NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
467356 | 2kv7 | 16770 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 21.142 9.059 -25.975 2 H2 GLY 1 2HT GLY 1 22.140 8.337 -27.144 3 H3 GLY 1 3HT GLY 1 22.815 9.335 -25.946 4 HA2 GLY 1 2HA GLY 1 23.232 7.020 -25.432 5 HA3 GLY 1 1HA GLY 1 22.167 7.753 -24.231 6 H SER 2 H SER 2 20.658 6.264 -23.664 7 HA SER 2 HA SER 2 19.182 4.856 -25.857 8 HB2 SER 2 2HB SER 2 20.239 3.684 -23.264 9 HB3 SER 2 1HB SER 2 19.294 2.812 -24.468 10 HG SER 2 HG SER 2 21.939 3.710 -24.545 11 H HIS 3 H HIS 3 17.136 3.775 -24.799 12 HA HIS 3 HA HIS 3 15.880 5.809 -22.997 13 HB2 HIS 3 2HB HIS 3 14.865 3.854 -25.071 14 HB3 HIS 3 1HB HIS 3 13.775 4.699 -23.973 15 HD1 HIS 3 1HD HIS 3 13.859 7.383 -24.089 16 HD2 HIS 3 2HD HIS 3 15.747 5.390 -27.227 17 HE1 HIS 3 1HE HIS 3 14.193 9.094 -25.927 18 H MET 4 H MET 4 16.137 5.053 -20.899 19 HA MET 4 HA MET 4 15.969 3.615 -19.033 20 HB2 MET 4 2HB MET 4 13.620 3.704 -20.370 21 HB3 MET 4 1HB MET 4 13.951 1.974 -20.483 22 HG2 MET 4 2HG MET 4 14.235 1.860 -18.039 23 HG3 MET 4 1HG MET 4 13.923 3.591 -17.917 24 HE1 MET 4 3HE MET 4 11.633 4.352 -19.748 25 HE2 MET 4 1HE MET 4 11.868 4.732 -18.036 26 HE3 MET 4 2HE MET 4 10.311 4.133 -18.604 27 H ALA 5 H ALA 5 18.185 2.810 -19.933 28 HA ALA 5 HA ALA 5 18.199 -0.101 -19.840 29 HB1 ALA 5 1HB ALA 5 18.206 1.396 -22.393 30 HB2 ALA 5 2HB ALA 5 17.753 -0.279 -22.075 31 HB3 ALA 5 3HB ALA 5 19.451 0.155 -22.263 32 H THR 6 H THR 6 19.587 0.977 -18.047 33 HA THR 6 HA THR 6 22.362 1.486 -19.078 34 HB THR 6 HB THR 6 22.537 2.817 -16.904 35 HG1 THR 6 1HG THR 6 20.455 3.412 -16.066 36 HG21 THR 6 3HG2 THR 6 21.715 4.741 -17.927 37 HG22 THR 6 1HG2 THR 6 20.306 3.909 -18.587 38 HG23 THR 6 2HG2 THR 6 21.896 3.659 -19.310 39 HA PRO 7 HA PRO 7 23.616 -2.032 -16.741 40 HB2 PRO 7 2HB PRO 7 26.152 -1.240 -15.987 41 HB3 PRO 7 1HB PRO 7 25.744 -1.855 -17.598 42 HG2 PRO 7 2HG PRO 7 26.145 0.941 -16.688 43 HG3 PRO 7 1HG PRO 7 26.560 0.182 -18.232 44 HD2 PRO 7 2HD PRO 7 24.408 1.814 -17.893 45 HD3 PRO 7 1HD PRO 7 24.471 0.515 -19.106 46 H TRP 8 H TRP 8 24.386 -2.620 -14.490 47 HA TRP 8 HA TRP 8 23.722 -2.519 -12.208 48 HB2 TRP 8 2HB TRP 8 25.103 -0.409 -11.246 49 HB3 TRP 8 1HB TRP 8 25.873 -1.906 -11.748 50 HD1 TRP 8 HD TRP 8 25.048 1.600 -13.139 51 HE1 TRP 8 1HE TRP 8 26.834 2.204 -14.898 52 HE3 TRP 8 3HE TRP 8 27.702 -2.760 -13.235 53 HZ2 TRP 8 2HZ TRP 8 29.091 0.996 -16.172 54 HZ3 TRP 8 3HZ TRP 8 29.668 -3.003 -14.724 55 HH2 TRP 8 HH TRP 8 30.366 -1.132 -16.192 56 H SER 9 H SER 9 21.662 -1.273 -13.768 57 HA SER 9 HA SER 9 20.960 1.169 -12.210 58 HB2 SER 9 2HB SER 9 20.613 1.589 -14.467 59 HB3 SER 9 1HB SER 9 20.226 -0.091 -14.825 60 HG SER 9 HG SER 9 18.296 0.879 -14.894 61 H GLY 10 H GLY 10 18.621 -1.130 -13.544 62 HA2 GLY 10 2HA GLY 10 16.957 -2.416 -12.527 63 HA3 GLY 10 1HA GLY 10 18.004 -2.502 -11.110 64 H TYR 11 H TYR 11 18.042 -0.485 -9.751 65 HA TYR 11 HA TYR 11 15.270 0.402 -9.269 66 HB2 TYR 11 2HB TYR 11 17.885 0.324 -7.850 67 HB3 TYR 11 1HB TYR 11 16.753 1.579 -7.348 68 HD1 TYR 11 2HD TYR 11 16.941 -2.094 -8.050 69 HD2 TYR 11 1HD TYR 11 15.001 1.062 -5.875 70 HE1 TYR 11 2HE TYR 11 15.641 -3.775 -6.769 71 HE2 TYR 11 1HE TYR 11 13.702 -0.619 -4.594 72 HH TYR 11 HH TYR 11 14.054 -3.112 -3.954 73 H LEU 12 H LEU 12 18.071 1.647 -10.863 74 HA LEU 12 HA LEU 12 17.856 4.439 -10.394 75 HB2 LEU 12 2HB LEU 12 18.906 2.613 -12.496 76 HB3 LEU 12 1HB LEU 12 18.708 4.304 -12.956 77 HG LEU 12 HG LEU 12 20.005 4.951 -10.910 78 HD11 LEU 12 1HD1 LEU 12 20.032 1.967 -10.631 79 HD12 LEU 12 2HD1 LEU 12 19.863 3.205 -9.386 80 HD13 LEU 12 3HD1 LEU 12 21.444 2.877 -10.095 81 HD21 LEU 12 3HD2 LEU 12 21.158 4.823 -13.050 82 HD22 LEU 12 1HD2 LEU 12 21.339 3.076 -12.889 83 HD23 LEU 12 2HD2 LEU 12 22.213 4.157 -11.804 84 H ASP 13 H ASP 13 15.873 2.292 -12.337 85 HA ASP 13 HA ASP 13 13.821 4.333 -12.686 86 HB2 ASP 13 2HB ASP 13 15.857 4.636 -14.389 87 HB3 ASP 13 1HB ASP 13 14.989 3.378 -15.270 88 H ASP 14 H ASP 14 15.144 1.227 -13.820 89 HA ASP 14 HA ASP 14 12.848 0.051 -14.942 90 HB2 ASP 14 2HB ASP 14 15.377 -0.794 -13.687 91 HB3 ASP 14 1HB ASP 14 14.114 -2.025 -13.692 92 H VAL 15 H VAL 15 13.934 -1.076 -11.812 93 HA VAL 15 HA VAL 15 11.496 -2.101 -10.897 94 HB VAL 15 HB VAL 15 13.721 -0.785 -9.317 95 HG11 VAL 15 1HG1 VAL 15 11.478 -2.654 -8.670 96 HG12 VAL 15 2HG1 VAL 15 12.079 -1.268 -7.760 97 HG13 VAL 15 3HG1 VAL 15 12.991 -2.778 -7.771 98 HG21 VAL 15 3HG2 VAL 15 15.077 -2.452 -10.004 99 HG22 VAL 15 1HG2 VAL 15 13.831 -2.951 -11.146 100 HG23 VAL 15 2HG2 VAL 15 13.887 -3.664 -9.535 101 H SER 16 H SER 16 12.817 1.164 -10.476 102 HA SER 16 HA SER 16 10.932 2.262 -8.703 103 HB2 SER 16 2HB SER 16 12.858 3.485 -9.282 104 HB3 SER 16 1HB SER 16 12.574 3.282 -11.008 105 HG SER 16 HG SER 16 12.029 5.397 -10.059 106 H ALA 17 H ALA 17 10.652 1.699 -12.204 107 HA ALA 17 HA ALA 17 8.214 3.207 -12.594 108 HB1 ALA 17 1HB ALA 17 9.021 0.754 -14.153 109 HB2 ALA 17 2HB ALA 17 9.991 2.224 -14.250 110 HB3 ALA 17 3HB ALA 17 8.300 2.248 -14.749 111 H LYS 18 H LYS 18 8.942 -0.118 -11.664 112 HA LYS 18 HA LYS 18 6.098 -0.918 -11.637 113 HB2 LYS 18 2HB LYS 18 8.675 -2.281 -10.777 114 HB3 LYS 18 1HB LYS 18 7.101 -3.072 -10.882 115 HG2 LYS 18 2HG LYS 18 8.024 -1.600 -13.300 116 HG3 LYS 18 1HG LYS 18 8.859 -3.106 -12.918 117 HD2 LYS 18 2HD LYS 18 6.874 -4.382 -13.063 118 HD3 LYS 18 1HD LYS 18 5.846 -2.953 -12.947 119 HE2 LYS 18 2HE LYS 18 7.222 -2.300 -15.178 120 HE3 LYS 18 1HE LYS 18 7.260 -4.069 -15.317 121 HZ1 LYS 18 3HZ LYS 18 4.806 -2.523 -14.684 122 HZ2 LYS 18 1HZ LYS 18 4.913 -4.176 -15.049 123 HZ3 LYS 18 2HZ LYS 18 5.218 -3.020 -16.256 124 H PHE 19 H PHE 19 8.547 0.289 -9.457 125 HA PHE 19 HA PHE 19 7.057 -0.452 -7.021 126 HB2 PHE 19 2HB PHE 19 9.692 0.667 -7.812 127 HB3 PHE 19 1HB PHE 19 9.072 1.216 -6.256 128 HD1 PHE 19 1HD PHE 19 9.174 -1.999 -8.195 129 HD2 PHE 19 2HD PHE 19 9.752 -0.034 -4.421 130 HE1 PHE 19 1HE PHE 19 9.819 -4.160 -7.170 131 HE2 PHE 19 2HE PHE 19 10.400 -2.197 -3.394 132 HZ PHE 19 HZ PHE 19 10.434 -4.260 -4.770 133 H ASP 20 H ASP 20 8.437 2.689 -8.047 134 HA ASP 20 HA ASP 20 6.673 4.309 -6.538 135 HB2 ASP 20 2HB ASP 20 8.150 4.811 -9.142 136 HB3 ASP 20 1HB ASP 20 7.425 6.081 -8.160 137 H THR 21 H THR 21 6.479 4.471 -10.093 138 HA THR 21 HA THR 21 3.795 5.273 -10.258 139 HB THR 21 HB THR 21 5.167 3.427 -12.221 140 HG1 THR 21 1HG THR 21 6.660 4.864 -12.411 141 HG21 THR 21 3HG2 THR 21 4.063 5.384 -13.684 142 HG22 THR 21 1HG2 THR 21 2.992 5.462 -12.285 143 HG23 THR 21 2HG2 THR 21 3.152 3.957 -13.191 144 H GLY 22 H GLY 22 5.043 1.918 -10.506 145 HA2 GLY 22 2HA GLY 22 2.605 0.572 -10.874 146 HA3 GLY 22 1HA GLY 22 3.990 -0.128 -10.045 147 H VAL 23 H VAL 23 4.220 0.549 -7.691 148 HA VAL 23 HA VAL 23 1.887 -0.182 -6.247 149 HB VAL 23 HB VAL 23 4.346 1.335 -5.337 150 HG11 VAL 23 1HG1 VAL 23 2.250 1.104 -3.807 151 HG12 VAL 23 2HG1 VAL 23 3.827 0.667 -3.150 152 HG13 VAL 23 3HG1 VAL 23 2.722 -0.592 -3.700 153 HG21 VAL 23 3HG2 VAL 23 4.273 -1.118 -6.588 154 HG22 VAL 23 1HG2 VAL 23 4.141 -1.576 -4.891 155 HG23 VAL 23 2HG2 VAL 23 5.516 -0.621 -5.441 156 H ASP 24 H ASP 24 3.282 3.091 -6.783 157 HA ASP 24 HA ASP 24 1.452 4.567 -5.184 158 HB2 ASP 24 2HB ASP 24 3.533 5.379 -6.374 159 HB3 ASP 24 1HB ASP 24 2.611 5.358 -7.877 160 H ASN 25 H ASN 25 1.179 3.335 -8.500 161 HA ASN 25 HA ASN 25 -1.340 4.568 -9.151 162 HB2 ASN 25 2HB ASN 25 0.251 3.568 -10.774 163 HB3 ASN 25 1HB ASN 25 -0.057 1.973 -10.087 164 HD21 ASN 25 1HD2 ASN 25 -0.930 3.877 -12.662 165 HD22 ASN 25 2HD2 ASN 25 -2.484 3.259 -12.959 166 H LEU 26 H LEU 26 -0.450 1.409 -7.737 167 HA LEU 26 HA LEU 26 -3.154 0.412 -7.494 168 HB2 LEU 26 2HB LEU 26 -0.468 -0.394 -6.929 169 HB3 LEU 26 1HB LEU 26 -1.400 -0.603 -5.451 170 HG LEU 26 HG LEU 26 -2.238 -1.650 -8.158 171 HD11 LEU 26 1HD1 LEU 26 -1.778 -3.862 -6.712 172 HD12 LEU 26 2HD1 LEU 26 -0.590 -2.793 -5.967 173 HD13 LEU 26 3HD1 LEU 26 -0.529 -3.106 -7.700 174 HD21 LEU 26 3HD2 LEU 26 -4.241 -1.916 -7.171 175 HD22 LEU 26 1HD2 LEU 26 -3.608 -1.307 -5.643 176 HD23 LEU 26 2HD2 LEU 26 -3.484 -3.024 -6.026 177 H GLN 27 H GLN 27 -1.121 2.481 -5.491 178 HA GLN 27 HA GLN 27 -2.781 2.322 -3.105 179 HB2 GLN 27 2HB GLN 27 -0.247 3.078 -3.668 180 HB3 GLN 27 1HB GLN 27 -1.022 4.662 -3.645 181 HG2 GLN 27 2HG GLN 27 -1.897 4.254 -1.409 182 HG3 GLN 27 1HG GLN 27 -1.264 2.607 -1.430 183 HE21 GLN 27 1HE2 GLN 27 0.273 5.708 -2.445 184 HE22 GLN 27 2HE2 GLN 27 1.611 5.552 -1.412 185 H THR 28 H THR 28 -2.590 4.500 -5.909 186 HA THR 28 HA THR 28 -4.563 6.356 -4.755 187 HB THR 28 HB THR 28 -2.591 6.977 -6.227 188 HG1 THR 28 1HG THR 28 -3.710 8.653 -6.827 189 HG21 THR 28 3HG2 THR 28 -4.344 5.720 -8.360 190 HG22 THR 28 1HG2 THR 28 -2.744 5.169 -7.863 191 HG23 THR 28 2HG2 THR 28 -2.929 6.720 -8.679 192 H GLN 29 H GLN 29 -4.532 3.601 -6.940 193 HA GLN 29 HA GLN 29 -7.007 4.045 -8.286 194 HB2 GLN 29 2HB GLN 29 -5.026 2.017 -8.030 195 HB3 GLN 29 1HB GLN 29 -6.580 1.255 -7.711 196 HG2 GLN 29 2HG GLN 29 -5.813 2.860 -10.165 197 HG3 GLN 29 1HG GLN 29 -6.161 1.134 -10.094 198 HE21 GLN 29 1HE2 GLN 29 -8.504 1.605 -8.195 199 HE22 GLN 29 2HE2 GLN 29 -9.735 2.235 -9.174 200 H VAL 30 H VAL 30 -6.343 2.231 -5.245 201 HA VAL 30 HA VAL 30 -9.111 1.615 -4.762 202 HB VAL 30 HB VAL 30 -8.135 1.684 -2.243 203 HG11 VAL 30 1HG1 VAL 30 -7.044 -0.636 -3.608 204 HG12 VAL 30 2HG1 VAL 30 -8.654 -0.239 -4.208 205 HG13 VAL 30 3HG1 VAL 30 -8.402 -0.529 -2.488 206 HG21 VAL 30 3HG2 VAL 30 -5.663 0.948 -3.778 207 HG22 VAL 30 1HG2 VAL 30 -5.830 1.388 -2.078 208 HG23 VAL 30 2HG2 VAL 30 -5.943 2.630 -3.326 209 H THR 31 H THR 31 -7.136 4.462 -4.161 210 HA THR 31 HA THR 31 -8.886 5.835 -2.352 211 HB THR 31 HB THR 31 -7.318 7.138 -4.586 212 HG1 THR 31 1HG THR 31 -5.519 6.919 -3.088 213 HG21 THR 31 3HG2 THR 31 -8.600 8.568 -3.049 214 HG22 THR 31 1HG2 THR 31 -6.868 8.798 -2.814 215 HG23 THR 31 2HG2 THR 31 -7.791 7.821 -1.672 216 H GLU 32 H GLU 32 -8.677 5.759 -5.924 217 HA GLU 32 HA GLU 32 -11.008 7.368 -6.460 218 HB2 GLU 32 2HB GLU 32 -9.816 5.021 -7.996 219 HB3 GLU 32 1HB GLU 32 -10.884 6.251 -8.667 220 HG2 GLU 32 2HG GLU 32 -8.137 6.765 -7.502 221 HG3 GLU 32 1HG GLU 32 -8.524 6.704 -9.219 222 H ALA 33 H ALA 33 -10.437 3.866 -6.250 223 HA ALA 33 HA ALA 33 -13.057 2.865 -6.498 224 HB1 ALA 33 1HB ALA 33 -10.790 1.664 -6.285 225 HB2 ALA 33 2HB ALA 33 -12.123 0.916 -5.405 226 HB3 ALA 33 3HB ALA 33 -10.941 1.896 -4.547 227 H LEU 34 H LEU 34 -11.519 4.582 -3.848 228 HA LEU 34 HA LEU 34 -13.466 3.912 -1.794 229 HB2 LEU 34 2HB LEU 34 -10.995 4.872 -1.733 230 HB3 LEU 34 1HB LEU 34 -11.814 6.430 -1.849 231 HG LEU 34 HG LEU 34 -13.300 5.543 0.092 232 HD11 LEU 34 1HD1 LEU 34 -12.333 3.200 -0.167 233 HD12 LEU 34 2HD1 LEU 34 -12.343 3.838 1.477 234 HD13 LEU 34 3HD1 LEU 34 -10.847 3.829 0.543 235 HD21 LEU 34 3HD2 LEU 34 -10.470 6.517 0.191 236 HD22 LEU 34 1HD2 LEU 34 -11.247 6.058 1.705 237 HD23 LEU 34 2HD2 LEU 34 -11.949 7.328 0.703 238 H ASP 35 H ASP 35 -12.817 6.950 -3.579 239 HA ASP 35 HA ASP 35 -15.255 8.269 -2.858 240 HB2 ASP 35 2HB ASP 35 -13.451 8.512 -5.293 241 HB3 ASP 35 1HB ASP 35 -14.652 9.711 -4.809 242 H LYS 36 H LYS 36 -14.517 5.804 -5.219 243 HA LYS 36 HA LYS 36 -16.955 6.182 -6.802 244 HB2 LYS 36 2HB LYS 36 -14.433 4.946 -7.047 245 HB3 LYS 36 1HB LYS 36 -15.585 3.627 -7.055 246 HG2 LYS 36 2HG LYS 36 -16.197 4.122 -9.164 247 HG3 LYS 36 1HG LYS 36 -16.585 5.778 -8.698 248 HD2 LYS 36 2HD LYS 36 -14.836 5.738 -10.445 249 HD3 LYS 36 1HD LYS 36 -14.211 6.411 -8.940 250 HE2 LYS 36 2HE LYS 36 -12.690 4.736 -8.717 251 HE3 LYS 36 1HE LYS 36 -13.899 3.491 -9.087 252 HZ1 LYS 36 3HZ LYS 36 -12.335 3.550 -10.878 253 HZ2 LYS 36 1HZ LYS 36 -12.476 5.234 -11.028 254 HZ3 LYS 36 2HZ LYS 36 -13.786 4.233 -11.438 255 H LEU 37 H LEU 37 -15.730 3.945 -4.301 256 HA LEU 37 HA LEU 37 -17.950 2.143 -4.265 257 HB2 LEU 37 2HB LEU 37 -15.688 1.887 -3.156 258 HB3 LEU 37 1HB LEU 37 -16.223 3.042 -1.937 259 HG LEU 37 HG LEU 37 -17.856 0.587 -2.571 260 HD11 LEU 37 1HD1 LEU 37 -16.695 -0.590 -0.769 261 HD12 LEU 37 2HD1 LEU 37 -15.640 0.799 -0.511 262 HD13 LEU 37 3HD1 LEU 37 -15.534 -0.121 -2.011 263 HD21 LEU 37 3HD2 LEU 37 -17.719 2.681 -0.440 264 HD22 LEU 37 1HD2 LEU 37 -18.201 1.055 0.042 265 HD23 LEU 37 2HD2 LEU 37 -19.130 1.924 -1.178 266 H ALA 38 H ALA 38 -17.230 4.916 -2.130 267 HA ALA 38 HA ALA 38 -19.781 4.969 -0.824 268 HB1 ALA 38 1HB ALA 38 -19.020 7.194 -0.123 269 HB2 ALA 38 2HB ALA 38 -17.827 7.215 -1.423 270 HB3 ALA 38 3HB ALA 38 -17.660 6.070 -0.091 271 H ALA 39 H ALA 39 -18.725 6.003 -3.978 272 HA ALA 39 HA ALA 39 -20.633 8.009 -4.647 273 HB1 ALA 39 1HB ALA 39 -19.961 5.970 -6.697 274 HB2 ALA 39 2HB ALA 39 -18.570 6.648 -5.855 275 HB3 ALA 39 3HB ALA 39 -19.677 7.711 -6.721 276 H LYS 40 H LYS 40 -20.737 4.563 -5.513 277 HA LYS 40 HA LYS 40 -23.651 4.638 -5.925 278 HB2 LYS 40 2HB LYS 40 -21.317 3.022 -6.620 279 HB3 LYS 40 1HB LYS 40 -22.647 2.007 -6.067 280 HG2 LYS 40 2HG LYS 40 -22.808 2.336 -8.484 281 HG3 LYS 40 1HG LYS 40 -24.154 3.149 -7.684 282 HD2 LYS 40 2HD LYS 40 -23.111 5.295 -7.915 283 HD3 LYS 40 1HD LYS 40 -21.582 4.568 -8.410 284 HE2 LYS 40 2HE LYS 40 -23.239 3.517 -10.299 285 HE3 LYS 40 1HE LYS 40 -24.020 5.084 -10.016 286 HZ1 LYS 40 3HZ LYS 40 -21.935 6.195 -10.315 287 HZ2 LYS 40 1HZ LYS 40 -22.194 5.198 -11.662 288 HZ3 LYS 40 2HZ LYS 40 -21.103 4.719 -10.451 289 HA PRO 41 HA PRO 41 -24.658 3.391 -1.787 290 HB2 PRO 41 2HB PRO 41 -26.803 1.696 -2.400 291 HB3 PRO 41 1HB PRO 41 -26.918 3.449 -2.159 292 HG2 PRO 41 2HG PRO 41 -26.843 1.888 -4.673 293 HG3 PRO 41 1HG PRO 41 -27.666 3.411 -4.309 294 HD2 PRO 41 2HD PRO 41 -25.406 3.279 -5.795 295 HD3 PRO 41 1HD PRO 41 -25.812 4.680 -4.777 296 H SER 42 H SER 42 -25.607 0.863 -0.980 297 HA SER 42 HA SER 42 -23.301 -0.768 -0.876 298 HB2 SER 42 2HB SER 42 -25.798 -0.769 0.207 299 HB3 SER 42 1HB SER 42 -25.954 -2.111 -0.924 300 HG SER 42 HG SER 42 -24.959 -3.187 0.584 301 H ASP 43 H ASP 43 -22.375 -0.957 -3.003 302 HA ASP 43 HA ASP 43 -24.006 -2.478 -4.998 303 HB2 ASP 43 2HB ASP 43 -21.960 -0.316 -5.074 304 HB3 ASP 43 1HB ASP 43 -21.954 -1.465 -6.413 305 HA PRO 44 HA PRO 44 -21.147 -5.835 -4.734 306 HB2 PRO 44 2HB PRO 44 -21.451 -6.858 -7.262 307 HB3 PRO 44 1HB PRO 44 -22.676 -7.043 -5.995 308 HG2 PRO 44 2HG PRO 44 -22.628 -5.255 -8.336 309 HG3 PRO 44 1HG PRO 44 -24.004 -6.001 -7.514 310 HD2 PRO 44 2HD PRO 44 -23.214 -3.361 -7.250 311 HD3 PRO 44 1HD PRO 44 -24.262 -4.241 -6.120 312 H ALA 45 H ALA 45 -21.089 -4.010 -7.744 313 HA ALA 45 HA ALA 45 -18.454 -4.837 -8.566 314 HB1 ALA 45 1HB ALA 45 -18.967 -2.794 -10.115 315 HB2 ALA 45 2HB ALA 45 -20.538 -2.822 -9.310 316 HB3 ALA 45 3HB ALA 45 -19.981 -4.234 -10.210 317 H LEU 46 H LEU 46 -19.620 -1.606 -7.478 318 HA LEU 46 HA LEU 46 -17.182 -0.245 -7.376 319 HB2 LEU 46 2HB LEU 46 -19.832 -0.125 -6.126 320 HB3 LEU 46 1HB LEU 46 -18.585 0.581 -5.109 321 HG LEU 46 HG LEU 46 -19.486 2.333 -6.504 322 HD11 LEU 46 1HD1 LEU 46 -16.942 2.132 -6.202 323 HD12 LEU 46 2HD1 LEU 46 -17.521 3.184 -7.495 324 HD13 LEU 46 3HD1 LEU 46 -16.911 1.578 -7.876 325 HD21 LEU 46 3HD2 LEU 46 -20.523 1.284 -8.311 326 HD22 LEU 46 1HD2 LEU 46 -19.102 0.306 -8.686 327 HD23 LEU 46 2HD2 LEU 46 -19.115 2.028 -9.070 328 H LEU 47 H LEU 47 -18.672 -1.856 -4.551 329 HA LEU 47 HA LEU 47 -16.475 -1.707 -2.770 330 HB2 LEU 47 2HB LEU 47 -19.038 -2.656 -2.775 331 HB3 LEU 47 1HB LEU 47 -18.130 -4.167 -2.750 332 HG LEU 47 HG LEU 47 -16.801 -2.579 -0.888 333 HD11 LEU 47 1HD1 LEU 47 -18.838 -1.037 -1.125 334 HD12 LEU 47 2HD1 LEU 47 -18.446 -1.565 0.511 335 HD13 LEU 47 3HD1 LEU 47 -19.770 -2.328 -0.370 336 HD21 LEU 47 3HD2 LEU 47 -17.822 -4.122 0.751 337 HD22 LEU 47 1HD2 LEU 47 -17.329 -4.988 -0.705 338 HD23 LEU 47 2HD2 LEU 47 -19.029 -4.595 -0.445 339 H ALA 48 H ALA 48 -17.401 -4.386 -4.953 340 HA ALA 48 HA ALA 48 -15.215 -6.138 -4.482 341 HB1 ALA 48 1HB ALA 48 -17.151 -6.788 -5.772 342 HB2 ALA 48 2HB ALA 48 -15.765 -6.855 -6.860 343 HB3 ALA 48 3HB ALA 48 -16.876 -5.487 -6.930 344 H ALA 49 H ALA 49 -15.498 -3.238 -6.429 345 HA ALA 49 HA ALA 49 -13.114 -3.553 -7.995 346 HB1 ALA 49 1HB ALA 49 -13.639 -1.368 -8.681 347 HB2 ALA 49 2HB ALA 49 -14.298 -0.935 -7.103 348 HB3 ALA 49 3HB ALA 49 -15.202 -2.003 -8.174 349 H TYR 50 H TYR 50 -13.690 -1.368 -5.157 350 HA TYR 50 HA TYR 50 -10.978 -0.651 -4.740 351 HB2 TYR 50 2HB TYR 50 -13.009 0.322 -3.654 352 HB3 TYR 50 1HB TYR 50 -13.144 -1.131 -2.670 353 HD1 TYR 50 1HD TYR 50 -10.940 -1.792 -1.331 354 HD2 TYR 50 2HD TYR 50 -11.820 2.128 -2.831 355 HE1 TYR 50 1HE TYR 50 -9.348 -0.811 0.285 356 HE2 TYR 50 2HE TYR 50 -10.228 3.111 -1.223 357 HH TYR 50 HH TYR 50 -8.005 2.021 0.064 358 H GLN 51 H GLN 51 -12.779 -3.520 -3.621 359 HA GLN 51 HA GLN 51 -10.662 -4.559 -1.940 360 HB2 GLN 51 2HB GLN 51 -13.057 -5.769 -3.355 361 HB3 GLN 51 1HB GLN 51 -12.044 -6.675 -2.230 362 HG2 GLN 51 2HG GLN 51 -12.493 -4.644 -0.626 363 HG3 GLN 51 1HG GLN 51 -13.880 -4.363 -1.679 364 HE21 GLN 51 1HE2 GLN 51 -15.479 -6.169 -1.875 365 HE22 GLN 51 2HE2 GLN 51 -15.612 -7.309 -0.625 366 H SER 52 H SER 52 -11.730 -5.280 -5.282 367 HA SER 52 HA SER 52 -9.892 -7.244 -6.043 368 HB2 SER 52 2HB SER 52 -11.791 -6.276 -7.373 369 HB3 SER 52 1HB SER 52 -10.824 -4.827 -7.640 370 HG SER 52 HG SER 52 -10.697 -6.416 -9.344 371 H LYS 53 H LYS 53 -9.470 -3.713 -6.003 372 HA LYS 53 HA LYS 53 -6.718 -3.771 -6.951 373 HB2 LYS 53 2HB LYS 53 -8.793 -1.895 -6.406 374 HB3 LYS 53 1HB LYS 53 -7.433 -1.440 -5.382 375 HG2 LYS 53 2HG LYS 53 -6.352 -0.578 -7.148 376 HG3 LYS 53 1HG LYS 53 -6.415 -2.133 -7.975 377 HD2 LYS 53 2HD LYS 53 -8.936 -0.545 -7.919 378 HD3 LYS 53 1HD LYS 53 -7.634 0.054 -8.949 379 HE2 LYS 53 2HE LYS 53 -7.640 -1.857 -10.307 380 HE3 LYS 53 1HE LYS 53 -8.396 -2.860 -9.052 381 HZ1 LYS 53 3HZ LYS 53 -10.423 -1.659 -9.265 382 HZ2 LYS 53 1HZ LYS 53 -9.956 -2.114 -10.831 383 HZ3 LYS 53 2HZ LYS 53 -9.720 -0.515 -10.307 384 H LEU 54 H LEU 54 -8.362 -3.828 -3.842 385 HA LEU 54 HA LEU 54 -6.145 -3.308 -2.114 386 HB2 LEU 54 2HB LEU 54 -8.738 -3.512 -1.756 387 HB3 LEU 54 1HB LEU 54 -8.393 -5.219 -1.489 388 HG LEU 54 HG LEU 54 -6.574 -4.368 0.156 389 HD11 LEU 54 1HD1 LEU 54 -7.973 -1.896 -0.636 390 HD12 LEU 54 2HD1 LEU 54 -6.383 -2.103 0.100 391 HD13 LEU 54 3HD1 LEU 54 -7.830 -2.112 1.109 392 HD21 LEU 54 3HD2 LEU 54 -9.546 -4.450 0.494 393 HD22 LEU 54 1HD2 LEU 54 -8.577 -3.868 1.848 394 HD23 LEU 54 2HD2 LEU 54 -8.310 -5.489 1.204 395 H SER 55 H SER 55 -7.666 -6.492 -2.727 396 HA SER 55 HA SER 55 -5.716 -8.166 -1.645 397 HB2 SER 55 2HB SER 55 -7.398 -8.525 -4.144 398 HB3 SER 55 1HB SER 55 -6.624 -9.838 -3.262 399 HG SER 55 HG SER 55 -8.460 -9.797 -2.208 400 H GLU 56 H GLU 56 -5.714 -6.630 -4.845 401 HA GLU 56 HA GLU 56 -3.320 -8.005 -5.793 402 HB2 GLU 56 2HB GLU 56 -5.221 -6.936 -7.142 403 HB3 GLU 56 1HB GLU 56 -4.510 -5.376 -6.723 404 HG2 GLU 56 2HG GLU 56 -3.450 -5.800 -8.747 405 HG3 GLU 56 1HG GLU 56 -2.291 -6.497 -7.614 406 H TYR 57 H TYR 57 -4.063 -4.972 -4.155 407 HA TYR 57 HA TYR 57 -1.436 -3.787 -4.454 408 HB2 TYR 57 2HB TYR 57 -3.535 -2.542 -4.083 409 HB3 TYR 57 1HB TYR 57 -3.700 -3.294 -2.502 410 HD1 TYR 57 2HD TYR 57 -0.598 -2.004 -4.173 411 HD2 TYR 57 1HD TYR 57 -3.457 -1.541 -1.009 412 HE1 TYR 57 2HE TYR 57 0.840 -0.282 -3.117 413 HE2 TYR 57 1HE TYR 57 -2.021 0.180 0.052 414 HH TYR 57 HH TYR 57 1.109 0.599 -0.580 415 H ASN 58 H ASN 58 -3.095 -5.205 -1.593 416 HA ASN 58 HA ASN 58 -0.957 -5.124 0.227 417 HB2 ASN 58 2HB ASN 58 -3.395 -6.777 -0.230 418 HB3 ASN 58 1HB ASN 58 -2.208 -7.443 0.893 419 HD21 ASN 58 1HD2 ASN 58 -4.375 -4.676 0.335 420 HD22 ASN 58 2HD2 ASN 58 -4.308 -4.087 1.925 421 H LEU 59 H LEU 59 -1.715 -7.590 -2.232 422 HA LEU 59 HA LEU 59 0.540 -9.318 -1.618 423 HB2 LEU 59 2HB LEU 59 -1.697 -9.755 -2.898 424 HB3 LEU 59 1HB LEU 59 -0.875 -9.040 -4.282 425 HG LEU 59 HG LEU 59 -0.675 -11.511 -4.273 426 HD11 LEU 59 1HD1 LEU 59 2.079 -10.577 -3.603 427 HD12 LEU 59 2HD1 LEU 59 1.236 -9.761 -4.919 428 HD13 LEU 59 3HD1 LEU 59 1.512 -11.501 -4.994 429 HD21 LEU 59 3HD2 LEU 59 1.139 -11.332 -1.889 430 HD22 LEU 59 1HD2 LEU 59 0.248 -12.721 -2.511 431 HD23 LEU 59 2HD2 LEU 59 -0.602 -11.450 -1.631 432 H TYR 60 H TYR 60 -0.087 -6.577 -3.742 433 HA TYR 60 HA TYR 60 2.114 -6.527 -5.476 434 HB2 TYR 60 2HB TYR 60 0.067 -4.874 -4.702 435 HB3 TYR 60 1HB TYR 60 1.457 -3.990 -4.098 436 HD1 TYR 60 2HD TYR 60 0.578 -5.966 -7.169 437 HD2 TYR 60 1HD TYR 60 2.290 -2.393 -5.521 438 HE1 TYR 60 2HE TYR 60 0.992 -5.109 -9.454 439 HE2 TYR 60 1HE TYR 60 2.701 -1.536 -7.801 440 HH TYR 60 HH TYR 60 3.058 -2.823 -10.216 441 H ARG 61 H ARG 61 1.946 -4.975 -2.253 442 HA ARG 61 HA ARG 61 4.522 -4.023 -1.925 443 HB2 ARG 61 2HB ARG 61 2.479 -5.278 -0.131 444 HB3 ARG 61 1HB ARG 61 4.054 -4.871 0.551 445 HG2 ARG 61 2HG ARG 61 3.653 -2.636 0.456 446 HG3 ARG 61 1HG ARG 61 2.895 -2.747 -1.133 447 HD2 ARG 61 2HD ARG 61 1.227 -2.041 0.538 448 HD3 ARG 61 1HD ARG 61 0.837 -3.677 -0.031 449 HE ARG 61 HE ARG 61 1.387 -4.496 2.112 450 HH11 ARG 61 1HH2 ARG 61 2.727 -1.316 1.637 451 HH12 ARG 61 2HH2 ARG 61 3.293 -1.192 3.266 452 HH21 ARG 61 1HH1 ARG 61 2.131 -4.309 4.220 453 HH22 ARG 61 2HH1 ARG 61 2.959 -2.872 4.719 454 H ASN 62 H ASN 62 3.500 -7.412 -1.392 455 HA ASN 62 HA ASN 62 6.187 -8.283 -0.630 456 HB2 ASN 62 2HB ASN 62 3.636 -9.734 -1.413 457 HB3 ASN 62 1HB ASN 62 5.062 -10.521 -0.735 458 HD21 ASN 62 1HD2 ASN 62 2.104 -9.168 0.136 459 HD22 ASN 62 2HD2 ASN 62 2.437 -8.847 1.770 460 H ALA 63 H ALA 63 4.073 -8.923 -3.463 461 HA ALA 63 HA ALA 63 5.845 -10.385 -5.065 462 HB1 ALA 63 1HB ALA 63 3.546 -8.534 -5.468 463 HB2 ALA 63 2HB ALA 63 3.725 -10.220 -5.949 464 HB3 ALA 63 3HB ALA 63 4.489 -8.946 -6.899 465 H GLN 64 H GLN 64 5.271 -6.879 -5.574 466 HA GLN 64 HA GLN 64 7.420 -6.327 -7.281 467 HB2 GLN 64 2HB GLN 64 5.804 -4.840 -5.265 468 HB3 GLN 64 1HB GLN 64 7.253 -4.037 -5.867 469 HG2 GLN 64 2HG GLN 64 5.064 -5.199 -7.620 470 HG3 GLN 64 1HG GLN 64 5.244 -3.488 -7.232 471 HE21 GLN 64 1HE2 GLN 64 6.498 -6.106 -9.203 472 HE22 GLN 64 2HE2 GLN 64 7.626 -5.173 -10.062 473 H SER 65 H SER 65 7.483 -6.687 -3.763 474 HA SER 65 HA SER 65 10.208 -5.708 -3.425 475 HB2 SER 65 2HB SER 65 8.470 -5.698 -1.661 476 HB3 SER 65 1HB SER 65 8.422 -7.457 -1.698 477 HG SER 65 HG SER 65 9.807 -6.425 -0.055 478 H ASN 66 H ASN 66 8.706 -8.848 -4.022 479 HA ASN 66 HA ASN 66 11.240 -10.310 -3.602 480 HB2 ASN 66 2HB ASN 66 8.804 -11.020 -3.044 481 HB3 ASN 66 1HB ASN 66 8.665 -11.367 -4.768 482 HD21 ASN 66 1HD2 ASN 66 9.388 -13.405 -5.421 483 HD22 ASN 66 2HD2 ASN 66 10.393 -14.416 -4.501 484 H THR 67 H THR 67 9.414 -8.911 -6.235 485 HA THR 67 HA THR 67 10.782 -10.480 -8.319 486 HB THR 67 HB THR 67 9.404 -9.011 -9.790 487 HG1 THR 67 1HG THR 67 8.062 -7.498 -8.782 488 HG21 THR 67 3HG2 THR 67 8.049 -10.275 -7.399 489 HG22 THR 67 1HG2 THR 67 8.337 -11.004 -8.979 490 HG23 THR 67 2HG2 THR 67 7.168 -9.694 -8.811 491 H ALA 68 H ALA 68 10.845 -7.137 -7.051 492 HA ALA 68 HA ALA 68 12.659 -6.012 -8.934 493 HB1 ALA 68 1HB ALA 68 13.208 -4.694 -6.623 494 HB2 ALA 68 2HB ALA 68 11.702 -5.492 -6.174 495 HB3 ALA 68 3HB ALA 68 11.747 -4.415 -7.569 496 H LYS 69 H LYS 69 13.269 -7.868 -5.962 497 HA LYS 69 HA LYS 69 16.062 -7.491 -5.703 498 HB2 LYS 69 2HB LYS 69 14.097 -8.895 -4.443 499 HB3 LYS 69 1HB LYS 69 14.971 -10.211 -5.229 500 HG2 LYS 69 2HG LYS 69 17.037 -9.579 -4.175 501 HG3 LYS 69 1HG LYS 69 16.339 -8.073 -3.578 502 HD2 LYS 69 2HD LYS 69 14.705 -9.441 -2.242 503 HD3 LYS 69 1HD LYS 69 15.595 -10.885 -2.727 504 HE2 LYS 69 2HE LYS 69 17.690 -9.692 -1.786 505 HE3 LYS 69 1HE LYS 69 16.540 -8.604 -0.982 506 HZ1 LYS 69 3HZ LYS 69 16.974 -10.479 0.444 507 HZ2 LYS 69 1HZ LYS 69 16.593 -11.570 -0.796 508 HZ3 LYS 69 2HZ LYS 69 15.379 -10.585 -0.133 509 H ALA 70 H ALA 70 14.461 -10.287 -7.290 510 HA ALA 70 HA ALA 70 16.823 -11.350 -8.492 511 HB1 ALA 70 1HB ALA 70 14.923 -12.282 -10.093 512 HB2 ALA 70 2HB ALA 70 13.855 -11.536 -8.904 513 HB3 ALA 70 3HB ALA 70 14.989 -12.791 -8.405 514 H PHE 71 H PHE 71 14.579 -8.836 -9.525 515 HA PHE 71 HA PHE 71 15.285 -8.652 -12.279 516 HB2 PHE 71 2HB PHE 71 13.598 -7.401 -10.479 517 HB3 PHE 71 1HB PHE 71 14.743 -6.120 -10.873 518 HD1 PHE 71 2HD PHE 71 15.139 -5.512 -13.290 519 HD2 PHE 71 1HD PHE 71 11.969 -8.133 -12.055 520 HE1 PHE 71 2HE PHE 71 14.005 -5.163 -15.468 521 HE2 PHE 71 1HE PHE 71 10.833 -7.785 -14.233 522 HZ PHE 71 HZ PHE 71 11.851 -6.300 -15.939 523 H LYS 72 H LYS 72 16.449 -6.545 -9.611 524 HA LYS 72 HA LYS 72 18.537 -5.304 -11.111 525 HB2 LYS 72 2HB LYS 72 19.338 -4.641 -8.859 526 HB3 LYS 72 1HB LYS 72 17.588 -4.470 -8.989 527 HG2 LYS 72 2HG LYS 72 17.219 -6.523 -7.785 528 HG3 LYS 72 1HG LYS 72 18.932 -6.932 -7.846 529 HD2 LYS 72 2HD LYS 72 19.121 -4.526 -6.658 530 HD3 LYS 72 1HD LYS 72 17.511 -4.985 -6.100 531 HE2 LYS 72 2HE LYS 72 18.785 -5.992 -4.436 532 HE3 LYS 72 1HE LYS 72 18.786 -7.313 -5.623 533 HZ1 LYS 72 3HZ LYS 72 20.826 -6.523 -6.539 534 HZ2 LYS 72 1HZ LYS 72 21.046 -6.658 -4.863 535 HZ3 LYS 72 2HZ LYS 72 20.801 -5.131 -5.565 536 H ASP 73 H ASP 73 18.391 -8.395 -9.460 537 HA ASP 73 HA ASP 73 21.231 -8.869 -9.241 538 HB2 ASP 73 2HB ASP 73 19.427 -10.029 -7.976 539 HB3 ASP 73 1HB ASP 73 18.895 -10.795 -9.473 540 H ILE 74 H ILE 74 18.799 -9.962 -11.641 541 HA ILE 74 HA ILE 74 20.393 -11.500 -13.346 542 HB ILE 74 HB ILE 74 18.179 -9.516 -13.967 543 HG12 ILE 74 2HG1 ILE 74 17.886 -12.501 -13.842 544 HG13 ILE 74 1HG1 ILE 74 17.937 -11.586 -12.336 545 HG21 ILE 74 1HG2 ILE 74 19.451 -11.699 -15.632 546 HG22 ILE 74 2HG2 ILE 74 19.209 -10.006 -16.064 547 HG23 ILE 74 3HG2 ILE 74 17.825 -11.095 -15.957 548 HD11 ILE 74 3HD1 ILE 74 15.956 -10.461 -12.790 549 HD12 ILE 74 1HD1 ILE 74 15.631 -12.012 -13.563 550 HD13 ILE 74 2HD1 ILE 74 16.141 -10.632 -14.536 551 H ASP 75 H ASP 75 20.065 -7.944 -13.330 552 HA ASP 75 HA ASP 75 21.624 -7.336 -15.627 553 HB2 ASP 75 2HB ASP 75 20.982 -5.995 -13.009 554 HB3 ASP 75 1HB ASP 75 22.094 -5.219 -14.136 555 H ALA 76 H ALA 76 22.581 -8.020 -12.283 556 HA ALA 76 HA ALA 76 25.304 -7.294 -12.341 557 HB1 ALA 76 1HB ALA 76 25.315 -8.391 -10.326 558 HB2 ALA 76 2HB ALA 76 24.540 -9.828 -10.992 559 HB3 ALA 76 3HB ALA 76 23.571 -8.411 -10.588 560 H ALA 77 H ALA 77 23.704 -9.986 -13.918 561 HA ALA 77 HA ALA 77 26.254 -11.400 -14.437 562 HB1 ALA 77 1HB ALA 77 23.982 -12.442 -13.851 563 HB2 ALA 77 2HB ALA 77 24.809 -13.126 -15.252 564 HB3 ALA 77 3HB ALA 77 23.476 -11.994 -15.480 565 H ILE 78 H ILE 78 24.084 -9.146 -16.001 566 HA ILE 78 HA ILE 78 24.881 -9.733 -18.733 567 HB ILE 78 HB ILE 78 23.650 -7.270 -17.455 568 HG12 ILE 78 2HG1 ILE 78 22.314 -9.615 -18.842 569 HG13 ILE 78 1HG1 ILE 78 22.413 -9.434 -17.090 570 HG21 ILE 78 1HG2 ILE 78 23.994 -8.202 -20.302 571 HG22 ILE 78 2HG2 ILE 78 24.364 -6.622 -19.610 572 HG23 ILE 78 3HG2 ILE 78 22.686 -7.107 -19.856 573 HD11 ILE 78 3HD1 ILE 78 20.351 -8.449 -17.489 574 HD12 ILE 78 1HD1 ILE 78 20.831 -7.845 -19.075 575 HD13 ILE 78 2HD1 ILE 78 21.402 -7.039 -17.615 576 H ILE 79 H ILE 79 26.539 -8.248 -16.163 577 HA ILE 79 HA ILE 79 28.206 -6.615 -18.042 578 HB ILE 79 HB ILE 79 27.806 -6.496 -15.031 579 HG12 ILE 79 2HG1 ILE 79 26.856 -4.643 -17.245 580 HG13 ILE 79 1HG1 ILE 79 25.836 -5.805 -16.398 581 HG21 ILE 79 1HG2 ILE 79 29.476 -4.967 -14.921 582 HG22 ILE 79 2HG2 ILE 79 28.961 -4.171 -16.408 583 HG23 ILE 79 3HG2 ILE 79 29.989 -5.601 -16.485 584 HD11 ILE 79 3HD1 ILE 79 27.182 -4.299 -14.399 585 HD12 ILE 79 1HD1 ILE 79 25.464 -4.266 -14.800 586 HD13 ILE 79 2HD1 ILE 79 26.575 -3.145 -15.586 587 H GLN 80 H GLN 80 28.335 -8.943 -15.343 588 HA GLN 80 HA GLN 80 31.255 -9.296 -15.647 589 HB2 GLN 80 2HB GLN 80 29.058 -10.309 -13.846 590 HB3 GLN 80 1HB GLN 80 30.647 -11.078 -13.825 591 HG2 GLN 80 2HG GLN 80 31.682 -8.849 -13.404 592 HG3 GLN 80 1HG GLN 80 30.066 -8.145 -13.318 593 HE21 GLN 80 1HE2 GLN 80 31.514 -11.166 -11.952 594 HE22 GLN 80 2HE2 GLN 80 31.001 -10.861 -10.362 595 H ASN 81 H ASN 81 28.241 -10.933 -16.446 596 HA ASN 81 HA ASN 81 29.775 -13.168 -17.734 597 HB2 ASN 81 2HB ASN 81 27.217 -12.881 -16.247 598 HB3 ASN 81 1HB ASN 81 27.184 -13.992 -17.616 599 HD21 ASN 81 1HD2 ASN 81 29.442 -15.388 -17.623 600 HD22 ASN 81 2HD2 ASN 81 29.796 -16.100 -16.123 601 H PHE 82 H PHE 82 28.104 -10.328 -18.440 602 HA PHE 82 HA PHE 82 27.264 -9.395 -20.391 603 HB2 PHE 82 2HB PHE 82 28.470 -9.926 -22.255 604 HB3 PHE 82 1HB PHE 82 29.413 -10.859 -21.109 605 HD1 PHE 82 2HD PHE 82 26.372 -11.242 -23.303 606 HD2 PHE 82 1HD PHE 82 29.873 -13.087 -21.627 607 HE1 PHE 82 2HE PHE 82 25.927 -13.291 -24.625 608 HE2 PHE 82 1HE PHE 82 29.432 -15.129 -22.959 609 HZ PHE 82 HZ PHE 82 27.457 -15.234 -24.453 610 H ARG 83 H ARG 83 26.287 -12.581 -19.443 611 HA ARG 83 HA ARG 83 24.342 -13.828 -19.863 612 HB2 ARG 83 2HB ARG 83 23.585 -10.921 -19.674 613 HB3 ARG 83 1HB ARG 83 22.357 -12.185 -19.767 614 HG2 ARG 83 2HG ARG 83 24.602 -12.290 -17.754 615 HG3 ARG 83 1HG ARG 83 23.083 -11.460 -17.412 616 HD2 ARG 83 2HD ARG 83 23.311 -14.376 -18.247 617 HD3 ARG 83 1HD ARG 83 23.023 -13.806 -16.591 618 HE ARG 83 HE ARG 83 21.083 -12.495 -18.058 619 HH11 ARG 83 1HH2 ARG 83 22.046 -15.826 -17.715 620 HH12 ARG 83 2HH2 ARG 83 20.454 -16.430 -18.018 621 HH21 ARG 83 1HH1 ARG 83 19.028 -13.306 -18.447 622 HH22 ARG 83 2HH1 ARG 83 18.758 -15.017 -18.429 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 16.868 -8.606 -26.216 2 H2 GLY 1 2HT GLY 1 17.699 -9.504 -27.394 3 H3 GLY 1 3HT GLY 1 17.635 -7.810 -27.502 4 HA2 GLY 1 2HA GLY 1 19.220 -9.503 -25.692 5 HA3 GLY 1 1HA GLY 1 19.735 -8.119 -26.656 6 H SER 2 H SER 2 17.380 -6.513 -25.853 7 HA SER 2 HA SER 2 17.444 -6.226 -22.950 8 HB2 SER 2 2HB SER 2 19.613 -5.334 -23.314 9 HB3 SER 2 1HB SER 2 19.113 -4.504 -24.785 10 HG SER 2 HG SER 2 19.220 -3.006 -23.134 11 H HIS 3 H HIS 3 15.111 -6.333 -23.675 12 HA HIS 3 HA HIS 3 14.036 -4.007 -25.129 13 HB2 HIS 3 2HB HIS 3 13.017 -6.571 -23.931 14 HB3 HIS 3 1HB HIS 3 11.870 -5.312 -24.391 15 HD1 HIS 3 1HD HIS 3 10.942 -6.608 -26.424 16 HD2 HIS 3 2HD HIS 3 15.058 -5.969 -26.606 17 HE1 HIS 3 1HE HIS 3 11.657 -7.210 -28.779 18 H MET 4 H MET 4 13.871 -2.113 -23.982 19 HA MET 4 HA MET 4 13.399 -0.615 -22.217 20 HB2 MET 4 2HB MET 4 11.485 -2.897 -21.626 21 HB3 MET 4 1HB MET 4 11.349 -1.272 -20.954 22 HG2 MET 4 2HG MET 4 11.404 -1.843 -23.928 23 HG3 MET 4 1HG MET 4 9.914 -1.682 -22.997 24 HE1 MET 4 3HE MET 4 9.648 -0.101 -21.328 25 HE2 MET 4 1HE MET 4 9.075 1.324 -22.206 26 HE3 MET 4 2HE MET 4 10.456 1.450 -21.119 27 H ALA 5 H ALA 5 15.673 -1.374 -21.445 28 HA ALA 5 HA ALA 5 15.543 -1.894 -18.582 29 HB1 ALA 5 1HB ALA 5 16.213 -4.036 -20.577 30 HB2 ALA 5 2HB ALA 5 15.267 -4.156 -19.093 31 HB3 ALA 5 3HB ALA 5 17.024 -4.043 -19.010 32 H THR 6 H THR 6 16.770 0.167 -18.853 33 HA THR 6 HA THR 6 19.239 0.412 -20.247 34 HB THR 6 HB THR 6 19.571 2.326 -18.705 35 HG1 THR 6 1HG THR 6 17.262 1.374 -17.374 36 HG21 THR 6 3HG2 THR 6 17.018 1.764 -20.092 37 HG22 THR 6 1HG2 THR 6 18.122 3.127 -20.270 38 HG23 THR 6 2HG2 THR 6 16.970 3.095 -18.936 39 HA PRO 7 HA PRO 7 21.905 -2.106 -17.774 40 HB2 PRO 7 2HB PRO 7 24.312 -0.917 -18.366 41 HB3 PRO 7 1HB PRO 7 23.468 -2.021 -19.465 42 HG2 PRO 7 2HG PRO 7 23.620 0.941 -19.509 43 HG3 PRO 7 1HG PRO 7 23.576 -0.209 -20.852 44 HD2 PRO 7 2HD PRO 7 21.424 1.267 -20.038 45 HD3 PRO 7 1HD PRO 7 21.296 -0.299 -20.867 46 H TRP 8 H TRP 8 23.533 -1.851 -15.964 47 HA TRP 8 HA TRP 8 23.731 -1.057 -13.729 48 HB2 TRP 8 2HB TRP 8 24.912 1.340 -14.007 49 HB3 TRP 8 1HB TRP 8 25.728 -0.166 -14.395 50 HD1 TRP 8 HD TRP 8 23.747 2.654 -16.133 51 HE1 TRP 8 1HE TRP 8 24.576 2.833 -18.569 52 HE3 TRP 8 3HE TRP 8 26.992 -1.285 -16.251 53 HZ2 TRP 8 2HZ TRP 8 26.381 1.484 -20.329 54 HZ3 TRP 8 3HZ TRP 8 28.258 -1.811 -18.316 55 HH2 TRP 8 HH TRP 8 27.956 -0.432 -20.355 56 H SER 9 H SER 9 21.039 -0.573 -14.563 57 HA SER 9 HA SER 9 20.516 1.970 -13.071 58 HB2 SER 9 2HB SER 9 19.808 1.129 -15.801 59 HB3 SER 9 1HB SER 9 18.436 1.731 -14.874 60 HG SER 9 HG SER 9 19.973 3.245 -16.098 61 H GLY 10 H GLY 10 18.120 -0.208 -14.521 62 HA2 GLY 10 2HA GLY 10 16.545 -1.640 -13.539 63 HA3 GLY 10 1HA GLY 10 17.627 -1.769 -12.153 64 H TYR 11 H TYR 11 17.666 0.229 -10.722 65 HA TYR 11 HA TYR 11 14.879 0.997 -10.115 66 HB2 TYR 11 2HB TYR 11 17.508 0.845 -8.781 67 HB3 TYR 11 1HB TYR 11 16.503 2.194 -8.253 68 HD1 TYR 11 1HD TYR 11 13.864 1.442 -8.071 69 HD2 TYR 11 2HD TYR 11 17.287 -1.096 -7.522 70 HE1 TYR 11 1HE TYR 11 12.495 -0.110 -6.705 71 HE2 TYR 11 2HE TYR 11 15.917 -2.647 -6.156 72 HH TYR 11 HH TYR 11 13.577 -3.240 -5.840 73 H LEU 12 H LEU 12 17.584 2.366 -11.766 74 HA LEU 12 HA LEU 12 17.308 5.138 -11.216 75 HB2 LEU 12 2HB LEU 12 18.367 3.385 -13.371 76 HB3 LEU 12 1HB LEU 12 18.075 5.066 -13.819 77 HG LEU 12 HG LEU 12 19.387 5.752 -11.775 78 HD11 LEU 12 1HD1 LEU 12 21.005 3.670 -11.191 79 HD12 LEU 12 2HD1 LEU 12 19.521 2.789 -11.553 80 HD13 LEU 12 3HD1 LEU 12 19.532 4.014 -10.285 81 HD21 LEU 12 3HD2 LEU 12 21.377 5.704 -12.957 82 HD22 LEU 12 1HD2 LEU 12 20.261 5.268 -14.252 83 HD23 LEU 12 2HD2 LEU 12 21.181 4.013 -13.421 84 H ASP 13 H ASP 13 15.326 2.984 -13.153 85 HA ASP 13 HA ASP 13 13.212 4.972 -13.395 86 HB2 ASP 13 2HB ASP 13 15.055 5.571 -15.098 87 HB3 ASP 13 1HB ASP 13 14.561 4.115 -15.962 88 H ASP 14 H ASP 14 14.594 1.942 -14.655 89 HA ASP 14 HA ASP 14 12.309 0.720 -15.745 90 HB2 ASP 14 2HB ASP 14 14.888 -0.078 -14.558 91 HB3 ASP 14 1HB ASP 14 13.662 -1.345 -14.576 92 H VAL 15 H VAL 15 13.500 -0.461 -12.677 93 HA VAL 15 HA VAL 15 11.128 -1.582 -11.726 94 HB VAL 15 HB VAL 15 13.362 -0.218 -10.205 95 HG11 VAL 15 1HG1 VAL 15 12.754 -2.040 -8.523 96 HG12 VAL 15 2HG1 VAL 15 11.270 -2.251 -9.452 97 HG13 VAL 15 3HG1 VAL 15 11.615 -0.703 -8.682 98 HG21 VAL 15 3HG2 VAL 15 14.708 -1.901 -10.872 99 HG22 VAL 15 1HG2 VAL 15 13.463 -2.350 -12.037 100 HG23 VAL 15 2HG2 VAL 15 13.497 -3.111 -10.447 101 H SER 16 H SER 16 12.276 1.745 -11.360 102 HA SER 16 HA SER 16 10.476 2.716 -9.438 103 HB2 SER 16 2HB SER 16 12.225 4.087 -10.169 104 HB3 SER 16 1HB SER 16 11.850 3.821 -11.868 105 HG SER 16 HG SER 16 10.485 5.423 -11.787 106 H ALA 17 H ALA 17 9.902 2.157 -12.914 107 HA ALA 17 HA ALA 17 7.296 3.456 -12.964 108 HB1 ALA 17 1HB ALA 17 7.281 1.877 -15.123 109 HB2 ALA 17 2HB ALA 17 8.993 1.738 -14.725 110 HB3 ALA 17 3HB ALA 17 8.288 3.322 -15.050 111 H LYS 18 H LYS 18 8.385 0.094 -12.573 112 HA LYS 18 HA LYS 18 5.603 -0.916 -12.423 113 HB2 LYS 18 2HB LYS 18 8.305 -2.241 -11.992 114 HB3 LYS 18 1HB LYS 18 6.767 -3.085 -12.181 115 HG2 LYS 18 2HG LYS 18 7.973 -1.241 -14.265 116 HG3 LYS 18 1HG LYS 18 8.101 -3.001 -14.297 117 HD2 LYS 18 2HD LYS 18 5.615 -3.153 -14.309 118 HD3 LYS 18 1HD LYS 18 5.531 -1.391 -14.374 119 HE2 LYS 18 2HE LYS 18 5.404 -1.909 -16.650 120 HE3 LYS 18 1HE LYS 18 7.162 -1.746 -16.462 121 HZ1 LYS 18 3HZ LYS 18 7.276 -4.122 -15.962 122 HZ2 LYS 18 1HZ LYS 18 6.632 -3.854 -17.507 123 HZ3 LYS 18 2HZ LYS 18 5.603 -4.267 -16.219 124 H PHE 19 H PHE 19 8.289 -0.123 -10.339 125 HA PHE 19 HA PHE 19 7.017 -1.211 -7.914 126 HB2 PHE 19 2HB PHE 19 9.560 -1.018 -8.773 127 HB3 PHE 19 1HB PHE 19 9.460 0.504 -7.889 128 HD1 PHE 19 2HD PHE 19 7.893 0.055 -5.592 129 HD2 PHE 19 1HD PHE 19 10.577 -2.682 -7.522 130 HE1 PHE 19 2HE PHE 19 8.170 -1.173 -3.454 131 HE2 PHE 19 1HE PHE 19 10.858 -3.913 -5.384 132 HZ PHE 19 HZ PHE 19 9.655 -3.158 -3.351 133 H ASP 20 H ASP 20 8.378 2.020 -8.787 134 HA ASP 20 HA ASP 20 6.934 3.371 -6.675 135 HB2 ASP 20 2HB ASP 20 8.980 3.897 -8.564 136 HB3 ASP 20 1HB ASP 20 7.721 5.093 -8.867 137 H THR 21 H THR 21 6.604 4.105 -10.162 138 HA THR 21 HA THR 21 4.016 5.245 -9.980 139 HB THR 21 HB THR 21 5.300 3.720 -12.272 140 HG1 THR 21 1HG THR 21 6.126 5.757 -12.808 141 HG21 THR 21 3HG2 THR 21 3.936 5.260 -13.672 142 HG22 THR 21 1HG2 THR 21 3.170 5.874 -12.206 143 HG23 THR 21 2HG2 THR 21 2.941 4.191 -12.684 144 H GLY 22 H GLY 22 4.994 1.875 -10.555 145 HA2 GLY 22 2HA GLY 22 2.409 0.808 -11.108 146 HA3 GLY 22 1HA GLY 22 3.764 -0.118 -10.464 147 H VAL 23 H VAL 23 4.195 0.361 -8.033 148 HA VAL 23 HA VAL 23 1.920 -0.456 -6.532 149 HB VAL 23 HB VAL 23 4.445 0.954 -5.639 150 HG11 VAL 23 1HG1 VAL 23 4.067 -0.077 -3.497 151 HG12 VAL 23 2HG1 VAL 23 2.701 -0.997 -4.128 152 HG13 VAL 23 3HG1 VAL 23 2.580 0.754 -3.952 153 HG21 VAL 23 3HG2 VAL 23 4.281 -1.391 -7.068 154 HG22 VAL 23 1HG2 VAL 23 4.234 -1.979 -5.407 155 HG23 VAL 23 2HG2 VAL 23 5.588 -0.992 -5.955 156 H ASP 24 H ASP 24 3.387 2.794 -6.885 157 HA ASP 24 HA ASP 24 1.686 4.214 -5.102 158 HB2 ASP 24 2HB ASP 24 3.741 5.070 -6.229 159 HB3 ASP 24 1HB ASP 24 2.866 5.093 -7.761 160 H ASN 25 H ASN 25 1.260 3.312 -8.515 161 HA ASN 25 HA ASN 25 -1.215 4.685 -8.977 162 HB2 ASN 25 2HB ASN 25 0.308 2.384 -10.152 163 HB3 ASN 25 1HB ASN 25 -1.361 2.624 -10.668 164 HD21 ASN 25 1HD2 ASN 25 -0.828 3.402 -12.804 165 HD22 ASN 25 2HD2 ASN 25 -0.050 4.888 -13.057 166 H LEU 26 H LEU 26 -0.475 1.372 -7.842 167 HA LEU 26 HA LEU 26 -3.203 0.494 -7.601 168 HB2 LEU 26 2HB LEU 26 -0.587 -0.485 -7.150 169 HB3 LEU 26 1HB LEU 26 -1.421 -0.632 -5.605 170 HG LEU 26 HG LEU 26 -2.461 -1.665 -8.250 171 HD11 LEU 26 1HD1 LEU 26 -0.947 -3.302 -7.815 172 HD12 LEU 26 2HD1 LEU 26 -2.147 -3.837 -6.640 173 HD13 LEU 26 3HD1 LEU 26 -0.790 -2.838 -6.123 174 HD21 LEU 26 3HD2 LEU 26 -4.454 -1.624 -7.188 175 HD22 LEU 26 1HD2 LEU 26 -3.702 -1.205 -5.650 176 HD23 LEU 26 2HD2 LEU 26 -3.816 -2.894 -6.145 177 H GLN 27 H GLN 27 -1.086 2.377 -5.490 178 HA GLN 27 HA GLN 27 -2.753 2.185 -3.121 179 HB2 GLN 27 2HB GLN 27 -0.208 2.916 -3.656 180 HB3 GLN 27 1HB GLN 27 -0.955 4.514 -3.600 181 HG2 GLN 27 2HG GLN 27 -1.870 4.035 -1.376 182 HG3 GLN 27 1HG GLN 27 -1.190 2.409 -1.429 183 HE21 GLN 27 1HE2 GLN 27 0.360 2.647 0.272 184 HE22 GLN 27 2HE2 GLN 27 1.656 3.740 0.193 185 H THR 28 H THR 28 -2.479 4.479 -5.826 186 HA THR 28 HA THR 28 -4.490 6.278 -4.637 187 HB THR 28 HB THR 28 -2.393 6.811 -6.125 188 HG1 THR 28 1HG THR 28 -3.369 8.689 -6.644 189 HG21 THR 28 3HG2 THR 28 -3.000 5.331 -8.007 190 HG22 THR 28 1HG2 THR 28 -2.915 7.012 -8.526 191 HG23 THR 28 2HG2 THR 28 -4.482 6.251 -8.256 192 H GLN 29 H GLN 29 -4.394 3.586 -6.876 193 HA GLN 29 HA GLN 29 -6.798 4.059 -8.331 194 HB2 GLN 29 2HB GLN 29 -4.837 2.013 -7.968 195 HB3 GLN 29 1HB GLN 29 -6.416 1.265 -7.777 196 HG2 GLN 29 2HG GLN 29 -5.489 2.934 -10.134 197 HG3 GLN 29 1HG GLN 29 -5.779 1.196 -10.131 198 HE21 GLN 29 1HE2 GLN 29 -8.262 1.577 -8.374 199 HE22 GLN 29 2HE2 GLN 29 -9.444 2.169 -9.434 200 H VAL 30 H VAL 30 -6.282 2.189 -5.300 201 HA VAL 30 HA VAL 30 -9.075 1.589 -4.938 202 HB VAL 30 HB VAL 30 -8.194 1.533 -2.395 203 HG11 VAL 30 1HG1 VAL 30 -7.018 -0.707 -3.820 204 HG12 VAL 30 2HG1 VAL 30 -8.606 -0.296 -4.468 205 HG13 VAL 30 3HG1 VAL 30 -8.422 -0.666 -2.754 206 HG21 VAL 30 3HG2 VAL 30 -5.902 1.284 -2.127 207 HG22 VAL 30 1HG2 VAL 30 -5.959 2.544 -3.360 208 HG23 VAL 30 2HG2 VAL 30 -5.643 0.872 -3.822 209 H THR 31 H THR 31 -7.129 4.427 -4.260 210 HA THR 31 HA THR 31 -8.860 5.737 -2.388 211 HB THR 31 HB THR 31 -7.335 7.079 -4.636 212 HG1 THR 31 1HG THR 31 -5.551 6.924 -3.086 213 HG21 THR 31 3HG2 THR 31 -8.633 8.529 -3.157 214 HG22 THR 31 1HG2 THR 31 -6.912 8.752 -2.842 215 HG23 THR 31 2HG2 THR 31 -7.891 7.783 -1.741 216 H GLU 32 H GLU 32 -8.739 5.720 -5.961 217 HA GLU 32 HA GLU 32 -11.095 7.311 -6.422 218 HB2 GLU 32 2HB GLU 32 -9.888 5.001 -8.002 219 HB3 GLU 32 1HB GLU 32 -11.024 6.187 -8.641 220 HG2 GLU 32 2HG GLU 32 -8.277 6.824 -7.537 221 HG3 GLU 32 1HG GLU 32 -8.688 6.727 -9.248 222 H ALA 33 H ALA 33 -10.499 3.807 -6.227 223 HA ALA 33 HA ALA 33 -13.127 2.808 -6.445 224 HB1 ALA 33 1HB ALA 33 -10.893 1.574 -6.295 225 HB2 ALA 33 2HB ALA 33 -12.187 0.858 -5.337 226 HB3 ALA 33 3HB ALA 33 -10.951 1.835 -4.556 227 H LEU 34 H LEU 34 -11.555 4.528 -3.820 228 HA LEU 34 HA LEU 34 -13.477 3.849 -1.740 229 HB2 LEU 34 2HB LEU 34 -10.994 4.800 -1.722 230 HB3 LEU 34 1HB LEU 34 -11.818 6.357 -1.789 231 HG LEU 34 HG LEU 34 -13.240 5.511 0.174 232 HD11 LEU 34 1HD1 LEU 34 -10.923 3.632 0.614 233 HD12 LEU 34 2HD1 LEU 34 -12.364 3.106 -0.256 234 HD13 LEU 34 3HD1 LEU 34 -12.492 3.650 1.416 235 HD21 LEU 34 3HD2 LEU 34 -10.289 6.129 0.329 236 HD22 LEU 34 1HD2 LEU 34 -11.243 5.894 1.793 237 HD23 LEU 34 2HD2 LEU 34 -11.654 7.191 0.672 238 H ASP 35 H ASP 35 -12.826 6.887 -3.530 239 HA ASP 35 HA ASP 35 -15.226 8.244 -2.756 240 HB2 ASP 35 2HB ASP 35 -13.069 9.115 -3.851 241 HB3 ASP 35 1HB ASP 35 -13.737 8.537 -5.379 242 H LYS 36 H LYS 36 -14.554 5.831 -5.203 243 HA LYS 36 HA LYS 36 -17.072 6.195 -6.658 244 HB2 LYS 36 2HB LYS 36 -14.538 4.987 -7.029 245 HB3 LYS 36 1HB LYS 36 -15.695 3.673 -7.056 246 HG2 LYS 36 2HG LYS 36 -16.369 4.256 -9.123 247 HG3 LYS 36 1HG LYS 36 -16.735 5.891 -8.578 248 HD2 LYS 36 2HD LYS 36 -15.038 5.910 -10.381 249 HD3 LYS 36 1HD LYS 36 -14.370 6.529 -8.871 250 HE2 LYS 36 2HE LYS 36 -12.867 4.823 -8.716 251 HE3 LYS 36 1HE LYS 36 -14.077 3.608 -9.176 252 HZ1 LYS 36 3HZ LYS 36 -12.783 5.534 -11.036 253 HZ2 LYS 36 1HZ LYS 36 -13.928 4.357 -11.462 254 HZ3 LYS 36 2HZ LYS 36 -12.393 3.885 -10.910 255 H LEU 37 H LEU 37 -15.687 4.005 -4.223 256 HA LEU 37 HA LEU 37 -17.795 2.088 -4.102 257 HB2 LEU 37 2HB LEU 37 -15.825 1.522 -2.959 258 HB3 LEU 37 1HB LEU 37 -15.649 3.131 -2.269 259 HG LEU 37 HG LEU 37 -17.507 2.709 -0.727 260 HD11 LEU 37 1HD1 LEU 37 -18.550 0.462 -0.627 261 HD12 LEU 37 2HD1 LEU 37 -17.635 -0.015 -2.058 262 HD13 LEU 37 3HD1 LEU 37 -18.856 1.252 -2.175 263 HD21 LEU 37 3HD2 LEU 37 -15.365 0.575 -0.836 264 HD22 LEU 37 1HD2 LEU 37 -16.482 0.734 0.519 265 HD23 LEU 37 2HD2 LEU 37 -15.374 2.051 0.131 266 H ALA 38 H ALA 38 -17.203 4.839 -1.896 267 HA ALA 38 HA ALA 38 -19.763 4.782 -0.630 268 HB1 ALA 38 1HB ALA 38 -17.633 5.939 0.082 269 HB2 ALA 38 2HB ALA 38 -19.072 6.951 0.199 270 HB3 ALA 38 3HB ALA 38 -17.954 7.159 -1.150 271 H ALA 39 H ALA 39 -18.748 5.932 -3.756 272 HA ALA 39 HA ALA 39 -20.696 7.904 -4.381 273 HB1 ALA 39 1HB ALA 39 -20.022 5.881 -6.451 274 HB2 ALA 39 2HB ALA 39 -18.636 6.597 -5.632 275 HB3 ALA 39 3HB ALA 39 -19.784 7.629 -6.480 276 H LYS 40 H LYS 40 -20.781 4.461 -5.269 277 HA LYS 40 HA LYS 40 -23.703 4.517 -5.639 278 HB2 LYS 40 2HB LYS 40 -21.368 2.933 -6.395 279 HB3 LYS 40 1HB LYS 40 -22.674 1.897 -5.826 280 HG2 LYS 40 2HG LYS 40 -22.884 2.249 -8.238 281 HG3 LYS 40 1HG LYS 40 -24.226 3.032 -7.403 282 HD2 LYS 40 2HD LYS 40 -23.202 5.197 -7.615 283 HD3 LYS 40 1HD LYS 40 -21.690 4.490 -8.184 284 HE2 LYS 40 2HE LYS 40 -23.299 3.467 -10.064 285 HE3 LYS 40 1HE LYS 40 -24.252 4.911 -9.665 286 HZ1 LYS 40 3HZ LYS 40 -22.271 6.260 -9.913 287 HZ2 LYS 40 1HZ LYS 40 -22.563 5.400 -11.345 288 HZ3 LYS 40 2HZ LYS 40 -21.343 4.886 -10.282 289 HA PRO 41 HA PRO 41 -24.632 3.218 -1.501 290 HB2 PRO 41 2HB PRO 41 -26.770 1.507 -2.097 291 HB3 PRO 41 1HB PRO 41 -26.898 3.256 -1.837 292 HG2 PRO 41 2HG PRO 41 -26.848 1.721 -4.367 293 HG3 PRO 41 1HG PRO 41 -27.681 3.232 -3.975 294 HD2 PRO 41 2HD PRO 41 -25.443 3.138 -5.498 295 HD3 PRO 41 1HD PRO 41 -25.847 4.524 -4.459 296 H SER 42 H SER 42 -25.541 0.676 -0.702 297 HA SER 42 HA SER 42 -23.218 -0.934 -0.654 298 HB2 SER 42 2HB SER 42 -26.135 -1.780 -0.540 299 HB3 SER 42 1HB SER 42 -24.775 -2.689 0.114 300 HG SER 42 HG SER 42 -24.861 -1.463 1.809 301 H ASP 43 H ASP 43 -22.333 -1.105 -2.798 302 HA ASP 43 HA ASP 43 -23.987 -2.641 -4.763 303 HB2 ASP 43 2HB ASP 43 -21.896 -0.497 -4.917 304 HB3 ASP 43 1HB ASP 43 -22.103 -1.586 -6.289 305 HA PRO 44 HA PRO 44 -21.048 -5.934 -4.601 306 HB2 PRO 44 2HB PRO 44 -21.385 -6.939 -7.131 307 HB3 PRO 44 1HB PRO 44 -22.576 -7.167 -5.839 308 HG2 PRO 44 2HG PRO 44 -22.624 -5.354 -8.162 309 HG3 PRO 44 1HG PRO 44 -23.962 -6.141 -7.315 310 HD2 PRO 44 2HD PRO 44 -23.230 -3.485 -7.044 311 HD3 PRO 44 1HD PRO 44 -24.228 -4.402 -5.897 312 H ALA 45 H ALA 45 -21.100 -4.087 -7.595 313 HA ALA 45 HA ALA 45 -18.476 -4.846 -8.496 314 HB1 ALA 45 1HB ALA 45 -20.035 -2.397 -9.265 315 HB2 ALA 45 2HB ALA 45 -20.622 -4.012 -9.663 316 HB3 ALA 45 3HB ALA 45 -19.069 -3.459 -10.292 317 H LEU 46 H LEU 46 -19.652 -1.650 -7.309 318 HA LEU 46 HA LEU 46 -17.214 -0.278 -7.243 319 HB2 LEU 46 2HB LEU 46 -19.835 -0.183 -5.925 320 HB3 LEU 46 1HB LEU 46 -18.563 0.528 -4.944 321 HG LEU 46 HG LEU 46 -19.527 2.274 -6.312 322 HD11 LEU 46 1HD1 LEU 46 -16.982 2.122 -6.054 323 HD12 LEU 46 2HD1 LEU 46 -17.592 3.148 -7.351 324 HD13 LEU 46 3HD1 LEU 46 -16.962 1.548 -7.721 325 HD21 LEU 46 3HD2 LEU 46 -20.571 1.085 -8.080 326 HD22 LEU 46 1HD2 LEU 46 -19.054 0.330 -8.571 327 HD23 LEU 46 2HD2 LEU 46 -19.313 2.051 -8.851 328 H LEU 47 H LEU 47 -18.645 -1.985 -4.443 329 HA LEU 47 HA LEU 47 -16.423 -1.836 -2.685 330 HB2 LEU 47 2HB LEU 47 -18.951 -2.739 -2.578 331 HB3 LEU 47 1HB LEU 47 -18.131 -4.287 -2.779 332 HG LEU 47 HG LEU 47 -16.553 -3.264 -0.880 333 HD11 LEU 47 1HD1 LEU 47 -17.422 -1.231 -0.286 334 HD12 LEU 47 2HD1 LEU 47 -18.502 -2.219 0.696 335 HD13 LEU 47 3HD1 LEU 47 -19.033 -1.631 -0.880 336 HD21 LEU 47 3HD2 LEU 47 -17.532 -5.318 -0.394 337 HD22 LEU 47 1HD2 LEU 47 -19.159 -4.743 -0.753 338 HD23 LEU 47 2HD2 LEU 47 -18.374 -4.283 0.758 339 H ALA 48 H ALA 48 -17.352 -4.494 -4.895 340 HA ALA 48 HA ALA 48 -15.131 -6.217 -4.493 341 HB1 ALA 48 1HB ALA 48 -15.716 -6.918 -6.862 342 HB2 ALA 48 2HB ALA 48 -16.838 -5.557 -6.908 343 HB3 ALA 48 3HB ALA 48 -17.087 -6.869 -5.755 344 H ALA 49 H ALA 49 -15.494 -3.303 -6.406 345 HA ALA 49 HA ALA 49 -13.132 -3.558 -8.013 346 HB1 ALA 49 1HB ALA 49 -13.682 -1.351 -8.638 347 HB2 ALA 49 2HB ALA 49 -14.365 -0.982 -7.054 348 HB3 ALA 49 3HB ALA 49 -15.233 -2.043 -8.164 349 H TYR 50 H TYR 50 -13.692 -1.421 -5.137 350 HA TYR 50 HA TYR 50 -10.986 -0.671 -4.755 351 HB2 TYR 50 2HB TYR 50 -13.012 0.261 -3.623 352 HB3 TYR 50 1HB TYR 50 -13.106 -1.206 -2.652 353 HD1 TYR 50 1HD TYR 50 -10.885 -1.852 -1.354 354 HD2 TYR 50 2HD TYR 50 -11.807 2.071 -2.820 355 HE1 TYR 50 1HE TYR 50 -9.265 -0.872 0.235 356 HE2 TYR 50 2HE TYR 50 -10.188 3.054 -1.238 357 HH TYR 50 HH TYR 50 -9.175 1.865 1.323 358 H GLN 51 H GLN 51 -12.728 -3.579 -3.645 359 HA GLN 51 HA GLN 51 -10.576 -4.601 -2.004 360 HB2 GLN 51 2HB GLN 51 -12.933 -5.878 -3.426 361 HB3 GLN 51 1HB GLN 51 -11.916 -6.724 -2.260 362 HG2 GLN 51 2HG GLN 51 -12.474 -4.990 -0.562 363 HG3 GLN 51 1HG GLN 51 -13.562 -4.234 -1.726 364 HE21 GLN 51 1HE2 GLN 51 -15.372 -5.706 -2.575 365 HE22 GLN 51 2HE2 GLN 51 -16.005 -6.872 -1.517 366 H SER 52 H SER 52 -11.662 -5.286 -5.347 367 HA SER 52 HA SER 52 -9.799 -7.204 -6.160 368 HB2 SER 52 2HB SER 52 -11.731 -6.210 -7.446 369 HB3 SER 52 1HB SER 52 -10.752 -4.772 -7.720 370 HG SER 52 HG SER 52 -9.252 -6.076 -8.807 371 H LYS 53 H LYS 53 -9.425 -3.665 -6.066 372 HA LYS 53 HA LYS 53 -6.645 -3.732 -6.978 373 HB2 LYS 53 2HB LYS 53 -8.763 -1.812 -6.333 374 HB3 LYS 53 1HB LYS 53 -7.199 -1.286 -5.710 375 HG2 LYS 53 2HG LYS 53 -6.588 -0.657 -7.778 376 HG3 LYS 53 1HG LYS 53 -6.753 -2.322 -8.331 377 HD2 LYS 53 2HD LYS 53 -9.221 -1.914 -8.616 378 HD3 LYS 53 1HD LYS 53 -8.934 -0.215 -8.247 379 HE2 LYS 53 2HE LYS 53 -7.342 -0.092 -10.169 380 HE3 LYS 53 1HE LYS 53 -7.739 -1.774 -10.567 381 HZ1 LYS 53 3HZ LYS 53 -10.002 -1.220 -10.875 382 HZ2 LYS 53 1HZ LYS 53 -9.123 -0.053 -11.735 383 HZ3 LYS 53 2HZ LYS 53 -9.796 0.335 -10.223 384 H LEU 54 H LEU 54 -8.380 -3.772 -3.931 385 HA LEU 54 HA LEU 54 -6.193 -3.103 -2.178 386 HB2 LEU 54 2HB LEU 54 -8.662 -3.084 -1.687 387 HB3 LEU 54 1HB LEU 54 -8.635 -4.845 -1.700 388 HG LEU 54 HG LEU 54 -6.763 -4.638 0.062 389 HD11 LEU 54 1HD1 LEU 54 -6.088 -2.467 0.275 390 HD12 LEU 54 2HD1 LEU 54 -7.475 -2.343 1.357 391 HD13 LEU 54 3HD1 LEU 54 -7.618 -1.828 -0.323 392 HD21 LEU 54 3HD2 LEU 54 -8.395 -4.592 1.836 393 HD22 LEU 54 1HD2 LEU 54 -9.182 -5.319 0.436 394 HD23 LEU 54 2HD2 LEU 54 -9.512 -3.640 0.858 395 H SER 55 H SER 55 -7.742 -6.309 -2.603 396 HA SER 55 HA SER 55 -5.761 -7.914 -1.436 397 HB2 SER 55 2HB SER 55 -7.816 -8.247 -3.592 398 HB3 SER 55 1HB SER 55 -6.685 -9.566 -3.307 399 HG SER 55 HG SER 55 -8.320 -8.300 -1.356 400 H GLU 56 H GLU 56 -5.859 -6.541 -4.695 401 HA GLU 56 HA GLU 56 -3.537 -7.998 -5.692 402 HB2 GLU 56 2HB GLU 56 -5.442 -6.940 -7.018 403 HB3 GLU 56 1HB GLU 56 -4.730 -5.371 -6.634 404 HG2 GLU 56 2HG GLU 56 -3.733 -5.829 -8.688 405 HG3 GLU 56 1HG GLU 56 -2.528 -6.466 -7.568 406 H TYR 57 H TYR 57 -4.147 -4.893 -4.131 407 HA TYR 57 HA TYR 57 -1.507 -3.788 -4.550 408 HB2 TYR 57 2HB TYR 57 -3.543 -2.468 -4.129 409 HB3 TYR 57 1HB TYR 57 -3.685 -3.187 -2.528 410 HD1 TYR 57 2HD TYR 57 -0.612 -2.016 -4.340 411 HD2 TYR 57 1HD TYR 57 -3.316 -1.435 -1.059 412 HE1 TYR 57 2HE TYR 57 0.926 -0.332 -3.363 413 HE2 TYR 57 1HE TYR 57 -1.781 0.248 -0.077 414 HH TYR 57 HH TYR 57 1.427 0.679 -1.208 415 H ASN 58 H ASN 58 -3.079 -5.198 -1.637 416 HA ASN 58 HA ASN 58 -0.894 -5.079 0.130 417 HB2 ASN 58 2HB ASN 58 -3.256 -6.896 -0.274 418 HB3 ASN 58 1HB ASN 58 -2.064 -7.321 0.955 419 HD21 ASN 58 1HD2 ASN 58 -4.971 -6.049 0.968 420 HD22 ASN 58 2HD2 ASN 58 -4.803 -4.780 2.082 421 H LEU 59 H LEU 59 -1.714 -7.628 -2.239 422 HA LEU 59 HA LEU 59 0.600 -9.289 -1.693 423 HB2 LEU 59 2HB LEU 59 -1.672 -9.786 -2.887 424 HB3 LEU 59 1HB LEU 59 -0.909 -9.083 -4.311 425 HG LEU 59 HG LEU 59 -0.668 -11.549 -4.264 426 HD11 LEU 59 1HD1 LEU 59 2.088 -10.535 -3.709 427 HD12 LEU 59 2HD1 LEU 59 1.181 -9.793 -5.027 428 HD13 LEU 59 3HD1 LEU 59 1.505 -11.526 -5.046 429 HD21 LEU 59 3HD2 LEU 59 0.385 -12.706 -2.524 430 HD22 LEU 59 1HD2 LEU 59 -0.526 -11.478 -1.645 431 HD23 LEU 59 2HD2 LEU 59 1.202 -11.262 -1.926 432 H TYR 60 H TYR 60 -0.148 -6.602 -3.845 433 HA TYR 60 HA TYR 60 1.988 -6.543 -5.656 434 HB2 TYR 60 2HB TYR 60 -0.056 -4.906 -4.799 435 HB3 TYR 60 1HB TYR 60 1.359 -3.984 -4.323 436 HD1 TYR 60 2HD TYR 60 0.315 -6.078 -7.267 437 HD2 TYR 60 1HD TYR 60 2.045 -2.418 -5.846 438 HE1 TYR 60 2HE TYR 60 0.556 -5.284 -9.600 439 HE2 TYR 60 1HE TYR 60 2.281 -1.621 -8.172 440 HH TYR 60 HH TYR 60 2.510 -2.960 -10.560 441 H ARG 61 H ARG 61 1.910 -4.978 -2.438 442 HA ARG 61 HA ARG 61 4.466 -3.948 -2.210 443 HB2 ARG 61 2HB ARG 61 2.841 -5.488 -0.163 444 HB3 ARG 61 1HB ARG 61 4.165 -4.391 0.229 445 HG2 ARG 61 2HG ARG 61 2.172 -3.200 -1.573 446 HG3 ARG 61 1HG ARG 61 1.509 -3.657 -0.005 447 HD2 ARG 61 2HD ARG 61 2.325 -1.418 0.273 448 HD3 ARG 61 1HD ARG 61 3.558 -2.457 1.017 449 HE ARG 61 HE ARG 61 4.022 -2.036 -1.829 450 HH11 ARG 61 1HH2 ARG 61 4.480 -0.725 1.367 451 HH12 ARG 61 2HH2 ARG 61 5.871 0.195 0.908 452 HH21 ARG 61 1HH1 ARG 61 5.827 -0.833 -2.396 453 HH22 ARG 61 2HH1 ARG 61 6.630 0.135 -1.204 454 H ASN 62 H ASN 62 3.571 -7.368 -1.627 455 HA ASN 62 HA ASN 62 6.293 -8.157 -0.931 456 HB2 ASN 62 2HB ASN 62 3.794 -9.698 -1.709 457 HB3 ASN 62 1HB ASN 62 5.250 -10.427 -1.029 458 HD21 ASN 62 1HD2 ASN 62 2.302 -8.799 -0.234 459 HD22 ASN 62 2HD2 ASN 62 2.593 -8.629 1.430 460 H ALA 63 H ALA 63 4.181 -8.781 -3.768 461 HA ALA 63 HA ALA 63 5.998 -10.198 -5.381 462 HB1 ALA 63 1HB ALA 63 4.350 -9.912 -6.952 463 HB2 ALA 63 2HB ALA 63 4.265 -8.170 -6.689 464 HB3 ALA 63 3HB ALA 63 3.455 -9.271 -5.574 465 H GLN 64 H GLN 64 5.301 -6.703 -5.801 466 HA GLN 64 HA GLN 64 7.380 -6.048 -7.554 467 HB2 GLN 64 2HB GLN 64 5.655 -4.702 -5.579 468 HB3 GLN 64 1HB GLN 64 7.146 -3.830 -5.932 469 HG2 GLN 64 2HG GLN 64 5.227 -4.866 -8.040 470 HG3 GLN 64 1HG GLN 64 5.275 -3.198 -7.465 471 HE21 GLN 64 1HE2 GLN 64 6.065 -4.609 -10.161 472 HE22 GLN 64 2HE2 GLN 64 7.593 -3.951 -10.496 473 H SER 65 H SER 65 7.554 -6.426 -4.029 474 HA SER 65 HA SER 65 10.287 -5.402 -3.825 475 HB2 SER 65 2HB SER 65 10.005 -5.916 -1.515 476 HB3 SER 65 1HB SER 65 8.401 -5.449 -2.071 477 HG SER 65 HG SER 65 9.229 -7.777 -1.030 478 H ASN 66 H ASN 66 8.772 -8.522 -4.367 479 HA ASN 66 HA ASN 66 11.276 -10.016 -3.871 480 HB2 ASN 66 2HB ASN 66 8.997 -10.825 -3.224 481 HB3 ASN 66 1HB ASN 66 8.568 -10.884 -4.935 482 HD21 ASN 66 1HD2 ASN 66 8.457 -13.146 -5.280 483 HD22 ASN 66 2HD2 ASN 66 9.753 -14.205 -5.001 484 H THR 67 H THR 67 9.542 -8.590 -6.544 485 HA THR 67 HA THR 67 10.994 -10.195 -8.568 486 HB THR 67 HB THR 67 9.569 -8.638 -10.064 487 HG1 THR 67 1HG THR 67 8.821 -7.037 -8.926 488 HG21 THR 67 3HG2 THR 67 7.841 -10.157 -9.945 489 HG22 THR 67 1HG2 THR 67 7.788 -10.117 -8.183 490 HG23 THR 67 2HG2 THR 67 9.049 -11.036 -9.006 491 H ALA 68 H ALA 68 10.796 -6.819 -7.409 492 HA ALA 68 HA ALA 68 12.532 -5.600 -9.298 493 HB1 ALA 68 1HB ALA 68 12.648 -3.842 -7.667 494 HB2 ALA 68 2HB ALA 68 12.357 -4.968 -6.341 495 HB3 ALA 68 3HB ALA 68 11.060 -4.586 -7.473 496 H LYS 69 H LYS 69 13.297 -7.285 -6.248 497 HA LYS 69 HA LYS 69 16.065 -6.740 -6.069 498 HB2 LYS 69 2HB LYS 69 14.215 -8.955 -5.258 499 HB3 LYS 69 1HB LYS 69 15.950 -9.187 -5.037 500 HG2 LYS 69 2HG LYS 69 16.051 -7.047 -3.775 501 HG3 LYS 69 1HG LYS 69 14.302 -6.889 -3.942 502 HD2 LYS 69 2HD LYS 69 14.775 -7.864 -1.770 503 HD3 LYS 69 1HD LYS 69 14.053 -9.106 -2.793 504 HE2 LYS 69 2HE LYS 69 15.979 -10.350 -2.859 505 HE3 LYS 69 1HE LYS 69 17.019 -8.912 -2.910 506 HZ1 LYS 69 3HZ LYS 69 17.085 -10.131 -0.752 507 HZ2 LYS 69 1HZ LYS 69 15.453 -9.732 -0.524 508 HZ3 LYS 69 2HZ LYS 69 16.623 -8.503 -0.613 509 H ALA 70 H ALA 70 14.445 -9.456 -7.756 510 HA ALA 70 HA ALA 70 16.923 -10.507 -8.865 511 HB1 ALA 70 1HB ALA 70 15.435 -12.066 -9.929 512 HB2 ALA 70 2HB ALA 70 14.076 -10.949 -9.803 513 HB3 ALA 70 3HB ALA 70 14.726 -11.712 -8.353 514 H PHE 71 H PHE 71 14.412 -8.274 -9.950 515 HA PHE 71 HA PHE 71 15.004 -8.178 -12.731 516 HB2 PHE 71 2HB PHE 71 13.290 -6.963 -10.927 517 HB3 PHE 71 1HB PHE 71 14.304 -5.620 -11.451 518 HD1 PHE 71 2HD PHE 71 14.763 -5.527 -14.066 519 HD2 PHE 71 1HD PHE 71 11.442 -7.535 -12.227 520 HE1 PHE 71 2HE PHE 71 13.510 -5.412 -16.204 521 HE2 PHE 71 1HE PHE 71 10.189 -7.421 -14.364 522 HZ PHE 71 HZ PHE 71 11.223 -6.360 -16.353 523 H LYS 72 H LYS 72 16.092 -5.850 -10.221 524 HA LYS 72 HA LYS 72 18.005 -4.518 -11.874 525 HB2 LYS 72 2HB LYS 72 18.827 -3.664 -9.697 526 HB3 LYS 72 1HB LYS 72 17.064 -3.656 -9.758 527 HG2 LYS 72 2HG LYS 72 17.344 -6.080 -8.715 528 HG3 LYS 72 1HG LYS 72 18.899 -5.432 -8.191 529 HD2 LYS 72 2HD LYS 72 17.375 -3.367 -7.459 530 HD3 LYS 72 1HD LYS 72 16.138 -4.624 -7.384 531 HE2 LYS 72 2HE LYS 72 16.992 -4.880 -5.251 532 HE3 LYS 72 1HE LYS 72 18.169 -5.899 -6.104 533 HZ1 LYS 72 3HZ LYS 72 19.571 -3.964 -6.428 534 HZ2 LYS 72 1HZ LYS 72 19.280 -4.197 -4.773 535 HZ3 LYS 72 2HZ LYS 72 18.448 -2.979 -5.617 536 H ASP 73 H ASP 73 18.198 -7.501 -10.031 537 HA ASP 73 HA ASP 73 21.096 -7.698 -10.004 538 HB2 ASP 73 2HB ASP 73 19.326 -8.813 -8.507 539 HB3 ASP 73 1HB ASP 73 19.081 -9.947 -9.837 540 H ILE 74 H ILE 74 18.582 -9.406 -11.920 541 HA ILE 74 HA ILE 74 20.179 -10.955 -13.604 542 HB ILE 74 HB ILE 74 17.653 -9.377 -14.201 543 HG12 ILE 74 2HG1 ILE 74 17.747 -12.318 -13.651 544 HG13 ILE 74 1HG1 ILE 74 17.919 -11.215 -12.286 545 HG21 ILE 74 1HG2 ILE 74 19.149 -11.476 -15.743 546 HG22 ILE 74 2HG2 ILE 74 18.312 -10.042 -16.337 547 HG23 ILE 74 3HG2 ILE 74 17.387 -11.451 -15.816 548 HD11 ILE 74 3HD1 ILE 74 15.832 -10.022 -13.353 549 HD12 ILE 74 1HD1 ILE 74 15.602 -11.475 -12.380 550 HD13 ILE 74 2HD1 ILE 74 15.586 -11.580 -14.140 551 H ASP 75 H ASP 75 19.361 -7.503 -14.009 552 HA ASP 75 HA ASP 75 20.545 -7.057 -16.554 553 HB2 ASP 75 2HB ASP 75 20.101 -5.402 -14.067 554 HB3 ASP 75 1HB ASP 75 20.845 -4.697 -15.502 555 H ALA 76 H ALA 76 21.972 -7.071 -13.301 556 HA ALA 76 HA ALA 76 24.551 -6.069 -13.863 557 HB1 ALA 76 1HB ALA 76 23.388 -6.734 -11.665 558 HB2 ALA 76 2HB ALA 76 25.115 -7.074 -11.780 559 HB3 ALA 76 3HB ALA 76 23.944 -8.373 -12.005 560 H ALA 77 H ALA 77 23.131 -9.143 -14.748 561 HA ALA 77 HA ALA 77 25.776 -10.321 -15.407 562 HB1 ALA 77 1HB ALA 77 24.286 -12.297 -15.938 563 HB2 ALA 77 2HB ALA 77 22.908 -11.306 -15.461 564 HB3 ALA 77 3HB ALA 77 24.149 -11.717 -14.277 565 H ILE 78 H ILE 78 23.115 -8.666 -16.936 566 HA ILE 78 HA ILE 78 23.543 -9.728 -19.615 567 HB ILE 78 HB ILE 78 22.177 -7.206 -18.619 568 HG12 ILE 78 2HG1 ILE 78 20.984 -9.919 -19.274 569 HG13 ILE 78 1HG1 ILE 78 21.355 -9.385 -17.634 570 HG21 ILE 78 1HG2 ILE 78 20.864 -7.529 -20.764 571 HG22 ILE 78 2HG2 ILE 78 22.065 -8.733 -21.231 572 HG23 ILE 78 3HG2 ILE 78 22.547 -7.053 -20.991 573 HD11 ILE 78 3HD1 ILE 78 19.201 -8.480 -19.480 574 HD12 ILE 78 1HD1 ILE 78 19.943 -7.249 -18.458 575 HD13 ILE 78 2HD1 ILE 78 19.177 -8.658 -17.726 576 H ILE 79 H ILE 79 25.324 -7.544 -17.698 577 HA ILE 79 HA ILE 79 26.435 -6.173 -20.119 578 HB ILE 79 HB ILE 79 26.490 -5.449 -17.167 579 HG12 ILE 79 2HG1 ILE 79 24.915 -4.256 -19.476 580 HG13 ILE 79 1HG1 ILE 79 24.240 -5.317 -18.241 581 HG21 ILE 79 1HG2 ILE 79 27.795 -3.645 -17.689 582 HG22 ILE 79 2HG2 ILE 79 27.051 -3.437 -19.274 583 HG23 ILE 79 3HG2 ILE 79 28.299 -4.660 -19.039 584 HD11 ILE 79 3HD1 ILE 79 25.365 -2.534 -17.889 585 HD12 ILE 79 1HD1 ILE 79 25.118 -3.623 -16.525 586 HD13 ILE 79 2HD1 ILE 79 23.743 -3.108 -17.502 587 H GLN 80 H GLN 80 27.282 -7.889 -17.118 588 HA GLN 80 HA GLN 80 30.155 -7.941 -17.837 589 HB2 GLN 80 2HB GLN 80 28.404 -8.727 -15.522 590 HB3 GLN 80 1HB GLN 80 30.026 -9.411 -15.636 591 HG2 GLN 80 2HG GLN 80 30.654 -6.853 -16.108 592 HG3 GLN 80 1HG GLN 80 29.187 -6.585 -15.167 593 HE21 GLN 80 1HE2 GLN 80 32.133 -8.679 -14.993 594 HE22 GLN 80 2HE2 GLN 80 32.329 -8.507 -13.316 595 H ASN 81 H ASN 81 27.330 -10.046 -17.779 596 HA ASN 81 HA ASN 81 28.972 -12.303 -18.879 597 HB2 ASN 81 2HB ASN 81 26.660 -12.016 -17.035 598 HB3 ASN 81 1HB ASN 81 26.573 -13.376 -18.155 599 HD21 ASN 81 1HD2 ASN 81 27.308 -15.201 -17.050 600 HD22 ASN 81 2HD2 ASN 81 28.694 -15.253 -16.072 601 H PHE 82 H PHE 82 26.810 -9.888 -19.793 602 HA PHE 82 HA PHE 82 25.560 -9.482 -21.705 603 HB2 PHE 82 2HB PHE 82 26.539 -10.246 -23.621 604 HB3 PHE 82 1HB PHE 82 27.770 -10.804 -22.505 605 HD1 PHE 82 2HD PHE 82 24.526 -11.985 -24.018 606 HD2 PHE 82 1HD PHE 82 28.475 -13.022 -22.677 607 HE1 PHE 82 2HE PHE 82 24.198 -14.301 -24.838 608 HE2 PHE 82 1HE PHE 82 28.148 -15.333 -23.509 609 HZ PHE 82 HZ PHE 82 26.009 -15.975 -24.584 610 H ARG 83 H ARG 83 25.221 -12.498 -20.033 611 HA ARG 83 HA ARG 83 23.443 -14.023 -19.869 612 HB2 ARG 83 2HB ARG 83 22.310 -11.243 -20.062 613 HB3 ARG 83 1HB ARG 83 21.270 -12.629 -19.728 614 HG2 ARG 83 2HG ARG 83 23.775 -12.079 -18.134 615 HG3 ARG 83 1HG ARG 83 22.211 -11.400 -17.685 616 HD2 ARG 83 2HD ARG 83 22.787 -14.367 -18.032 617 HD3 ARG 83 1HD ARG 83 22.621 -13.526 -16.478 618 HE ARG 83 HE ARG 83 20.323 -12.806 -17.831 619 HH11 ARG 83 1HH2 ARG 83 21.851 -15.845 -17.074 620 HH12 ARG 83 2HH2 ARG 83 20.355 -16.709 -17.022 621 HH21 ARG 83 1HH1 ARG 83 18.397 -13.951 -17.757 622 HH22 ARG 83 2HH1 ARG 83 18.413 -15.647 -17.405 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 16.230 -6.153 -28.900 2 H2 GLY 1 2HT GLY 1 17.695 -6.342 -28.060 3 H3 GLY 1 3HT GLY 1 17.611 -5.309 -29.407 4 HA2 GLY 1 2HA GLY 1 17.616 -4.173 -27.186 5 HA3 GLY 1 1HA GLY 1 16.296 -3.739 -28.274 6 H SER 2 H SER 2 15.380 -3.154 -26.021 7 HA SER 2 HA SER 2 13.610 -5.376 -25.176 8 HB2 SER 2 2HB SER 2 15.957 -5.081 -23.891 9 HB3 SER 2 1HB SER 2 15.013 -3.889 -23.002 10 HG SER 2 HG SER 2 14.712 -5.837 -21.997 11 H HIS 3 H HIS 3 12.055 -4.451 -23.399 12 HA HIS 3 HA HIS 3 11.046 -1.849 -24.380 13 HB2 HIS 3 2HB HIS 3 10.050 -4.054 -22.565 14 HB3 HIS 3 1HB HIS 3 9.158 -2.546 -22.768 15 HD1 HIS 3 1HD HIS 3 7.589 -2.476 -24.707 16 HD2 HIS 3 2HD HIS 3 10.548 -5.365 -25.232 17 HE1 HIS 3 1HE HIS 3 7.032 -3.689 -26.861 18 H MET 4 H MET 4 12.339 -0.225 -23.443 19 HA MET 4 HA MET 4 13.207 1.175 -21.749 20 HB2 MET 4 2HB MET 4 10.708 -0.049 -20.566 21 HB3 MET 4 1HB MET 4 11.627 1.190 -19.710 22 HG2 MET 4 2HG MET 4 11.335 2.751 -21.551 23 HG3 MET 4 1HG MET 4 10.553 1.507 -22.528 24 HE1 MET 4 3HE MET 4 7.922 1.774 -22.802 25 HE2 MET 4 1HE MET 4 7.131 1.082 -21.379 26 HE3 MET 4 2HE MET 4 8.578 0.328 -22.042 27 H ALA 5 H ALA 5 15.167 -0.151 -21.494 28 HA ALA 5 HA ALA 5 15.417 -1.251 -18.770 29 HB1 ALA 5 1HB ALA 5 16.453 -3.368 -20.036 30 HB2 ALA 5 2HB ALA 5 15.321 -2.862 -21.289 31 HB3 ALA 5 3HB ALA 5 14.729 -3.271 -19.678 32 H THR 6 H THR 6 17.162 0.080 -18.276 33 HA THR 6 HA THR 6 19.432 0.234 -20.213 34 HB THR 6 HB THR 6 20.073 2.157 -18.702 35 HG1 THR 6 1HG THR 6 18.479 2.789 -17.202 36 HG21 THR 6 3HG2 THR 6 18.903 2.867 -20.591 37 HG22 THR 6 1HG2 THR 6 17.883 3.480 -19.289 38 HG23 THR 6 2HG2 THR 6 17.439 1.997 -20.133 39 HA PRO 7 HA PRO 7 21.869 -2.414 -17.665 40 HB2 PRO 7 2HB PRO 7 24.372 -1.339 -18.127 41 HB3 PRO 7 1HB PRO 7 23.535 -2.426 -19.248 42 HG2 PRO 7 2HG PRO 7 23.825 0.524 -19.338 43 HG3 PRO 7 1HG PRO 7 23.782 -0.651 -20.662 44 HD2 PRO 7 2HD PRO 7 21.676 0.943 -19.994 45 HD3 PRO 7 1HD PRO 7 21.497 -0.652 -20.758 46 H TRP 8 H TRP 8 23.444 -2.282 -15.785 47 HA TRP 8 HA TRP 8 23.591 -1.536 -13.530 48 HB2 TRP 8 2HB TRP 8 24.853 0.855 -13.757 49 HB3 TRP 8 1HB TRP 8 25.642 -0.690 -14.024 50 HD1 TRP 8 HD TRP 8 23.938 2.147 -16.003 51 HE1 TRP 8 1HE TRP 8 24.951 2.194 -18.373 52 HE3 TRP 8 3HE TRP 8 26.959 -1.960 -15.751 53 HZ2 TRP 8 2HZ TRP 8 26.801 0.688 -19.951 54 HZ3 TRP 8 3HZ TRP 8 28.338 -2.629 -17.698 55 HH2 TRP 8 HH TRP 8 28.263 -1.310 -19.796 56 H SER 9 H SER 9 20.975 -1.087 -14.121 57 HA SER 9 HA SER 9 20.480 1.523 -12.764 58 HB2 SER 9 2HB SER 9 19.713 0.637 -15.484 59 HB3 SER 9 1HB SER 9 18.424 1.400 -14.556 60 HG SER 9 HG SER 9 20.230 2.641 -15.866 61 H GLY 10 H GLY 10 18.069 -0.622 -14.234 62 HA2 GLY 10 2HA GLY 10 16.452 -2.018 -13.269 63 HA3 GLY 10 1HA GLY 10 17.507 -2.153 -11.860 64 H TYR 11 H TYR 11 17.543 -0.178 -10.427 65 HA TYR 11 HA TYR 11 14.774 0.656 -9.874 66 HB2 TYR 11 2HB TYR 11 17.435 0.651 -8.534 67 HB3 TYR 11 1HB TYR 11 16.270 1.858 -7.988 68 HD1 TYR 11 2HD TYR 11 16.184 -1.754 -9.030 69 HD2 TYR 11 1HD TYR 11 14.977 1.216 -6.170 70 HE1 TYR 11 2HE TYR 11 14.987 -3.493 -7.729 71 HE2 TYR 11 1HE TYR 11 13.781 -0.524 -4.868 72 HH TYR 11 HH TYR 11 14.125 -3.233 -4.673 73 H LEU 12 H LEU 12 17.495 1.948 -11.552 74 HA LEU 12 HA LEU 12 17.204 4.746 -11.090 75 HB2 LEU 12 2HB LEU 12 18.335 2.924 -13.158 76 HB3 LEU 12 1HB LEU 12 18.078 4.600 -13.646 77 HG LEU 12 HG LEU 12 19.322 5.311 -11.570 78 HD11 LEU 12 1HD1 LEU 12 20.893 3.234 -10.876 79 HD12 LEU 12 2HD1 LEU 12 19.426 2.348 -11.293 80 HD13 LEU 12 3HD1 LEU 12 19.380 3.594 -10.045 81 HD21 LEU 12 3HD2 LEU 12 21.136 3.511 -13.135 82 HD22 LEU 12 1HD2 LEU 12 21.369 5.193 -12.661 83 HD23 LEU 12 2HD2 LEU 12 20.286 4.795 -13.994 84 H ASP 13 H ASP 13 15.301 2.503 -13.003 85 HA ASP 13 HA ASP 13 13.197 4.478 -13.411 86 HB2 ASP 13 2HB ASP 13 15.152 4.910 -15.091 87 HB3 ASP 13 1HB ASP 13 14.542 3.475 -15.915 88 H ASP 14 H ASP 14 14.606 1.379 -14.465 89 HA ASP 14 HA ASP 14 12.343 0.110 -15.553 90 HB2 ASP 14 2HB ASP 14 14.905 -0.615 -14.313 91 HB3 ASP 14 1HB ASP 14 13.681 -1.880 -14.203 92 H VAL 15 H VAL 15 13.458 -0.909 -12.398 93 HA VAL 15 HA VAL 15 11.046 -1.967 -11.457 94 HB VAL 15 HB VAL 15 13.283 -0.583 -9.960 95 HG11 VAL 15 1HG1 VAL 15 12.603 -2.315 -8.206 96 HG12 VAL 15 2HG1 VAL 15 11.121 -2.516 -9.143 97 HG13 VAL 15 3HG1 VAL 15 11.511 -0.949 -8.433 98 HG21 VAL 15 3HG2 VAL 15 12.973 -3.230 -11.308 99 HG22 VAL 15 1HG2 VAL 15 13.883 -3.177 -9.798 100 HG23 VAL 15 2HG2 VAL 15 14.398 -2.201 -11.173 101 H SER 16 H SER 16 12.267 1.350 -11.121 102 HA SER 16 HA SER 16 10.418 2.416 -9.312 103 HB2 SER 16 2HB SER 16 12.223 3.727 -10.025 104 HB3 SER 16 1HB SER 16 11.887 3.430 -11.727 105 HG SER 16 HG SER 16 11.257 5.556 -10.715 106 H ALA 17 H ALA 17 9.915 1.655 -12.745 107 HA ALA 17 HA ALA 17 7.369 3.061 -12.964 108 HB1 ALA 17 1HB ALA 17 7.285 1.553 -15.063 109 HB2 ALA 17 2HB ALA 17 8.880 0.990 -14.562 110 HB3 ALA 17 3HB ALA 17 8.625 2.693 -14.945 111 H LYS 18 H LYS 18 8.346 -0.278 -12.274 112 HA LYS 18 HA LYS 18 5.522 -1.183 -12.085 113 HB2 LYS 18 2HB LYS 18 8.179 -2.584 -11.624 114 HB3 LYS 18 1HB LYS 18 6.609 -3.379 -11.735 115 HG2 LYS 18 2HG LYS 18 7.770 -1.668 -13.949 116 HG3 LYS 18 1HG LYS 18 7.959 -3.420 -13.874 117 HD2 LYS 18 2HD LYS 18 5.523 -3.708 -13.901 118 HD3 LYS 18 1HD LYS 18 5.302 -1.958 -13.912 119 HE2 LYS 18 2HE LYS 18 6.117 -1.742 -16.114 120 HE3 LYS 18 1HE LYS 18 6.944 -3.311 -16.058 121 HZ1 LYS 18 3HZ LYS 18 4.005 -3.012 -15.782 122 HZ2 LYS 18 1HZ LYS 18 4.881 -4.447 -16.006 123 HZ3 LYS 18 2HZ LYS 18 4.766 -3.318 -17.271 124 H PHE 19 H PHE 19 8.165 -0.174 -10.070 125 HA PHE 19 HA PHE 19 6.910 -1.175 -7.581 126 HB2 PHE 19 2HB PHE 19 9.472 -1.018 -8.481 127 HB3 PHE 19 1HB PHE 19 9.368 0.502 -7.593 128 HD1 PHE 19 2HD PHE 19 7.974 0.173 -5.258 129 HD2 PHE 19 1HD PHE 19 10.299 -2.815 -7.279 130 HE1 PHE 19 2HE PHE 19 8.239 -1.059 -3.120 131 HE2 PHE 19 1HE PHE 19 10.568 -4.049 -5.142 132 HZ PHE 19 HZ PHE 19 9.538 -3.171 -3.064 133 H ASP 20 H ASP 20 8.311 1.962 -8.689 134 HA ASP 20 HA ASP 20 6.900 3.493 -6.677 135 HB2 ASP 20 2HB ASP 20 8.950 3.841 -8.592 136 HB3 ASP 20 1HB ASP 20 7.699 5.005 -9.024 137 H THR 21 H THR 21 6.562 3.906 -10.217 138 HA THR 21 HA THR 21 3.970 5.076 -10.112 139 HB THR 21 HB THR 21 5.012 3.366 -12.376 140 HG1 THR 21 1HG THR 21 5.882 5.932 -11.543 141 HG21 THR 21 3HG2 THR 21 2.767 4.760 -12.290 142 HG22 THR 21 1HG2 THR 21 3.765 4.762 -13.744 143 HG23 THR 21 2HG2 THR 21 3.849 6.114 -12.615 144 H GLY 22 H GLY 22 4.978 1.685 -10.494 145 HA2 GLY 22 2HA GLY 22 2.418 0.552 -10.990 146 HA3 GLY 22 1HA GLY 22 3.772 -0.310 -10.262 147 H VAL 23 H VAL 23 4.165 0.428 -7.858 148 HA VAL 23 HA VAL 23 1.867 -0.340 -6.345 149 HB VAL 23 HB VAL 23 4.353 1.161 -5.490 150 HG11 VAL 23 1HG1 VAL 23 2.706 -0.782 -3.878 151 HG12 VAL 23 2HG1 VAL 23 2.367 0.950 -3.880 152 HG13 VAL 23 3HG1 VAL 23 3.924 0.356 -3.302 153 HG21 VAL 23 3HG2 VAL 23 4.229 -1.296 -6.770 154 HG22 VAL 23 1HG2 VAL 23 4.230 -1.746 -5.067 155 HG23 VAL 23 2HG2 VAL 23 5.541 -0.765 -5.720 156 H ASP 24 H ASP 24 3.292 2.890 -6.949 157 HA ASP 24 HA ASP 24 1.579 4.427 -5.276 158 HB2 ASP 24 2HB ASP 24 3.621 5.198 -6.510 159 HB3 ASP 24 1HB ASP 24 2.701 5.120 -8.014 160 H ASN 25 H ASN 25 1.154 3.267 -8.612 161 HA ASN 25 HA ASN 25 -1.366 4.542 -9.135 162 HB2 ASN 25 2HB ASN 25 0.246 2.250 -10.198 163 HB3 ASN 25 1HB ASN 25 -1.438 2.378 -10.708 164 HD21 ASN 25 1HD2 ASN 25 1.003 4.955 -10.058 165 HD22 ASN 25 2HD2 ASN 25 0.880 5.663 -11.596 166 H LEU 26 H LEU 26 -0.491 1.342 -7.816 167 HA LEU 26 HA LEU 26 -3.180 0.357 -7.515 168 HB2 LEU 26 2HB LEU 26 -0.489 -0.446 -6.985 169 HB3 LEU 26 1HB LEU 26 -1.397 -0.649 -5.491 170 HG LEU 26 HG LEU 26 -2.269 -1.713 -8.180 171 HD11 LEU 26 1HD1 LEU 26 -0.553 -3.162 -7.724 172 HD12 LEU 26 2HD1 LEU 26 -1.798 -3.915 -6.729 173 HD13 LEU 26 3HD1 LEU 26 -0.606 -2.844 -5.993 174 HD21 LEU 26 3HD2 LEU 26 -3.621 -1.342 -5.662 175 HD22 LEU 26 1HD2 LEU 26 -3.493 -3.065 -6.017 176 HD23 LEU 26 2HD2 LEU 26 -4.262 -1.980 -7.174 177 H GLN 27 H GLN 27 -1.160 2.474 -5.554 178 HA GLN 27 HA GLN 27 -2.802 2.286 -3.151 179 HB2 GLN 27 2HB GLN 27 -0.269 3.035 -3.710 180 HB3 GLN 27 1HB GLN 27 -1.037 4.623 -3.693 181 HG2 GLN 27 2HG GLN 27 -1.949 4.181 -1.456 182 HG3 GLN 27 1HG GLN 27 -1.236 2.568 -1.470 183 HE21 GLN 27 1HE2 GLN 27 -0.402 6.046 -1.452 184 HE22 GLN 27 2HE2 GLN 27 1.171 5.830 -0.854 185 H THR 28 H THR 28 -2.570 4.518 -5.919 186 HA THR 28 HA THR 28 -4.557 6.354 -4.766 187 HB THR 28 HB THR 28 -2.578 6.961 -6.248 188 HG1 THR 28 1HG THR 28 -3.707 8.667 -6.624 189 HG21 THR 28 3HG2 THR 28 -2.928 6.737 -8.693 190 HG22 THR 28 1HG2 THR 28 -4.379 5.784 -8.386 191 HG23 THR 28 2HG2 THR 28 -2.799 5.167 -7.904 192 H GLN 29 H GLN 29 -4.542 3.597 -6.947 193 HA GLN 29 HA GLN 29 -7.018 4.059 -8.291 194 HB2 GLN 29 2HB GLN 29 -5.043 2.024 -8.052 195 HB3 GLN 29 1HB GLN 29 -6.597 1.265 -7.728 196 HG2 GLN 29 2HG GLN 29 -5.842 2.880 -10.179 197 HG3 GLN 29 1HG GLN 29 -6.185 1.153 -10.115 198 HE21 GLN 29 1HE2 GLN 29 -8.518 1.604 -8.202 199 HE22 GLN 29 2HE2 GLN 29 -9.756 2.237 -9.170 200 H VAL 30 H VAL 30 -6.350 2.235 -5.257 201 HA VAL 30 HA VAL 30 -9.115 1.613 -4.772 202 HB VAL 30 HB VAL 30 -8.140 1.682 -2.254 203 HG11 VAL 30 1HG1 VAL 30 -7.034 -0.635 -3.597 204 HG12 VAL 30 2HG1 VAL 30 -8.629 -0.242 -4.238 205 HG13 VAL 30 3HG1 VAL 30 -8.419 -0.526 -2.512 206 HG21 VAL 30 3HG2 VAL 30 -5.836 1.406 -2.084 207 HG22 VAL 30 1HG2 VAL 30 -5.950 2.637 -3.341 208 HG23 VAL 30 2HG2 VAL 30 -5.662 0.953 -3.780 209 H THR 31 H THR 31 -7.137 4.458 -4.135 210 HA THR 31 HA THR 31 -8.893 5.820 -2.331 211 HB THR 31 HB THR 31 -7.318 7.123 -4.562 212 HG1 THR 31 1HG THR 31 -6.348 5.982 -2.154 213 HG21 THR 31 3HG2 THR 31 -7.072 8.908 -3.020 214 HG22 THR 31 1HG2 THR 31 -7.544 7.897 -1.654 215 HG23 THR 31 2HG2 THR 31 -8.750 8.391 -2.843 216 H GLU 32 H GLU 32 -8.687 5.787 -5.907 217 HA GLU 32 HA GLU 32 -11.026 7.388 -6.420 218 HB2 GLU 32 2HB GLU 32 -9.826 5.064 -7.985 219 HB3 GLU 32 1HB GLU 32 -10.902 6.295 -8.640 220 HG2 GLU 32 2HG GLU 32 -8.153 6.808 -7.478 221 HG3 GLU 32 1HG GLU 32 -8.550 6.771 -9.195 222 H ALA 33 H ALA 33 -10.443 3.885 -6.257 223 HA ALA 33 HA ALA 33 -13.057 2.874 -6.516 224 HB1 ALA 33 1HB ALA 33 -10.763 1.700 -6.291 225 HB2 ALA 33 2HB ALA 33 -12.112 0.916 -5.467 226 HB3 ALA 33 3HB ALA 33 -10.963 1.886 -4.552 227 H LEU 34 H LEU 34 -11.529 4.566 -3.843 228 HA LEU 34 HA LEU 34 -13.482 3.862 -1.805 229 HB2 LEU 34 2HB LEU 34 -10.975 4.971 -1.894 230 HB3 LEU 34 1HB LEU 34 -11.963 6.408 -1.628 231 HG LEU 34 HG LEU 34 -12.525 3.975 0.023 232 HD11 LEU 34 1HD1 LEU 34 -9.943 4.771 -0.123 233 HD12 LEU 34 2HD1 LEU 34 -10.674 4.165 1.363 234 HD13 LEU 34 3HD1 LEU 34 -10.531 5.903 1.096 235 HD21 LEU 34 3HD2 LEU 34 -12.727 6.032 1.691 236 HD22 LEU 34 1HD2 LEU 34 -14.015 5.682 0.537 237 HD23 LEU 34 2HD2 LEU 34 -12.840 6.952 0.190 238 H ASP 35 H ASP 35 -12.824 6.926 -3.546 239 HA ASP 35 HA ASP 35 -15.259 8.241 -2.800 240 HB2 ASP 35 2HB ASP 35 -13.163 9.255 -3.764 241 HB3 ASP 35 1HB ASP 35 -13.595 8.553 -5.323 242 H LYS 36 H LYS 36 -14.524 5.806 -5.191 243 HA LYS 36 HA LYS 36 -16.964 6.197 -6.768 244 HB2 LYS 36 2HB LYS 36 -14.444 4.964 -7.029 245 HB3 LYS 36 1HB LYS 36 -15.593 3.644 -7.043 246 HG2 LYS 36 2HG LYS 36 -16.205 4.151 -9.149 247 HG3 LYS 36 1HG LYS 36 -16.605 5.799 -8.668 248 HD2 LYS 36 2HD LYS 36 -14.858 5.791 -10.417 249 HD3 LYS 36 1HD LYS 36 -14.234 6.451 -8.905 250 HE2 LYS 36 2HE LYS 36 -12.709 4.776 -8.693 251 HE3 LYS 36 1HE LYS 36 -13.908 3.532 -9.096 252 HZ1 LYS 36 3HZ LYS 36 -13.718 4.051 -11.399 253 HZ2 LYS 36 1HZ LYS 36 -12.142 3.831 -10.813 254 HZ3 LYS 36 2HZ LYS 36 -12.734 5.401 -11.085 255 H LEU 37 H LEU 37 -15.736 3.933 -4.290 256 HA LEU 37 HA LEU 37 -17.952 2.130 -4.267 257 HB2 LEU 37 2HB LEU 37 -15.690 1.875 -3.155 258 HB3 LEU 37 1HB LEU 37 -16.235 3.016 -1.927 259 HG LEU 37 HG LEU 37 -17.850 0.558 -2.589 260 HD11 LEU 37 1HD1 LEU 37 -15.645 0.767 -0.517 261 HD12 LEU 37 2HD1 LEU 37 -15.528 -0.142 -2.024 262 HD13 LEU 37 3HD1 LEU 37 -16.691 -0.625 -0.790 263 HD21 LEU 37 3HD2 LEU 37 -17.733 2.631 -0.435 264 HD22 LEU 37 1HD2 LEU 37 -18.218 0.998 0.022 265 HD23 LEU 37 2HD2 LEU 37 -19.138 1.882 -1.195 266 H ALA 38 H ALA 38 -17.242 4.895 -2.118 267 HA ALA 38 HA ALA 38 -19.796 4.930 -0.814 268 HB1 ALA 38 1HB ALA 38 -19.034 7.117 -0.056 269 HB2 ALA 38 2HB ALA 38 -17.879 7.212 -1.386 270 HB3 ALA 38 3HB ALA 38 -17.648 6.026 -0.101 271 H ALA 39 H ALA 39 -18.733 5.995 -3.956 272 HA ALA 39 HA ALA 39 -20.638 8.006 -4.615 273 HB1 ALA 39 1HB ALA 39 -19.963 5.975 -6.673 274 HB2 ALA 39 2HB ALA 39 -18.576 6.656 -5.829 275 HB3 ALA 39 3HB ALA 39 -19.688 7.716 -6.693 276 H LYS 40 H LYS 40 -20.744 4.567 -5.503 277 HA LYS 40 HA LYS 40 -23.661 4.655 -5.907 278 HB2 LYS 40 2HB LYS 40 -21.321 2.989 -6.570 279 HB3 LYS 40 1HB LYS 40 -22.749 2.038 -6.168 280 HG2 LYS 40 2HG LYS 40 -23.931 3.816 -7.767 281 HG3 LYS 40 1HG LYS 40 -22.302 3.931 -8.434 282 HD2 LYS 40 2HD LYS 40 -22.581 1.221 -8.223 283 HD3 LYS 40 1HD LYS 40 -24.242 1.704 -8.572 284 HE2 LYS 40 2HE LYS 40 -23.189 3.159 -10.464 285 HE3 LYS 40 1HE LYS 40 -21.774 2.106 -10.259 286 HZ1 LYS 40 3HZ LYS 40 -23.452 1.243 -11.867 287 HZ2 LYS 40 1HZ LYS 40 -24.549 1.099 -10.583 288 HZ3 LYS 40 2HZ LYS 40 -23.118 0.184 -10.581 289 HA PRO 41 HA PRO 41 -24.657 3.342 -1.786 290 HB2 PRO 41 2HB PRO 41 -26.733 1.595 -2.980 291 HB3 PRO 41 1HB PRO 41 -26.917 2.933 -1.832 292 HG2 PRO 41 2HG PRO 41 -27.651 3.127 -4.410 293 HG3 PRO 41 1HG PRO 41 -27.052 4.506 -3.477 294 HD2 PRO 41 2HD PRO 41 -25.692 2.923 -5.586 295 HD3 PRO 41 1HD PRO 41 -25.506 4.636 -5.152 296 H SER 42 H SER 42 -25.579 0.804 -1.003 297 HA SER 42 HA SER 42 -23.267 -0.816 -0.919 298 HB2 SER 42 2HB SER 42 -26.187 -1.110 -0.464 299 HB3 SER 42 1HB SER 42 -25.299 -2.616 -0.683 300 HG SER 42 HG SER 42 -25.236 -0.784 1.375 301 H ASP 43 H ASP 43 -22.341 -0.984 -3.047 302 HA ASP 43 HA ASP 43 -23.965 -2.490 -5.056 303 HB2 ASP 43 2HB ASP 43 -21.901 -0.339 -5.114 304 HB3 ASP 43 1HB ASP 43 -21.924 -1.469 -6.468 305 HA PRO 44 HA PRO 44 -21.109 -5.852 -4.802 306 HB2 PRO 44 2HB PRO 44 -21.407 -6.860 -7.336 307 HB3 PRO 44 1HB PRO 44 -22.633 -7.056 -6.073 308 HG2 PRO 44 2HG PRO 44 -22.584 -5.250 -8.402 309 HG3 PRO 44 1HG PRO 44 -23.960 -6.007 -7.588 310 HD2 PRO 44 2HD PRO 44 -23.182 -3.367 -7.303 311 HD3 PRO 44 1HD PRO 44 -24.224 -4.262 -6.176 312 H ALA 45 H ALA 45 -21.048 -4.002 -7.795 313 HA ALA 45 HA ALA 45 -18.409 -4.819 -8.618 314 HB1 ALA 45 1HB ALA 45 -20.102 -2.445 -9.403 315 HB2 ALA 45 2HB ALA 45 -20.377 -4.090 -9.979 316 HB3 ALA 45 3HB ALA 45 -18.881 -3.250 -10.390 317 H LEU 46 H LEU 46 -19.596 -1.607 -7.500 318 HA LEU 46 HA LEU 46 -17.168 -0.230 -7.385 319 HB2 LEU 46 2HB LEU 46 -19.819 -0.139 -6.137 320 HB3 LEU 46 1HB LEU 46 -18.579 0.563 -5.110 321 HG LEU 46 HG LEU 46 -19.483 2.328 -6.481 322 HD11 LEU 46 1HD1 LEU 46 -16.911 1.593 -7.872 323 HD12 LEU 46 2HD1 LEU 46 -16.939 2.137 -6.194 324 HD13 LEU 46 3HD1 LEU 46 -17.527 3.195 -7.477 325 HD21 LEU 46 3HD2 LEU 46 -19.485 2.208 -8.933 326 HD22 LEU 46 1HD2 LEU 46 -20.448 0.900 -8.243 327 HD23 LEU 46 2HD2 LEU 46 -18.827 0.572 -8.860 328 H LEU 47 H LEU 47 -18.649 -1.877 -4.579 329 HA LEU 47 HA LEU 47 -16.453 -1.731 -2.797 330 HB2 LEU 47 2HB LEU 47 -19.010 -2.690 -2.804 331 HB3 LEU 47 1HB LEU 47 -18.099 -4.198 -2.798 332 HG LEU 47 HG LEU 47 -16.770 -2.615 -0.925 333 HD11 LEU 47 1HD1 LEU 47 -18.393 -1.599 0.470 334 HD12 LEU 47 2HD1 LEU 47 -19.726 -2.426 -0.337 335 HD13 LEU 47 3HD1 LEU 47 -18.870 -1.122 -1.159 336 HD21 LEU 47 3HD2 LEU 47 -17.134 -4.967 -0.611 337 HD22 LEU 47 1HD2 LEU 47 -18.886 -4.768 -0.668 338 HD23 LEU 47 2HD2 LEU 47 -17.973 -4.159 0.713 339 H ALA 48 H ALA 48 -17.366 -4.393 -5.006 340 HA ALA 48 HA ALA 48 -15.172 -6.139 -4.549 341 HB1 ALA 48 1HB ALA 48 -16.850 -5.474 -6.978 342 HB2 ALA 48 2HB ALA 48 -17.088 -6.805 -5.845 343 HB3 ALA 48 3HB ALA 48 -15.711 -6.818 -6.948 344 H ALA 49 H ALA 49 -15.465 -3.219 -6.463 345 HA ALA 49 HA ALA 49 -13.078 -3.507 -8.030 346 HB1 ALA 49 1HB ALA 49 -14.275 -0.904 -7.111 347 HB2 ALA 49 2HB ALA 49 -15.175 -1.964 -8.194 348 HB3 ALA 49 3HB ALA 49 -13.613 -1.316 -8.691 349 H TYR 50 H TYR 50 -13.668 -1.350 -5.173 350 HA TYR 50 HA TYR 50 -10.961 -0.630 -4.739 351 HB2 TYR 50 2HB TYR 50 -13.013 0.313 -3.654 352 HB3 TYR 50 1HB TYR 50 -13.120 -1.144 -2.671 353 HD1 TYR 50 1HD TYR 50 -10.893 -1.772 -1.349 354 HD2 TYR 50 2HD TYR 50 -11.854 2.133 -2.829 355 HE1 TYR 50 1HE TYR 50 -9.312 -0.764 0.262 356 HE2 TYR 50 2HE TYR 50 -10.275 3.144 -1.228 357 HH TYR 50 HH TYR 50 -7.963 1.933 0.084 358 H GLN 51 H GLN 51 -12.759 -3.510 -3.649 359 HA GLN 51 HA GLN 51 -10.651 -4.563 -1.967 360 HB2 GLN 51 2HB GLN 51 -13.010 -5.802 -3.424 361 HB3 GLN 51 1HB GLN 51 -12.029 -6.661 -2.235 362 HG2 GLN 51 2HG GLN 51 -12.581 -4.896 -0.559 363 HG3 GLN 51 1HG GLN 51 -13.648 -4.145 -1.746 364 HE21 GLN 51 1HE2 GLN 51 -15.467 -5.595 -2.592 365 HE22 GLN 51 2HE2 GLN 51 -16.123 -6.749 -1.533 366 H SER 52 H SER 52 -11.699 -5.245 -5.322 367 HA SER 52 HA SER 52 -9.860 -7.206 -6.095 368 HB2 SER 52 2HB SER 52 -11.745 -6.238 -7.432 369 HB3 SER 52 1HB SER 52 -10.797 -4.772 -7.662 370 HG SER 52 HG SER 52 -9.948 -5.786 -9.287 371 H LYS 53 H LYS 53 -9.434 -3.677 -6.006 372 HA LYS 53 HA LYS 53 -6.671 -3.742 -6.933 373 HB2 LYS 53 2HB LYS 53 -8.752 -1.856 -6.389 374 HB3 LYS 53 1HB LYS 53 -7.367 -1.394 -5.405 375 HG2 LYS 53 2HG LYS 53 -6.322 -0.568 -7.210 376 HG3 LYS 53 1HG LYS 53 -6.416 -2.135 -8.010 377 HD2 LYS 53 2HD LYS 53 -8.930 -0.545 -7.923 378 HD3 LYS 53 1HD LYS 53 -7.648 0.056 -8.977 379 HE2 LYS 53 2HE LYS 53 -7.651 -1.880 -10.313 380 HE3 LYS 53 1HE LYS 53 -8.429 -2.857 -9.052 381 HZ1 LYS 53 3HZ LYS 53 -10.044 -2.206 -10.728 382 HZ2 LYS 53 1HZ LYS 53 -9.668 -0.569 -10.491 383 HZ3 LYS 53 2HZ LYS 53 -10.402 -1.460 -9.245 384 H LEU 54 H LEU 54 -8.354 -3.837 -3.850 385 HA LEU 54 HA LEU 54 -6.150 -3.294 -2.099 386 HB2 LEU 54 2HB LEU 54 -8.743 -3.478 -1.759 387 HB3 LEU 54 1HB LEU 54 -8.418 -5.187 -1.490 388 HG LEU 54 HG LEU 54 -6.615 -4.373 0.177 389 HD11 LEU 54 1HD1 LEU 54 -7.814 -2.076 1.105 390 HD12 LEU 54 2HD1 LEU 54 -7.936 -1.866 -0.642 391 HD13 LEU 54 3HD1 LEU 54 -6.360 -2.114 0.107 392 HD21 LEU 54 3HD2 LEU 54 -9.596 -4.342 0.487 393 HD22 LEU 54 1HD2 LEU 54 -8.606 -3.825 1.852 394 HD23 LEU 54 2HD2 LEU 54 -8.412 -5.446 1.186 395 H SER 55 H SER 55 -7.681 -6.480 -2.688 396 HA SER 55 HA SER 55 -5.737 -8.147 -1.583 397 HB2 SER 55 2HB SER 55 -8.067 -8.447 -2.927 398 HB3 SER 55 1HB SER 55 -6.943 -8.989 -4.169 399 HG SER 55 HG SER 55 -7.669 -10.657 -2.706 400 H GLU 56 H GLU 56 -5.725 -6.644 -4.799 401 HA GLU 56 HA GLU 56 -3.335 -8.043 -5.725 402 HB2 GLU 56 2HB GLU 56 -5.229 -6.995 -7.094 403 HB3 GLU 56 1HB GLU 56 -4.523 -5.428 -6.699 404 HG2 GLU 56 2HG GLU 56 -3.455 -5.880 -8.709 405 HG3 GLU 56 1HG GLU 56 -2.300 -6.566 -7.566 406 H TYR 57 H TYR 57 -4.069 -4.985 -4.128 407 HA TYR 57 HA TYR 57 -1.442 -3.808 -4.456 408 HB2 TYR 57 2HB TYR 57 -3.539 -2.555 -4.086 409 HB3 TYR 57 1HB TYR 57 -3.691 -3.284 -2.492 410 HD1 TYR 57 2HD TYR 57 -0.591 -2.039 -4.198 411 HD2 TYR 57 1HD TYR 57 -3.441 -1.494 -1.038 412 HE1 TYR 57 2HE TYR 57 0.863 -0.306 -3.179 413 HE2 TYR 57 1HE TYR 57 -1.991 0.237 -0.014 414 HH TYR 57 HH TYR 57 0.645 0.723 -0.119 415 H ASN 58 H ASN 58 -3.084 -5.195 -1.570 416 HA ASN 58 HA ASN 58 -0.936 -5.082 0.239 417 HB2 ASN 58 2HB ASN 58 -3.159 -7.111 -0.177 418 HB3 ASN 58 1HB ASN 58 -2.122 -7.110 1.251 419 HD21 ASN 58 1HD2 ASN 58 -5.108 -6.428 0.890 420 HD22 ASN 58 2HD2 ASN 58 -5.270 -4.904 1.618 421 H LEU 59 H LEU 59 -1.706 -7.591 -2.174 422 HA LEU 59 HA LEU 59 0.556 -9.304 -1.550 423 HB2 LEU 59 2HB LEU 59 -1.687 -9.758 -2.817 424 HB3 LEU 59 1HB LEU 59 -0.866 -9.067 -4.213 425 HG LEU 59 HG LEU 59 -0.667 -11.536 -4.167 426 HD11 LEU 59 1HD1 LEU 59 1.524 -11.542 -4.884 427 HD12 LEU 59 2HD1 LEU 59 2.088 -10.589 -3.511 428 HD13 LEU 59 3HD1 LEU 59 1.244 -9.801 -4.845 429 HD21 LEU 59 3HD2 LEU 59 -0.624 -11.485 -1.548 430 HD22 LEU 59 1HD2 LEU 59 1.116 -11.278 -1.756 431 HD23 LEU 59 2HD2 LEU 59 0.316 -12.714 -2.395 432 H TYR 60 H TYR 60 -0.085 -6.595 -3.714 433 HA TYR 60 HA TYR 60 2.116 -6.576 -5.449 434 HB2 TYR 60 2HB TYR 60 0.062 -4.907 -4.692 435 HB3 TYR 60 1HB TYR 60 1.467 -4.001 -4.154 436 HD1 TYR 60 2HD TYR 60 0.458 -6.064 -7.129 437 HD2 TYR 60 1HD TYR 60 2.329 -2.493 -5.656 438 HE1 TYR 60 2HE TYR 60 0.825 -5.294 -9.454 439 HE2 TYR 60 1HE TYR 60 2.693 -1.723 -7.976 440 HH TYR 60 HH TYR 60 1.204 -3.230 -10.673 441 H ARG 61 H ARG 61 1.943 -4.981 -2.244 442 HA ARG 61 HA ARG 61 4.506 -3.990 -1.942 443 HB2 ARG 61 2HB ARG 61 2.771 -5.475 0.053 444 HB3 ARG 61 1HB ARG 61 4.123 -4.434 0.496 445 HG2 ARG 61 2HG ARG 61 2.772 -2.761 -1.155 446 HG3 ARG 61 1HG ARG 61 1.429 -3.706 -0.510 447 HD2 ARG 61 2HD ARG 61 3.543 -2.411 1.245 448 HD3 ARG 61 1HD ARG 61 1.976 -1.664 0.874 449 HE ARG 61 HE ARG 61 2.394 -3.929 2.654 450 HH11 ARG 61 1HH2 ARG 61 0.187 -2.430 0.414 451 HH12 ARG 61 2HH2 ARG 61 -1.208 -3.155 1.134 452 HH21 ARG 61 1HH1 ARG 61 0.568 -4.857 3.569 453 HH22 ARG 61 2HH1 ARG 61 -0.997 -4.519 2.907 454 H ASN 62 H ASN 62 3.539 -7.389 -1.362 455 HA ASN 62 HA ASN 62 6.243 -8.209 -0.607 456 HB2 ASN 62 2HB ASN 62 3.656 -9.632 -1.290 457 HB3 ASN 62 1HB ASN 62 5.114 -10.488 -0.787 458 HD21 ASN 62 1HD2 ASN 62 2.476 -8.452 0.332 459 HD22 ASN 62 2HD2 ASN 62 2.882 -8.506 1.979 460 H ALA 63 H ALA 63 4.132 -8.913 -3.425 461 HA ALA 63 HA ALA 63 5.935 -10.367 -5.008 462 HB1 ALA 63 1HB ALA 63 3.578 -10.068 -5.530 463 HB2 ALA 63 2HB ALA 63 4.526 -9.468 -6.892 464 HB3 ALA 63 3HB ALA 63 3.809 -8.333 -5.748 465 H GLN 64 H GLN 64 5.265 -6.883 -5.537 466 HA GLN 64 HA GLN 64 7.368 -6.295 -7.287 467 HB2 GLN 64 2HB GLN 64 5.605 -4.886 -5.406 468 HB3 GLN 64 1HB GLN 64 7.121 -4.034 -5.701 469 HG2 GLN 64 2HG GLN 64 5.284 -5.073 -7.879 470 HG3 GLN 64 1HG GLN 64 5.332 -3.399 -7.324 471 HE21 GLN 64 1HE2 GLN 64 6.619 -5.484 -9.646 472 HE22 GLN 64 2HE2 GLN 64 8.001 -4.588 -10.055 473 H SER 65 H SER 65 7.497 -6.634 -3.769 474 HA SER 65 HA SER 65 10.221 -5.595 -3.521 475 HB2 SER 65 2HB SER 65 8.279 -7.086 -1.743 476 HB3 SER 65 1HB SER 65 9.892 -6.640 -1.195 477 HG SER 65 HG SER 65 9.349 -4.561 -1.250 478 H ASN 66 H ASN 66 8.707 -8.732 -4.007 479 HA ASN 66 HA ASN 66 11.196 -10.229 -3.478 480 HB2 ASN 66 2HB ASN 66 8.343 -10.815 -4.230 481 HB3 ASN 66 1HB ASN 66 9.563 -12.078 -4.396 482 HD21 ASN 66 1HD2 ASN 66 8.493 -9.647 -1.943 483 HD22 ASN 66 2HD2 ASN 66 8.727 -10.675 -0.613 484 H THR 67 H THR 67 9.458 -8.898 -6.217 485 HA THR 67 HA THR 67 11.037 -10.477 -8.168 486 HB THR 67 HB THR 67 9.120 -8.250 -8.817 487 HG1 THR 67 1HG THR 67 7.765 -9.256 -7.549 488 HG21 THR 67 3HG2 THR 67 10.147 -9.322 -10.698 489 HG22 THR 67 1HG2 THR 67 8.503 -9.949 -10.597 490 HG23 THR 67 2HG2 THR 67 9.855 -10.924 -10.022 491 H ALA 68 H ALA 68 10.658 -7.103 -7.076 492 HA ALA 68 HA ALA 68 12.338 -5.831 -8.986 493 HB1 ALA 68 1HB ALA 68 10.836 -4.722 -7.358 494 HB2 ALA 68 2HB ALA 68 12.473 -4.075 -7.255 495 HB3 ALA 68 3HB ALA 68 11.900 -5.223 -6.044 496 H LYS 69 H LYS 69 13.160 -7.292 -5.827 497 HA LYS 69 HA LYS 69 15.901 -6.627 -5.691 498 HB2 LYS 69 2HB LYS 69 14.096 -8.773 -4.684 499 HB3 LYS 69 1HB LYS 69 15.829 -9.074 -4.552 500 HG2 LYS 69 2HG LYS 69 15.861 -6.598 -3.613 501 HG3 LYS 69 1HG LYS 69 14.171 -6.949 -3.246 502 HD2 LYS 69 2HD LYS 69 16.181 -9.023 -2.506 503 HD3 LYS 69 1HD LYS 69 16.144 -7.552 -1.533 504 HE2 LYS 69 2HE LYS 69 13.916 -7.919 -0.838 505 HE3 LYS 69 1HE LYS 69 13.597 -9.054 -2.165 506 HZ1 LYS 69 3HZ LYS 69 14.040 -10.201 -0.049 507 HZ2 LYS 69 1HZ LYS 69 15.579 -9.492 0.006 508 HZ3 LYS 69 2HZ LYS 69 15.192 -10.582 -1.238 509 H ALA 70 H ALA 70 14.400 -9.510 -7.197 510 HA ALA 70 HA ALA 70 16.907 -10.567 -8.211 511 HB1 ALA 70 1HB ALA 70 14.426 -11.535 -7.759 512 HB2 ALA 70 2HB ALA 70 15.545 -12.302 -8.886 513 HB3 ALA 70 3HB ALA 70 14.292 -11.216 -9.488 514 H PHE 71 H PHE 71 14.447 -8.366 -9.434 515 HA PHE 71 HA PHE 71 15.105 -8.419 -12.213 516 HB2 PHE 71 2HB PHE 71 13.312 -7.153 -10.525 517 HB3 PHE 71 1HB PHE 71 14.321 -5.817 -11.078 518 HD1 PHE 71 1HD PHE 71 12.069 -8.551 -12.154 519 HD2 PHE 71 2HD PHE 71 14.315 -5.101 -13.380 520 HE1 PHE 71 1HE PHE 71 10.887 -8.556 -14.334 521 HE2 PHE 71 2HE PHE 71 13.133 -5.107 -15.562 522 HZ PHE 71 HZ PHE 71 11.419 -6.834 -16.038 523 H LYS 72 H LYS 72 16.140 -6.057 -9.713 524 HA LYS 72 HA LYS 72 18.054 -4.726 -11.391 525 HB2 LYS 72 2HB LYS 72 18.797 -3.762 -9.234 526 HB3 LYS 72 1HB LYS 72 17.038 -3.790 -9.342 527 HG2 LYS 72 2HG LYS 72 16.902 -5.736 -7.929 528 HG3 LYS 72 1HG LYS 72 18.649 -5.972 -7.991 529 HD2 LYS 72 2HD LYS 72 18.715 -3.525 -7.013 530 HD3 LYS 72 1HD LYS 72 17.070 -3.902 -6.500 531 HE2 LYS 72 2HE LYS 72 18.282 -4.677 -4.657 532 HE3 LYS 72 1HE LYS 72 18.230 -6.152 -5.644 533 HZ1 LYS 72 3HZ LYS 72 20.367 -4.096 -5.832 534 HZ2 LYS 72 1HZ LYS 72 20.328 -5.601 -6.614 535 HZ3 LYS 72 2HZ LYS 72 20.508 -5.527 -4.925 536 H ASP 73 H ASP 73 18.241 -7.631 -9.427 537 HA ASP 73 HA ASP 73 21.155 -7.762 -9.362 538 HB2 ASP 73 2HB ASP 73 19.247 -8.807 -7.856 539 HB3 ASP 73 1HB ASP 73 19.327 -10.120 -9.032 540 H ILE 74 H ILE 74 18.674 -9.714 -11.074 541 HA ILE 74 HA ILE 74 20.320 -11.327 -12.657 542 HB ILE 74 HB ILE 74 17.684 -9.960 -13.301 543 HG12 ILE 74 2HG1 ILE 74 18.055 -12.826 -12.470 544 HG13 ILE 74 1HG1 ILE 74 18.052 -11.560 -11.242 545 HG21 ILE 74 1HG2 ILE 74 18.456 -10.758 -15.394 546 HG22 ILE 74 2HG2 ILE 74 17.439 -12.066 -14.788 547 HG23 ILE 74 3HG2 ILE 74 19.194 -12.188 -14.672 548 HD11 ILE 74 3HD1 ILE 74 15.789 -11.987 -11.316 549 HD12 ILE 74 1HD1 ILE 74 15.834 -12.501 -13.003 550 HD13 ILE 74 2HD1 ILE 74 15.881 -10.784 -12.601 551 H ASP 75 H ASP 75 19.319 -7.965 -13.304 552 HA ASP 75 HA ASP 75 20.362 -7.662 -15.928 553 HB2 ASP 75 2HB ASP 75 19.964 -5.855 -13.546 554 HB3 ASP 75 1HB ASP 75 20.629 -5.223 -15.052 555 H ALA 76 H ALA 76 21.948 -7.395 -12.764 556 HA ALA 76 HA ALA 76 24.447 -6.326 -13.505 557 HB1 ALA 76 1HB ALA 76 23.964 -8.542 -11.501 558 HB2 ALA 76 2HB ALA 76 23.472 -6.872 -11.220 559 HB3 ALA 76 3HB ALA 76 25.180 -7.268 -11.419 560 H ALA 77 H ALA 77 23.139 -9.506 -14.175 561 HA ALA 77 HA ALA 77 25.816 -10.561 -14.934 562 HB1 ALA 77 1HB ALA 77 24.380 -12.656 -15.253 563 HB2 ALA 77 2HB ALA 77 23.034 -11.714 -14.612 564 HB3 ALA 77 3HB ALA 77 24.452 -12.021 -13.608 565 H ILE 78 H ILE 78 22.946 -9.189 -16.351 566 HA ILE 78 HA ILE 78 23.200 -10.429 -18.968 567 HB ILE 78 HB ILE 78 21.818 -7.894 -18.030 568 HG12 ILE 78 2HG1 ILE 78 20.709 -10.691 -18.423 569 HG13 ILE 78 1HG1 ILE 78 21.152 -10.019 -16.855 570 HG21 ILE 78 1HG2 ILE 78 20.325 -8.646 -20.068 571 HG22 ILE 78 2HG2 ILE 78 21.798 -9.467 -20.586 572 HG23 ILE 78 3HG2 ILE 78 21.798 -7.718 -20.355 573 HD11 ILE 78 3HD1 ILE 78 19.585 -8.018 -17.747 574 HD12 ILE 78 1HD1 ILE 78 18.944 -9.396 -16.852 575 HD13 ILE 78 2HD1 ILE 78 18.843 -9.363 -18.613 576 H ILE 79 H ILE 79 25.086 -8.082 -17.396 577 HA ILE 79 HA ILE 79 25.892 -6.834 -19.996 578 HB ILE 79 HB ILE 79 26.261 -5.929 -17.120 579 HG12 ILE 79 2HG1 ILE 79 24.375 -4.907 -19.272 580 HG13 ILE 79 1HG1 ILE 79 23.890 -5.947 -17.933 581 HG21 ILE 79 1HG2 ILE 79 27.282 -4.975 -19.720 582 HG22 ILE 79 2HG2 ILE 79 27.878 -4.657 -18.092 583 HG23 ILE 79 3HG2 ILE 79 26.527 -3.724 -18.734 584 HD11 ILE 79 3HD1 ILE 79 25.072 -3.162 -17.714 585 HD12 ILE 79 1HD1 ILE 79 24.741 -4.215 -16.339 586 HD13 ILE 79 2HD1 ILE 79 23.414 -3.632 -17.344 587 H GLN 80 H GLN 80 27.153 -8.244 -16.970 588 HA GLN 80 HA GLN 80 29.914 -8.300 -18.018 589 HB2 GLN 80 2HB GLN 80 28.536 -9.228 -15.480 590 HB3 GLN 80 1HB GLN 80 30.268 -9.416 -15.758 591 HG2 GLN 80 2HG GLN 80 28.806 -6.764 -15.884 592 HG3 GLN 80 1HG GLN 80 29.690 -7.341 -14.470 593 HE21 GLN 80 1HE2 GLN 80 32.058 -8.224 -15.241 594 HE22 GLN 80 2HE2 GLN 80 32.900 -7.131 -16.229 595 H ASN 81 H ASN 81 27.193 -10.476 -17.508 596 HA ASN 81 HA ASN 81 28.791 -12.760 -18.614 597 HB2 ASN 81 2HB ASN 81 26.654 -12.404 -16.579 598 HB3 ASN 81 1HB ASN 81 26.523 -13.851 -17.579 599 HD21 ASN 81 1HD2 ASN 81 27.183 -15.337 -15.900 600 HD22 ASN 81 2HD2 ASN 81 28.761 -15.353 -15.273 601 H PHE 82 H PHE 82 26.464 -10.479 -19.469 602 HA PHE 82 HA PHE 82 25.015 -10.250 -21.268 603 HB2 PHE 82 2HB PHE 82 25.830 -11.120 -23.216 604 HB3 PHE 82 1HB PHE 82 27.184 -11.561 -22.194 605 HD1 PHE 82 2HD PHE 82 23.851 -12.940 -23.291 606 HD2 PHE 82 1HD PHE 82 27.947 -13.765 -22.282 607 HE1 PHE 82 2HE PHE 82 23.528 -15.317 -23.913 608 HE2 PHE 82 1HE PHE 82 27.622 -16.139 -22.917 609 HZ PHE 82 HZ PHE 82 25.413 -16.916 -23.728 610 H ARG 83 H ARG 83 24.955 -13.146 -19.363 611 HA ARG 83 HA ARG 83 23.262 -14.709 -18.915 612 HB2 ARG 83 2HB ARG 83 21.996 -11.993 -19.201 613 HB3 ARG 83 1HB ARG 83 21.064 -13.386 -18.647 614 HG2 ARG 83 2HG ARG 83 23.697 -12.627 -17.382 615 HG3 ARG 83 1HG ARG 83 22.169 -11.939 -16.830 616 HD2 ARG 83 2HD ARG 83 22.734 -14.922 -17.007 617 HD3 ARG 83 1HD ARG 83 22.815 -13.967 -15.514 618 HE ARG 83 HE ARG 83 20.336 -13.318 -16.544 619 HH11 ARG 83 1HH2 ARG 83 21.957 -16.311 -15.803 620 HH12 ARG 83 2HH2 ARG 83 20.486 -17.148 -15.449 621 HH21 ARG 83 1HH1 ARG 83 18.442 -14.426 -16.079 622 HH22 ARG 83 2HH1 ARG 83 18.510 -16.091 -15.603 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 19.041 -5.508 -25.840 2 H2 GLY 1 2HT GLY 1 18.301 -4.479 -24.709 3 H3 GLY 1 3HT GLY 1 19.178 -3.827 -26.011 4 HA2 GLY 1 2HA GLY 1 16.930 -3.573 -26.596 5 HA3 GLY 1 1HA GLY 1 17.534 -4.941 -27.533 6 H SER 2 H SER 2 15.667 -4.055 -24.661 7 HA SER 2 HA SER 2 14.116 -6.573 -24.949 8 HB2 SER 2 2HB SER 2 15.358 -5.735 -22.319 9 HB3 SER 2 1HB SER 2 14.574 -7.265 -22.698 10 HG SER 2 HG SER 2 17.135 -6.429 -23.158 11 H HIS 3 H HIS 3 12.275 -6.499 -23.194 12 HA HIS 3 HA HIS 3 10.929 -3.902 -23.444 13 HB2 HIS 3 2HB HIS 3 10.277 -6.634 -22.331 14 HB3 HIS 3 1HB HIS 3 9.162 -5.280 -22.145 15 HD1 HIS 3 1HD HIS 3 7.460 -6.484 -23.761 16 HD2 HIS 3 2HD HIS 3 11.102 -5.484 -25.524 17 HE1 HIS 3 1HE HIS 3 7.129 -6.704 -26.262 18 H MET 4 H MET 4 11.572 -2.319 -22.015 19 HA MET 4 HA MET 4 12.125 -1.257 -19.977 20 HB2 MET 4 2HB MET 4 10.134 -3.418 -19.368 21 HB3 MET 4 1HB MET 4 10.843 -2.522 -18.024 22 HG2 MET 4 2HG MET 4 10.092 -0.412 -18.962 23 HG3 MET 4 1HG MET 4 9.519 -1.221 -20.420 24 HE1 MET 4 3HE MET 4 6.106 -2.107 -19.846 25 HE2 MET 4 1HE MET 4 7.458 -3.147 -20.311 26 HE3 MET 4 2HE MET 4 7.403 -1.471 -20.853 27 H ALA 5 H ALA 5 14.409 -2.026 -20.257 28 HA ALA 5 HA ALA 5 15.338 -3.449 -17.886 29 HB1 ALA 5 1HB ALA 5 14.456 -5.154 -19.657 30 HB2 ALA 5 2HB ALA 5 16.028 -5.456 -18.917 31 HB3 ALA 5 3HB ALA 5 15.935 -4.761 -20.535 32 H THR 6 H THR 6 16.880 -1.860 -17.491 33 HA THR 6 HA THR 6 18.805 -1.228 -19.704 34 HB THR 6 HB THR 6 19.098 0.916 -18.474 35 HG1 THR 6 1HG THR 6 16.960 0.013 -16.855 36 HG21 THR 6 3HG2 THR 6 16.235 0.146 -19.100 37 HG22 THR 6 1HG2 THR 6 17.410 0.826 -20.226 38 HG23 THR 6 2HG2 THR 6 16.801 1.803 -18.891 39 HA PRO 7 HA PRO 7 21.891 -3.108 -17.159 40 HB2 PRO 7 2HB PRO 7 24.121 -1.834 -18.126 41 HB3 PRO 7 1HB PRO 7 23.288 -3.135 -18.995 42 HG2 PRO 7 2HG PRO 7 23.175 -0.199 -19.421 43 HG3 PRO 7 1HG PRO 7 23.129 -1.517 -20.601 44 HD2 PRO 7 2HD PRO 7 20.922 -0.121 -19.783 45 HD3 PRO 7 1HD PRO 7 20.872 -1.786 -20.404 46 H TRP 8 H TRP 8 23.551 -2.499 -15.511 47 HA TRP 8 HA TRP 8 23.827 -1.368 -13.434 48 HB2 TRP 8 2HB TRP 8 24.899 0.988 -14.128 49 HB3 TRP 8 1HB TRP 8 25.745 -0.533 -14.365 50 HD1 TRP 8 HD TRP 8 23.515 1.930 -16.336 51 HE1 TRP 8 1HE TRP 8 24.185 1.802 -18.823 52 HE3 TRP 8 3HE TRP 8 26.969 -1.822 -16.125 53 HZ2 TRP 8 2HZ TRP 8 25.957 0.306 -20.497 54 HZ3 TRP 8 3HZ TRP 8 28.138 -2.573 -18.177 55 HH2 TRP 8 HH TRP 8 27.636 -1.515 -20.362 56 H SER 9 H SER 9 21.071 -1.108 -14.160 57 HA SER 9 HA SER 9 20.516 1.536 -12.899 58 HB2 SER 9 2HB SER 9 19.714 0.515 -15.586 59 HB3 SER 9 1HB SER 9 18.517 1.449 -14.694 60 HG SER 9 HG SER 9 20.214 2.536 -16.122 61 H GLY 10 H GLY 10 18.135 -0.651 -14.353 62 HA2 GLY 10 2HA GLY 10 16.500 -2.021 -13.381 63 HA3 GLY 10 1HA GLY 10 17.547 -2.146 -11.966 64 H TYR 11 H TYR 11 17.584 -0.157 -10.556 65 HA TYR 11 HA TYR 11 14.817 0.687 -10.013 66 HB2 TYR 11 2HB TYR 11 17.477 0.692 -8.676 67 HB3 TYR 11 1HB TYR 11 16.323 1.916 -8.146 68 HD1 TYR 11 2HD TYR 11 16.529 -1.753 -8.895 69 HD2 TYR 11 1HD TYR 11 14.706 1.354 -6.554 70 HE1 TYR 11 2HE TYR 11 15.321 -3.463 -7.564 71 HE2 TYR 11 1HE TYR 11 13.500 -0.355 -5.224 72 HH TYR 11 HH TYR 11 12.718 -2.826 -5.683 73 H LEU 12 H LEU 12 17.534 1.965 -11.710 74 HA LEU 12 HA LEU 12 17.270 4.763 -11.281 75 HB2 LEU 12 2HB LEU 12 18.339 2.911 -13.345 76 HB3 LEU 12 1HB LEU 12 18.060 4.570 -13.871 77 HG LEU 12 HG LEU 12 19.370 5.355 -11.875 78 HD11 LEU 12 1HD1 LEU 12 20.936 3.303 -11.105 79 HD12 LEU 12 2HD1 LEU 12 19.457 2.408 -11.453 80 HD13 LEU 12 3HD1 LEU 12 19.439 3.714 -10.268 81 HD21 LEU 12 3HD2 LEU 12 21.369 5.193 -13.025 82 HD22 LEU 12 1HD2 LEU 12 20.271 4.661 -14.298 83 HD23 LEU 12 2HD2 LEU 12 21.163 3.472 -13.351 84 H ASP 13 H ASP 13 15.294 2.526 -13.125 85 HA ASP 13 HA ASP 13 13.187 4.502 -13.482 86 HB2 ASP 13 2HB ASP 13 15.128 4.918 -15.210 87 HB3 ASP 13 1HB ASP 13 14.434 3.525 -16.041 88 H ASP 14 H ASP 14 14.584 1.416 -14.584 89 HA ASP 14 HA ASP 14 12.305 0.147 -15.640 90 HB2 ASP 14 2HB ASP 14 14.892 -0.580 -14.447 91 HB3 ASP 14 1HB ASP 14 13.673 -1.851 -14.343 92 H VAL 15 H VAL 15 13.485 -0.900 -12.518 93 HA VAL 15 HA VAL 15 11.101 -1.978 -11.539 94 HB VAL 15 HB VAL 15 13.356 -0.582 -10.080 95 HG11 VAL 15 1HG1 VAL 15 11.520 -0.974 -8.577 96 HG12 VAL 15 2HG1 VAL 15 12.738 -2.211 -8.269 97 HG13 VAL 15 3HG1 VAL 15 11.294 -2.607 -9.201 98 HG21 VAL 15 3HG2 VAL 15 14.443 -2.197 -11.329 99 HG22 VAL 15 1HG2 VAL 15 13.023 -3.238 -11.409 100 HG23 VAL 15 2HG2 VAL 15 13.980 -3.165 -9.929 101 H SER 16 H SER 16 12.288 1.351 -11.215 102 HA SER 16 HA SER 16 10.459 2.388 -9.368 103 HB2 SER 16 2HB SER 16 12.237 3.724 -10.106 104 HB3 SER 16 1HB SER 16 11.875 3.428 -11.804 105 HG SER 16 HG SER 16 10.342 4.922 -11.749 106 H ALA 17 H ALA 17 9.915 1.672 -12.809 107 HA ALA 17 HA ALA 17 7.341 3.032 -12.962 108 HB1 ALA 17 1HB ALA 17 7.283 2.034 -15.156 109 HB2 ALA 17 2HB ALA 17 8.440 0.792 -14.680 110 HB3 ALA 17 3HB ALA 17 8.962 2.470 -14.835 111 H LYS 18 H LYS 18 8.377 -0.311 -12.361 112 HA LYS 18 HA LYS 18 5.576 -1.269 -12.165 113 HB2 LYS 18 2HB LYS 18 8.265 -2.613 -11.714 114 HB3 LYS 18 1HB LYS 18 6.714 -3.444 -11.822 115 HG2 LYS 18 2HG LYS 18 7.807 -1.690 -14.035 116 HG3 LYS 18 1HG LYS 18 8.066 -3.434 -13.967 117 HD2 LYS 18 2HD LYS 18 6.129 -3.472 -15.189 118 HD3 LYS 18 1HD LYS 18 5.390 -3.367 -13.590 119 HE2 LYS 18 2HE LYS 18 5.822 -0.726 -14.073 120 HE3 LYS 18 1HE LYS 18 5.549 -1.312 -15.727 121 HZ1 LYS 18 3HZ LYS 18 3.812 -1.859 -13.376 122 HZ2 LYS 18 1HZ LYS 18 3.570 -2.476 -14.938 123 HZ3 LYS 18 2HZ LYS 18 3.443 -0.805 -14.657 124 H PHE 19 H PHE 19 8.225 -0.287 -10.132 125 HA PHE 19 HA PHE 19 6.962 -1.305 -7.657 126 HB2 PHE 19 2HB PHE 19 9.530 -1.095 -8.558 127 HB3 PHE 19 1HB PHE 19 9.401 0.390 -7.617 128 HD1 PHE 19 2HD PHE 19 7.973 -0.059 -5.311 129 HD2 PHE 19 1HD PHE 19 10.402 -2.907 -7.412 130 HE1 PHE 19 2HE PHE 19 8.243 -1.364 -3.218 131 HE2 PHE 19 1HE PHE 19 10.674 -4.215 -5.319 132 HZ PHE 19 HZ PHE 19 9.596 -3.444 -3.223 133 H ASP 20 H ASP 20 8.350 1.858 -8.707 134 HA ASP 20 HA ASP 20 6.919 3.347 -6.681 135 HB2 ASP 20 2HB ASP 20 8.967 3.741 -8.595 136 HB3 ASP 20 1HB ASP 20 7.710 4.915 -8.990 137 H THR 21 H THR 21 6.585 3.850 -10.210 138 HA THR 21 HA THR 21 3.992 5.000 -10.093 139 HB THR 21 HB THR 21 5.288 3.357 -12.295 140 HG1 THR 21 1HG THR 21 6.628 4.947 -12.369 141 HG21 THR 21 3HG2 THR 21 3.925 5.189 -13.629 142 HG22 THR 21 1HG2 THR 21 2.941 5.211 -12.165 143 HG23 THR 21 2HG2 THR 21 3.134 3.713 -13.076 144 H GLY 22 H GLY 22 4.988 1.608 -10.495 145 HA2 GLY 22 2HA GLY 22 2.421 0.491 -10.999 146 HA3 GLY 22 1HA GLY 22 3.772 -0.384 -10.283 147 H VAL 23 H VAL 23 4.169 0.274 -7.876 148 HA VAL 23 HA VAL 23 1.856 -0.469 -6.375 149 HB VAL 23 HB VAL 23 4.396 0.934 -5.509 150 HG11 VAL 23 1HG1 VAL 23 2.425 0.785 -3.878 151 HG12 VAL 23 2HG1 VAL 23 3.957 0.107 -3.327 152 HG13 VAL 23 3HG1 VAL 23 2.677 -0.959 -3.909 153 HG21 VAL 23 3HG2 VAL 23 4.180 -1.485 -6.827 154 HG22 VAL 23 1HG2 VAL 23 4.144 -1.976 -5.134 155 HG23 VAL 23 2HG2 VAL 23 5.503 -1.039 -5.752 156 H ASP 24 H ASP 24 3.366 2.746 -6.869 157 HA ASP 24 HA ASP 24 1.690 4.270 -5.157 158 HB2 ASP 24 2HB ASP 24 3.738 5.050 -6.352 159 HB3 ASP 24 1HB ASP 24 2.841 5.003 -7.871 160 H ASN 25 H ASN 25 1.228 3.254 -8.538 161 HA ASN 25 HA ASN 25 -1.267 4.600 -8.994 162 HB2 ASN 25 2HB ASN 25 0.225 2.249 -10.141 163 HB3 ASN 25 1HB ASN 25 -1.419 2.578 -10.689 164 HD21 ASN 25 1HD2 ASN 25 1.041 2.874 -12.310 165 HD22 ASN 25 2HD2 ASN 25 1.125 4.509 -12.755 166 H LEU 26 H LEU 26 -0.466 1.321 -7.819 167 HA LEU 26 HA LEU 26 -3.160 0.368 -7.543 168 HB2 LEU 26 2HB LEU 26 -0.489 -0.472 -7.006 169 HB3 LEU 26 1HB LEU 26 -1.395 -0.669 -5.510 170 HG LEU 26 HG LEU 26 -2.277 -1.719 -8.203 171 HD11 LEU 26 1HD1 LEU 26 -0.621 -2.858 -6.021 172 HD12 LEU 26 2HD1 LEU 26 -0.610 -3.213 -7.746 173 HD13 LEU 26 3HD1 LEU 26 -1.849 -3.920 -6.710 174 HD21 LEU 26 3HD2 LEU 26 -3.541 -3.053 -6.058 175 HD22 LEU 26 1HD2 LEU 26 -4.282 -1.940 -7.207 176 HD23 LEU 26 2HD2 LEU 26 -3.634 -1.333 -5.683 177 H GLN 27 H GLN 27 -1.123 2.392 -5.496 178 HA GLN 27 HA GLN 27 -2.820 2.209 -3.132 179 HB2 GLN 27 2HB GLN 27 -0.259 2.914 -3.634 180 HB3 GLN 27 1HB GLN 27 -0.995 4.517 -3.600 181 HG2 GLN 27 2HG GLN 27 -1.563 2.506 -1.426 182 HG3 GLN 27 1HG GLN 27 -0.132 3.536 -1.358 183 HE21 GLN 27 1HE2 GLN 27 -0.752 6.004 -1.884 184 HE22 GLN 27 2HE2 GLN 27 -2.132 6.576 -1.075 185 H THR 28 H THR 28 -2.486 4.476 -5.859 186 HA THR 28 HA THR 28 -4.453 6.337 -4.717 187 HB THR 28 HB THR 28 -2.364 6.759 -6.251 188 HG1 THR 28 1HG THR 28 -3.240 8.642 -6.280 189 HG21 THR 28 3HG2 THR 28 -2.541 6.436 -8.512 190 HG22 THR 28 1HG2 THR 28 -4.280 6.724 -8.522 191 HG23 THR 28 2HG2 THR 28 -3.649 5.159 -8.014 192 H GLN 29 H GLN 29 -4.484 3.571 -6.860 193 HA GLN 29 HA GLN 29 -6.920 4.121 -8.268 194 HB2 GLN 29 2HB GLN 29 -4.982 2.058 -8.047 195 HB3 GLN 29 1HB GLN 29 -6.542 1.311 -7.725 196 HG2 GLN 29 2HG GLN 29 -5.776 2.935 -10.166 197 HG3 GLN 29 1HG GLN 29 -6.140 1.213 -10.113 198 HE21 GLN 29 1HE2 GLN 29 -8.463 1.650 -8.205 199 HE22 GLN 29 2HE2 GLN 29 -9.696 2.315 -9.158 200 H VAL 30 H VAL 30 -6.324 2.265 -5.241 201 HA VAL 30 HA VAL 30 -9.096 1.650 -4.796 202 HB VAL 30 HB VAL 30 -8.155 1.729 -2.262 203 HG11 VAL 30 1HG1 VAL 30 -7.030 -0.585 -3.609 204 HG12 VAL 30 2HG1 VAL 30 -8.634 -0.201 -4.229 205 HG13 VAL 30 3HG1 VAL 30 -8.401 -0.486 -2.505 206 HG21 VAL 30 3HG2 VAL 30 -5.657 1.026 -3.777 207 HG22 VAL 30 1HG2 VAL 30 -5.847 1.421 -2.069 208 HG23 VAL 30 2HG2 VAL 30 -5.956 2.693 -3.286 209 H THR 31 H THR 31 -7.166 4.527 -4.212 210 HA THR 31 HA THR 31 -8.918 5.881 -2.393 211 HB THR 31 HB THR 31 -7.397 7.194 -4.655 212 HG1 THR 31 1HG THR 31 -5.577 7.017 -3.192 213 HG21 THR 31 3HG2 THR 31 -8.137 7.875 -1.812 214 HG22 THR 31 1HG2 THR 31 -8.515 8.766 -3.286 215 HG23 THR 31 2HG2 THR 31 -6.864 8.747 -2.667 216 H GLU 32 H GLU 32 -8.759 5.792 -5.971 217 HA GLU 32 HA GLU 32 -11.122 7.363 -6.473 218 HB2 GLU 32 2HB GLU 32 -9.884 5.043 -8.014 219 HB3 GLU 32 1HB GLU 32 -11.021 6.214 -8.678 220 HG2 GLU 32 2HG GLU 32 -8.288 6.882 -7.558 221 HG3 GLU 32 1HG GLU 32 -8.686 6.764 -9.272 222 H ALA 33 H ALA 33 -10.495 3.869 -6.247 223 HA ALA 33 HA ALA 33 -13.107 2.833 -6.466 224 HB1 ALA 33 1HB ALA 33 -10.947 1.908 -4.538 225 HB2 ALA 33 2HB ALA 33 -10.833 1.655 -6.275 226 HB3 ALA 33 3HB ALA 33 -12.139 0.905 -5.358 227 H LEU 34 H LEU 34 -11.576 4.607 -3.850 228 HA LEU 34 HA LEU 34 -13.504 3.924 -1.776 229 HB2 LEU 34 2HB LEU 34 -11.031 4.879 -1.734 230 HB3 LEU 34 1HB LEU 34 -11.847 6.438 -1.846 231 HG LEU 34 HG LEU 34 -13.321 5.559 0.107 232 HD11 LEU 34 1HD1 LEU 34 -12.388 3.839 1.473 233 HD12 LEU 34 2HD1 LEU 34 -10.871 3.847 0.573 234 HD13 LEU 34 3HD1 LEU 34 -12.336 3.211 -0.175 235 HD21 LEU 34 3HD2 LEU 34 -10.413 6.362 0.329 236 HD22 LEU 34 1HD2 LEU 34 -11.441 6.185 1.751 237 HD23 LEU 34 2HD2 LEU 34 -11.841 7.380 0.516 238 H ASP 35 H ASP 35 -12.862 6.965 -3.565 239 HA ASP 35 HA ASP 35 -15.281 8.301 -2.820 240 HB2 ASP 35 2HB ASP 35 -12.992 8.925 -4.139 241 HB3 ASP 35 1HB ASP 35 -14.094 8.780 -5.508 242 H LYS 36 H LYS 36 -14.569 5.880 -5.247 243 HA LYS 36 HA LYS 36 -17.077 6.221 -6.727 244 HB2 LYS 36 2HB LYS 36 -14.534 5.036 -7.079 245 HB3 LYS 36 1HB LYS 36 -15.673 3.705 -7.094 246 HG2 LYS 36 2HG LYS 36 -16.378 4.261 -9.158 247 HG3 LYS 36 1HG LYS 36 -16.717 5.913 -8.643 248 HD2 LYS 36 2HD LYS 36 -15.030 5.868 -10.456 249 HD3 LYS 36 1HD LYS 36 -14.349 6.514 -8.963 250 HE2 LYS 36 2HE LYS 36 -12.830 4.831 -8.832 251 HE3 LYS 36 1HE LYS 36 -14.072 3.599 -9.130 252 HZ1 LYS 36 3HZ LYS 36 -13.028 5.392 -11.251 253 HZ2 LYS 36 1HZ LYS 36 -13.996 4.013 -11.446 254 HZ3 LYS 36 2HZ LYS 36 -12.380 3.851 -10.947 255 H LEU 37 H LEU 37 -15.694 4.031 -4.283 256 HA LEU 37 HA LEU 37 -17.799 2.113 -4.174 257 HB2 LEU 37 2HB LEU 37 -15.832 1.554 -3.020 258 HB3 LEU 37 1HB LEU 37 -15.675 3.160 -2.317 259 HG LEU 37 HG LEU 37 -17.541 2.718 -0.795 260 HD11 LEU 37 1HD1 LEU 37 -17.641 -0.050 -2.031 261 HD12 LEU 37 2HD1 LEU 37 -18.802 1.233 -2.373 262 HD13 LEU 37 3HD1 LEU 37 -18.676 0.569 -0.744 263 HD21 LEU 37 3HD2 LEU 37 -16.488 0.489 0.239 264 HD22 LEU 37 1HD2 LEU 37 -15.634 2.031 0.305 265 HD23 LEU 37 2HD2 LEU 37 -15.220 0.845 -0.934 266 H ALA 38 H ALA 38 -17.230 4.864 -1.964 267 HA ALA 38 HA ALA 38 -19.802 4.796 -0.719 268 HB1 ALA 38 1HB ALA 38 -17.968 7.160 -1.209 269 HB2 ALA 38 2HB ALA 38 -17.696 5.945 0.039 270 HB3 ALA 38 3HB ALA 38 -19.124 6.978 0.110 271 H ALA 39 H ALA 39 -18.762 5.953 -3.833 272 HA ALA 39 HA ALA 39 -20.700 7.932 -4.467 273 HB1 ALA 39 1HB ALA 39 -18.642 6.604 -5.709 274 HB2 ALA 39 2HB ALA 39 -19.769 7.659 -6.557 275 HB3 ALA 39 3HB ALA 39 -20.033 5.916 -6.543 276 H LYS 40 H LYS 40 -20.787 4.495 -5.366 277 HA LYS 40 HA LYS 40 -23.707 4.559 -5.746 278 HB2 LYS 40 2HB LYS 40 -21.358 2.912 -6.426 279 HB3 LYS 40 1HB LYS 40 -22.777 1.951 -6.012 280 HG2 LYS 40 2HG LYS 40 -23.990 3.709 -7.605 281 HG3 LYS 40 1HG LYS 40 -22.365 3.855 -8.279 282 HD2 LYS 40 2HD LYS 40 -22.578 1.147 -8.090 283 HD3 LYS 40 1HD LYS 40 -24.260 1.581 -8.397 284 HE2 LYS 40 2HE LYS 40 -23.213 3.118 -10.279 285 HE3 LYS 40 1HE LYS 40 -21.858 1.977 -10.155 286 HZ1 LYS 40 3HZ LYS 40 -24.696 1.142 -10.397 287 HZ2 LYS 40 1HZ LYS 40 -23.324 0.149 -10.482 288 HZ3 LYS 40 2HZ LYS 40 -23.642 1.265 -11.723 289 HA PRO 41 HA PRO 41 -24.662 3.239 -1.617 290 HB2 PRO 41 2HB PRO 41 -26.733 1.474 -2.796 291 HB3 PRO 41 1HB PRO 41 -26.919 2.813 -1.648 292 HG2 PRO 41 2HG PRO 41 -27.674 2.998 -4.221 293 HG3 PRO 41 1HG PRO 41 -27.080 4.382 -3.293 294 HD2 PRO 41 2HD PRO 41 -25.721 2.809 -5.411 295 HD3 PRO 41 1HD PRO 41 -25.547 4.525 -4.979 296 H SER 42 H SER 42 -25.558 0.693 -0.829 297 HA SER 42 HA SER 42 -23.230 -0.907 -0.766 298 HB2 SER 42 2HB SER 42 -25.009 -1.316 0.770 299 HB3 SER 42 1HB SER 42 -26.191 -1.484 -0.525 300 HG SER 42 HG SER 42 -24.387 -3.303 0.505 301 H ASP 43 H ASP 43 -22.326 -1.062 -2.905 302 HA ASP 43 HA ASP 43 -23.956 -2.589 -4.895 303 HB2 ASP 43 2HB ASP 43 -21.913 -0.416 -4.983 304 HB3 ASP 43 1HB ASP 43 -21.961 -1.540 -6.341 305 HA PRO 44 HA PRO 44 -21.050 -5.909 -4.689 306 HB2 PRO 44 2HB PRO 44 -21.359 -6.911 -7.224 307 HB3 PRO 44 1HB PRO 44 -22.572 -7.126 -5.951 308 HG2 PRO 44 2HG PRO 44 -22.564 -5.312 -8.273 309 HG3 PRO 44 1HG PRO 44 -23.924 -6.088 -7.450 310 HD2 PRO 44 2HD PRO 44 -23.174 -3.439 -7.161 311 HD3 PRO 44 1HD PRO 44 -24.197 -4.350 -6.031 312 H ALA 45 H ALA 45 -21.039 -4.039 -7.671 313 HA ALA 45 HA ALA 45 -18.399 -4.826 -8.522 314 HB1 ALA 45 1HB ALA 45 -20.494 -2.803 -9.235 315 HB2 ALA 45 2HB ALA 45 -19.984 -4.235 -10.130 316 HB3 ALA 45 3HB ALA 45 -18.942 -2.812 -10.072 317 H LEU 46 H LEU 46 -19.614 -1.650 -7.318 318 HA LEU 46 HA LEU 46 -17.176 -0.260 -7.249 319 HB2 LEU 46 2HB LEU 46 -19.813 -0.172 -5.962 320 HB3 LEU 46 1HB LEU 46 -18.555 0.545 -4.967 321 HG LEU 46 HG LEU 46 -19.498 2.293 -6.337 322 HD11 LEU 46 1HD1 LEU 46 -16.939 1.549 -7.752 323 HD12 LEU 46 2HD1 LEU 46 -16.954 2.141 -6.091 324 HD13 LEU 46 3HD1 LEU 46 -17.566 3.155 -7.397 325 HD21 LEU 46 3HD2 LEU 46 -18.713 0.921 -8.876 326 HD22 LEU 46 1HD2 LEU 46 -19.962 2.134 -8.597 327 HD23 LEU 46 2HD2 LEU 46 -20.228 0.464 -8.097 328 H LEU 47 H LEU 47 -18.634 -2.023 -4.501 329 HA LEU 47 HA LEU 47 -16.436 -1.853 -2.704 330 HB2 LEU 47 2HB LEU 47 -18.969 -2.767 -2.643 331 HB3 LEU 47 1HB LEU 47 -18.130 -4.308 -2.805 332 HG LEU 47 HG LEU 47 -16.604 -3.260 -0.887 333 HD11 LEU 47 1HD1 LEU 47 -17.476 -1.209 -0.356 334 HD12 LEU 47 2HD1 LEU 47 -18.573 -2.176 0.629 335 HD13 LEU 47 3HD1 LEU 47 -19.078 -1.618 -0.965 336 HD21 LEU 47 3HD2 LEU 47 -17.848 -5.366 -0.717 337 HD22 LEU 47 1HD2 LEU 47 -19.354 -4.480 -0.479 338 HD23 LEU 47 2HD2 LEU 47 -18.090 -4.417 0.749 339 H ALA 48 H ALA 48 -17.342 -4.488 -4.947 340 HA ALA 48 HA ALA 48 -15.128 -6.220 -4.530 341 HB1 ALA 48 1HB ALA 48 -15.695 -6.912 -6.902 342 HB2 ALA 48 2HB ALA 48 -16.806 -5.545 -6.960 343 HB3 ALA 48 3HB ALA 48 -17.080 -6.857 -5.813 344 H ALA 49 H ALA 49 -15.470 -3.281 -6.400 345 HA ALA 49 HA ALA 49 -13.096 -3.536 -7.999 346 HB1 ALA 49 1HB ALA 49 -13.696 -0.818 -7.551 347 HB2 ALA 49 2HB ALA 49 -15.235 -1.666 -7.444 348 HB3 ALA 49 3HB ALA 49 -14.246 -1.818 -8.892 349 H TYR 50 H TYR 50 -13.672 -1.378 -5.138 350 HA TYR 50 HA TYR 50 -10.964 -0.647 -4.734 351 HB2 TYR 50 2HB TYR 50 -13.003 0.300 -3.635 352 HB3 TYR 50 1HB TYR 50 -13.109 -1.156 -2.651 353 HD1 TYR 50 1HD TYR 50 -10.878 -1.786 -1.337 354 HD2 TYR 50 2HD TYR 50 -11.840 2.123 -2.816 355 HE1 TYR 50 1HE TYR 50 -9.289 -0.782 0.269 356 HE2 TYR 50 2HE TYR 50 -10.252 3.129 -1.217 357 HH TYR 50 HH TYR 50 -9.125 1.658 1.418 358 H GLN 51 H GLN 51 -12.741 -3.530 -3.625 359 HA GLN 51 HA GLN 51 -10.616 -4.574 -1.959 360 HB2 GLN 51 2HB GLN 51 -12.993 -5.805 -3.390 361 HB3 GLN 51 1HB GLN 51 -11.987 -6.686 -2.239 362 HG2 GLN 51 2HG GLN 51 -12.496 -4.931 -0.527 363 HG3 GLN 51 1HG GLN 51 -13.610 -4.188 -1.676 364 HE21 GLN 51 1HE2 GLN 51 -15.718 -5.032 -1.750 365 HE22 GLN 51 2HE2 GLN 51 -16.202 -6.467 -0.985 366 H SER 52 H SER 52 -11.689 -5.261 -5.305 367 HA SER 52 HA SER 52 -9.846 -7.212 -6.095 368 HB2 SER 52 2HB SER 52 -11.730 -6.286 -7.436 369 HB3 SER 52 1HB SER 52 -10.843 -4.776 -7.626 370 HG SER 52 HG SER 52 -9.995 -7.354 -8.482 371 H LYS 53 H LYS 53 -9.440 -3.683 -5.994 372 HA LYS 53 HA LYS 53 -6.682 -3.721 -6.939 373 HB2 LYS 53 2HB LYS 53 -8.775 -1.855 -6.366 374 HB3 LYS 53 1HB LYS 53 -7.386 -1.390 -5.387 375 HG2 LYS 53 2HG LYS 53 -6.366 -0.536 -7.194 376 HG3 LYS 53 1HG LYS 53 -6.441 -2.100 -8.002 377 HD2 LYS 53 2HD LYS 53 -8.965 -0.514 -7.891 378 HD3 LYS 53 1HD LYS 53 -7.695 0.060 -8.976 379 HE2 LYS 53 2HE LYS 53 -7.730 -1.903 -10.273 380 HE3 LYS 53 1HE LYS 53 -8.502 -2.848 -8.983 381 HZ1 LYS 53 3HZ LYS 53 -10.082 -2.153 -10.732 382 HZ2 LYS 53 1HZ LYS 53 -9.756 -0.530 -10.359 383 HZ3 LYS 53 2HZ LYS 53 -10.485 -1.536 -9.201 384 H LEU 54 H LEU 54 -8.349 -3.842 -3.847 385 HA LEU 54 HA LEU 54 -6.134 -3.305 -2.106 386 HB2 LEU 54 2HB LEU 54 -8.725 -3.478 -1.752 387 HB3 LEU 54 1HB LEU 54 -8.404 -5.190 -1.491 388 HG LEU 54 HG LEU 54 -6.587 -4.384 0.169 389 HD11 LEU 54 1HD1 LEU 54 -7.907 -1.874 -0.636 390 HD12 LEU 54 2HD1 LEU 54 -6.331 -2.126 0.115 391 HD13 LEU 54 3HD1 LEU 54 -7.787 -2.092 1.111 392 HD21 LEU 54 3HD2 LEU 54 -9.572 -4.292 0.527 393 HD22 LEU 54 1HD2 LEU 54 -8.521 -3.889 1.885 394 HD23 LEU 54 2HD2 LEU 54 -8.418 -5.480 1.131 395 H SER 55 H SER 55 -7.677 -6.484 -2.703 396 HA SER 55 HA SER 55 -5.735 -8.160 -1.607 397 HB2 SER 55 2HB SER 55 -7.915 -8.889 -2.443 398 HB3 SER 55 1HB SER 55 -7.438 -8.510 -4.095 399 HG SER 55 HG SER 55 -6.721 -10.636 -2.450 400 H GLU 56 H GLU 56 -5.731 -6.654 -4.822 401 HA GLU 56 HA GLU 56 -3.341 -8.049 -5.752 402 HB2 GLU 56 2HB GLU 56 -5.239 -7.009 -7.119 403 HB3 GLU 56 1HB GLU 56 -4.539 -5.439 -6.724 404 HG2 GLU 56 2HG GLU 56 -3.465 -5.879 -8.732 405 HG3 GLU 56 1HG GLU 56 -2.311 -6.574 -7.593 406 H TYR 57 H TYR 57 -4.078 -4.996 -4.150 407 HA TYR 57 HA TYR 57 -1.452 -3.815 -4.481 408 HB2 TYR 57 2HB TYR 57 -3.544 -2.559 -4.119 409 HB3 TYR 57 1HB TYR 57 -3.708 -3.289 -2.526 410 HD1 TYR 57 2HD TYR 57 -0.597 -2.045 -4.214 411 HD2 TYR 57 1HD TYR 57 -3.465 -1.499 -1.071 412 HE1 TYR 57 2HE TYR 57 0.850 -0.309 -3.188 413 HE2 TYR 57 1HE TYR 57 -2.022 0.235 -0.040 414 HH TYR 57 HH TYR 57 0.611 1.632 -1.683 415 H ASN 58 H ASN 58 -3.099 -5.191 -1.593 416 HA ASN 58 HA ASN 58 -0.952 -5.081 0.217 417 HB2 ASN 58 2HB ASN 58 -3.339 -6.852 -0.216 418 HB3 ASN 58 1HB ASN 58 -2.174 -7.312 1.026 419 HD21 ASN 58 1HD2 ASN 58 -4.133 -4.479 -0.037 420 HD22 ASN 58 2HD2 ASN 58 -4.332 -3.844 1.524 421 H LEU 59 H LEU 59 -1.728 -7.593 -2.191 422 HA LEU 59 HA LEU 59 0.532 -9.307 -1.557 423 HB2 LEU 59 2HB LEU 59 -1.714 -9.767 -2.815 424 HB3 LEU 59 1HB LEU 59 -0.895 -9.087 -4.219 425 HG LEU 59 HG LEU 59 -0.700 -11.556 -4.153 426 HD11 LEU 59 1HD1 LEU 59 2.056 -10.603 -3.509 427 HD12 LEU 59 2HD1 LEU 59 1.212 -9.833 -4.852 428 HD13 LEU 59 3HD1 LEU 59 1.493 -11.574 -4.869 429 HD21 LEU 59 3HD2 LEU 59 1.107 -11.309 -1.765 430 HD22 LEU 59 1HD2 LEU 59 0.248 -12.726 -2.370 431 HD23 LEU 59 2HD2 LEU 59 -0.633 -11.455 -1.522 432 H TYR 60 H TYR 60 -0.107 -6.608 -3.734 433 HA TYR 60 HA TYR 60 2.093 -6.609 -5.474 434 HB2 TYR 60 2HB TYR 60 0.048 -4.917 -4.705 435 HB3 TYR 60 1HB TYR 60 1.472 -4.015 -4.215 436 HD1 TYR 60 2HD TYR 60 0.357 -6.115 -7.125 437 HD2 TYR 60 1HD TYR 60 2.339 -2.560 -5.766 438 HE1 TYR 60 2HE TYR 60 0.684 -5.398 -9.472 439 HE2 TYR 60 1HE TYR 60 2.664 -1.841 -8.107 440 HH TYR 60 HH TYR 60 2.756 -3.467 -10.534 441 H ARG 61 H ARG 61 1.925 -4.997 -2.278 442 HA ARG 61 HA ARG 61 4.490 -4.008 -1.978 443 HB2 ARG 61 2HB ARG 61 2.438 -5.222 -0.185 444 HB3 ARG 61 1HB ARG 61 4.028 -4.904 0.510 445 HG2 ARG 61 2HG ARG 61 3.758 -2.643 0.421 446 HG3 ARG 61 1HG ARG 61 2.935 -2.705 -1.139 447 HD2 ARG 61 2HD ARG 61 1.385 -1.940 0.638 448 HD3 ARG 61 1HD ARG 61 0.873 -3.520 0.013 449 HE ARG 61 HE ARG 61 2.603 -4.177 2.067 450 HH11 ARG 61 1HH2 ARG 61 -0.222 -2.156 1.809 451 HH12 ARG 61 2HH2 ARG 61 -0.695 -2.420 3.451 452 HH21 ARG 61 1HH1 ARG 61 1.967 -4.504 4.192 453 HH22 ARG 61 2HH1 ARG 61 0.534 -3.739 4.792 454 H ASN 62 H ASN 62 3.517 -7.405 -1.397 455 HA ASN 62 HA ASN 62 6.234 -8.222 -0.668 456 HB2 ASN 62 2HB ASN 62 3.681 -9.721 -1.346 457 HB3 ASN 62 1HB ASN 62 5.133 -10.476 -0.688 458 HD21 ASN 62 1HD2 ASN 62 2.254 -8.751 0.147 459 HD22 ASN 62 2HD2 ASN 62 2.597 -8.547 1.797 460 H ALA 63 H ALA 63 4.052 -9.003 -3.412 461 HA ALA 63 HA ALA 63 5.815 -10.457 -5.028 462 HB1 ALA 63 1HB ALA 63 3.479 -10.220 -5.545 463 HB2 ALA 63 2HB ALA 63 4.365 -9.505 -6.894 464 HB3 ALA 63 3HB ALA 63 3.626 -8.466 -5.674 465 H GLN 64 H GLN 64 5.116 -6.990 -5.618 466 HA GLN 64 HA GLN 64 7.179 -6.426 -7.419 467 HB2 GLN 64 2HB GLN 64 5.538 -4.950 -5.438 468 HB3 GLN 64 1HB GLN 64 6.983 -4.110 -5.999 469 HG2 GLN 64 2HG GLN 64 4.886 -5.334 -7.817 470 HG3 GLN 64 1HG GLN 64 4.995 -3.619 -7.420 471 HE21 GLN 64 1HE2 GLN 64 7.744 -3.141 -7.567 472 HE22 GLN 64 2HE2 GLN 64 8.302 -3.450 -9.140 473 H SER 65 H SER 65 7.393 -6.734 -3.909 474 HA SER 65 HA SER 65 10.084 -5.629 -3.687 475 HB2 SER 65 2HB SER 65 8.160 -7.168 -1.954 476 HB3 SER 65 1HB SER 65 9.814 -6.898 -1.410 477 HG SER 65 HG SER 65 8.160 -5.261 -0.845 478 H ASN 66 H ASN 66 8.680 -8.837 -4.146 479 HA ASN 66 HA ASN 66 11.270 -10.207 -3.809 480 HB2 ASN 66 2HB ASN 66 8.963 -11.052 -3.120 481 HB3 ASN 66 1HB ASN 66 8.628 -11.274 -4.838 482 HD21 ASN 66 1HD2 ASN 66 11.395 -12.023 -2.624 483 HD22 ASN 66 2HD2 ASN 66 11.610 -13.604 -3.202 484 H THR 67 H THR 67 9.277 -8.948 -6.407 485 HA THR 67 HA THR 67 10.682 -10.453 -8.512 486 HB THR 67 HB THR 67 9.180 -9.081 -9.957 487 HG1 THR 67 1HG THR 67 8.666 -7.235 -9.128 488 HG21 THR 67 3HG2 THR 67 8.276 -11.134 -9.060 489 HG22 THR 67 1HG2 THR 67 7.024 -9.897 -8.947 490 HG23 THR 67 2HG2 THR 67 7.937 -10.361 -7.511 491 H ALA 68 H ALA 68 10.540 -7.072 -7.344 492 HA ALA 68 HA ALA 68 12.290 -5.912 -9.271 493 HB1 ALA 68 1HB ALA 68 10.783 -4.853 -7.481 494 HB2 ALA 68 2HB ALA 68 12.354 -4.090 -7.725 495 HB3 ALA 68 3HB ALA 68 12.098 -5.159 -6.346 496 H LYS 69 H LYS 69 12.987 -7.525 -6.171 497 HA LYS 69 HA LYS 69 15.753 -6.971 -5.942 498 HB2 LYS 69 2HB LYS 69 14.038 -8.197 -4.407 499 HB3 LYS 69 1HB LYS 69 14.517 -9.646 -5.291 500 HG2 LYS 69 2HG LYS 69 16.960 -8.758 -4.756 501 HG3 LYS 69 1HG LYS 69 16.129 -7.941 -3.433 502 HD2 LYS 69 2HD LYS 69 15.509 -9.930 -2.407 503 HD3 LYS 69 1HD LYS 69 15.557 -10.842 -3.916 504 HE2 LYS 69 2HE LYS 69 17.541 -11.609 -3.012 505 HE3 LYS 69 1HE LYS 69 18.170 -10.114 -3.733 506 HZ1 LYS 69 3HZ LYS 69 18.719 -10.269 -1.365 507 HZ2 LYS 69 1HZ LYS 69 17.070 -10.359 -0.983 508 HZ3 LYS 69 2HZ LYS 69 17.701 -8.947 -1.684 509 H ALA 70 H ALA 70 14.273 -9.915 -7.375 510 HA ALA 70 HA ALA 70 16.703 -10.965 -8.467 511 HB1 ALA 70 1HB ALA 70 13.837 -11.284 -9.420 512 HB2 ALA 70 2HB ALA 70 14.545 -12.176 -8.073 513 HB3 ALA 70 3HB ALA 70 15.162 -12.411 -9.708 514 H PHE 71 H PHE 71 14.383 -8.603 -9.662 515 HA PHE 71 HA PHE 71 15.108 -8.578 -12.424 516 HB2 PHE 71 2HB PHE 71 13.339 -7.291 -10.728 517 HB3 PHE 71 1HB PHE 71 14.429 -5.987 -11.197 518 HD1 PHE 71 2HD PHE 71 14.929 -5.689 -13.708 519 HD2 PHE 71 1HD PHE 71 11.664 -8.040 -12.204 520 HE1 PHE 71 2HE PHE 71 13.807 -5.542 -15.915 521 HE2 PHE 71 1HE PHE 71 10.541 -7.892 -14.411 522 HZ PHE 71 HZ PHE 71 11.613 -6.643 -16.266 523 H LYS 72 H LYS 72 16.128 -6.249 -9.887 524 HA LYS 72 HA LYS 72 18.183 -5.017 -11.441 525 HB2 LYS 72 2HB LYS 72 18.905 -4.153 -9.229 526 HB3 LYS 72 1HB LYS 72 17.153 -4.075 -9.405 527 HG2 LYS 72 2HG LYS 72 16.854 -6.056 -8.062 528 HG3 LYS 72 1HG LYS 72 18.589 -6.374 -8.052 529 HD2 LYS 72 2HD LYS 72 18.712 -3.949 -7.009 530 HD3 LYS 72 1HD LYS 72 17.038 -4.284 -6.565 531 HE2 LYS 72 2HE LYS 72 17.754 -6.372 -5.436 532 HE3 LYS 72 1HE LYS 72 19.439 -6.011 -5.858 533 HZ1 LYS 72 3HZ LYS 72 17.625 -4.269 -4.274 534 HZ2 LYS 72 1HZ LYS 72 19.208 -3.869 -4.732 535 HZ3 LYS 72 2HZ LYS 72 18.935 -5.159 -3.661 536 H ASP 73 H ASP 73 18.159 -7.974 -9.547 537 HA ASP 73 HA ASP 73 21.052 -8.258 -9.366 538 HB2 ASP 73 2HB ASP 73 19.311 -9.255 -7.842 539 HB3 ASP 73 1HB ASP 73 18.851 -10.335 -9.160 540 H ILE 74 H ILE 74 18.581 -10.048 -11.261 541 HA ILE 74 HA ILE 74 20.228 -11.644 -12.852 542 HB ILE 74 HB ILE 74 17.675 -10.147 -13.536 543 HG12 ILE 74 2HG1 ILE 74 17.897 -13.063 -12.838 544 HG13 ILE 74 1HG1 ILE 74 17.907 -11.863 -11.546 545 HG21 ILE 74 1HG2 ILE 74 19.300 -12.134 -15.046 546 HG22 ILE 74 2HG2 ILE 74 18.216 -10.879 -15.646 547 HG23 ILE 74 3HG2 ILE 74 17.554 -12.393 -15.030 548 HD11 ILE 74 3HD1 ILE 74 15.808 -10.891 -12.729 549 HD12 ILE 74 1HD1 ILE 74 15.620 -12.372 -11.789 550 HD13 ILE 74 2HD1 ILE 74 15.734 -12.452 -13.547 551 H ASP 75 H ASP 75 19.364 -8.226 -13.403 552 HA ASP 75 HA ASP 75 20.554 -7.863 -15.958 553 HB2 ASP 75 2HB ASP 75 20.040 -6.133 -13.542 554 HB3 ASP 75 1HB ASP 75 20.832 -5.459 -14.967 555 H ALA 76 H ALA 76 21.963 -7.720 -12.698 556 HA ALA 76 HA ALA 76 24.535 -6.717 -13.292 557 HB1 ALA 76 1HB ALA 76 23.408 -7.256 -11.066 558 HB2 ALA 76 2HB ALA 76 25.116 -7.680 -11.172 559 HB3 ALA 76 3HB ALA 76 23.885 -8.933 -11.334 560 H ALA 77 H ALA 77 23.149 -9.842 -14.042 561 HA ALA 77 HA ALA 77 25.804 -11.030 -14.634 562 HB1 ALA 77 1HB ALA 77 24.278 -12.472 -13.515 563 HB2 ALA 77 2HB ALA 77 24.221 -12.995 -15.198 564 HB3 ALA 77 3HB ALA 77 22.935 -11.979 -14.546 565 H ILE 78 H ILE 78 23.135 -9.469 -16.252 566 HA ILE 78 HA ILE 78 23.613 -10.621 -18.884 567 HB ILE 78 HB ILE 78 22.188 -8.092 -17.994 568 HG12 ILE 78 2HG1 ILE 78 21.042 -10.841 -18.574 569 HG13 ILE 78 1HG1 ILE 78 21.407 -10.266 -16.947 570 HG21 ILE 78 1HG2 ILE 78 22.445 -7.906 -20.323 571 HG22 ILE 78 2HG2 ILE 78 20.875 -8.695 -20.162 572 HG23 ILE 78 3HG2 ILE 78 22.303 -9.647 -20.571 573 HD11 ILE 78 3HD1 ILE 78 19.231 -9.551 -17.038 574 HD12 ILE 78 1HD1 ILE 78 19.229 -9.452 -18.799 575 HD13 ILE 78 2HD1 ILE 78 19.966 -8.165 -17.845 576 H ILE 79 H ILE 79 25.347 -8.350 -17.038 577 HA ILE 79 HA ILE 79 26.436 -7.031 -19.496 578 HB ILE 79 HB ILE 79 26.469 -6.226 -16.566 579 HG12 ILE 79 2HG1 ILE 79 24.893 -5.131 -18.924 580 HG13 ILE 79 1HG1 ILE 79 24.227 -6.148 -17.647 581 HG21 ILE 79 1HG2 ILE 79 27.521 -4.214 -17.231 582 HG22 ILE 79 2HG2 ILE 79 27.152 -4.483 -18.935 583 HG23 ILE 79 3HG2 ILE 79 28.387 -5.456 -18.136 584 HD11 ILE 79 3HD1 ILE 79 25.150 -4.347 -16.020 585 HD12 ILE 79 1HD1 ILE 79 23.694 -3.961 -16.939 586 HD13 ILE 79 2HD1 ILE 79 25.256 -3.320 -17.450 587 H GLN 80 H GLN 80 27.242 -8.850 -16.581 588 HA GLN 80 HA GLN 80 30.144 -8.794 -17.234 589 HB2 GLN 80 2HB GLN 80 28.410 -9.702 -14.933 590 HB3 GLN 80 1HB GLN 80 30.104 -10.183 -15.028 591 HG2 GLN 80 2HG GLN 80 30.425 -7.569 -15.492 592 HG3 GLN 80 1HG GLN 80 28.924 -7.480 -14.570 593 HE21 GLN 80 1HE2 GLN 80 28.956 -8.409 -12.343 594 HE22 GLN 80 2HE2 GLN 80 30.428 -8.551 -11.509 595 H ASN 81 H ASN 81 27.347 -10.930 -17.199 596 HA ASN 81 HA ASN 81 29.023 -13.159 -18.310 597 HB2 ASN 81 2HB ASN 81 26.707 -12.940 -16.441 598 HB3 ASN 81 1HB ASN 81 26.729 -14.340 -17.514 599 HD21 ASN 81 1HD2 ASN 81 27.240 -14.177 -14.518 600 HD22 ASN 81 2HD2 ASN 81 28.765 -14.889 -14.301 601 H PHE 82 H PHE 82 26.780 -10.800 -19.165 602 HA PHE 82 HA PHE 82 25.471 -10.426 -21.044 603 HB2 PHE 82 2HB PHE 82 26.403 -11.189 -22.984 604 HB3 PHE 82 1HB PHE 82 27.674 -11.726 -21.903 605 HD1 PHE 82 2HD PHE 82 24.395 -12.955 -23.303 606 HD2 PHE 82 1HD PHE 82 28.400 -13.936 -22.092 607 HE1 PHE 82 2HE PHE 82 24.068 -15.279 -24.099 608 HE2 PHE 82 1HE PHE 82 28.074 -16.256 -22.902 609 HZ PHE 82 HZ PHE 82 25.908 -16.929 -23.900 610 H ARG 83 H ARG 83 25.235 -13.439 -19.346 611 HA ARG 83 HA ARG 83 23.489 -14.992 -19.120 612 HB2 ARG 83 2HB ARG 83 22.299 -12.232 -19.264 613 HB3 ARG 83 1HB ARG 83 21.304 -13.638 -18.883 614 HG2 ARG 83 2HG ARG 83 23.819 -12.852 -17.389 615 HG3 ARG 83 1HG ARG 83 22.179 -12.511 -16.838 616 HD2 ARG 83 2HD ARG 83 22.054 -15.220 -17.375 617 HD3 ARG 83 1HD ARG 83 23.694 -15.030 -16.724 618 HE ARG 83 HE ARG 83 22.749 -14.434 -14.645 619 HH11 ARG 83 1HH2 ARG 83 20.383 -14.161 -17.189 620 HH12 ARG 83 2HH2 ARG 83 19.085 -13.835 -16.095 621 HH21 ARG 83 1HH1 ARG 83 21.046 -14.009 -13.249 622 HH22 ARG 83 2HH1 ARG 83 19.454 -13.749 -13.881 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 18.336 -2.706 -28.157 2 H2 GLY 1 2HT GLY 1 16.951 -2.595 -29.134 3 H3 GLY 1 3HT GLY 1 17.985 -3.936 -29.270 4 HA2 GLY 1 2HA GLY 1 15.993 -4.528 -28.047 5 HA3 GLY 1 1HA GLY 1 17.426 -4.630 -27.024 6 H SER 2 H SER 2 14.889 -2.298 -27.981 7 HA SER 2 HA SER 2 15.263 -0.819 -25.439 8 HB2 SER 2 2HB SER 2 14.882 0.091 -27.862 9 HB3 SER 2 1HB SER 2 13.191 -0.298 -27.566 10 HG SER 2 HG SER 2 14.306 1.880 -26.898 11 H HIS 3 H HIS 3 14.472 -2.800 -24.196 12 HA HIS 3 HA HIS 3 11.472 -2.932 -24.192 13 HB2 HIS 3 2HB HIS 3 13.588 -5.010 -23.543 14 HB3 HIS 3 1HB HIS 3 11.852 -5.265 -23.356 15 HD1 HIS 3 1HD HIS 3 14.196 -6.360 -25.568 16 HD2 HIS 3 2HD HIS 3 10.754 -4.094 -26.192 17 HE1 HIS 3 1HE HIS 3 13.580 -6.651 -28.008 18 H MET 4 H MET 4 12.735 -0.926 -22.699 19 HA MET 4 HA MET 4 12.922 -0.073 -20.503 20 HB2 MET 4 2HB MET 4 10.551 -1.288 -20.817 21 HB3 MET 4 1HB MET 4 11.204 -2.321 -19.545 22 HG2 MET 4 2HG MET 4 11.565 -0.412 -18.098 23 HG3 MET 4 1HG MET 4 11.119 0.705 -19.388 24 HE1 MET 4 3HE MET 4 7.540 0.242 -20.084 25 HE2 MET 4 1HE MET 4 9.176 0.589 -20.661 26 HE3 MET 4 2HE MET 4 8.420 1.637 -19.463 27 H ALA 5 H ALA 5 15.223 -1.060 -20.672 28 HA ALA 5 HA ALA 5 15.798 -2.503 -18.207 29 HB1 ALA 5 1HB ALA 5 16.783 -4.480 -19.468 30 HB2 ALA 5 2HB ALA 5 15.980 -3.862 -20.911 31 HB3 ALA 5 3HB ALA 5 15.024 -4.374 -19.520 32 H THR 6 H THR 6 17.233 -0.676 -17.943 33 HA THR 6 HA THR 6 19.438 -0.369 -19.919 34 HB THR 6 HB THR 6 19.890 1.646 -18.403 35 HG1 THR 6 1HG THR 6 18.039 2.140 -17.068 36 HG21 THR 6 3HG2 THR 6 18.647 1.870 -20.496 37 HG22 THR 6 1HG2 THR 6 17.911 2.884 -19.255 38 HG23 THR 6 2HG2 THR 6 17.165 1.348 -19.696 39 HA PRO 7 HA PRO 7 22.244 -2.604 -17.347 40 HB2 PRO 7 2HB PRO 7 24.604 -1.374 -18.042 41 HB3 PRO 7 1HB PRO 7 23.781 -2.567 -19.063 42 HG2 PRO 7 2HG PRO 7 23.827 0.395 -19.276 43 HG3 PRO 7 1HG PRO 7 23.815 -0.831 -20.552 44 HD2 PRO 7 2HD PRO 7 21.615 0.603 -19.811 45 HD3 PRO 7 1HD PRO 7 21.538 -1.022 -20.526 46 H TRP 8 H TRP 8 23.844 -2.212 -15.552 47 HA TRP 8 HA TRP 8 24.034 -1.280 -13.373 48 HB2 TRP 8 2HB TRP 8 25.162 1.131 -13.813 49 HB3 TRP 8 1HB TRP 8 26.014 -0.383 -14.069 50 HD1 TRP 8 HD TRP 8 24.020 2.261 -16.048 51 HE1 TRP 8 1HE TRP 8 24.872 2.255 -18.480 52 HE3 TRP 8 3HE TRP 8 27.298 -1.646 -15.823 53 HZ2 TRP 8 2HZ TRP 8 26.706 0.787 -20.114 54 HZ3 TRP 8 3HZ TRP 8 28.588 -2.323 -17.829 55 HH2 TRP 8 HH TRP 8 28.296 -1.111 -19.972 56 H SER 9 H SER 9 21.337 -0.893 -14.263 57 HA SER 9 HA SER 9 20.746 1.716 -12.912 58 HB2 SER 9 2HB SER 9 20.252 2.246 -15.117 59 HB3 SER 9 1HB SER 9 19.890 0.578 -15.544 60 HG SER 9 HG SER 9 18.202 2.506 -14.906 61 H GLY 10 H GLY 10 18.403 -0.588 -14.234 62 HA2 GLY 10 2HA GLY 10 16.851 -1.992 -13.186 63 HA3 GLY 10 1HA GLY 10 17.959 -2.070 -11.815 64 H TYR 11 H TYR 11 17.979 -0.061 -10.420 65 HA TYR 11 HA TYR 11 15.185 0.703 -9.821 66 HB2 TYR 11 2HB TYR 11 17.825 0.602 -8.471 67 HB3 TYR 11 1HB TYR 11 16.733 1.870 -7.916 68 HD1 TYR 11 2HD TYR 11 16.475 -1.735 -8.953 69 HD2 TYR 11 1HD TYR 11 15.373 1.303 -6.122 70 HE1 TYR 11 2HE TYR 11 15.184 -3.410 -7.658 71 HE2 TYR 11 1HE TYR 11 14.082 -0.372 -4.827 72 HH TYR 11 HH TYR 11 12.899 -2.733 -5.543 73 H LEU 12 H LEU 12 17.909 2.076 -11.441 74 HA LEU 12 HA LEU 12 17.634 4.845 -10.875 75 HB2 LEU 12 2HB LEU 12 18.735 3.095 -12.990 76 HB3 LEU 12 1HB LEU 12 18.377 4.740 -13.511 77 HG LEU 12 HG LEU 12 19.646 5.535 -11.450 78 HD11 LEU 12 1HD1 LEU 12 21.409 3.577 -10.900 79 HD12 LEU 12 2HD1 LEU 12 20.002 2.583 -11.271 80 HD13 LEU 12 3HD1 LEU 12 19.917 3.786 -9.984 81 HD21 LEU 12 3HD2 LEU 12 20.881 4.085 -13.778 82 HD22 LEU 12 1HD2 LEU 12 21.920 4.781 -12.535 83 HD23 LEU 12 2HD2 LEU 12 20.827 5.817 -13.452 84 H ASP 13 H ASP 13 15.656 2.712 -12.842 85 HA ASP 13 HA ASP 13 13.553 4.721 -13.074 86 HB2 ASP 13 2HB ASP 13 15.326 5.379 -14.765 87 HB3 ASP 13 1HB ASP 13 14.998 3.857 -15.596 88 H ASP 14 H ASP 14 14.898 1.670 -14.333 89 HA ASP 14 HA ASP 14 12.589 0.483 -15.415 90 HB2 ASP 14 2HB ASP 14 15.161 -0.364 -14.237 91 HB3 ASP 14 1HB ASP 14 13.915 -1.612 -14.289 92 H VAL 15 H VAL 15 13.789 -0.707 -12.350 93 HA VAL 15 HA VAL 15 11.389 -1.792 -11.394 94 HB VAL 15 HB VAL 15 13.644 -0.496 -9.841 95 HG11 VAL 15 1HG1 VAL 15 12.963 -2.586 -8.366 96 HG12 VAL 15 2HG1 VAL 15 11.416 -2.366 -9.184 97 HG13 VAL 15 3HG1 VAL 15 12.103 -1.054 -8.226 98 HG21 VAL 15 3HG2 VAL 15 13.724 -2.607 -11.738 99 HG22 VAL 15 1HG2 VAL 15 13.842 -3.364 -10.150 100 HG23 VAL 15 2HG2 VAL 15 15.000 -2.122 -10.622 101 H SER 16 H SER 16 12.687 1.474 -10.932 102 HA SER 16 HA SER 16 10.854 2.504 -9.064 103 HB2 SER 16 2HB SER 16 12.744 3.767 -9.669 104 HB3 SER 16 1HB SER 16 12.415 3.599 -11.391 105 HG SER 16 HG SER 16 10.857 5.057 -9.507 106 H ALA 17 H ALA 17 10.460 2.019 -12.563 107 HA ALA 17 HA ALA 17 7.994 3.514 -12.834 108 HB1 ALA 17 1HB ALA 17 7.873 2.211 -14.970 109 HB2 ALA 17 2HB ALA 17 9.216 1.217 -14.404 110 HB3 ALA 17 3HB ALA 17 9.460 2.937 -14.714 111 H LYS 18 H LYS 18 8.798 0.183 -12.008 112 HA LYS 18 HA LYS 18 5.969 -0.670 -11.938 113 HB2 LYS 18 2HB LYS 18 8.589 -2.004 -11.167 114 HB3 LYS 18 1HB LYS 18 7.028 -2.822 -11.249 115 HG2 LYS 18 2HG LYS 18 8.001 -1.293 -13.641 116 HG3 LYS 18 1HG LYS 18 8.656 -2.899 -13.320 117 HD2 LYS 18 2HD LYS 18 5.698 -2.593 -13.148 118 HD3 LYS 18 1HD LYS 18 6.416 -2.533 -14.759 119 HE2 LYS 18 2HE LYS 18 7.742 -4.677 -13.819 120 HE3 LYS 18 1HE LYS 18 6.263 -4.816 -12.845 121 HZ1 LYS 18 3HZ LYS 18 5.885 -5.899 -14.932 122 HZ2 LYS 18 1HZ LYS 18 6.434 -4.548 -15.798 123 HZ3 LYS 18 2HZ LYS 18 4.984 -4.458 -14.918 124 H PHE 19 H PHE 19 8.486 0.461 -9.789 125 HA PHE 19 HA PHE 19 7.073 -0.318 -7.328 126 HB2 PHE 19 2HB PHE 19 9.662 0.850 -8.188 127 HB3 PHE 19 1HB PHE 19 9.084 1.386 -6.611 128 HD1 PHE 19 1HD PHE 19 9.151 -1.827 -8.557 129 HD2 PHE 19 2HD PHE 19 9.865 0.147 -4.812 130 HE1 PHE 19 1HE PHE 19 9.867 -3.979 -7.560 131 HE2 PHE 19 2HE PHE 19 10.584 -2.006 -3.813 132 HZ PHE 19 HZ PHE 19 10.585 -4.069 -5.187 133 H ASP 20 H ASP 20 8.381 2.863 -8.307 134 HA ASP 20 HA ASP 20 6.631 4.420 -6.724 135 HB2 ASP 20 2HB ASP 20 8.717 5.211 -7.758 136 HB3 ASP 20 1HB ASP 20 8.000 5.056 -9.360 137 H THR 21 H THR 21 6.355 4.711 -10.264 138 HA THR 21 HA THR 21 3.666 5.485 -10.347 139 HB THR 21 HB THR 21 5.185 3.773 -12.338 140 HG1 THR 21 1HG THR 21 6.423 5.453 -12.396 141 HG21 THR 21 3HG2 THR 21 2.814 5.636 -12.577 142 HG22 THR 21 1HG2 THR 21 2.885 3.923 -12.991 143 HG23 THR 21 2HG2 THR 21 3.760 5.103 -13.967 144 H GLY 22 H GLY 22 4.924 2.144 -10.713 145 HA2 GLY 22 2HA GLY 22 2.472 0.813 -11.069 146 HA3 GLY 22 1HA GLY 22 3.883 0.080 -10.316 147 H VAL 23 H VAL 23 4.186 0.641 -7.942 148 HA VAL 23 HA VAL 23 1.901 -0.147 -6.457 149 HB VAL 23 HB VAL 23 4.373 1.351 -5.559 150 HG11 VAL 23 1HG1 VAL 23 2.774 -0.654 -3.982 151 HG12 VAL 23 2HG1 VAL 23 2.356 1.059 -3.964 152 HG13 VAL 23 3HG1 VAL 23 3.938 0.531 -3.389 153 HG21 VAL 23 3HG2 VAL 23 3.808 -1.527 -6.234 154 HG22 VAL 23 1HG2 VAL 23 5.035 -1.128 -5.032 155 HG23 VAL 23 2HG2 VAL 23 5.198 -0.540 -6.686 156 H ASP 24 H ASP 24 3.230 3.147 -6.979 157 HA ASP 24 HA ASP 24 1.436 4.540 -5.243 158 HB2 ASP 24 2HB ASP 24 3.500 5.412 -6.429 159 HB3 ASP 24 1HB ASP 24 2.548 5.466 -7.913 160 H ASN 25 H ASN 25 1.121 3.450 -8.607 161 HA ASN 25 HA ASN 25 -1.396 4.710 -9.182 162 HB2 ASN 25 2HB ASN 25 0.225 2.410 -10.231 163 HB3 ASN 25 1HB ASN 25 -1.430 2.605 -10.803 164 HD21 ASN 25 1HD2 ASN 25 -0.699 3.247 -12.963 165 HD22 ASN 25 2HD2 ASN 25 0.002 4.768 -13.236 166 H LEU 26 H LEU 26 -0.532 1.499 -7.856 167 HA LEU 26 HA LEU 26 -3.266 0.563 -7.624 168 HB2 LEU 26 2HB LEU 26 -0.631 -0.391 -7.210 169 HB3 LEU 26 1HB LEU 26 -1.449 -0.554 -5.659 170 HG LEU 26 HG LEU 26 -2.501 -1.584 -8.300 171 HD11 LEU 26 1HD1 LEU 26 -0.949 -3.194 -7.871 172 HD12 LEU 26 2HD1 LEU 26 -2.163 -3.767 -6.729 173 HD13 LEU 26 3HD1 LEU 26 -0.829 -2.761 -6.168 174 HD21 LEU 26 3HD2 LEU 26 -3.727 -1.147 -5.688 175 HD22 LEU 26 1HD2 LEU 26 -3.834 -2.833 -6.194 176 HD23 LEU 26 2HD2 LEU 26 -4.488 -1.561 -7.225 177 H GLN 27 H GLN 27 -1.088 2.376 -5.480 178 HA GLN 27 HA GLN 27 -2.727 2.189 -3.108 179 HB2 GLN 27 2HB GLN 27 -0.207 2.975 -3.689 180 HB3 GLN 27 1HB GLN 27 -0.987 4.555 -3.613 181 HG2 GLN 27 2HG GLN 27 -1.759 4.158 -1.371 182 HG3 GLN 27 1HG GLN 27 -1.277 2.463 -1.444 183 HE21 GLN 27 1HE2 GLN 27 -0.326 5.046 0.160 184 HE22 GLN 27 2HE2 GLN 27 1.363 4.911 0.078 185 H THR 28 H THR 28 -2.585 4.440 -5.843 186 HA THR 28 HA THR 28 -4.594 6.227 -4.625 187 HB THR 28 HB THR 28 -2.634 6.981 -6.034 188 HG1 THR 28 1HG THR 28 -5.179 7.588 -7.119 189 HG21 THR 28 3HG2 THR 28 -4.256 5.664 -8.233 190 HG22 THR 28 1HG2 THR 28 -2.628 5.225 -7.715 191 HG23 THR 28 2HG2 THR 28 -2.914 6.772 -8.510 192 H GLN 29 H GLN 29 -4.455 3.534 -6.872 193 HA GLN 29 HA GLN 29 -6.876 3.912 -8.300 194 HB2 GLN 29 2HB GLN 29 -4.886 1.897 -7.861 195 HB3 GLN 29 1HB GLN 29 -6.463 1.143 -7.688 196 HG2 GLN 29 2HG GLN 29 -5.497 2.768 -10.059 197 HG3 GLN 29 1HG GLN 29 -5.784 1.030 -10.026 198 HE21 GLN 29 1HE2 GLN 29 -8.301 1.474 -8.312 199 HE22 GLN 29 2HE2 GLN 29 -9.464 2.029 -9.413 200 H VAL 30 H VAL 30 -6.333 2.092 -5.237 201 HA VAL 30 HA VAL 30 -9.132 1.510 -4.862 202 HB VAL 30 HB VAL 30 -8.299 1.354 -2.359 203 HG11 VAL 30 1HG1 VAL 30 -6.879 -0.668 -3.939 204 HG12 VAL 30 2HG1 VAL 30 -8.544 -0.404 -4.458 205 HG13 VAL 30 3HG1 VAL 30 -8.202 -0.857 -2.788 206 HG21 VAL 30 3HG2 VAL 30 -5.629 0.906 -3.590 207 HG22 VAL 30 1HG2 VAL 30 -6.044 1.405 -1.951 208 HG23 VAL 30 2HG2 VAL 30 -6.097 2.576 -3.269 209 H THR 31 H THR 31 -7.120 4.304 -4.150 210 HA THR 31 HA THR 31 -8.861 5.649 -2.309 211 HB THR 31 HB THR 31 -7.255 6.977 -4.508 212 HG1 THR 31 1HG THR 31 -5.496 6.736 -2.932 213 HG21 THR 31 3HG2 THR 31 -6.713 8.372 -2.315 214 HG22 THR 31 1HG2 THR 31 -8.224 7.652 -1.760 215 HG23 THR 31 2HG2 THR 31 -8.204 8.647 -3.216 216 H GLU 32 H GLU 32 -8.640 5.624 -5.873 217 HA GLU 32 HA GLU 32 -10.941 7.273 -6.411 218 HB2 GLU 32 2HB GLU 32 -9.757 4.922 -7.948 219 HB3 GLU 32 1HB GLU 32 -10.828 6.147 -8.623 220 HG2 GLU 32 2HG GLU 32 -8.095 6.686 -7.436 221 HG3 GLU 32 1HG GLU 32 -8.457 6.602 -9.160 222 H ALA 33 H ALA 33 -10.433 3.756 -6.189 223 HA ALA 33 HA ALA 33 -13.078 2.818 -6.473 224 HB1 ALA 33 1HB ALA 33 -10.848 1.556 -6.252 225 HB2 ALA 33 2HB ALA 33 -12.204 0.841 -5.383 226 HB3 ALA 33 3HB ALA 33 -10.998 1.782 -4.512 227 H LEU 34 H LEU 34 -11.531 4.503 -3.818 228 HA LEU 34 HA LEU 34 -13.513 3.879 -1.777 229 HB2 LEU 34 2HB LEU 34 -11.013 4.782 -1.707 230 HB3 LEU 34 1HB LEU 34 -11.805 6.355 -1.804 231 HG LEU 34 HG LEU 34 -13.285 5.557 0.133 232 HD11 LEU 34 1HD1 LEU 34 -12.651 3.671 1.377 233 HD12 LEU 34 2HD1 LEU 34 -11.032 3.637 0.679 234 HD13 LEU 34 3HD1 LEU 34 -12.418 3.127 -0.284 235 HD21 LEU 34 3HD2 LEU 34 -11.665 7.200 0.653 236 HD22 LEU 34 1HD2 LEU 34 -10.323 6.096 0.355 237 HD23 LEU 34 2HD2 LEU 34 -11.321 5.902 1.795 238 H ASP 35 H ASP 35 -12.766 6.896 -3.567 239 HA ASP 35 HA ASP 35 -15.158 8.299 -2.853 240 HB2 ASP 35 2HB ASP 35 -12.839 8.870 -4.132 241 HB3 ASP 35 1HB ASP 35 -13.911 8.731 -5.526 242 H LYS 36 H LYS 36 -14.466 5.871 -5.282 243 HA LYS 36 HA LYS 36 -16.945 6.259 -6.794 244 HB2 LYS 36 2HB LYS 36 -14.422 4.996 -7.083 245 HB3 LYS 36 1HB LYS 36 -15.609 3.710 -7.141 246 HG2 LYS 36 2HG LYS 36 -16.222 4.305 -9.224 247 HG3 LYS 36 1HG LYS 36 -16.535 5.959 -8.701 248 HD2 LYS 36 2HD LYS 36 -14.793 5.885 -10.462 249 HD3 LYS 36 1HD LYS 36 -14.145 6.505 -8.944 250 HE2 LYS 36 2HE LYS 36 -12.680 4.777 -8.762 251 HE3 LYS 36 1HE LYS 36 -13.935 3.580 -9.139 252 HZ1 LYS 36 3HZ LYS 36 -12.534 5.330 -11.094 253 HZ2 LYS 36 1HZ LYS 36 -13.803 4.271 -11.475 254 HZ3 LYS 36 2HZ LYS 36 -12.321 3.653 -10.920 255 H LEU 37 H LEU 37 -15.660 4.087 -4.293 256 HA LEU 37 HA LEU 37 -17.796 2.197 -4.205 257 HB2 LEU 37 2HB LEU 37 -15.867 1.619 -3.002 258 HB3 LEU 37 1HB LEU 37 -15.680 3.237 -2.336 259 HG LEU 37 HG LEU 37 -17.581 2.873 -0.831 260 HD11 LEU 37 1HD1 LEU 37 -17.707 0.077 -1.999 261 HD12 LEU 37 2HD1 LEU 37 -18.846 1.369 -2.382 262 HD13 LEU 37 3HD1 LEU 37 -18.746 0.739 -0.737 263 HD21 LEU 37 3HD2 LEU 37 -15.144 1.908 -0.445 264 HD22 LEU 37 1HD2 LEU 37 -15.980 0.358 -0.536 265 HD23 LEU 37 2HD2 LEU 37 -16.443 1.539 0.689 266 H ALA 38 H ALA 38 -17.224 4.973 -2.025 267 HA ALA 38 HA ALA 38 -19.815 4.970 -0.824 268 HB1 ALA 38 1HB ALA 38 -19.124 7.176 -0.049 269 HB2 ALA 38 2HB ALA 38 -17.928 7.289 -1.341 270 HB3 ALA 38 3HB ALA 38 -17.721 6.110 -0.045 271 H ALA 39 H ALA 39 -18.707 6.059 -3.941 272 HA ALA 39 HA ALA 39 -20.617 8.040 -4.647 273 HB1 ALA 39 1HB ALA 39 -18.536 6.727 -5.825 274 HB2 ALA 39 2HB ALA 39 -19.685 7.704 -6.736 275 HB3 ALA 39 3HB ALA 39 -19.889 5.955 -6.646 276 H LYS 40 H LYS 40 -20.717 4.578 -5.459 277 HA LYS 40 HA LYS 40 -23.630 4.661 -5.906 278 HB2 LYS 40 2HB LYS 40 -21.294 3.044 -6.588 279 HB3 LYS 40 1HB LYS 40 -22.624 2.028 -6.036 280 HG2 LYS 40 2HG LYS 40 -22.777 2.351 -8.455 281 HG3 LYS 40 1HG LYS 40 -24.128 3.161 -7.661 282 HD2 LYS 40 2HD LYS 40 -22.838 5.300 -7.743 283 HD3 LYS 40 1HD LYS 40 -21.577 4.466 -8.653 284 HE2 LYS 40 2HE LYS 40 -22.962 5.510 -10.308 285 HE3 LYS 40 1HE LYS 40 -23.460 3.806 -10.304 286 HZ1 LYS 40 3HZ LYS 40 -25.260 4.290 -8.862 287 HZ2 LYS 40 1HZ LYS 40 -25.332 5.438 -10.110 288 HZ3 LYS 40 2HZ LYS 40 -24.715 5.877 -8.588 289 HA PRO 41 HA PRO 41 -24.660 3.428 -1.771 290 HB2 PRO 41 2HB PRO 41 -26.798 1.725 -2.389 291 HB3 PRO 41 1HB PRO 41 -26.918 3.479 -2.156 292 HG2 PRO 41 2HG PRO 41 -26.826 1.908 -4.663 293 HG3 PRO 41 1HG PRO 41 -27.654 3.431 -4.310 294 HD2 PRO 41 2HD PRO 41 -25.385 3.297 -5.783 295 HD3 PRO 41 1HD PRO 41 -25.799 4.701 -4.773 296 H SER 42 H SER 42 -25.604 0.906 -0.952 297 HA SER 42 HA SER 42 -23.296 -0.720 -0.833 298 HB2 SER 42 2HB SER 42 -25.053 -2.518 -0.282 299 HB3 SER 42 1HB SER 42 -25.114 -1.049 0.688 300 HG SER 42 HG SER 42 -26.952 -2.086 -1.005 301 H ASP 43 H ASP 43 -22.368 -0.935 -2.956 302 HA ASP 43 HA ASP 43 -23.999 -2.490 -4.926 303 HB2 ASP 43 2HB ASP 43 -21.885 -0.366 -5.080 304 HB3 ASP 43 1HB ASP 43 -22.091 -1.472 -6.440 305 HA PRO 44 HA PRO 44 -21.082 -5.798 -4.656 306 HB2 PRO 44 2HB PRO 44 -21.387 -6.847 -7.172 307 HB3 PRO 44 1HB PRO 44 -22.598 -7.044 -5.895 308 HG2 PRO 44 2HG PRO 44 -22.601 -5.272 -8.250 309 HG3 PRO 44 1HG PRO 44 -23.956 -6.037 -7.411 310 HD2 PRO 44 2HD PRO 44 -23.214 -3.381 -7.174 311 HD3 PRO 44 1HD PRO 44 -24.234 -4.273 -6.026 312 H ALA 45 H ALA 45 -21.080 -4.004 -7.681 313 HA ALA 45 HA ALA 45 -18.454 -4.794 -8.540 314 HB1 ALA 45 1HB ALA 45 -19.016 -2.703 -10.037 315 HB2 ALA 45 2HB ALA 45 -20.584 -2.824 -9.236 316 HB3 ALA 45 3HB ALA 45 -19.966 -4.183 -10.176 317 H LEU 46 H LEU 46 -19.609 -1.573 -7.403 318 HA LEU 46 HA LEU 46 -17.161 -0.224 -7.324 319 HB2 LEU 46 2HB LEU 46 -19.795 -0.092 -6.037 320 HB3 LEU 46 1HB LEU 46 -18.527 0.619 -5.048 321 HG LEU 46 HG LEU 46 -19.466 2.355 -6.452 322 HD11 LEU 46 1HD1 LEU 46 -16.929 2.196 -6.139 323 HD12 LEU 46 2HD1 LEU 46 -17.507 3.207 -7.465 324 HD13 LEU 46 3HD1 LEU 46 -16.875 1.598 -7.797 325 HD21 LEU 46 3HD2 LEU 46 -20.487 1.235 -8.246 326 HD22 LEU 46 1HD2 LEU 46 -19.019 0.341 -8.643 327 HD23 LEU 46 2HD2 LEU 46 -19.128 2.063 -9.004 328 H LEU 47 H LEU 47 -18.634 -1.878 -4.514 329 HA LEU 47 HA LEU 47 -16.427 -1.731 -2.740 330 HB2 LEU 47 2HB LEU 47 -18.964 -2.611 -2.647 331 HB3 LEU 47 1HB LEU 47 -18.154 -4.168 -2.816 332 HG LEU 47 HG LEU 47 -16.588 -3.107 -0.916 333 HD11 LEU 47 1HD1 LEU 47 -19.101 -1.518 -0.946 334 HD12 LEU 47 2HD1 LEU 47 -17.494 -1.071 -0.373 335 HD13 LEU 47 3HD1 LEU 47 -18.545 -2.066 0.635 336 HD21 LEU 47 3HD2 LEU 47 -19.247 -4.522 -0.687 337 HD22 LEU 47 1HD2 LEU 47 -18.264 -4.188 0.739 338 HD23 LEU 47 2HD2 LEU 47 -17.627 -5.206 -0.552 339 H ALA 48 H ALA 48 -17.365 -4.417 -4.913 340 HA ALA 48 HA ALA 48 -15.164 -6.152 -4.473 341 HB1 ALA 48 1HB ALA 48 -16.814 -5.510 -6.932 342 HB2 ALA 48 2HB ALA 48 -17.137 -6.774 -5.745 343 HB3 ALA 48 3HB ALA 48 -15.740 -6.903 -6.814 344 H ALA 49 H ALA 49 -15.482 -3.262 -6.433 345 HA ALA 49 HA ALA 49 -13.106 -3.563 -8.012 346 HB1 ALA 49 1HB ALA 49 -13.626 -1.358 -8.670 347 HB2 ALA 49 2HB ALA 49 -14.320 -0.961 -7.099 348 HB3 ALA 49 3HB ALA 49 -15.188 -2.026 -8.202 349 H TYR 50 H TYR 50 -13.677 -1.398 -5.160 350 HA TYR 50 HA TYR 50 -10.975 -0.653 -4.752 351 HB2 TYR 50 2HB TYR 50 -13.002 0.287 -3.643 352 HB3 TYR 50 1HB TYR 50 -13.130 -1.184 -2.683 353 HD1 TYR 50 1HD TYR 50 -10.922 -1.855 -1.355 354 HD2 TYR 50 2HD TYR 50 -11.829 2.086 -2.784 355 HE1 TYR 50 1HE TYR 50 -9.337 -0.894 0.278 356 HE2 TYR 50 2HE TYR 50 -10.244 3.049 -1.156 357 HH TYR 50 HH TYR 50 -8.076 2.074 0.100 358 H GLN 51 H GLN 51 -12.730 -3.558 -3.651 359 HA GLN 51 HA GLN 51 -10.588 -4.579 -1.993 360 HB2 GLN 51 2HB GLN 51 -12.938 -5.861 -3.424 361 HB3 GLN 51 1HB GLN 51 -11.936 -6.694 -2.236 362 HG2 GLN 51 2HG GLN 51 -12.507 -4.927 -0.570 363 HG3 GLN 51 1HG GLN 51 -13.594 -4.201 -1.756 364 HE21 GLN 51 1HE2 GLN 51 -15.693 -5.066 -1.893 365 HE22 GLN 51 2HE2 GLN 51 -16.195 -6.485 -1.109 366 H SER 52 H SER 52 -11.671 -5.303 -5.329 367 HA SER 52 HA SER 52 -9.806 -7.226 -6.122 368 HB2 SER 52 2HB SER 52 -11.748 -6.217 -7.404 369 HB3 SER 52 1HB SER 52 -10.732 -4.816 -7.728 370 HG SER 52 HG SER 52 -9.554 -5.972 -9.077 371 H LYS 53 H LYS 53 -9.429 -3.685 -6.078 372 HA LYS 53 HA LYS 53 -6.653 -3.771 -6.996 373 HB2 LYS 53 2HB LYS 53 -8.762 -1.832 -6.346 374 HB3 LYS 53 1HB LYS 53 -7.173 -1.300 -5.795 375 HG2 LYS 53 2HG LYS 53 -6.632 -0.739 -7.901 376 HG3 LYS 53 1HG LYS 53 -6.829 -2.416 -8.397 377 HD2 LYS 53 2HD LYS 53 -9.302 -1.997 -8.609 378 HD3 LYS 53 1HD LYS 53 -8.992 -0.291 -8.298 379 HE2 LYS 53 2HE LYS 53 -7.438 -0.255 -10.270 380 HE3 LYS 53 1HE LYS 53 -7.914 -1.929 -10.621 381 HZ1 LYS 53 3HZ LYS 53 -9.876 0.264 -10.247 382 HZ2 LYS 53 1HZ LYS 53 -10.166 -1.292 -10.852 383 HZ3 LYS 53 2HZ LYS 53 -9.273 -0.177 -11.772 384 H LEU 54 H LEU 54 -8.379 -3.723 -3.941 385 HA LEU 54 HA LEU 54 -6.190 -3.039 -2.207 386 HB2 LEU 54 2HB LEU 54 -8.639 -3.013 -1.680 387 HB3 LEU 54 1HB LEU 54 -8.638 -4.774 -1.724 388 HG LEU 54 HG LEU 54 -6.735 -4.602 0.027 389 HD11 LEU 54 1HD1 LEU 54 -7.652 -1.796 -0.265 390 HD12 LEU 54 2HD1 LEU 54 -6.093 -2.421 0.274 391 HD13 LEU 54 3HD1 LEU 54 -7.455 -2.364 1.393 392 HD21 LEU 54 3HD2 LEU 54 -8.386 -4.523 1.833 393 HD22 LEU 54 1HD2 LEU 54 -9.070 -5.385 0.455 394 HD23 LEU 54 2HD2 LEU 54 -9.542 -3.715 0.772 395 H SER 55 H SER 55 -7.724 -6.255 -2.598 396 HA SER 55 HA SER 55 -5.725 -7.843 -1.433 397 HB2 SER 55 2HB SER 55 -7.276 -8.604 -3.916 398 HB3 SER 55 1HB SER 55 -6.809 -9.641 -2.571 399 HG SER 55 HG SER 55 -8.869 -9.140 -2.124 400 H GLU 56 H GLU 56 -5.870 -6.514 -4.712 401 HA GLU 56 HA GLU 56 -3.546 -7.946 -5.723 402 HB2 GLU 56 2HB GLU 56 -5.465 -6.885 -7.030 403 HB3 GLU 56 1HB GLU 56 -4.750 -5.318 -6.648 404 HG2 GLU 56 2HG GLU 56 -3.771 -5.769 -8.712 405 HG3 GLU 56 1HG GLU 56 -2.555 -6.405 -7.603 406 H TYR 57 H TYR 57 -4.163 -4.838 -4.170 407 HA TYR 57 HA TYR 57 -1.531 -3.721 -4.594 408 HB2 TYR 57 2HB TYR 57 -3.576 -2.417 -4.169 409 HB3 TYR 57 1HB TYR 57 -3.707 -3.134 -2.566 410 HD1 TYR 57 2HD TYR 57 -0.651 -1.939 -4.393 411 HD2 TYR 57 1HD TYR 57 -3.344 -1.382 -1.101 412 HE1 TYR 57 2HE TYR 57 0.874 -0.242 -3.423 413 HE2 TYR 57 1HE TYR 57 -1.820 0.313 -0.124 414 HH TYR 57 HH TYR 57 0.638 0.865 -0.259 415 H ASN 58 H ASN 58 -3.086 -5.136 -1.673 416 HA ASN 58 HA ASN 58 -0.904 -5.002 0.092 417 HB2 ASN 58 2HB ASN 58 -3.047 -7.126 -0.293 418 HB3 ASN 58 1HB ASN 58 -2.024 -7.015 1.141 419 HD21 ASN 58 1HD2 ASN 58 -3.885 -6.490 2.517 420 HD22 ASN 58 2HD2 ASN 58 -4.628 -4.965 2.440 421 H LEU 59 H LEU 59 -1.690 -7.563 -2.279 422 HA LEU 59 HA LEU 59 0.648 -9.191 -1.736 423 HB2 LEU 59 2HB LEU 59 -1.615 -9.723 -2.925 424 HB3 LEU 59 1HB LEU 59 -0.872 -9.003 -4.350 425 HG LEU 59 HG LEU 59 -0.589 -11.466 -4.311 426 HD11 LEU 59 1HD1 LEU 59 1.230 -9.666 -5.070 427 HD12 LEU 59 2HD1 LEU 59 1.569 -11.396 -5.120 428 HD13 LEU 59 3HD1 LEU 59 2.156 -10.421 -3.772 429 HD21 LEU 59 3HD2 LEU 59 0.548 -12.600 -2.587 430 HD22 LEU 59 1HD2 LEU 59 -0.452 -11.442 -1.709 431 HD23 LEU 59 2HD2 LEU 59 1.263 -11.116 -1.958 432 H TYR 60 H TYR 60 -0.143 -6.515 -3.885 433 HA TYR 60 HA TYR 60 1.977 -6.411 -5.707 434 HB2 TYR 60 2HB TYR 60 -0.083 -4.826 -4.869 435 HB3 TYR 60 1HB TYR 60 1.288 -3.896 -4.294 436 HD1 TYR 60 2HD TYR 60 0.429 -5.882 -7.366 437 HD2 TYR 60 1HD TYR 60 1.987 -2.241 -5.714 438 HE1 TYR 60 2HE TYR 60 0.743 -4.977 -9.650 439 HE2 TYR 60 1HE TYR 60 2.297 -1.338 -7.990 440 HH TYR 60 HH TYR 60 2.667 -2.526 -10.409 441 H ARG 61 H ARG 61 1.913 -4.819 -2.505 442 HA ARG 61 HA ARG 61 4.482 -3.803 -2.304 443 HB2 ARG 61 2HB ARG 61 2.455 -4.943 -0.457 444 HB3 ARG 61 1HB ARG 61 4.073 -4.729 0.213 445 HG2 ARG 61 2HG ARG 61 3.972 -2.444 0.088 446 HG3 ARG 61 1HG ARG 61 3.004 -2.464 -1.387 447 HD2 ARG 61 2HD ARG 61 1.438 -1.710 0.196 448 HD3 ARG 61 1HD ARG 61 1.143 -3.460 0.222 449 HE ARG 61 HE ARG 61 3.264 -2.660 2.052 450 HH11 ARG 61 1HH2 ARG 61 -0.180 -2.983 1.635 451 HH12 ARG 61 2HH2 ARG 61 -0.480 -3.146 3.332 452 HH21 ARG 61 1HH1 ARG 61 2.847 -2.874 4.245 453 HH22 ARG 61 2HH1 ARG 61 1.218 -3.085 4.799 454 H ASN 62 H ASN 62 3.545 -7.200 -1.659 455 HA ASN 62 HA ASN 62 6.261 -8.006 -0.952 456 HB2 ASN 62 2HB ASN 62 3.654 -9.415 -1.576 457 HB3 ASN 62 1HB ASN 62 5.124 -10.298 -1.164 458 HD21 ASN 62 1HD2 ASN 62 2.730 -7.988 0.112 459 HD22 ASN 62 2HD2 ASN 62 3.140 -8.209 1.744 460 H ALA 63 H ALA 63 4.112 -8.692 -3.746 461 HA ALA 63 HA ALA 63 5.868 -10.146 -5.369 462 HB1 ALA 63 1HB ALA 63 4.183 -9.858 -6.883 463 HB2 ALA 63 2HB ALA 63 4.233 -8.101 -6.743 464 HB3 ALA 63 3HB ALA 63 3.358 -9.057 -5.548 465 H GLN 64 H GLN 64 5.275 -6.646 -5.885 466 HA GLN 64 HA GLN 64 7.417 -6.097 -7.609 467 HB2 GLN 64 2HB GLN 64 5.804 -4.597 -5.596 468 HB3 GLN 64 1HB GLN 64 7.242 -3.794 -6.225 469 HG2 GLN 64 2HG GLN 64 5.045 -4.996 -7.940 470 HG3 GLN 64 1HG GLN 64 5.210 -3.279 -7.573 471 HE21 GLN 64 1HE2 GLN 64 6.487 -5.908 -9.519 472 HE22 GLN 64 2HE2 GLN 64 7.593 -4.970 -10.402 473 H SER 65 H SER 65 7.487 -6.395 -4.081 474 HA SER 65 HA SER 65 10.219 -5.423 -3.780 475 HB2 SER 65 2HB SER 65 8.157 -6.833 -2.102 476 HB3 SER 65 1HB SER 65 9.805 -6.672 -1.504 477 HG SER 65 HG SER 65 8.812 -4.852 -0.838 478 H ASN 66 H ASN 66 8.703 -8.557 -4.341 479 HA ASN 66 HA ASN 66 11.221 -10.031 -3.862 480 HB2 ASN 66 2HB ASN 66 8.671 -10.644 -3.416 481 HB3 ASN 66 1HB ASN 66 8.751 -11.205 -5.087 482 HD21 ASN 66 1HD2 ASN 66 11.037 -12.495 -5.439 483 HD22 ASN 66 2HD2 ASN 66 11.329 -13.683 -4.262 484 H THR 67 H THR 67 9.429 -8.660 -6.532 485 HA THR 67 HA THR 67 10.803 -10.271 -8.580 486 HB THR 67 HB THR 67 9.455 -8.777 -10.080 487 HG1 THR 67 1HG THR 67 8.740 -6.991 -9.282 488 HG21 THR 67 3HG2 THR 67 7.236 -9.554 -9.251 489 HG22 THR 67 1HG2 THR 67 7.998 -10.021 -7.731 490 HG23 THR 67 2HG2 THR 67 8.452 -10.831 -9.231 491 H ALA 68 H ALA 68 10.858 -6.898 -7.386 492 HA ALA 68 HA ALA 68 12.714 -5.833 -9.266 493 HB1 ALA 68 1HB ALA 68 13.213 -4.469 -6.953 494 HB2 ALA 68 2HB ALA 68 11.668 -5.221 -6.566 495 HB3 ALA 68 3HB ALA 68 11.810 -4.177 -7.980 496 H LYS 69 H LYS 69 13.249 -7.624 -6.242 497 HA LYS 69 HA LYS 69 16.035 -7.240 -5.917 498 HB2 LYS 69 2HB LYS 69 13.986 -9.290 -5.218 499 HB3 LYS 69 1HB LYS 69 15.676 -9.766 -5.041 500 HG2 LYS 69 2HG LYS 69 15.816 -7.351 -3.879 501 HG3 LYS 69 1HG LYS 69 14.119 -7.705 -3.551 502 HD2 LYS 69 2HD LYS 69 14.995 -10.025 -2.756 503 HD3 LYS 69 1HD LYS 69 16.563 -9.223 -2.664 504 HE2 LYS 69 2HE LYS 69 15.934 -7.902 -0.880 505 HE3 LYS 69 1HE LYS 69 14.244 -7.809 -1.416 506 HZ1 LYS 69 3HZ LYS 69 14.476 -9.265 0.516 507 HZ2 LYS 69 1HZ LYS 69 15.577 -10.236 -0.334 508 HZ3 LYS 69 2HZ LYS 69 13.962 -10.136 -0.849 509 H ALA 70 H ALA 70 14.346 -9.819 -7.745 510 HA ALA 70 HA ALA 70 16.812 -10.951 -8.806 511 HB1 ALA 70 1HB ALA 70 14.914 -12.373 -8.536 512 HB2 ALA 70 2HB ALA 70 15.059 -12.138 -10.277 513 HB3 ALA 70 3HB ALA 70 13.852 -11.234 -9.363 514 H PHE 71 H PHE 71 14.457 -8.559 -9.871 515 HA PHE 71 HA PHE 71 15.107 -8.420 -12.641 516 HB2 PHE 71 2HB PHE 71 13.417 -7.173 -10.833 517 HB3 PHE 71 1HB PHE 71 14.505 -5.868 -11.303 518 HD1 PHE 71 2HD PHE 71 14.706 -5.186 -13.674 519 HD2 PHE 71 1HD PHE 71 11.878 -8.162 -12.410 520 HE1 PHE 71 2HE PHE 71 13.500 -4.954 -15.828 521 HE2 PHE 71 1HE PHE 71 10.672 -7.929 -14.565 522 HZ PHE 71 HZ PHE 71 11.482 -6.326 -16.274 523 H LYS 72 H LYS 72 16.236 -6.195 -10.059 524 HA LYS 72 HA LYS 72 18.255 -4.925 -11.624 525 HB2 LYS 72 2HB LYS 72 19.064 -4.170 -9.405 526 HB3 LYS 72 1HB LYS 72 17.307 -4.071 -9.508 527 HG2 LYS 72 2HG LYS 72 17.430 -6.528 -8.522 528 HG3 LYS 72 1HG LYS 72 19.010 -5.987 -7.953 529 HD2 LYS 72 2HD LYS 72 17.623 -3.860 -7.173 530 HD3 LYS 72 1HD LYS 72 16.285 -5.010 -7.191 531 HE2 LYS 72 2HE LYS 72 17.137 -5.217 -4.991 532 HE3 LYS 72 1HE LYS 72 17.935 -6.552 -5.846 533 HZ1 LYS 72 3HZ LYS 72 19.063 -3.817 -5.573 534 HZ2 LYS 72 1HZ LYS 72 19.827 -5.161 -6.270 535 HZ3 LYS 72 2HZ LYS 72 19.511 -5.136 -4.600 536 H ASP 73 H ASP 73 18.263 -7.955 -9.843 537 HA ASP 73 HA ASP 73 21.145 -8.297 -9.759 538 HB2 ASP 73 2HB ASP 73 19.211 -9.369 -8.381 539 HB3 ASP 73 1HB ASP 73 19.085 -10.499 -9.730 540 H ILE 74 H ILE 74 18.610 -9.866 -11.763 541 HA ILE 74 HA ILE 74 20.201 -11.408 -13.466 542 HB ILE 74 HB ILE 74 17.708 -9.774 -14.051 543 HG12 ILE 74 2HG1 ILE 74 17.765 -12.730 -13.554 544 HG13 ILE 74 1HG1 ILE 74 17.903 -11.645 -12.170 545 HG21 ILE 74 1HG2 ILE 74 18.451 -10.407 -16.189 546 HG22 ILE 74 2HG2 ILE 74 17.394 -11.744 -15.740 547 HG23 ILE 74 3HG2 ILE 74 19.142 -11.921 -15.604 548 HD11 ILE 74 3HD1 ILE 74 15.587 -11.906 -12.335 549 HD12 ILE 74 1HD1 ILE 74 15.621 -11.968 -14.097 550 HD13 ILE 74 2HD1 ILE 74 15.849 -10.430 -13.265 551 H ASP 75 H ASP 75 19.453 -7.933 -13.772 552 HA ASP 75 HA ASP 75 20.655 -7.428 -16.297 553 HB2 ASP 75 2HB ASP 75 20.212 -5.859 -13.760 554 HB3 ASP 75 1HB ASP 75 21.017 -5.113 -15.142 555 H ALA 76 H ALA 76 22.069 -7.593 -13.045 556 HA ALA 76 HA ALA 76 24.669 -6.619 -13.553 557 HB1 ALA 76 1HB ALA 76 23.370 -7.508 -11.426 558 HB2 ALA 76 2HB ALA 76 25.132 -7.559 -11.473 559 HB3 ALA 76 3HB ALA 76 24.197 -9.017 -11.813 560 H ALA 77 H ALA 77 23.198 -9.631 -14.571 561 HA ALA 77 HA ALA 77 25.825 -10.820 -15.283 562 HB1 ALA 77 1HB ALA 77 23.019 -11.888 -15.694 563 HB2 ALA 77 2HB ALA 77 23.886 -12.042 -14.166 564 HB3 ALA 77 3HB ALA 77 24.519 -12.814 -15.621 565 H ILE 78 H ILE 78 23.189 -9.063 -16.737 566 HA ILE 78 HA ILE 78 23.584 -10.013 -19.458 567 HB ILE 78 HB ILE 78 22.293 -7.501 -18.344 568 HG12 ILE 78 2HG1 ILE 78 21.042 -10.160 -19.105 569 HG13 ILE 78 1HG1 ILE 78 21.398 -9.675 -17.447 570 HG21 ILE 78 1HG2 ILE 78 22.629 -7.214 -20.693 571 HG22 ILE 78 2HG2 ILE 78 20.953 -7.731 -20.506 572 HG23 ILE 78 3HG2 ILE 78 22.179 -8.885 -21.031 573 HD11 ILE 78 3HD1 ILE 78 19.290 -8.681 -19.301 574 HD12 ILE 78 1HD1 ILE 78 20.038 -7.493 -18.234 575 HD13 ILE 78 2HD1 ILE 78 19.235 -8.907 -17.553 576 H ILE 79 H ILE 79 25.441 -7.975 -17.462 577 HA ILE 79 HA ILE 79 26.575 -6.524 -19.824 578 HB ILE 79 HB ILE 79 26.669 -5.945 -16.843 579 HG12 ILE 79 2HG1 ILE 79 25.127 -4.578 -19.074 580 HG13 ILE 79 1HG1 ILE 79 24.420 -5.702 -17.915 581 HG21 ILE 79 1HG2 ILE 79 28.022 -4.155 -17.285 582 HG22 ILE 79 2HG2 ILE 79 27.276 -3.850 -18.854 583 HG23 ILE 79 3HG2 ILE 79 28.490 -5.117 -18.686 584 HD11 ILE 79 3HD1 ILE 79 25.610 -2.976 -17.378 585 HD12 ILE 79 1HD1 ILE 79 25.344 -4.149 -16.088 586 HD13 ILE 79 2HD1 ILE 79 23.977 -3.542 -17.023 587 H GLN 80 H GLN 80 27.403 -8.387 -16.904 588 HA GLN 80 HA GLN 80 30.263 -8.493 -17.658 589 HB2 GLN 80 2HB GLN 80 28.515 -9.364 -15.366 590 HB3 GLN 80 1HB GLN 80 30.139 -10.036 -15.524 591 HG2 GLN 80 2HG GLN 80 30.983 -7.643 -15.712 592 HG3 GLN 80 1HG GLN 80 29.369 -7.125 -15.227 593 HE21 GLN 80 1HE2 GLN 80 32.343 -8.632 -14.091 594 HE22 GLN 80 2HE2 GLN 80 31.908 -8.685 -12.451 595 H ASN 81 H ASN 81 27.381 -10.517 -17.670 596 HA ASN 81 HA ASN 81 28.947 -12.770 -18.881 597 HB2 ASN 81 2HB ASN 81 26.654 -12.497 -17.010 598 HB3 ASN 81 1HB ASN 81 26.527 -13.808 -18.184 599 HD21 ASN 81 1HD2 ASN 81 27.153 -15.671 -17.057 600 HD22 ASN 81 2HD2 ASN 81 28.570 -15.808 -16.133 601 H PHE 82 H PHE 82 26.851 -10.254 -19.671 602 HA PHE 82 HA PHE 82 25.599 -9.729 -21.552 603 HB2 PHE 82 2HB PHE 82 26.539 -10.439 -23.507 604 HB3 PHE 82 1HB PHE 82 27.762 -11.084 -22.428 605 HD1 PHE 82 2HD PHE 82 24.468 -12.094 -23.961 606 HD2 PHE 82 1HD PHE 82 28.392 -13.314 -22.702 607 HE1 PHE 82 2HE PHE 82 24.058 -14.360 -24.877 608 HE2 PHE 82 1HE PHE 82 27.983 -15.576 -23.631 609 HZ PHE 82 HZ PHE 82 25.816 -16.101 -24.713 610 H ARG 83 H ARG 83 25.182 -12.802 -20.005 611 HA ARG 83 HA ARG 83 23.360 -14.277 -19.887 612 HB2 ARG 83 2HB ARG 83 22.298 -11.461 -19.964 613 HB3 ARG 83 1HB ARG 83 21.234 -12.835 -19.655 614 HG2 ARG 83 2HG ARG 83 23.782 -12.416 -18.093 615 HG3 ARG 83 1HG ARG 83 22.258 -11.678 -17.597 616 HD2 ARG 83 2HD ARG 83 22.567 -14.656 -18.108 617 HD3 ARG 83 1HD ARG 83 22.715 -13.915 -16.502 618 HE ARG 83 HE ARG 83 20.304 -13.067 -17.902 619 HH11 ARG 83 1HH2 ARG 83 21.731 -15.550 -15.916 620 HH12 ARG 83 2HH2 ARG 83 20.208 -16.067 -15.280 621 HH21 ARG 83 1HH1 ARG 83 18.344 -13.759 -17.060 622 HH22 ARG 83 2HH1 ARG 83 18.304 -15.063 -15.921 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 19.676 -4.400 -29.434 2 H2 GLY 1 2HT GLY 1 19.487 -4.818 -27.798 3 H3 GLY 1 3HT GLY 1 19.823 -3.209 -28.234 4 HA2 GLY 1 2HA GLY 1 17.702 -2.908 -29.198 5 HA3 GLY 1 1HA GLY 1 17.365 -4.636 -29.079 6 H SER 2 H SER 2 18.303 -1.908 -26.954 7 HA SER 2 HA SER 2 16.800 -3.190 -24.720 8 HB2 SER 2 2HB SER 2 18.654 -0.788 -24.824 9 HB3 SER 2 1HB SER 2 18.052 -1.565 -23.362 10 HG SER 2 HG SER 2 19.533 -3.032 -23.587 11 H HIS 3 H HIS 3 14.775 -2.444 -24.246 12 HA HIS 3 HA HIS 3 13.685 -0.095 -25.632 13 HB2 HIS 3 2HB HIS 3 12.629 -2.123 -23.642 14 HB3 HIS 3 1HB HIS 3 11.631 -0.839 -24.325 15 HD1 HIS 3 1HD HIS 3 10.575 -1.317 -26.544 16 HD2 HIS 3 2HD HIS 3 13.779 -3.871 -25.775 17 HE1 HIS 3 1HE HIS 3 10.624 -2.995 -28.440 18 H MET 4 H MET 4 15.086 1.555 -24.601 19 HA MET 4 HA MET 4 15.543 3.207 -22.975 20 HB2 MET 4 2HB MET 4 12.932 3.138 -23.445 21 HB3 MET 4 1HB MET 4 12.866 2.573 -21.775 22 HG2 MET 4 2HG MET 4 14.189 4.561 -21.077 23 HG3 MET 4 1HG MET 4 14.165 5.138 -22.743 24 HE1 MET 4 3HE MET 4 12.372 6.629 -23.687 25 HE2 MET 4 1HE MET 4 10.672 6.176 -23.512 26 HE3 MET 4 2HE MET 4 11.847 4.996 -24.086 27 H ALA 5 H ALA 5 17.095 1.488 -22.059 28 HA ALA 5 HA ALA 5 16.706 1.289 -19.176 29 HB1 ALA 5 1HB ALA 5 15.262 -0.532 -20.121 30 HB2 ALA 5 2HB ALA 5 16.556 -1.147 -19.093 31 HB3 ALA 5 3HB ALA 5 16.703 -1.244 -20.848 32 H THR 6 H THR 6 18.788 2.094 -18.846 33 HA THR 6 HA THR 6 21.077 1.022 -20.371 34 HB THR 6 HB THR 6 22.282 2.754 -19.021 35 HG1 THR 6 1HG THR 6 20.856 4.100 -17.736 36 HG21 THR 6 3HG2 THR 6 20.864 4.713 -19.869 37 HG22 THR 6 1HG2 THR 6 19.728 3.497 -20.451 38 HG23 THR 6 2HG2 THR 6 21.377 3.534 -21.075 39 HA PRO 7 HA PRO 7 22.333 -1.998 -17.432 40 HB2 PRO 7 2HB PRO 7 25.117 -1.040 -17.552 41 HB3 PRO 7 1HB PRO 7 24.443 -2.592 -18.075 42 HG2 PRO 7 2HG PRO 7 25.297 -0.700 -19.801 43 HG3 PRO 7 1HG PRO 7 24.003 -1.846 -20.177 44 HD2 PRO 7 2HD PRO 7 23.828 1.035 -19.481 45 HD3 PRO 7 1HD PRO 7 22.797 0.058 -20.549 46 H TRP 8 H TRP 8 24.007 -2.067 -15.391 47 HA TRP 8 HA TRP 8 23.954 -1.412 -13.104 48 HB2 TRP 8 2HB TRP 8 25.239 0.985 -13.147 49 HB3 TRP 8 1HB TRP 8 26.041 -0.560 -13.377 50 HD1 TRP 8 HD TRP 8 24.476 2.282 -15.477 51 HE1 TRP 8 1HE TRP 8 25.727 2.391 -17.730 52 HE3 TRP 8 3HE TRP 8 27.593 -1.726 -14.948 53 HZ2 TRP 8 2HZ TRP 8 27.783 0.967 -19.118 54 HZ3 TRP 8 3HZ TRP 8 29.190 -2.324 -16.746 55 HH2 TRP 8 HH TRP 8 29.290 -0.983 -18.828 56 H SER 9 H SER 9 21.398 -0.905 -13.938 57 HA SER 9 HA SER 9 20.812 1.711 -12.604 58 HB2 SER 9 2HB SER 9 20.360 2.256 -14.813 59 HB3 SER 9 1HB SER 9 19.999 0.592 -15.256 60 HG SER 9 HG SER 9 18.319 2.545 -14.586 61 H GLY 10 H GLY 10 18.476 -0.568 -13.976 62 HA2 GLY 10 2HA GLY 10 16.883 -1.951 -12.969 63 HA3 GLY 10 1HA GLY 10 17.966 -2.058 -11.581 64 H TYR 11 H TYR 11 17.969 -0.123 -10.128 65 HA TYR 11 HA TYR 11 15.192 0.681 -9.562 66 HB2 TYR 11 2HB TYR 11 17.817 0.547 -8.210 67 HB3 TYR 11 1HB TYR 11 16.782 1.873 -7.683 68 HD1 TYR 11 2HD TYR 11 17.057 -1.803 -8.003 69 HD2 TYR 11 1HD TYR 11 14.718 1.469 -6.496 70 HE1 TYR 11 2HE TYR 11 15.703 -3.389 -6.662 71 HE2 TYR 11 1HE TYR 11 13.363 -0.117 -5.154 72 HH TYR 11 HH TYR 11 13.524 -2.335 -4.220 73 H LEU 12 H LEU 12 17.934 2.055 -11.161 74 HA LEU 12 HA LEU 12 17.595 4.830 -10.625 75 HB2 LEU 12 2HB LEU 12 18.789 3.085 -12.709 76 HB3 LEU 12 1HB LEU 12 18.476 4.750 -13.198 77 HG LEU 12 HG LEU 12 19.658 5.468 -11.058 78 HD11 LEU 12 1HD1 LEU 12 21.370 3.473 -10.483 79 HD12 LEU 12 2HD1 LEU 12 19.971 2.506 -10.952 80 HD13 LEU 12 3HD1 LEU 12 19.837 3.670 -9.633 81 HD21 LEU 12 3HD2 LEU 12 21.557 3.875 -12.748 82 HD22 LEU 12 1HD2 LEU 12 21.704 5.533 -12.166 83 HD23 LEU 12 2HD2 LEU 12 20.625 5.163 -13.511 84 H ASP 13 H ASP 13 15.701 2.628 -12.586 85 HA ASP 13 HA ASP 13 13.607 4.620 -12.969 86 HB2 ASP 13 2HB ASP 13 15.688 4.855 -14.685 87 HB3 ASP 13 1HB ASP 13 14.715 3.674 -15.562 88 H ASP 14 H ASP 14 14.994 1.524 -14.068 89 HA ASP 14 HA ASP 14 12.691 0.314 -15.164 90 HB2 ASP 14 2HB ASP 14 15.283 -0.475 -14.026 91 HB3 ASP 14 1HB ASP 14 14.053 -1.737 -13.941 92 H VAL 15 H VAL 15 13.877 -0.870 -12.095 93 HA VAL 15 HA VAL 15 11.474 -1.918 -11.124 94 HB VAL 15 HB VAL 15 13.763 -0.632 -9.614 95 HG11 VAL 15 1HG1 VAL 15 12.183 -1.101 -7.986 96 HG12 VAL 15 2HG1 VAL 15 13.074 -2.623 -8.048 97 HG13 VAL 15 3HG1 VAL 15 11.524 -2.473 -8.878 98 HG21 VAL 15 3HG2 VAL 15 14.357 -3.242 -9.625 99 HG22 VAL 15 1HG2 VAL 15 14.867 -2.175 -10.932 100 HG23 VAL 15 2HG2 VAL 15 13.437 -3.185 -11.129 101 H SER 16 H SER 16 12.795 1.346 -10.660 102 HA SER 16 HA SER 16 10.945 2.394 -8.820 103 HB2 SER 16 2HB SER 16 12.876 3.615 -9.439 104 HB3 SER 16 1HB SER 16 12.499 3.497 -11.155 105 HG SER 16 HG SER 16 11.459 5.302 -10.924 106 H ALA 17 H ALA 17 10.600 1.931 -12.332 107 HA ALA 17 HA ALA 17 8.144 3.426 -12.635 108 HB1 ALA 17 1HB ALA 17 9.616 2.829 -14.500 109 HB2 ALA 17 2HB ALA 17 8.033 2.094 -14.759 110 HB3 ALA 17 3HB ALA 17 9.376 1.113 -14.173 111 H LYS 18 H LYS 18 8.914 0.091 -11.787 112 HA LYS 18 HA LYS 18 6.080 -0.739 -11.737 113 HB2 LYS 18 2HB LYS 18 8.765 -2.008 -11.154 114 HB3 LYS 18 1HB LYS 18 7.252 -2.857 -10.831 115 HG2 LYS 18 2HG LYS 18 7.876 -1.632 -13.525 116 HG3 LYS 18 1HG LYS 18 8.312 -3.292 -13.118 117 HD2 LYS 18 2HD LYS 18 5.846 -3.588 -12.434 118 HD3 LYS 18 1HD LYS 18 5.553 -2.078 -13.299 119 HE2 LYS 18 2HE LYS 18 7.111 -4.242 -14.684 120 HE3 LYS 18 1HE LYS 18 5.344 -4.375 -14.592 121 HZ1 LYS 18 3HZ LYS 18 6.813 -1.955 -15.499 122 HZ2 LYS 18 1HZ LYS 18 5.129 -2.163 -15.480 123 HZ3 LYS 18 2HZ LYS 18 6.086 -3.086 -16.539 124 H PHE 19 H PHE 19 8.560 0.424 -9.564 125 HA PHE 19 HA PHE 19 7.118 -0.374 -7.123 126 HB2 PHE 19 2HB PHE 19 9.721 0.801 -7.934 127 HB3 PHE 19 1HB PHE 19 9.120 1.302 -6.354 128 HD1 PHE 19 1HD PHE 19 9.047 -1.897 -8.319 129 HD2 PHE 19 2HD PHE 19 10.037 0.050 -4.621 130 HE1 PHE 19 1HE PHE 19 9.742 -4.072 -7.360 131 HE2 PHE 19 2HE PHE 19 10.733 -2.128 -3.660 132 HZ PHE 19 HZ PHE 19 10.585 -4.190 -5.030 133 H ASP 20 H ASP 20 8.435 2.805 -8.101 134 HA ASP 20 HA ASP 20 6.670 4.367 -6.528 135 HB2 ASP 20 2HB ASP 20 8.141 4.933 -9.121 136 HB3 ASP 20 1HB ASP 20 7.382 6.183 -8.136 137 H THR 21 H THR 21 6.456 4.592 -10.079 138 HA THR 21 HA THR 21 3.769 5.393 -10.217 139 HB THR 21 HB THR 21 5.097 3.578 -12.235 140 HG1 THR 21 1HG THR 21 6.276 5.358 -12.897 141 HG21 THR 21 3HG2 THR 21 3.608 6.137 -12.757 142 HG22 THR 21 1HG2 THR 21 2.721 4.645 -12.445 143 HG23 THR 21 2HG2 THR 21 3.827 4.745 -13.817 144 H GLY 22 H GLY 22 5.022 2.045 -10.541 145 HA2 GLY 22 2HA GLY 22 2.586 0.704 -10.919 146 HA3 GLY 22 1HA GLY 22 3.978 -0.011 -10.113 147 H VAL 23 H VAL 23 4.222 0.641 -7.744 148 HA VAL 23 HA VAL 23 1.907 -0.137 -6.297 149 HB VAL 23 HB VAL 23 4.336 1.414 -5.372 150 HG11 VAL 23 1HG1 VAL 23 2.265 1.114 -3.837 151 HG12 VAL 23 2HG1 VAL 23 3.845 0.659 -3.197 152 HG13 VAL 23 3HG1 VAL 23 2.740 -0.583 -3.786 153 HG21 VAL 23 3HG2 VAL 23 3.890 -1.395 -6.223 154 HG22 VAL 23 1HG2 VAL 23 4.813 -1.184 -4.735 155 HG23 VAL 23 2HG2 VAL 23 5.371 -0.442 -6.234 156 H ASP 24 H ASP 24 3.250 3.157 -6.816 157 HA ASP 24 HA ASP 24 1.403 4.589 -5.190 158 HB2 ASP 24 2HB ASP 24 3.478 5.444 -6.354 159 HB3 ASP 24 1HB ASP 24 2.570 5.426 -7.866 160 H ASN 25 H ASN 25 1.147 3.362 -8.505 161 HA ASN 25 HA ASN 25 -1.376 4.593 -9.161 162 HB2 ASN 25 2HB ASN 25 0.231 3.612 -10.784 163 HB3 ASN 25 1HB ASN 25 -0.082 2.011 -10.114 164 HD21 ASN 25 1HD2 ASN 25 -0.970 4.000 -12.644 165 HD22 ASN 25 2HD2 ASN 25 -2.509 3.362 -12.968 166 H LEU 26 H LEU 26 -0.471 1.429 -7.764 167 HA LEU 26 HA LEU 26 -3.174 0.420 -7.538 168 HB2 LEU 26 2HB LEU 26 -0.495 -0.399 -7.003 169 HB3 LEU 26 1HB LEU 26 -1.398 -0.599 -5.505 170 HG LEU 26 HG LEU 26 -2.286 -1.658 -8.193 171 HD11 LEU 26 1HD1 LEU 26 -0.582 -3.123 -7.744 172 HD12 LEU 26 2HD1 LEU 26 -1.824 -3.862 -6.733 173 HD13 LEU 26 3HD1 LEU 26 -0.620 -2.793 -6.014 174 HD21 LEU 26 3HD2 LEU 26 -3.610 -1.301 -5.646 175 HD22 LEU 26 1HD2 LEU 26 -3.525 -3.014 -6.058 176 HD23 LEU 26 2HD2 LEU 26 -4.280 -1.877 -7.172 177 H GLN 27 H GLN 27 -1.126 2.430 -5.483 178 HA GLN 27 HA GLN 27 -2.792 2.253 -3.110 179 HB2 GLN 27 2HB GLN 27 -0.259 3.026 -3.673 180 HB3 GLN 27 1HB GLN 27 -1.041 4.605 -3.609 181 HG2 GLN 27 2HG GLN 27 -1.651 2.642 -1.436 182 HG3 GLN 27 1HG GLN 27 -0.091 3.466 -1.403 183 HE21 GLN 27 1HE2 GLN 27 -0.369 5.999 -1.876 184 HE22 GLN 27 2HE2 GLN 27 -1.637 6.746 -1.031 185 H THR 28 H THR 28 -2.600 4.474 -5.881 186 HA THR 28 HA THR 28 -4.568 6.318 -4.703 187 HB THR 28 HB THR 28 -2.618 6.975 -6.164 188 HG1 THR 28 1HG THR 28 -3.806 8.628 -6.584 189 HG21 THR 28 3HG2 THR 28 -2.918 6.684 -8.622 190 HG22 THR 28 1HG2 THR 28 -4.308 5.648 -8.304 191 HG23 THR 28 2HG2 THR 28 -2.699 5.151 -7.781 192 H GLN 29 H GLN 29 -4.551 3.597 -6.935 193 HA GLN 29 HA GLN 29 -7.030 4.058 -8.262 194 HB2 GLN 29 2HB GLN 29 -5.057 2.024 -8.038 195 HB3 GLN 29 1HB GLN 29 -6.608 1.261 -7.705 196 HG2 GLN 29 2HG GLN 29 -5.867 2.875 -10.161 197 HG3 GLN 29 1HG GLN 29 -6.220 1.150 -10.093 198 HE21 GLN 29 1HE2 GLN 29 -8.539 1.607 -8.171 199 HE22 GLN 29 2HE2 GLN 29 -9.779 2.250 -9.128 200 H VAL 30 H VAL 30 -6.365 2.219 -5.237 201 HA VAL 30 HA VAL 30 -9.127 1.593 -4.742 202 HB VAL 30 HB VAL 30 -8.146 1.674 -2.228 203 HG11 VAL 30 1HG1 VAL 30 -7.021 -0.627 -3.604 204 HG12 VAL 30 2HG1 VAL 30 -8.645 -0.257 -4.183 205 HG13 VAL 30 3HG1 VAL 30 -8.366 -0.545 -2.468 206 HG21 VAL 30 3HG2 VAL 30 -5.663 0.979 -3.764 207 HG22 VAL 30 1HG2 VAL 30 -5.836 1.411 -2.062 208 HG23 VAL 30 2HG2 VAL 30 -5.969 2.655 -3.306 209 H THR 31 H THR 31 -7.161 4.447 -4.145 210 HA THR 31 HA THR 31 -8.926 5.823 -2.348 211 HB THR 31 HB THR 31 -7.357 7.147 -4.564 212 HG1 THR 31 1HG THR 31 -6.341 5.908 -2.223 213 HG21 THR 31 3HG2 THR 31 -7.576 7.805 -1.621 214 HG22 THR 31 1HG2 THR 31 -8.708 8.418 -2.827 215 HG23 THR 31 2HG2 THR 31 -7.000 8.852 -2.920 216 H GLU 32 H GLU 32 -8.691 5.707 -5.912 217 HA GLU 32 HA GLU 32 -11.009 7.327 -6.486 218 HB2 GLU 32 2HB GLU 32 -9.801 4.971 -7.998 219 HB3 GLU 32 1HB GLU 32 -10.852 6.207 -8.688 220 HG2 GLU 32 2HG GLU 32 -8.130 6.726 -7.464 221 HG3 GLU 32 1HG GLU 32 -8.466 6.632 -9.192 222 H ALA 33 H ALA 33 -10.438 3.834 -6.187 223 HA ALA 33 HA ALA 33 -13.067 2.842 -6.489 224 HB1 ALA 33 1HB ALA 33 -12.159 0.894 -5.367 225 HB2 ALA 33 2HB ALA 33 -10.971 1.872 -4.513 226 HB3 ALA 33 3HB ALA 33 -10.816 1.624 -6.247 227 H LEU 34 H LEU 34 -11.562 4.599 -3.857 228 HA LEU 34 HA LEU 34 -13.546 3.961 -1.816 229 HB2 LEU 34 2HB LEU 34 -11.052 4.850 -1.718 230 HB3 LEU 34 1HB LEU 34 -11.823 6.431 -1.855 231 HG LEU 34 HG LEU 34 -13.347 5.664 0.072 232 HD11 LEU 34 1HD1 LEU 34 -12.644 3.840 1.414 233 HD12 LEU 34 2HD1 LEU 34 -11.074 3.752 0.616 234 HD13 LEU 34 3HD1 LEU 34 -12.527 3.236 -0.238 235 HD21 LEU 34 3HD2 LEU 34 -11.388 6.049 1.750 236 HD22 LEU 34 1HD2 LEU 34 -11.772 7.333 0.603 237 HD23 LEU 34 2HD2 LEU 34 -10.403 6.264 0.303 238 H ASP 35 H ASP 35 -12.796 6.983 -3.595 239 HA ASP 35 HA ASP 35 -15.181 8.390 -2.895 240 HB2 ASP 35 2HB ASP 35 -13.186 8.498 -5.163 241 HB3 ASP 35 1HB ASP 35 -14.552 9.613 -5.109 242 H LYS 36 H LYS 36 -14.505 5.945 -5.316 243 HA LYS 36 HA LYS 36 -17.018 6.329 -6.783 244 HB2 LYS 36 2HB LYS 36 -14.562 4.640 -6.885 245 HB3 LYS 36 1HB LYS 36 -16.002 3.983 -7.637 246 HG2 LYS 36 2HG LYS 36 -15.842 5.382 -9.391 247 HG3 LYS 36 1HG LYS 36 -15.668 6.782 -8.336 248 HD2 LYS 36 2HD LYS 36 -13.683 6.434 -9.809 249 HD3 LYS 36 1HD LYS 36 -13.277 6.359 -8.098 250 HE2 LYS 36 2HE LYS 36 -12.477 4.254 -8.350 251 HE3 LYS 36 1HE LYS 36 -14.024 3.720 -9.036 252 HZ1 LYS 36 3HZ LYS 36 -12.147 3.563 -10.626 253 HZ2 LYS 36 1HZ LYS 36 -11.966 5.248 -10.540 254 HZ3 LYS 36 2HZ LYS 36 -13.398 4.578 -11.165 255 H LEU 37 H LEU 37 -15.659 4.150 -4.320 256 HA LEU 37 HA LEU 37 -17.769 2.225 -4.240 257 HB2 LEU 37 2HB LEU 37 -15.822 1.668 -3.050 258 HB3 LEU 37 1HB LEU 37 -15.671 3.278 -2.354 259 HG LEU 37 HG LEU 37 -17.564 2.848 -0.860 260 HD11 LEU 37 1HD1 LEU 37 -17.650 0.073 -2.080 261 HD12 LEU 37 2HD1 LEU 37 -18.800 1.356 -2.450 262 HD13 LEU 37 3HD1 LEU 37 -18.706 0.703 -0.815 263 HD21 LEU 37 3HD2 LEU 37 -15.490 2.185 0.089 264 HD22 LEU 37 1HD2 LEU 37 -15.392 0.750 -0.933 265 HD23 LEU 37 2HD2 LEU 37 -16.573 0.822 0.375 266 H ALA 38 H ALA 38 -17.226 4.978 -2.028 267 HA ALA 38 HA ALA 38 -19.808 4.925 -0.814 268 HB1 ALA 38 1HB ALA 38 -17.859 7.198 -1.306 269 HB2 ALA 38 2HB ALA 38 -17.815 6.079 0.056 270 HB3 ALA 38 3HB ALA 38 -19.155 7.213 -0.110 271 H ALA 39 H ALA 39 -18.743 6.066 -3.927 272 HA ALA 39 HA ALA 39 -20.674 8.035 -4.599 273 HB1 ALA 39 1HB ALA 39 -19.868 7.651 -6.754 274 HB2 ALA 39 2HB ALA 39 -19.896 5.899 -6.554 275 HB3 ALA 39 3HB ALA 39 -18.603 6.848 -5.826 276 H LYS 40 H LYS 40 -20.774 4.562 -5.361 277 HA LYS 40 HA LYS 40 -23.694 4.643 -5.786 278 HB2 LYS 40 2HB LYS 40 -21.359 3.015 -6.480 279 HB3 LYS 40 1HB LYS 40 -22.710 2.017 -5.949 280 HG2 LYS 40 2HG LYS 40 -22.841 2.366 -8.365 281 HG3 LYS 40 1HG LYS 40 -24.182 3.195 -7.575 282 HD2 LYS 40 2HD LYS 40 -23.236 5.314 -7.902 283 HD3 LYS 40 1HD LYS 40 -21.609 4.661 -8.104 284 HE2 LYS 40 2HE LYS 40 -23.735 3.879 -10.082 285 HE3 LYS 40 1HE LYS 40 -22.944 5.460 -10.235 286 HZ1 LYS 40 3HZ LYS 40 -21.675 3.776 -11.407 287 HZ2 LYS 40 1HZ LYS 40 -21.566 2.836 -10.000 288 HZ3 LYS 40 2HZ LYS 40 -20.792 4.347 -10.073 289 HA PRO 41 HA PRO 41 -24.658 3.393 -1.640 290 HB2 PRO 41 2HB PRO 41 -26.792 1.675 -2.231 291 HB3 PRO 41 1HB PRO 41 -26.922 3.426 -1.994 292 HG2 PRO 41 2HG PRO 41 -26.854 1.860 -4.503 293 HG3 PRO 41 1HG PRO 41 -27.688 3.377 -4.137 294 HD2 PRO 41 2HD PRO 41 -25.439 3.261 -5.641 295 HD3 PRO 41 1HD PRO 41 -25.849 4.661 -4.626 296 H SER 42 H SER 42 -25.575 0.858 -0.817 297 HA SER 42 HA SER 42 -23.253 -0.750 -0.730 298 HB2 SER 42 2HB SER 42 -25.625 -0.782 0.482 299 HB3 SER 42 1HB SER 42 -25.986 -1.992 -0.746 300 HG SER 42 HG SER 42 -25.028 -2.749 1.303 301 H ASP 43 H ASP 43 -22.344 -0.943 -2.862 302 HA ASP 43 HA ASP 43 -23.980 -2.484 -4.836 303 HB2 ASP 43 2HB ASP 43 -21.936 -0.316 -4.947 304 HB3 ASP 43 1HB ASP 43 -21.974 -1.459 -6.290 305 HA PRO 44 HA PRO 44 -21.086 -5.813 -4.592 306 HB2 PRO 44 2HB PRO 44 -21.414 -6.851 -7.108 307 HB3 PRO 44 1HB PRO 44 -22.622 -7.040 -5.827 308 HG2 PRO 44 2HG PRO 44 -22.616 -5.262 -8.176 309 HG3 PRO 44 1HG PRO 44 -23.976 -6.019 -7.335 310 HD2 PRO 44 2HD PRO 44 -23.208 -3.369 -7.091 311 HD3 PRO 44 1HD PRO 44 -24.234 -4.255 -5.943 312 H ALA 45 H ALA 45 -21.084 -3.991 -7.602 313 HA ALA 45 HA ALA 45 -18.462 -4.803 -8.470 314 HB1 ALA 45 1HB ALA 45 -20.094 -2.393 -9.252 315 HB2 ALA 45 2HB ALA 45 -20.513 -4.035 -9.742 316 HB3 ALA 45 3HB ALA 45 -18.986 -3.322 -10.261 317 H LEU 46 H LEU 46 -19.627 -1.598 -7.295 318 HA LEU 46 HA LEU 46 -17.185 -0.225 -7.238 319 HB2 LEU 46 2HB LEU 46 -19.802 -0.138 -5.903 320 HB3 LEU 46 1HB LEU 46 -18.522 0.589 -4.943 321 HG LEU 46 HG LEU 46 -19.529 2.307 -6.326 322 HD11 LEU 46 1HD1 LEU 46 -16.991 2.230 -6.048 323 HD12 LEU 46 2HD1 LEU 46 -17.615 3.195 -7.386 324 HD13 LEU 46 3HD1 LEU 46 -16.935 1.602 -7.697 325 HD21 LEU 46 3HD2 LEU 46 -19.614 2.166 -8.742 326 HD22 LEU 46 1HD2 LEU 46 -20.420 0.752 -8.063 327 HD23 LEU 46 2HD2 LEU 46 -18.788 0.608 -8.717 328 H LEU 47 H LEU 47 -18.624 -1.919 -4.437 329 HA LEU 47 HA LEU 47 -16.399 -1.788 -2.682 330 HB2 LEU 47 2HB LEU 47 -18.949 -2.695 -2.613 331 HB3 LEU 47 1HB LEU 47 -18.096 -4.234 -2.724 332 HG LEU 47 HG LEU 47 -16.586 -3.092 -0.837 333 HD11 LEU 47 1HD1 LEU 47 -19.107 -1.526 -0.963 334 HD12 LEU 47 2HD1 LEU 47 -17.519 -1.054 -0.360 335 HD13 LEU 47 3HD1 LEU 47 -18.590 -2.027 0.647 336 HD21 LEU 47 3HD2 LEU 47 -18.011 -5.224 -0.799 337 HD22 LEU 47 1HD2 LEU 47 -19.306 -4.224 -0.141 338 HD23 LEU 47 2HD2 LEU 47 -17.795 -4.410 0.750 339 H ALA 48 H ALA 48 -17.355 -4.404 -4.927 340 HA ALA 48 HA ALA 48 -15.166 -6.174 -4.515 341 HB1 ALA 48 1HB ALA 48 -15.751 -6.852 -6.889 342 HB2 ALA 48 2HB ALA 48 -16.848 -5.472 -6.936 343 HB3 ALA 48 3HB ALA 48 -17.128 -6.784 -5.791 344 H ALA 49 H ALA 49 -15.476 -3.231 -6.391 345 HA ALA 49 HA ALA 49 -13.106 -3.510 -7.992 346 HB1 ALA 49 1HB ALA 49 -14.318 -0.925 -7.036 347 HB2 ALA 49 2HB ALA 49 -15.197 -1.976 -8.146 348 HB3 ALA 49 3HB ALA 49 -13.638 -1.301 -8.618 349 H TYR 50 H TYR 50 -13.665 -1.357 -5.130 350 HA TYR 50 HA TYR 50 -10.954 -0.642 -4.714 351 HB2 TYR 50 2HB TYR 50 -12.997 0.308 -3.620 352 HB3 TYR 50 1HB TYR 50 -13.109 -1.151 -2.639 353 HD1 TYR 50 1HD TYR 50 -10.882 -1.791 -1.324 354 HD2 TYR 50 2HD TYR 50 -11.837 2.127 -2.788 355 HE1 TYR 50 1HE TYR 50 -9.297 -0.797 0.289 356 HE2 TYR 50 2HE TYR 50 -10.249 3.123 -1.180 357 HH TYR 50 HH TYR 50 -7.916 1.404 0.402 358 H GLN 51 H GLN 51 -12.747 -3.521 -3.620 359 HA GLN 51 HA GLN 51 -10.630 -4.580 -1.953 360 HB2 GLN 51 2HB GLN 51 -13.015 -5.792 -3.385 361 HB3 GLN 51 1HB GLN 51 -12.016 -6.682 -2.237 362 HG2 GLN 51 2HG GLN 51 -12.519 -4.956 -0.510 363 HG3 GLN 51 1HG GLN 51 -13.595 -4.159 -1.659 364 HE21 GLN 51 1HE2 GLN 51 -15.379 -5.682 -2.590 365 HE22 GLN 51 2HE2 GLN 51 -16.062 -6.802 -1.511 366 H SER 52 H SER 52 -11.711 -5.266 -5.296 367 HA SER 52 HA SER 52 -9.876 -7.222 -6.089 368 HB2 SER 52 2HB SER 52 -11.765 -6.270 -7.417 369 HB3 SER 52 1HB SER 52 -10.846 -4.784 -7.632 370 HG SER 52 HG SER 52 -10.289 -7.386 -8.598 371 H LYS 53 H LYS 53 -9.453 -3.698 -5.987 372 HA LYS 53 HA LYS 53 -6.700 -3.748 -6.943 373 HB2 LYS 53 2HB LYS 53 -8.782 -1.874 -6.373 374 HB3 LYS 53 1HB LYS 53 -7.397 -1.414 -5.388 375 HG2 LYS 53 2HG LYS 53 -6.362 -0.565 -7.187 376 HG3 LYS 53 1HG LYS 53 -6.444 -2.125 -7.999 377 HD2 LYS 53 2HD LYS 53 -8.968 -0.547 -7.897 378 HD3 LYS 53 1HD LYS 53 -7.691 0.058 -8.955 379 HE2 LYS 53 2HE LYS 53 -7.739 -1.826 -10.330 380 HE3 LYS 53 1HE LYS 53 -8.390 -2.865 -9.046 381 HZ1 LYS 53 3HZ LYS 53 -10.449 -1.602 -9.109 382 HZ2 LYS 53 1HZ LYS 53 -10.120 -2.259 -10.637 383 HZ3 LYS 53 2HZ LYS 53 -9.832 -0.611 -10.343 384 H LEU 54 H LEU 54 -8.350 -3.850 -3.842 385 HA LEU 54 HA LEU 54 -6.133 -3.316 -2.110 386 HB2 LEU 54 2HB LEU 54 -8.725 -3.519 -1.753 387 HB3 LEU 54 1HB LEU 54 -8.381 -5.224 -1.486 388 HG LEU 54 HG LEU 54 -6.568 -4.387 0.164 389 HD11 LEU 54 1HD1 LEU 54 -7.938 -1.900 -0.639 390 HD12 LEU 54 2HD1 LEU 54 -6.347 -2.124 0.087 391 HD13 LEU 54 3HD1 LEU 54 -7.787 -2.110 1.105 392 HD21 LEU 54 3HD2 LEU 54 -8.444 -5.524 1.058 393 HD22 LEU 54 1HD2 LEU 54 -9.557 -4.244 0.577 394 HD23 LEU 54 2HD2 LEU 54 -8.439 -3.983 1.916 395 H SER 55 H SER 55 -7.657 -6.501 -2.708 396 HA SER 55 HA SER 55 -5.700 -8.170 -1.631 397 HB2 SER 55 2HB SER 55 -8.039 -8.474 -2.950 398 HB3 SER 55 1HB SER 55 -6.928 -8.989 -4.216 399 HG SER 55 HG SER 55 -7.777 -10.486 -2.357 400 H GLU 56 H GLU 56 -5.703 -6.619 -4.819 401 HA GLU 56 HA GLU 56 -3.321 -8.012 -5.783 402 HB2 GLU 56 2HB GLU 56 -5.226 -6.956 -7.129 403 HB3 GLU 56 1HB GLU 56 -4.524 -5.390 -6.718 404 HG2 GLU 56 2HG GLU 56 -3.459 -5.805 -8.735 405 HG3 GLU 56 1HG GLU 56 -2.301 -6.515 -7.611 406 H TYR 57 H TYR 57 -4.052 -4.970 -4.157 407 HA TYR 57 HA TYR 57 -1.432 -3.781 -4.488 408 HB2 TYR 57 2HB TYR 57 -3.531 -2.543 -4.095 409 HB3 TYR 57 1HB TYR 57 -3.672 -3.288 -2.507 410 HD1 TYR 57 2HD TYR 57 -0.596 -1.998 -4.226 411 HD2 TYR 57 1HD TYR 57 -3.417 -1.521 -1.031 412 HE1 TYR 57 2HE TYR 57 0.851 -0.267 -3.199 413 HE2 TYR 57 1HE TYR 57 -1.972 0.209 0.003 414 HH TYR 57 HH TYR 57 1.035 0.611 -0.474 415 H ASN 58 H ASN 58 -3.045 -5.200 -1.600 416 HA ASN 58 HA ASN 58 -0.886 -5.097 0.193 417 HB2 ASN 58 2HB ASN 58 -3.203 -6.982 -0.249 418 HB3 ASN 58 1HB ASN 58 -2.061 -7.282 1.061 419 HD21 ASN 58 1HD2 ASN 58 -5.013 -6.011 0.697 420 HD22 ASN 58 2HD2 ASN 58 -4.955 -4.727 1.806 421 H LEU 59 H LEU 59 -1.651 -7.585 -2.246 422 HA LEU 59 HA LEU 59 0.632 -9.284 -1.653 423 HB2 LEU 59 2HB LEU 59 -1.615 -9.755 -2.901 424 HB3 LEU 59 1HB LEU 59 -0.821 -9.034 -4.299 425 HG LEU 59 HG LEU 59 -0.592 -11.503 -4.281 426 HD11 LEU 59 1HD1 LEU 59 1.585 -11.469 -5.037 427 HD12 LEU 59 2HD1 LEU 59 2.160 -10.529 -3.660 428 HD13 LEU 59 3HD1 LEU 59 1.286 -9.732 -4.968 429 HD21 LEU 59 3HD2 LEU 59 -0.465 -11.411 -1.634 430 HD22 LEU 59 1HD2 LEU 59 1.269 -11.307 -1.940 431 HD23 LEU 59 2HD2 LEU 59 0.352 -12.694 -2.525 432 H TYR 60 H TYR 60 -0.055 -6.562 -3.784 433 HA TYR 60 HA TYR 60 2.116 -6.491 -5.551 434 HB2 TYR 60 2HB TYR 60 0.065 -4.864 -4.757 435 HB3 TYR 60 1HB TYR 60 1.445 -3.966 -4.148 436 HD1 TYR 60 2HD TYR 60 0.645 -5.949 -7.237 437 HD2 TYR 60 1HD TYR 60 2.188 -2.316 -5.556 438 HE1 TYR 60 2HE TYR 60 1.037 -5.059 -9.514 439 HE2 TYR 60 1HE TYR 60 2.574 -1.427 -7.825 440 HH TYR 60 HH TYR 60 1.304 -2.928 -10.638 441 H ARG 61 H ARG 61 1.989 -4.934 -2.329 442 HA ARG 61 HA ARG 61 4.560 -3.951 -2.050 443 HB2 ARG 61 2HB ARG 61 2.362 -4.439 -0.450 444 HB3 ARG 61 1HB ARG 61 3.606 -5.429 0.312 445 HG2 ARG 61 2HG ARG 61 4.874 -3.614 0.920 446 HG3 ARG 61 1HG ARG 61 4.397 -2.675 -0.494 447 HD2 ARG 61 2HD ARG 61 3.275 -1.565 1.264 448 HD3 ARG 61 1HD ARG 61 2.024 -2.666 0.652 449 HE ARG 61 HE ARG 61 3.370 -4.210 2.505 450 HH11 ARG 61 1HH2 ARG 61 1.868 -1.066 2.587 451 HH12 ARG 61 2HH2 ARG 61 1.467 -1.182 4.265 452 HH21 ARG 61 1HH1 ARG 61 2.836 -4.333 4.679 453 HH22 ARG 61 2HH1 ARG 61 2.009 -3.016 5.441 454 H ASN 62 H ASN 62 3.589 -7.351 -1.482 455 HA ASN 62 HA ASN 62 6.300 -8.184 -0.769 456 HB2 ASN 62 2HB ASN 62 3.730 -9.640 -1.469 457 HB3 ASN 62 1HB ASN 62 5.187 -10.447 -0.887 458 HD21 ASN 62 1HD2 ASN 62 2.345 -8.771 0.115 459 HD22 ASN 62 2HD2 ASN 62 2.742 -8.627 1.758 460 H ALA 63 H ALA 63 4.141 -8.860 -3.557 461 HA ALA 63 HA ALA 63 5.889 -10.310 -5.189 462 HB1 ALA 63 1HB ALA 63 3.697 -10.123 -5.944 463 HB2 ALA 63 2HB ALA 63 4.505 -8.991 -7.028 464 HB3 ALA 63 3HB ALA 63 3.628 -8.390 -5.620 465 H GLN 64 H GLN 64 5.292 -6.810 -5.717 466 HA GLN 64 HA GLN 64 7.431 -6.284 -7.452 467 HB2 GLN 64 2HB GLN 64 5.819 -4.752 -5.461 468 HB3 GLN 64 1HB GLN 64 7.253 -3.957 -6.107 469 HG2 GLN 64 2HG GLN 64 5.026 -5.168 -7.778 470 HG3 GLN 64 1HG GLN 64 5.245 -3.447 -7.470 471 HE21 GLN 64 1HE2 GLN 64 5.584 -5.363 -9.979 472 HE22 GLN 64 2HE2 GLN 64 7.053 -4.832 -10.641 473 H SER 65 H SER 65 7.505 -6.575 -3.930 474 HA SER 65 HA SER 65 10.232 -5.576 -3.633 475 HB2 SER 65 2HB SER 65 8.237 -7.063 -1.921 476 HB3 SER 65 1HB SER 65 9.862 -6.717 -1.337 477 HG SER 65 HG SER 65 9.415 -4.619 -1.303 478 H ASN 66 H ASN 66 8.717 -8.709 -4.160 479 HA ASN 66 HA ASN 66 11.239 -10.183 -3.695 480 HB2 ASN 66 2HB ASN 66 8.350 -10.762 -4.188 481 HB3 ASN 66 1HB ASN 66 9.512 -12.019 -4.610 482 HD21 ASN 66 1HD2 ASN 66 8.892 -13.409 -2.816 483 HD22 ASN 66 2HD2 ASN 66 9.259 -13.006 -1.208 484 H THR 67 H THR 67 9.527 -8.734 -6.350 485 HA THR 67 HA THR 67 10.878 -10.417 -8.381 486 HB THR 67 HB THR 67 9.473 -8.977 -9.903 487 HG1 THR 67 1HG THR 67 9.373 -7.140 -8.616 488 HG21 THR 67 3HG2 THR 67 8.738 -11.104 -8.424 489 HG22 THR 67 1HG2 THR 67 7.626 -10.277 -9.514 490 HG23 THR 67 2HG2 THR 67 7.604 -9.912 -7.789 491 H ALA 68 H ALA 68 10.873 -7.042 -7.210 492 HA ALA 68 HA ALA 68 12.613 -5.913 -9.156 493 HB1 ALA 68 1HB ALA 68 13.191 -4.556 -6.862 494 HB2 ALA 68 2HB ALA 68 11.693 -5.357 -6.397 495 HB3 ALA 68 3HB ALA 68 11.726 -4.298 -7.807 496 H LYS 69 H LYS 69 13.353 -7.693 -6.163 497 HA LYS 69 HA LYS 69 16.136 -7.243 -5.983 498 HB2 LYS 69 2HB LYS 69 14.239 -8.702 -4.673 499 HB3 LYS 69 1HB LYS 69 15.152 -9.990 -5.460 500 HG2 LYS 69 2HG LYS 69 17.210 -8.519 -4.549 501 HG3 LYS 69 1HG LYS 69 16.006 -8.087 -3.334 502 HD2 LYS 69 2HD LYS 69 15.895 -10.220 -2.482 503 HD3 LYS 69 1HD LYS 69 16.242 -10.973 -4.038 504 HE2 LYS 69 2HE LYS 69 18.401 -9.342 -2.735 505 HE3 LYS 69 1HE LYS 69 18.088 -10.985 -2.139 506 HZ1 LYS 69 3HZ LYS 69 19.678 -10.908 -4.026 507 HZ2 LYS 69 1HZ LYS 69 18.438 -10.291 -5.006 508 HZ3 LYS 69 2HZ LYS 69 18.299 -11.848 -4.341 509 H ALA 70 H ALA 70 14.584 -10.099 -7.503 510 HA ALA 70 HA ALA 70 16.951 -11.088 -8.766 511 HB1 ALA 70 1HB ALA 70 15.334 -12.440 -10.043 512 HB2 ALA 70 2HB ALA 70 14.033 -11.346 -9.570 513 HB3 ALA 70 3HB ALA 70 14.837 -12.337 -8.353 514 H PHE 71 H PHE 71 14.596 -8.659 -9.731 515 HA PHE 71 HA PHE 71 15.179 -8.486 -12.516 516 HB2 PHE 71 2HB PHE 71 13.536 -7.260 -10.651 517 HB3 PHE 71 1HB PHE 71 14.618 -5.952 -11.128 518 HD1 PHE 71 2HD PHE 71 15.133 -5.978 -13.803 519 HD2 PHE 71 1HD PHE 71 11.592 -7.484 -11.898 520 HE1 PHE 71 2HE PHE 71 13.878 -5.713 -15.927 521 HE2 PHE 71 1HE PHE 71 10.336 -7.218 -14.020 522 HZ PHE 71 HZ PHE 71 11.481 -6.334 -16.035 523 H LYS 72 H LYS 72 16.369 -6.287 -9.938 524 HA LYS 72 HA LYS 72 18.362 -5.014 -11.531 525 HB2 LYS 72 2HB LYS 72 19.226 -4.289 -9.321 526 HB3 LYS 72 1HB LYS 72 17.468 -4.172 -9.389 527 HG2 LYS 72 2HG LYS 72 17.203 -6.208 -8.135 528 HG3 LYS 72 1HG LYS 72 18.922 -6.578 -8.263 529 HD2 LYS 72 2HD LYS 72 19.472 -4.607 -6.914 530 HD3 LYS 72 1HD LYS 72 17.765 -4.172 -6.824 531 HE2 LYS 72 2HE LYS 72 17.304 -5.788 -5.257 532 HE3 LYS 72 1HE LYS 72 18.460 -6.938 -5.958 533 HZ1 LYS 72 3HZ LYS 72 20.267 -5.506 -5.165 534 HZ2 LYS 72 1HZ LYS 72 19.324 -6.090 -3.882 535 HZ3 LYS 72 2HZ LYS 72 19.134 -4.488 -4.414 536 H ASP 73 H ASP 73 18.376 -8.084 -9.839 537 HA ASP 73 HA ASP 73 21.244 -8.453 -9.735 538 HB2 ASP 73 2HB ASP 73 19.547 -9.631 -8.344 539 HB3 ASP 73 1HB ASP 73 18.962 -10.456 -9.789 540 H ILE 74 H ILE 74 18.731 -9.719 -11.961 541 HA ILE 74 HA ILE 74 20.290 -11.244 -13.708 542 HB ILE 74 HB ILE 74 17.983 -9.355 -14.289 543 HG12 ILE 74 2HG1 ILE 74 17.681 -12.313 -14.060 544 HG13 ILE 74 1HG1 ILE 74 17.962 -11.424 -12.564 545 HG21 ILE 74 1HG2 ILE 74 19.036 -11.721 -15.874 546 HG22 ILE 74 2HG2 ILE 74 19.120 -10.029 -16.366 547 HG23 ILE 74 3HG2 ILE 74 17.555 -10.833 -16.235 548 HD11 ILE 74 3HD1 ILE 74 15.684 -11.179 -12.633 549 HD12 ILE 74 1HD1 ILE 74 15.614 -11.371 -14.385 550 HD13 ILE 74 2HD1 ILE 74 16.095 -9.825 -13.685 551 H ASP 75 H ASP 75 19.813 -7.705 -13.784 552 HA ASP 75 HA ASP 75 21.225 -7.112 -16.177 553 HB2 ASP 75 2HB ASP 75 20.704 -5.698 -13.564 554 HB3 ASP 75 1HB ASP 75 21.656 -4.917 -14.828 555 H ALA 76 H ALA 76 22.383 -7.624 -12.864 556 HA ALA 76 HA ALA 76 25.067 -6.794 -13.103 557 HB1 ALA 76 1HB ALA 76 25.341 -7.994 -11.105 558 HB2 ALA 76 2HB ALA 76 24.247 -9.279 -11.617 559 HB3 ALA 76 3HB ALA 76 23.601 -7.710 -11.137 560 H ALA 77 H ALA 77 23.495 -9.609 -14.475 561 HA ALA 77 HA ALA 77 26.095 -10.899 -15.112 562 HB1 ALA 77 1HB ALA 77 23.183 -11.665 -15.499 563 HB2 ALA 77 2HB ALA 77 24.271 -12.269 -14.249 564 HB3 ALA 77 3HB ALA 77 24.543 -12.697 -15.938 565 H ILE 78 H ILE 78 23.670 -8.871 -16.575 566 HA ILE 78 HA ILE 78 24.182 -9.636 -19.335 567 HB ILE 78 HB ILE 78 22.973 -7.138 -18.102 568 HG12 ILE 78 2HG1 ILE 78 21.623 -9.649 -19.147 569 HG13 ILE 78 1HG1 ILE 78 21.891 -9.308 -17.438 570 HG21 ILE 78 1HG2 ILE 78 22.823 -8.324 -20.888 571 HG22 ILE 78 2HG2 ILE 78 23.560 -6.787 -20.437 572 HG23 ILE 78 3HG2 ILE 78 21.813 -6.996 -20.317 573 HD11 ILE 78 3HD1 ILE 78 19.775 -8.421 -17.645 574 HD12 ILE 78 1HD1 ILE 78 19.992 -8.030 -19.350 575 HD13 ILE 78 2HD1 ILE 78 20.711 -7.002 -18.111 576 H ILE 79 H ILE 79 26.029 -7.885 -17.077 577 HA ILE 79 HA ILE 79 27.394 -6.331 -19.243 578 HB ILE 79 HB ILE 79 27.349 -5.995 -16.223 579 HG12 ILE 79 2HG1 ILE 79 26.003 -4.381 -18.418 580 HG13 ILE 79 1HG1 ILE 79 25.177 -5.527 -17.362 581 HG21 ILE 79 1HG2 ILE 79 29.315 -5.142 -17.897 582 HG22 ILE 79 2HG2 ILE 79 28.824 -4.260 -16.451 583 HG23 ILE 79 3HG2 ILE 79 28.187 -3.793 -18.028 584 HD11 ILE 79 3HD1 ILE 79 26.549 -3.917 -15.569 585 HD12 ILE 79 1HD1 ILE 79 24.841 -3.769 -15.978 586 HD13 ILE 79 2HD1 ILE 79 26.035 -2.779 -16.815 587 H GLN 80 H GLN 80 27.934 -8.448 -16.427 588 HA GLN 80 HA GLN 80 30.819 -8.691 -17.031 589 HB2 GLN 80 2HB GLN 80 28.913 -9.792 -14.948 590 HB3 GLN 80 1HB GLN 80 30.611 -10.266 -15.015 591 HG2 GLN 80 2HG GLN 80 29.989 -7.347 -15.078 592 HG3 GLN 80 1HG GLN 80 29.803 -8.191 -13.539 593 HE21 GLN 80 1HE2 GLN 80 32.180 -7.462 -16.113 594 HE22 GLN 80 2HE2 GLN 80 33.549 -7.732 -15.145 595 H ASN 81 H ASN 81 27.824 -10.511 -17.373 596 HA ASN 81 HA ASN 81 29.324 -12.766 -18.664 597 HB2 ASN 81 2HB ASN 81 26.939 -12.485 -16.915 598 HB3 ASN 81 1HB ASN 81 26.805 -13.691 -18.194 599 HD21 ASN 81 1HD2 ASN 81 27.393 -13.756 -15.073 600 HD22 ASN 81 2HD2 ASN 81 28.674 -14.863 -14.971 601 H PHE 82 H PHE 82 27.437 -10.067 -19.372 602 HA PHE 82 HA PHE 82 26.340 -9.320 -21.275 603 HB2 PHE 82 2HB PHE 82 27.362 -9.937 -23.222 604 HB3 PHE 82 1HB PHE 82 28.472 -10.737 -22.127 605 HD1 PHE 82 2HD PHE 82 25.231 -11.419 -23.930 606 HD2 PHE 82 1HD PHE 82 28.989 -12.975 -22.542 607 HE1 PHE 82 2HE PHE 82 24.751 -13.578 -25.047 608 HE2 PHE 82 1HE PHE 82 28.512 -15.128 -23.671 609 HZ PHE 82 HZ PHE 82 26.392 -15.432 -24.920 610 H ARG 83 H ARG 83 25.644 -12.470 -20.009 611 HA ARG 83 HA ARG 83 23.735 -13.832 -20.122 612 HB2 ARG 83 2HB ARG 83 22.855 -10.956 -20.025 613 HB3 ARG 83 1HB ARG 83 21.687 -12.273 -19.911 614 HG2 ARG 83 2HG ARG 83 24.135 -12.146 -18.149 615 HG3 ARG 83 1HG ARG 83 22.613 -11.378 -17.694 616 HD2 ARG 83 2HD ARG 83 22.938 -14.325 -18.373 617 HD3 ARG 83 1HD ARG 83 22.770 -13.662 -16.736 618 HE ARG 83 HE ARG 83 20.620 -12.566 -18.074 619 HH11 ARG 83 1HH2 ARG 83 21.824 -15.811 -17.665 620 HH12 ARG 83 2HH2 ARG 83 20.253 -16.524 -17.788 621 HH21 ARG 83 1HH1 ARG 83 18.597 -13.518 -18.228 622 HH22 ARG 83 2HH1 ARG 83 18.439 -15.238 -18.104 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 16.853 -0.936 -31.600 2 H2 GLY 1 2HT GLY 1 16.651 0.325 -30.479 3 H3 GLY 1 3HT GLY 1 15.402 -0.798 -30.733 4 HA2 GLY 1 2HA GLY 1 17.114 -2.543 -29.986 5 HA3 GLY 1 1HA GLY 1 17.951 -1.150 -29.300 6 H SER 2 H SER 2 16.188 0.421 -28.188 7 HA SER 2 HA SER 2 14.013 -0.991 -26.820 8 HB2 SER 2 2HB SER 2 15.067 -0.894 -24.611 9 HB3 SER 2 1HB SER 2 16.105 -1.795 -25.713 10 HG SER 2 HG SER 2 17.353 0.065 -25.975 11 H HIS 3 H HIS 3 13.347 0.586 -24.832 12 HA HIS 3 HA HIS 3 13.161 3.313 -26.030 13 HB2 HIS 3 2HB HIS 3 11.577 1.679 -24.046 14 HB3 HIS 3 1HB HIS 3 11.313 3.415 -24.208 15 HD1 HIS 3 1HD HIS 3 9.411 0.890 -25.146 16 HD2 HIS 3 2HD HIS 3 11.592 3.497 -27.561 17 HE1 HIS 3 1HE HIS 3 8.315 0.838 -27.430 18 H MET 4 H MET 4 15.420 3.789 -25.243 19 HA MET 4 HA MET 4 16.921 4.734 -23.680 20 HB2 MET 4 2HB MET 4 14.150 5.605 -22.991 21 HB3 MET 4 1HB MET 4 15.419 5.969 -21.821 22 HG2 MET 4 2HG MET 4 16.662 7.236 -23.404 23 HG3 MET 4 1HG MET 4 15.726 6.604 -24.758 24 HE1 MET 4 3HE MET 4 13.183 8.937 -25.449 25 HE2 MET 4 1HE MET 4 12.820 7.287 -24.924 26 HE3 MET 4 2HE MET 4 14.281 7.620 -25.852 27 H ALA 5 H ALA 5 17.831 2.812 -22.782 28 HA ALA 5 HA ALA 5 17.088 2.286 -19.980 29 HB1 ALA 5 1HB ALA 5 15.684 0.915 -21.776 30 HB2 ALA 5 2HB ALA 5 16.254 0.138 -20.299 31 HB3 ALA 5 3HB ALA 5 17.134 -0.087 -21.810 32 H THR 6 H THR 6 19.293 2.969 -19.600 33 HA THR 6 HA THR 6 21.517 1.549 -20.899 34 HB THR 6 HB THR 6 22.839 3.048 -19.401 35 HG1 THR 6 1HG THR 6 21.828 4.253 -17.913 36 HG21 THR 6 3HG2 THR 6 22.256 4.041 -21.467 37 HG22 THR 6 1HG2 THR 6 21.762 5.228 -20.260 38 HG23 THR 6 2HG2 THR 6 20.558 4.183 -21.015 39 HA PRO 7 HA PRO 7 22.006 -1.729 -18.008 40 HB2 PRO 7 2HB PRO 7 24.895 -1.123 -17.812 41 HB3 PRO 7 1HB PRO 7 24.091 -2.588 -18.404 42 HG2 PRO 7 2HG PRO 7 25.327 -0.847 -20.042 43 HG3 PRO 7 1HG PRO 7 23.915 -1.796 -20.533 44 HD2 PRO 7 2HD PRO 7 24.101 1.084 -19.837 45 HD3 PRO 7 1HD PRO 7 23.027 0.258 -20.988 46 H TRP 8 H TRP 8 23.647 -2.026 -15.857 47 HA TRP 8 HA TRP 8 23.482 -1.488 -13.544 48 HB2 TRP 8 2HB TRP 8 24.839 0.864 -13.395 49 HB3 TRP 8 1HB TRP 8 25.606 -0.692 -13.666 50 HD1 TRP 8 HD TRP 8 24.235 2.300 -15.688 51 HE1 TRP 8 1HE TRP 8 25.601 2.490 -17.865 52 HE3 TRP 8 3HE TRP 8 27.208 -1.821 -15.221 53 HZ2 TRP 8 2HZ TRP 8 27.686 1.079 -19.225 54 HZ3 TRP 8 3HZ TRP 8 28.879 -2.370 -16.966 55 HH2 TRP 8 HH TRP 8 29.121 -0.927 -18.967 56 H SER 9 H SER 9 20.985 -0.963 -14.232 57 HA SER 9 HA SER 9 20.428 1.677 -12.943 58 HB2 SER 9 2HB SER 9 18.510 1.763 -14.707 59 HB3 SER 9 1HB SER 9 20.145 2.144 -15.241 60 HG SER 9 HG SER 9 18.552 0.285 -16.172 61 H GLY 10 H GLY 10 18.058 -0.527 -14.385 62 HA2 GLY 10 2HA GLY 10 16.420 -1.887 -13.416 63 HA3 GLY 10 1HA GLY 10 17.469 -2.018 -12.004 64 H TYR 11 H TYR 11 17.497 -0.055 -10.571 65 HA TYR 11 HA TYR 11 14.727 0.781 -10.029 66 HB2 TYR 11 2HB TYR 11 17.372 0.734 -8.675 67 HB3 TYR 11 1HB TYR 11 16.250 1.987 -8.143 68 HD1 TYR 11 2HD TYR 11 16.477 -1.688 -8.807 69 HD2 TYR 11 1HD TYR 11 14.494 1.464 -6.666 70 HE1 TYR 11 2HE TYR 11 15.218 -3.373 -7.492 71 HE2 TYR 11 1HE TYR 11 13.236 -0.221 -5.351 72 HH TYR 11 HH TYR 11 13.515 -2.606 -4.677 73 H LEU 12 H LEU 12 17.452 2.104 -11.684 74 HA LEU 12 HA LEU 12 17.145 4.894 -11.191 75 HB2 LEU 12 2HB LEU 12 18.271 3.112 -13.297 76 HB3 LEU 12 1HB LEU 12 18.024 4.801 -13.739 77 HG LEU 12 HG LEU 12 19.285 5.463 -11.674 78 HD11 LEU 12 1HD1 LEU 12 19.204 3.699 -10.172 79 HD12 LEU 12 2HD1 LEU 12 20.790 3.418 -10.890 80 HD13 LEU 12 3HD1 LEU 12 19.398 2.481 -11.433 81 HD21 LEU 12 3HD2 LEU 12 21.396 5.188 -12.684 82 HD22 LEU 12 1HD2 LEU 12 20.284 5.040 -14.046 83 HD23 LEU 12 2HD2 LEU 12 20.986 3.594 -13.319 84 H ASP 13 H ASP 13 15.226 2.669 -13.102 85 HA ASP 13 HA ASP 13 13.123 4.642 -13.489 86 HB2 ASP 13 2HB ASP 13 15.034 5.159 -15.161 87 HB3 ASP 13 1HB ASP 13 14.522 3.689 -15.991 88 H ASP 14 H ASP 14 14.545 1.570 -14.594 89 HA ASP 14 HA ASP 14 12.281 0.308 -15.696 90 HB2 ASP 14 2HB ASP 14 14.858 -0.426 -14.487 91 HB3 ASP 14 1HB ASP 14 13.643 -1.702 -14.404 92 H VAL 15 H VAL 15 13.427 -0.779 -12.577 93 HA VAL 15 HA VAL 15 11.035 -1.871 -11.636 94 HB VAL 15 HB VAL 15 13.282 -0.499 -10.142 95 HG11 VAL 15 1HG1 VAL 15 11.192 -2.513 -9.307 96 HG12 VAL 15 2HG1 VAL 15 11.459 -0.901 -8.642 97 HG13 VAL 15 3HG1 VAL 15 12.647 -2.177 -8.368 98 HG21 VAL 15 3HG2 VAL 15 14.371 -2.098 -11.410 99 HG22 VAL 15 1HG2 VAL 15 12.952 -3.139 -11.506 100 HG23 VAL 15 2HG2 VAL 15 13.905 -3.081 -10.022 101 H SER 16 H SER 16 12.220 1.453 -11.274 102 HA SER 16 HA SER 16 10.392 2.472 -9.414 103 HB2 SER 16 2HB SER 16 12.168 3.815 -10.138 104 HB3 SER 16 1HB SER 16 11.810 3.533 -11.840 105 HG SER 16 HG SER 16 10.682 5.321 -10.027 106 H ALA 17 H ALA 17 9.844 1.780 -12.858 107 HA ALA 17 HA ALA 17 7.273 3.145 -13.002 108 HB1 ALA 17 1HB ALA 17 9.064 2.327 -14.799 109 HB2 ALA 17 2HB ALA 17 7.354 2.449 -15.215 110 HB3 ALA 17 3HB ALA 17 8.052 0.883 -14.802 111 H LYS 18 H LYS 18 8.303 -0.201 -12.415 112 HA LYS 18 HA LYS 18 5.499 -1.150 -12.217 113 HB2 LYS 18 2HB LYS 18 8.183 -2.512 -11.793 114 HB3 LYS 18 1HB LYS 18 6.628 -3.334 -11.901 115 HG2 LYS 18 2HG LYS 18 7.667 -1.545 -14.108 116 HG3 LYS 18 1HG LYS 18 8.017 -3.274 -14.049 117 HD2 LYS 18 2HD LYS 18 5.193 -2.216 -13.876 118 HD3 LYS 18 1HD LYS 18 5.964 -2.563 -15.424 119 HE2 LYS 18 2HE LYS 18 6.054 -4.665 -13.280 120 HE3 LYS 18 1HE LYS 18 4.561 -4.454 -14.217 121 HZ1 LYS 18 3HZ LYS 18 7.263 -4.690 -15.428 122 HZ2 LYS 18 1HZ LYS 18 5.777 -4.663 -16.245 123 HZ3 LYS 18 2HZ LYS 18 6.184 -5.993 -15.270 124 H PHE 19 H PHE 19 8.158 -0.184 -10.191 125 HA PHE 19 HA PHE 19 6.909 -1.224 -7.718 126 HB2 PHE 19 2HB PHE 19 9.469 -1.029 -8.629 127 HB3 PHE 19 1HB PHE 19 9.357 0.458 -7.690 128 HD1 PHE 19 2HD PHE 19 7.926 0.016 -5.376 129 HD2 PHE 19 1HD PHE 19 10.353 -2.834 -7.478 130 HE1 PHE 19 2HE PHE 19 8.205 -1.286 -3.281 131 HE2 PHE 19 1HE PHE 19 10.635 -4.137 -5.384 132 HZ PHE 19 HZ PHE 19 9.561 -3.362 -3.287 133 H ASP 20 H ASP 20 8.292 1.943 -8.764 134 HA ASP 20 HA ASP 20 6.889 3.422 -6.709 135 HB2 ASP 20 2HB ASP 20 8.921 3.823 -8.633 136 HB3 ASP 20 1HB ASP 20 7.661 4.991 -9.027 137 H THR 21 H THR 21 6.516 3.920 -10.236 138 HA THR 21 HA THR 21 3.922 5.077 -10.078 139 HB THR 21 HB THR 21 5.206 3.467 -12.311 140 HG1 THR 21 1HG THR 21 6.529 5.071 -12.404 141 HG21 THR 21 3HG2 THR 21 3.790 4.769 -13.794 142 HG22 THR 21 1HG2 THR 21 3.155 5.693 -12.433 143 HG23 THR 21 2HG2 THR 21 2.772 3.978 -12.591 144 H GLY 22 H GLY 22 4.932 1.696 -10.534 145 HA2 GLY 22 2HA GLY 22 2.371 0.567 -11.027 146 HA3 GLY 22 1HA GLY 22 3.731 -0.306 -10.324 147 H VAL 23 H VAL 23 4.140 0.372 -7.914 148 HA VAL 23 HA VAL 23 1.854 -0.412 -6.395 149 HB VAL 23 HB VAL 23 4.360 1.061 -5.546 150 HG11 VAL 23 1HG1 VAL 23 2.737 -0.892 -3.925 151 HG12 VAL 23 2HG1 VAL 23 2.373 0.835 -3.921 152 HG13 VAL 23 3HG1 VAL 23 3.944 0.264 -3.360 153 HG21 VAL 23 3HG2 VAL 23 4.218 -1.363 -6.861 154 HG22 VAL 23 1HG2 VAL 23 4.188 -1.856 -5.169 155 HG23 VAL 23 2HG2 VAL 23 5.525 -0.882 -5.780 156 H ASP 24 H ASP 24 3.281 2.825 -6.953 157 HA ASP 24 HA ASP 24 1.575 4.330 -5.241 158 HB2 ASP 24 2HB ASP 24 3.619 5.138 -6.428 159 HB3 ASP 24 1HB ASP 24 2.734 5.067 -7.952 160 H ASN 25 H ASN 25 1.161 3.264 -8.611 161 HA ASN 25 HA ASN 25 -1.350 4.560 -9.115 162 HB2 ASN 25 2HB ASN 25 0.164 3.579 -10.824 163 HB3 ASN 25 1HB ASN 25 -0.178 1.969 -10.191 164 HD21 ASN 25 1HD2 ASN 25 -1.226 4.313 -12.451 165 HD22 ASN 25 2HD2 ASN 25 -2.738 3.630 -12.812 166 H LEU 26 H LEU 26 -0.489 1.361 -7.796 167 HA LEU 26 HA LEU 26 -3.187 0.367 -7.543 168 HB2 LEU 26 2HB LEU 26 -0.505 -0.449 -7.014 169 HB3 LEU 26 1HB LEU 26 -1.405 -0.647 -5.515 170 HG LEU 26 HG LEU 26 -2.294 -1.711 -8.198 171 HD11 LEU 26 1HD1 LEU 26 -0.594 -3.176 -7.754 172 HD12 LEU 26 2HD1 LEU 26 -1.825 -3.910 -6.729 173 HD13 LEU 26 3HD1 LEU 26 -0.615 -2.838 -6.025 174 HD21 LEU 26 3HD2 LEU 26 -3.517 -3.058 -6.035 175 HD22 LEU 26 1HD2 LEU 26 -4.285 -1.962 -7.183 176 HD23 LEU 26 2HD2 LEU 26 -3.631 -1.336 -5.670 177 H GLN 27 H GLN 27 -1.165 2.441 -5.536 178 HA GLN 27 HA GLN 27 -2.827 2.246 -3.150 179 HB2 GLN 27 2HB GLN 27 -0.286 2.996 -3.697 180 HB3 GLN 27 1HB GLN 27 -1.053 4.583 -3.647 181 HG2 GLN 27 2HG GLN 27 -1.712 2.647 -1.468 182 HG3 GLN 27 1HG GLN 27 -0.130 3.426 -1.430 183 HE21 GLN 27 1HE2 GLN 27 -0.403 5.978 -2.030 184 HE22 GLN 27 2HE2 GLN 27 -1.625 6.759 -1.148 185 H THR 28 H THR 28 -2.575 4.498 -5.899 186 HA THR 28 HA THR 28 -4.547 6.342 -4.740 187 HB THR 28 HB THR 28 -2.573 6.951 -6.218 188 HG1 THR 28 1HG THR 28 -3.756 8.641 -6.456 189 HG21 THR 28 3HG2 THR 28 -2.777 5.148 -7.864 190 HG22 THR 28 1HG2 THR 28 -2.912 6.712 -8.665 191 HG23 THR 28 2HG2 THR 28 -4.358 5.751 -8.358 192 H GLN 29 H GLN 29 -4.554 3.594 -6.930 193 HA GLN 29 HA GLN 29 -7.032 4.074 -8.266 194 HB2 GLN 29 2HB GLN 29 -5.065 2.034 -8.049 195 HB3 GLN 29 1HB GLN 29 -6.616 1.276 -7.712 196 HG2 GLN 29 2HG GLN 29 -5.880 2.894 -10.167 197 HG3 GLN 29 1HG GLN 29 -6.229 1.168 -10.102 198 HE21 GLN 29 1HE2 GLN 29 -8.543 1.618 -8.170 199 HE22 GLN 29 2HE2 GLN 29 -9.788 2.261 -9.124 200 H VAL 30 H VAL 30 -6.359 2.238 -5.241 201 HA VAL 30 HA VAL 30 -9.120 1.612 -4.742 202 HB VAL 30 HB VAL 30 -8.135 1.691 -2.229 203 HG11 VAL 30 1HG1 VAL 30 -7.015 -0.611 -3.600 204 HG12 VAL 30 2HG1 VAL 30 -8.633 -0.238 -4.191 205 HG13 VAL 30 3HG1 VAL 30 -8.367 -0.526 -2.473 206 HG21 VAL 30 3HG2 VAL 30 -5.957 2.665 -3.329 207 HG22 VAL 30 1HG2 VAL 30 -5.654 0.980 -3.755 208 HG23 VAL 30 2HG2 VAL 30 -5.830 1.444 -2.063 209 H THR 31 H THR 31 -7.151 4.468 -4.128 210 HA THR 31 HA THR 31 -8.915 5.834 -2.330 211 HB THR 31 HB THR 31 -7.340 7.146 -4.554 212 HG1 THR 31 1HG THR 31 -6.318 6.051 -2.145 213 HG21 THR 31 3HG2 THR 31 -7.700 7.840 -1.629 214 HG22 THR 31 1HG2 THR 31 -8.692 8.495 -2.930 215 HG23 THR 31 2HG2 THR 31 -6.967 8.853 -2.871 216 H GLU 32 H GLU 32 -8.690 5.747 -5.900 217 HA GLU 32 HA GLU 32 -11.018 7.353 -6.453 218 HB2 GLU 32 2HB GLU 32 -9.803 5.007 -7.973 219 HB3 GLU 32 1HB GLU 32 -10.883 6.220 -8.656 220 HG2 GLU 32 2HG GLU 32 -8.150 6.779 -7.477 221 HG3 GLU 32 1HG GLU 32 -8.522 6.697 -9.197 222 H ALA 33 H ALA 33 -10.446 3.852 -6.213 223 HA ALA 33 HA ALA 33 -13.070 2.857 -6.481 224 HB1 ALA 33 1HB ALA 33 -10.956 1.890 -4.524 225 HB2 ALA 33 2HB ALA 33 -10.817 1.643 -6.260 226 HB3 ALA 33 3HB ALA 33 -12.150 0.908 -5.368 227 H LEU 34 H LEU 34 -11.561 4.606 -3.840 228 HA LEU 34 HA LEU 34 -13.530 3.941 -1.797 229 HB2 LEU 34 2HB LEU 34 -11.046 4.864 -1.709 230 HB3 LEU 34 1HB LEU 34 -11.839 6.434 -1.837 231 HG LEU 34 HG LEU 34 -13.342 5.641 0.096 232 HD11 LEU 34 1HD1 LEU 34 -11.049 3.775 0.673 233 HD12 LEU 34 2HD1 LEU 34 -12.445 3.224 -0.252 234 HD13 LEU 34 3HD1 LEU 34 -12.655 3.805 1.400 235 HD21 LEU 34 3HD2 LEU 34 -10.374 6.143 0.446 236 HD22 LEU 34 1HD2 LEU 34 -11.523 6.165 1.783 237 HD23 LEU 34 2HD2 LEU 34 -11.670 7.339 0.474 238 H ASP 35 H ASP 35 -12.825 6.968 -3.585 239 HA ASP 35 HA ASP 35 -15.237 8.337 -2.875 240 HB2 ASP 35 2HB ASP 35 -13.094 8.513 -4.952 241 HB3 ASP 35 1HB ASP 35 -14.571 9.433 -5.244 242 H LYS 36 H LYS 36 -14.514 5.907 -5.290 243 HA LYS 36 HA LYS 36 -16.997 6.261 -6.804 244 HB2 LYS 36 2HB LYS 36 -14.458 5.037 -7.100 245 HB3 LYS 36 1HB LYS 36 -15.623 3.731 -7.151 246 HG2 LYS 36 2HG LYS 36 -16.263 4.312 -9.229 247 HG3 LYS 36 1HG LYS 36 -16.586 5.967 -8.712 248 HD2 LYS 36 2HD LYS 36 -14.853 5.901 -10.483 249 HD3 LYS 36 1HD LYS 36 -14.201 6.530 -8.970 250 HE2 LYS 36 2HE LYS 36 -12.714 4.821 -8.806 251 HE3 LYS 36 1HE LYS 36 -13.966 3.610 -9.143 252 HZ1 LYS 36 3HZ LYS 36 -12.452 3.618 -10.973 253 HZ2 LYS 36 1HZ LYS 36 -12.536 5.306 -11.119 254 HZ3 LYS 36 2HZ LYS 36 -13.891 4.353 -11.498 255 H LEU 37 H LEU 37 -15.671 4.082 -4.322 256 HA LEU 37 HA LEU 37 -17.790 2.177 -4.231 257 HB2 LEU 37 2HB LEU 37 -15.846 1.614 -3.040 258 HB3 LEU 37 1HB LEU 37 -15.684 3.228 -2.355 259 HG LEU 37 HG LEU 37 -17.575 2.818 -0.853 260 HD11 LEU 37 1HD1 LEU 37 -18.822 1.321 -2.430 261 HD12 LEU 37 2HD1 LEU 37 -18.726 0.679 -0.790 262 HD13 LEU 37 3HD1 LEU 37 -17.675 0.035 -2.052 263 HD21 LEU 37 3HD2 LEU 37 -15.660 2.141 0.257 264 HD22 LEU 37 1HD2 LEU 37 -15.283 0.898 -0.937 265 HD23 LEU 37 2HD2 LEU 37 -16.558 0.623 0.250 266 H ALA 38 H ALA 38 -17.238 4.937 -2.027 267 HA ALA 38 HA ALA 38 -19.826 4.900 -0.823 268 HB1 ALA 38 1HB ALA 38 -18.411 7.486 -1.196 269 HB2 ALA 38 2HB ALA 38 -17.467 6.188 -0.465 270 HB3 ALA 38 3HB ALA 38 -18.971 6.716 0.289 271 H ALA 39 H ALA 39 -18.733 6.031 -3.930 272 HA ALA 39 HA ALA 39 -20.655 8.008 -4.612 273 HB1 ALA 39 1HB ALA 39 -18.579 6.663 -5.809 274 HB2 ALA 39 2HB ALA 39 -19.689 7.716 -6.682 275 HB3 ALA 39 3HB ALA 39 -19.958 5.974 -6.660 276 H LYS 40 H LYS 40 -20.742 4.561 -5.484 277 HA LYS 40 HA LYS 40 -23.655 4.629 -5.914 278 HB2 LYS 40 2HB LYS 40 -21.311 3.019 -6.597 279 HB3 LYS 40 1HB LYS 40 -22.647 2.002 -6.063 280 HG2 LYS 40 2HG LYS 40 -22.785 2.344 -8.480 281 HG3 LYS 40 1HG LYS 40 -24.138 3.155 -7.689 282 HD2 LYS 40 2HD LYS 40 -22.711 5.269 -7.699 283 HD3 LYS 40 1HD LYS 40 -21.608 4.410 -8.775 284 HE2 LYS 40 2HE LYS 40 -23.061 4.512 -10.554 285 HE3 LYS 40 1HE LYS 40 -24.494 4.337 -9.521 286 HZ1 LYS 40 3HZ LYS 40 -24.294 6.602 -10.384 287 HZ2 LYS 40 1HZ LYS 40 -22.763 6.750 -9.670 288 HZ3 LYS 40 2HZ LYS 40 -24.142 6.573 -8.693 289 HA PRO 41 HA PRO 41 -24.678 3.366 -1.787 290 HB2 PRO 41 2HB PRO 41 -26.809 1.657 -2.414 291 HB3 PRO 41 1HB PRO 41 -26.937 3.408 -2.172 292 HG2 PRO 41 2HG PRO 41 -26.837 1.852 -4.687 293 HG3 PRO 41 1HG PRO 41 -27.673 3.370 -4.325 294 HD2 PRO 41 2HD PRO 41 -25.403 3.255 -5.799 295 HD3 PRO 41 1HD PRO 41 -25.824 4.651 -4.781 296 H SER 42 H SER 42 -25.613 0.831 -0.988 297 HA SER 42 HA SER 42 -23.297 -0.784 -0.875 298 HB2 SER 42 2HB SER 42 -26.246 -1.501 -0.767 299 HB3 SER 42 1HB SER 42 -24.951 -2.573 -0.241 300 HG SER 42 HG SER 42 -24.549 -1.288 1.436 301 H ASP 43 H ASP 43 -22.362 -0.968 -2.998 302 HA ASP 43 HA ASP 43 -23.975 -2.500 -4.997 303 HB2 ASP 43 2HB ASP 43 -21.946 -0.321 -5.073 304 HB3 ASP 43 1HB ASP 43 -21.938 -1.467 -6.414 305 HA PRO 44 HA PRO 44 -21.081 -5.829 -4.731 306 HB2 PRO 44 2HB PRO 44 -21.380 -6.859 -7.255 307 HB3 PRO 44 1HB PRO 44 -22.602 -7.053 -5.988 308 HG2 PRO 44 2HG PRO 44 -22.569 -5.264 -8.330 309 HG3 PRO 44 1HG PRO 44 -23.939 -6.027 -7.510 310 HD2 PRO 44 2HD PRO 44 -23.181 -3.378 -7.243 311 HD3 PRO 44 1HD PRO 44 -24.215 -4.272 -6.111 312 H ALA 45 H ALA 45 -21.046 -3.978 -7.723 313 HA ALA 45 HA ALA 45 -18.413 -4.793 -8.567 314 HB1 ALA 45 1HB ALA 45 -18.969 -2.690 -10.065 315 HB2 ALA 45 2HB ALA 45 -20.549 -2.845 -9.294 316 HB3 ALA 45 3HB ALA 45 -19.890 -4.186 -10.229 317 H LEU 46 H LEU 46 -19.589 -1.580 -7.424 318 HA LEU 46 HA LEU 46 -17.146 -0.217 -7.334 319 HB2 LEU 46 2HB LEU 46 -19.785 -0.108 -6.052 320 HB3 LEU 46 1HB LEU 46 -18.524 0.608 -5.059 321 HG LEU 46 HG LEU 46 -19.468 2.346 -6.454 322 HD11 LEU 46 1HD1 LEU 46 -16.928 2.196 -6.158 323 HD12 LEU 46 2HD1 LEU 46 -17.518 3.208 -7.476 324 HD13 LEU 46 3HD1 LEU 46 -16.883 1.603 -7.818 325 HD21 LEU 46 3HD2 LEU 46 -19.880 2.172 -8.726 326 HD22 LEU 46 1HD2 LEU 46 -20.163 0.508 -8.216 327 HD23 LEU 46 2HD2 LEU 46 -18.629 0.953 -8.966 328 H LEU 47 H LEU 47 -18.626 -1.907 -4.551 329 HA LEU 47 HA LEU 47 -16.430 -1.766 -2.760 330 HB2 LEU 47 2HB LEU 47 -18.971 -2.657 -2.700 331 HB3 LEU 47 1HB LEU 47 -18.147 -4.208 -2.860 332 HG LEU 47 HG LEU 47 -16.611 -3.145 -0.941 333 HD11 LEU 47 1HD1 LEU 47 -17.516 -1.115 -0.392 334 HD12 LEU 47 2HD1 LEU 47 -18.606 -2.104 0.578 335 HD13 LEU 47 3HD1 LEU 47 -19.110 -1.541 -1.015 336 HD21 LEU 47 3HD2 LEU 47 -19.255 -4.586 -0.779 337 HD22 LEU 47 1HD2 LEU 47 -18.355 -4.203 0.688 338 HD23 LEU 47 2HD2 LEU 47 -17.631 -5.232 -0.548 339 H ALA 48 H ALA 48 -17.349 -4.406 -4.993 340 HA ALA 48 HA ALA 48 -15.157 -6.159 -4.555 341 HB1 ALA 48 1HB ALA 48 -17.100 -6.785 -5.852 342 HB2 ALA 48 2HB ALA 48 -15.710 -6.846 -6.935 343 HB3 ALA 48 3HB ALA 48 -16.815 -5.473 -6.996 344 H ALA 49 H ALA 49 -15.452 -3.224 -6.446 345 HA ALA 49 HA ALA 49 -13.068 -3.506 -8.021 346 HB1 ALA 49 1HB ALA 49 -15.157 -1.969 -8.194 347 HB2 ALA 49 2HB ALA 49 -13.593 -1.301 -8.661 348 HB3 ALA 49 3HB ALA 49 -14.283 -0.915 -7.084 349 H TYR 50 H TYR 50 -13.650 -1.351 -5.159 350 HA TYR 50 HA TYR 50 -10.942 -0.637 -4.729 351 HB2 TYR 50 2HB TYR 50 -12.987 0.311 -3.642 352 HB3 TYR 50 1HB TYR 50 -13.104 -1.149 -2.663 353 HD1 TYR 50 1HD TYR 50 -10.879 -1.789 -1.342 354 HD2 TYR 50 2HD TYR 50 -11.831 2.129 -2.804 355 HE1 TYR 50 1HE TYR 50 -9.298 -0.795 0.277 356 HE2 TYR 50 2HE TYR 50 -10.250 3.124 -1.191 357 HH TYR 50 HH TYR 50 -7.992 1.246 0.564 358 H GLN 51 H GLN 51 -12.739 -3.516 -3.634 359 HA GLN 51 HA GLN 51 -10.622 -4.571 -1.965 360 HB2 GLN 51 2HB GLN 51 -13.024 -5.760 -3.385 361 HB3 GLN 51 1HB GLN 51 -12.008 -6.685 -2.279 362 HG2 GLN 51 2HG GLN 51 -12.448 -4.622 -0.674 363 HG3 GLN 51 1HG GLN 51 -13.875 -4.421 -1.689 364 HE21 GLN 51 1HE2 GLN 51 -15.507 -6.124 -1.645 365 HE22 GLN 51 2HE2 GLN 51 -15.507 -7.320 -0.442 366 H SER 52 H SER 52 -11.690 -5.249 -5.315 367 HA SER 52 HA SER 52 -9.853 -7.212 -6.095 368 HB2 SER 52 2HB SER 52 -11.739 -6.266 -7.433 369 HB3 SER 52 1HB SER 52 -10.821 -4.778 -7.646 370 HG SER 52 HG SER 52 -10.740 -6.673 -9.274 371 H LYS 53 H LYS 53 -9.436 -3.688 -5.987 372 HA LYS 53 HA LYS 53 -6.677 -3.733 -6.934 373 HB2 LYS 53 2HB LYS 53 -8.768 -1.861 -6.367 374 HB3 LYS 53 1HB LYS 53 -7.380 -1.397 -5.387 375 HG2 LYS 53 2HG LYS 53 -6.347 -0.556 -7.192 376 HG3 LYS 53 1HG LYS 53 -6.438 -2.117 -8.003 377 HD2 LYS 53 2HD LYS 53 -8.956 -0.531 -7.889 378 HD3 LYS 53 1HD LYS 53 -7.682 0.072 -8.952 379 HE2 LYS 53 2HE LYS 53 -7.700 -1.859 -10.293 380 HE3 LYS 53 1HE LYS 53 -8.463 -2.841 -9.027 381 HZ1 LYS 53 3HZ LYS 53 -9.727 -0.533 -10.413 382 HZ2 LYS 53 1HZ LYS 53 -10.448 -1.480 -9.205 383 HZ3 LYS 53 2HZ LYS 53 -10.078 -2.168 -10.714 384 H LEU 54 H LEU 54 -8.345 -3.858 -3.845 385 HA LEU 54 HA LEU 54 -6.132 -3.316 -2.101 386 HB2 LEU 54 2HB LEU 54 -8.725 -3.500 -1.753 387 HB3 LEU 54 1HB LEU 54 -8.398 -5.209 -1.488 388 HG LEU 54 HG LEU 54 -6.587 -4.391 0.172 389 HD11 LEU 54 1HD1 LEU 54 -7.794 -2.104 1.110 390 HD12 LEU 54 2HD1 LEU 54 -7.924 -1.890 -0.635 391 HD13 LEU 54 3HD1 LEU 54 -6.343 -2.132 0.109 392 HD21 LEU 54 3HD2 LEU 54 -8.119 -4.701 1.889 393 HD22 LEU 54 1HD2 LEU 54 -9.055 -5.324 0.531 394 HD23 LEU 54 2HD2 LEU 54 -9.341 -3.687 1.120 395 H SER 55 H SER 55 -7.668 -6.498 -2.692 396 HA SER 55 HA SER 55 -5.721 -8.170 -1.602 397 HB2 SER 55 2HB SER 55 -7.986 -8.743 -2.561 398 HB3 SER 55 1HB SER 55 -7.267 -8.658 -4.166 399 HG SER 55 HG SER 55 -7.262 -10.788 -3.332 400 H GLU 56 H GLU 56 -5.710 -6.636 -4.799 401 HA GLU 56 HA GLU 56 -3.326 -8.044 -5.740 402 HB2 GLU 56 2HB GLU 56 -5.228 -7.006 -7.104 403 HB3 GLU 56 1HB GLU 56 -4.528 -5.435 -6.711 404 HG2 GLU 56 2HG GLU 56 -3.464 -5.880 -8.726 405 HG3 GLU 56 1HG GLU 56 -2.301 -6.560 -7.586 406 H TYR 57 H TYR 57 -4.061 -4.988 -4.139 407 HA TYR 57 HA TYR 57 -1.440 -3.803 -4.481 408 HB2 TYR 57 2HB TYR 57 -3.537 -2.556 -4.100 409 HB3 TYR 57 1HB TYR 57 -3.681 -3.286 -2.506 410 HD1 TYR 57 2HD TYR 57 -0.591 -2.030 -4.226 411 HD2 TYR 57 1HD TYR 57 -3.428 -1.496 -1.053 412 HE1 TYR 57 2HE TYR 57 0.860 -0.291 -3.215 413 HE2 TYR 57 1HE TYR 57 -1.980 0.242 -0.035 414 HH TYR 57 HH TYR 57 1.138 0.634 -0.676 415 H ASN 58 H ASN 58 -3.063 -5.189 -1.584 416 HA ASN 58 HA ASN 58 -0.904 -5.073 0.211 417 HB2 ASN 58 2HB ASN 58 -3.345 -6.733 -0.192 418 HB3 ASN 58 1HB ASN 58 -2.142 -7.387 0.922 419 HD21 ASN 58 1HD2 ASN 58 -4.679 -5.068 0.604 420 HD22 ASN 58 2HD2 ASN 58 -4.437 -4.275 2.085 421 H LEU 59 H LEU 59 -1.686 -7.584 -2.196 422 HA LEU 59 HA LEU 59 0.581 -9.294 -1.581 423 HB2 LEU 59 2HB LEU 59 -1.670 -9.752 -2.832 424 HB3 LEU 59 1HB LEU 59 -0.858 -9.064 -4.235 425 HG LEU 59 HG LEU 59 -0.659 -11.533 -4.183 426 HD11 LEU 59 1HD1 LEU 59 1.529 -11.541 -4.911 427 HD12 LEU 59 2HD1 LEU 59 2.099 -10.582 -3.546 428 HD13 LEU 59 3HD1 LEU 59 1.249 -9.800 -4.878 429 HD21 LEU 59 3HD2 LEU 59 -0.603 -11.482 -1.568 430 HD22 LEU 59 1HD2 LEU 59 1.134 -11.263 -1.779 431 HD23 LEU 59 2HD2 LEU 59 0.345 -12.706 -2.415 432 H TYR 60 H TYR 60 -0.075 -6.589 -3.746 433 HA TYR 60 HA TYR 60 2.116 -6.576 -5.496 434 HB2 TYR 60 2HB TYR 60 0.067 -4.899 -4.720 435 HB3 TYR 60 1HB TYR 60 1.483 -3.992 -4.218 436 HD1 TYR 60 2HD TYR 60 0.402 -6.080 -7.150 437 HD2 TYR 60 1HD TYR 60 2.335 -2.512 -5.753 438 HE1 TYR 60 2HE TYR 60 0.730 -5.339 -9.489 439 HE2 TYR 60 1HE TYR 60 2.659 -1.769 -8.088 440 HH TYR 60 HH TYR 60 2.327 -3.812 -10.730 441 H ARG 61 H ARG 61 1.958 -4.967 -2.297 442 HA ARG 61 HA ARG 61 4.526 -3.978 -2.013 443 HB2 ARG 61 2HB ARG 61 2.317 -4.448 -0.423 444 HB3 ARG 61 1HB ARG 61 3.558 -5.428 0.359 445 HG2 ARG 61 2HG ARG 61 4.756 -3.607 1.031 446 HG3 ARG 61 1HG ARG 61 4.439 -2.726 -0.464 447 HD2 ARG 61 2HD ARG 61 2.614 -1.670 0.414 448 HD3 ARG 61 1HD ARG 61 2.052 -3.138 1.237 449 HE ARG 61 HE ARG 61 3.772 -1.108 2.400 450 HH11 ARG 61 1HH2 ARG 61 3.044 -4.514 2.338 451 HH12 ARG 61 2HH2 ARG 61 3.655 -4.786 3.933 452 HH21 ARG 61 1HH1 ARG 61 4.558 -1.488 4.467 453 HH22 ARG 61 2HH1 ARG 61 4.506 -3.087 5.130 454 H ASN 62 H ASN 62 3.555 -7.373 -1.419 455 HA ASN 62 HA ASN 62 6.267 -8.192 -0.685 456 HB2 ASN 62 2HB ASN 62 3.731 -9.705 -1.395 457 HB3 ASN 62 1HB ASN 62 5.176 -10.439 -0.699 458 HD21 ASN 62 1HD2 ASN 62 2.202 -9.049 0.126 459 HD22 ASN 62 2HD2 ASN 62 2.533 -8.696 1.754 460 H ALA 63 H ALA 63 4.106 -8.948 -3.451 461 HA ALA 63 HA ALA 63 5.877 -10.405 -5.058 462 HB1 ALA 63 1HB ALA 63 3.637 -10.259 -5.743 463 HB2 ALA 63 2HB ALA 63 4.451 -9.236 -6.927 464 HB3 ALA 63 3HB ALA 63 3.601 -8.504 -5.566 465 H GLN 64 H GLN 64 5.197 -6.931 -5.623 466 HA GLN 64 HA GLN 64 7.264 -6.355 -7.412 467 HB2 GLN 64 2HB GLN 64 5.535 -4.935 -5.514 468 HB3 GLN 64 1HB GLN 64 7.052 -4.087 -5.819 469 HG2 GLN 64 2HG GLN 64 5.198 -5.119 -7.988 470 HG3 GLN 64 1HG GLN 64 5.247 -3.447 -7.427 471 HE21 GLN 64 1HE2 GLN 64 6.449 -5.435 -9.829 472 HE22 GLN 64 2HE2 GLN 64 7.860 -4.573 -10.217 473 H SER 65 H SER 65 7.481 -6.716 -3.907 474 HA SER 65 HA SER 65 10.177 -5.625 -3.675 475 HB2 SER 65 2HB SER 65 8.182 -7.076 -1.979 476 HB3 SER 65 1HB SER 65 9.855 -7.032 -1.430 477 HG SER 65 HG SER 65 7.977 -5.082 -1.430 478 H ASN 66 H ASN 66 8.762 -8.824 -4.171 479 HA ASN 66 HA ASN 66 11.361 -10.192 -3.864 480 HB2 ASN 66 2HB ASN 66 9.106 -11.067 -3.114 481 HB3 ASN 66 1HB ASN 66 8.678 -11.235 -4.817 482 HD21 ASN 66 1HD2 ASN 66 9.114 -13.274 -5.656 483 HD22 ASN 66 2HD2 ASN 66 10.309 -14.333 -5.080 484 H THR 67 H THR 67 9.349 -8.906 -6.426 485 HA THR 67 HA THR 67 10.730 -10.420 -8.549 486 HB THR 67 HB THR 67 9.177 -9.070 -9.975 487 HG1 THR 67 1HG THR 67 9.052 -7.198 -8.803 488 HG21 THR 67 3HG2 THR 67 8.579 -11.185 -8.447 489 HG22 THR 67 1HG2 THR 67 7.361 -10.373 -9.430 490 HG23 THR 67 2HG2 THR 67 7.488 -10.013 -7.708 491 H ALA 68 H ALA 68 10.549 -7.047 -7.376 492 HA ALA 68 HA ALA 68 12.210 -5.835 -9.346 493 HB1 ALA 68 1HB ALA 68 10.759 -4.772 -7.557 494 HB2 ALA 68 2HB ALA 68 12.356 -4.044 -7.729 495 HB3 ALA 68 3HB ALA 68 12.031 -5.153 -6.397 496 H LYS 69 H LYS 69 13.055 -7.444 -6.279 497 HA LYS 69 HA LYS 69 15.812 -6.842 -6.144 498 HB2 LYS 69 2HB LYS 69 13.964 -8.983 -5.220 499 HB3 LYS 69 1HB LYS 69 15.686 -9.363 -5.158 500 HG2 LYS 69 2HG LYS 69 16.151 -7.567 -3.695 501 HG3 LYS 69 1HG LYS 69 14.626 -6.761 -4.062 502 HD2 LYS 69 2HD LYS 69 14.304 -7.743 -1.919 503 HD3 LYS 69 1HD LYS 69 13.474 -8.817 -3.046 504 HE2 LYS 69 2HE LYS 69 15.557 -10.240 -3.121 505 HE3 LYS 69 1HE LYS 69 16.222 -9.231 -1.822 506 HZ1 LYS 69 3HZ LYS 69 13.558 -10.525 -1.674 507 HZ2 LYS 69 1HZ LYS 69 14.405 -9.760 -0.420 508 HZ3 LYS 69 2HZ LYS 69 14.967 -11.236 -1.044 509 H ALA 70 H ALA 70 14.366 -9.814 -7.555 510 HA ALA 70 HA ALA 70 16.784 -10.777 -8.748 511 HB1 ALA 70 1HB ALA 70 14.904 -12.230 -8.387 512 HB2 ALA 70 2HB ALA 70 15.084 -12.092 -10.138 513 HB3 ALA 70 3HB ALA 70 13.831 -11.171 -9.304 514 H PHE 71 H PHE 71 14.318 -8.512 -9.858 515 HA PHE 71 HA PHE 71 14.939 -8.425 -12.634 516 HB2 PHE 71 2HB PHE 71 13.225 -7.184 -10.845 517 HB3 PHE 71 1HB PHE 71 14.262 -5.857 -11.363 518 HD1 PHE 71 1HD PHE 71 11.803 -8.378 -12.438 519 HD2 PHE 71 2HD PHE 71 14.321 -5.134 -13.695 520 HE1 PHE 71 1HE PHE 71 10.569 -8.253 -14.586 521 HE2 PHE 71 2HE PHE 71 13.088 -5.009 -15.843 522 HZ PHE 71 HZ PHE 71 11.212 -6.568 -16.290 523 H LYS 72 H LYS 72 16.038 -6.117 -10.110 524 HA LYS 72 HA LYS 72 17.990 -4.821 -11.748 525 HB2 LYS 72 2HB LYS 72 18.802 -3.973 -9.560 526 HB3 LYS 72 1HB LYS 72 17.043 -3.914 -9.661 527 HG2 LYS 72 2HG LYS 72 16.811 -5.880 -8.307 528 HG3 LYS 72 1HG LYS 72 18.535 -6.236 -8.415 529 HD2 LYS 72 2HD LYS 72 18.774 -3.824 -7.352 530 HD3 LYS 72 1HD LYS 72 17.132 -4.144 -6.793 531 HE2 LYS 72 2HE LYS 72 17.832 -6.138 -5.622 532 HE3 LYS 72 1HE LYS 72 19.448 -6.058 -6.352 533 HZ1 LYS 72 3HZ LYS 72 19.476 -5.063 -4.154 534 HZ2 LYS 72 1HZ LYS 72 18.226 -4.003 -4.585 535 HZ3 LYS 72 2HZ LYS 72 19.744 -3.871 -5.334 536 H ASP 73 H ASP 73 18.098 -7.812 -9.924 537 HA ASP 73 HA ASP 73 20.982 -8.060 -9.793 538 HB2 ASP 73 2HB ASP 73 19.221 -9.202 -8.372 539 HB3 ASP 73 1HB ASP 73 18.859 -10.225 -9.763 540 H ILE 74 H ILE 74 18.516 -9.541 -11.937 541 HA ILE 74 HA ILE 74 20.116 -11.131 -13.580 542 HB ILE 74 HB ILE 74 17.770 -9.335 -14.284 543 HG12 ILE 74 2HG1 ILE 74 17.542 -12.281 -13.892 544 HG13 ILE 74 1HG1 ILE 74 17.791 -11.304 -12.446 545 HG21 ILE 74 1HG2 ILE 74 18.914 -11.744 -15.733 546 HG22 ILE 74 2HG2 ILE 74 18.912 -10.082 -16.322 547 HG23 ILE 74 3HG2 ILE 74 17.390 -10.955 -16.136 548 HD11 ILE 74 3HD1 ILE 74 15.447 -11.434 -14.258 549 HD12 ILE 74 1HD1 ILE 74 15.889 -9.824 -13.693 550 HD13 ILE 74 2HD1 ILE 74 15.516 -11.096 -12.529 551 H ASP 75 H ASP 75 19.581 -7.612 -13.873 552 HA ASP 75 HA ASP 75 20.988 -7.144 -16.297 553 HB2 ASP 75 2HB ASP 75 20.480 -5.570 -13.769 554 HB3 ASP 75 1HB ASP 75 21.370 -4.861 -15.117 555 H ALA 76 H ALA 76 22.149 -7.415 -12.953 556 HA ALA 76 HA ALA 76 24.827 -6.578 -13.258 557 HB1 ALA 76 1HB ALA 76 23.401 -7.320 -11.214 558 HB2 ALA 76 2HB ALA 76 25.130 -7.667 -11.185 559 HB3 ALA 76 3HB ALA 76 23.983 -8.943 -11.588 560 H ALA 77 H ALA 77 23.280 -9.496 -14.426 561 HA ALA 77 HA ALA 77 25.889 -10.814 -14.953 562 HB1 ALA 77 1HB ALA 77 24.442 -12.713 -15.533 563 HB2 ALA 77 2HB ALA 77 23.018 -11.675 -15.445 564 HB3 ALA 77 3HB ALA 77 23.940 -12.034 -13.985 565 H ILE 78 H ILE 78 23.459 -8.913 -16.572 566 HA ILE 78 HA ILE 78 24.002 -9.869 -19.268 567 HB ILE 78 HB ILE 78 22.753 -7.304 -18.228 568 HG12 ILE 78 2HG1 ILE 78 21.429 -9.888 -19.111 569 HG13 ILE 78 1HG1 ILE 78 21.700 -9.450 -17.424 570 HG21 ILE 78 1HG2 ILE 78 21.530 -7.623 -20.524 571 HG22 ILE 78 2HG2 ILE 78 22.935 -8.608 -20.931 572 HG23 ILE 78 3HG2 ILE 78 23.143 -6.910 -20.502 573 HD11 ILE 78 3HD1 ILE 78 19.776 -8.309 -19.393 574 HD12 ILE 78 1HD1 ILE 78 20.506 -7.188 -18.243 575 HD13 ILE 78 2HD1 ILE 78 19.586 -8.575 -17.661 576 H ILE 79 H ILE 79 25.803 -7.934 -17.123 577 HA ILE 79 HA ILE 79 27.174 -6.525 -19.382 578 HB ILE 79 HB ILE 79 27.067 -5.972 -16.396 579 HG12 ILE 79 2HG1 ILE 79 25.773 -4.531 -18.738 580 HG13 ILE 79 1HG1 ILE 79 24.925 -5.599 -17.619 581 HG21 ILE 79 1HG2 ILE 79 28.598 -4.318 -16.697 582 HG22 ILE 79 2HG2 ILE 79 27.926 -3.852 -18.260 583 HG23 ILE 79 3HG2 ILE 79 29.045 -5.210 -18.152 584 HD11 ILE 79 3HD1 ILE 79 26.191 -3.891 -15.883 585 HD12 ILE 79 1HD1 ILE 79 24.530 -3.695 -16.441 586 HD13 ILE 79 2HD1 ILE 79 25.836 -2.819 -17.238 587 H GLN 80 H GLN 80 27.695 -8.447 -16.429 588 HA GLN 80 HA GLN 80 30.594 -8.687 -16.973 589 HB2 GLN 80 2HB GLN 80 28.649 -9.530 -14.827 590 HB3 GLN 80 1HB GLN 80 30.278 -10.205 -14.864 591 HG2 GLN 80 2HG GLN 80 31.276 -8.030 -14.660 592 HG3 GLN 80 1HG GLN 80 29.726 -7.230 -14.922 593 HE21 GLN 80 1HE2 GLN 80 30.462 -10.040 -12.802 594 HE22 GLN 80 2HE2 GLN 80 29.957 -9.283 -11.369 595 H ASN 81 H ASN 81 27.626 -10.567 -17.211 596 HA ASN 81 HA ASN 81 29.166 -12.888 -18.326 597 HB2 ASN 81 2HB ASN 81 26.759 -12.513 -16.624 598 HB3 ASN 81 1HB ASN 81 26.653 -13.807 -17.817 599 HD21 ASN 81 1HD2 ASN 81 29.098 -14.973 -17.889 600 HD22 ASN 81 2HD2 ASN 81 29.597 -15.496 -16.354 601 H PHE 82 H PHE 82 27.257 -10.268 -19.244 602 HA PHE 82 HA PHE 82 26.173 -9.671 -21.206 603 HB2 PHE 82 2HB PHE 82 27.220 -10.415 -23.094 604 HB3 PHE 82 1HB PHE 82 28.327 -11.124 -21.935 605 HD1 PHE 82 2HD PHE 82 25.110 -11.966 -23.714 606 HD2 PHE 82 1HD PHE 82 28.869 -13.381 -22.183 607 HE1 PHE 82 2HE PHE 82 24.662 -14.205 -24.678 608 HE2 PHE 82 1HE PHE 82 28.422 -15.614 -23.159 609 HZ PHE 82 HZ PHE 82 26.318 -16.028 -24.402 610 H ARG 83 H ARG 83 25.496 -12.730 -19.724 611 HA ARG 83 HA ARG 83 23.601 -14.117 -19.754 612 HB2 ARG 83 2HB ARG 83 22.692 -11.250 -19.874 613 HB3 ARG 83 1HB ARG 83 21.536 -12.568 -19.673 614 HG2 ARG 83 2HG ARG 83 23.967 -12.289 -17.907 615 HG3 ARG 83 1HG ARG 83 22.437 -11.503 -17.520 616 HD2 ARG 83 2HD ARG 83 22.789 -14.489 -17.980 617 HD3 ARG 83 1HD ARG 83 22.602 -13.709 -16.396 618 HE ARG 83 HE ARG 83 20.456 -12.732 -17.837 619 HH11 ARG 83 1HH2 ARG 83 21.678 -15.921 -17.146 620 HH12 ARG 83 2HH2 ARG 83 20.113 -16.655 -17.217 621 HH21 ARG 83 1HH1 ARG 83 18.440 -13.708 -17.923 622 HH22 ARG 83 2HH1 ARG 83 18.293 -15.413 -17.653 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 17.265 -8.361 -29.442 2 H2 GLY 1 2HT GLY 1 16.617 -8.899 -27.966 3 H3 GLY 1 3HT GLY 1 17.880 -7.763 -27.980 4 HA2 GLY 1 2HA GLY 1 16.278 -6.289 -29.299 5 HA3 GLY 1 1HA GLY 1 15.040 -7.381 -28.675 6 H SER 2 H SER 2 14.453 -5.148 -27.668 7 HA SER 2 HA SER 2 15.689 -5.045 -24.943 8 HB2 SER 2 2HB SER 2 16.414 -3.284 -26.759 9 HB3 SER 2 1HB SER 2 14.841 -2.566 -26.424 10 HG SER 2 HG SER 2 17.125 -2.621 -24.912 11 H HIS 3 H HIS 3 14.099 -5.215 -23.417 12 HA HIS 3 HA HIS 3 11.317 -4.365 -24.162 13 HB2 HIS 3 2HB HIS 3 12.474 -6.759 -22.768 14 HB3 HIS 3 1HB HIS 3 10.846 -6.230 -22.337 15 HD1 HIS 3 1HD HIS 3 11.499 -8.905 -23.928 16 HD2 HIS 3 2HD HIS 3 10.242 -5.316 -25.637 17 HE1 HIS 3 1HE HIS 3 10.457 -9.500 -26.159 18 H MET 4 H MET 4 12.165 -2.240 -23.193 19 HA MET 4 HA MET 4 12.259 -0.702 -21.400 20 HB2 MET 4 2HB MET 4 10.468 -2.868 -20.251 21 HB3 MET 4 1HB MET 4 10.589 -1.223 -19.629 22 HG2 MET 4 2HG MET 4 9.798 -1.894 -22.477 23 HG3 MET 4 1HG MET 4 8.641 -1.575 -21.184 24 HE1 MET 4 3HE MET 4 8.637 2.031 -20.511 25 HE2 MET 4 1HE MET 4 9.249 0.707 -19.510 26 HE3 MET 4 2HE MET 4 7.817 0.472 -20.509 27 H ALA 5 H ALA 5 14.604 -1.394 -21.145 28 HA ALA 5 HA ALA 5 15.153 -2.069 -18.360 29 HB1 ALA 5 1HB ALA 5 15.705 -4.029 -20.608 30 HB2 ALA 5 2HB ALA 5 14.695 -4.294 -19.187 31 HB3 ALA 5 3HB ALA 5 16.444 -4.156 -19.012 32 H THR 6 H THR 6 16.572 -0.327 -18.198 33 HA THR 6 HA THR 6 18.637 0.087 -20.292 34 HB THR 6 HB THR 6 19.053 2.122 -18.747 35 HG1 THR 6 1HG THR 6 17.435 2.511 -17.269 36 HG21 THR 6 3HG2 THR 6 16.330 1.718 -20.014 37 HG22 THR 6 1HG2 THR 6 17.785 2.258 -20.849 38 HG23 THR 6 2HG2 THR 6 17.048 3.277 -19.613 39 HA PRO 7 HA PRO 7 21.745 -1.933 -17.892 40 HB2 PRO 7 2HB PRO 7 23.970 -0.576 -18.768 41 HB3 PRO 7 1HB PRO 7 23.152 -1.832 -19.715 42 HG2 PRO 7 2HG PRO 7 23.007 1.123 -19.964 43 HG3 PRO 7 1HG PRO 7 22.975 -0.122 -21.222 44 HD2 PRO 7 2HD PRO 7 20.755 1.198 -20.335 45 HD3 PRO 7 1HD PRO 7 20.721 -0.436 -21.035 46 H TRP 8 H TRP 8 23.402 -1.434 -16.201 47 HA TRP 8 HA TRP 8 23.669 -0.448 -14.049 48 HB2 TRP 8 2HB TRP 8 24.725 1.959 -14.579 49 HB3 TRP 8 1HB TRP 8 25.584 0.464 -14.913 50 HD1 TRP 8 HD TRP 8 23.350 3.044 -16.721 51 HE1 TRP 8 1HE TRP 8 24.027 3.087 -19.209 52 HE3 TRP 8 3HE TRP 8 26.816 -0.703 -16.754 53 HZ2 TRP 8 2HZ TRP 8 25.809 1.713 -20.975 54 HZ3 TRP 8 3HZ TRP 8 27.992 -1.310 -18.848 55 HH2 TRP 8 HH TRP 8 27.494 -0.108 -20.958 56 H SER 9 H SER 9 20.916 -0.158 -14.769 57 HA SER 9 HA SER 9 20.338 2.412 -13.361 58 HB2 SER 9 2HB SER 9 19.516 1.484 -16.075 59 HB3 SER 9 1HB SER 9 18.307 2.345 -15.127 60 HG SER 9 HG SER 9 19.607 3.760 -16.377 61 H GLY 10 H GLY 10 17.981 0.226 -14.861 62 HA2 GLY 10 2HA GLY 10 16.401 -1.222 -13.914 63 HA3 GLY 10 1HA GLY 10 17.463 -1.355 -12.511 64 H TYR 11 H TYR 11 17.458 0.597 -11.048 65 HA TYR 11 HA TYR 11 14.671 1.361 -10.476 66 HB2 TYR 11 2HB TYR 11 17.309 1.292 -9.131 67 HB3 TYR 11 1HB TYR 11 16.226 2.576 -8.595 68 HD1 TYR 11 2HD TYR 11 16.695 -1.073 -8.868 69 HD2 TYR 11 1HD TYR 11 14.121 2.074 -7.480 70 HE1 TYR 11 2HE TYR 11 15.402 -2.717 -7.536 71 HE2 TYR 11 1HE TYR 11 12.828 0.429 -6.148 72 HH TYR 11 HH TYR 11 13.363 -1.906 -5.093 73 H LEU 12 H LEU 12 17.364 2.747 -12.125 74 HA LEU 12 HA LEU 12 17.051 5.522 -11.599 75 HB2 LEU 12 2HB LEU 12 18.143 3.763 -13.733 76 HB3 LEU 12 1HB LEU 12 17.839 5.438 -14.193 77 HG LEU 12 HG LEU 12 19.142 6.167 -12.176 78 HD11 LEU 12 1HD1 LEU 12 20.734 4.126 -11.464 79 HD12 LEU 12 2HD1 LEU 12 19.286 3.204 -11.866 80 HD13 LEU 12 3HD1 LEU 12 19.217 4.462 -10.631 81 HD21 LEU 12 3HD2 LEU 12 21.153 6.056 -13.321 82 HD22 LEU 12 1HD2 LEU 12 20.052 5.590 -14.617 83 HD23 LEU 12 2HD2 LEU 12 20.945 4.354 -13.731 84 H ASP 13 H ASP 13 15.089 3.318 -13.493 85 HA ASP 13 HA ASP 13 12.959 5.276 -13.785 86 HB2 ASP 13 2HB ASP 13 14.684 5.994 -15.472 87 HB3 ASP 13 1HB ASP 13 14.482 4.433 -16.270 88 H ASP 14 H ASP 14 14.392 2.251 -14.997 89 HA ASP 14 HA ASP 14 12.114 0.989 -16.073 90 HB2 ASP 14 2HB ASP 14 14.729 0.249 -14.939 91 HB3 ASP 14 1HB ASP 14 13.530 -1.043 -14.903 92 H VAL 15 H VAL 15 13.362 -0.193 -13.030 93 HA VAL 15 HA VAL 15 11.012 -1.333 -12.051 94 HB VAL 15 HB VAL 15 13.285 0.020 -10.580 95 HG11 VAL 15 1HG1 VAL 15 12.720 -1.705 -8.834 96 HG12 VAL 15 2HG1 VAL 15 11.248 -2.047 -9.744 97 HG13 VAL 15 3HG1 VAL 15 11.501 -0.447 -9.046 98 HG21 VAL 15 3HG2 VAL 15 13.918 -2.571 -10.555 99 HG22 VAL 15 1HG2 VAL 15 14.368 -1.528 -11.903 100 HG23 VAL 15 2HG2 VAL 15 12.950 -2.568 -12.029 101 H SER 16 H SER 16 12.162 1.994 -11.632 102 HA SER 16 HA SER 16 10.381 2.935 -9.687 103 HB2 SER 16 2HB SER 16 12.116 4.322 -10.427 104 HB3 SER 16 1HB SER 16 11.711 4.081 -12.123 105 HG SER 16 HG SER 16 10.978 6.101 -11.515 106 H ALA 17 H ALA 17 9.744 2.376 -13.146 107 HA ALA 17 HA ALA 17 7.144 3.691 -13.157 108 HB1 ALA 17 1HB ALA 17 7.864 1.524 -15.080 109 HB2 ALA 17 2HB ALA 17 8.913 2.940 -15.028 110 HB3 ALA 17 3HB ALA 17 7.198 3.126 -15.396 111 H LYS 18 H LYS 18 8.245 0.346 -12.721 112 HA LYS 18 HA LYS 18 5.463 -0.667 -12.507 113 HB2 LYS 18 2HB LYS 18 8.186 -1.978 -12.178 114 HB3 LYS 18 1HB LYS 18 6.648 -2.836 -12.269 115 HG2 LYS 18 2HG LYS 18 7.715 -1.014 -14.444 116 HG3 LYS 18 1HG LYS 18 7.866 -2.771 -14.457 117 HD2 LYS 18 2HD LYS 18 5.369 -2.929 -14.289 118 HD3 LYS 18 1HD LYS 18 5.289 -1.176 -14.458 119 HE2 LYS 18 2HE LYS 18 6.117 -1.234 -16.681 120 HE3 LYS 18 1HE LYS 18 6.732 -2.889 -16.494 121 HZ1 LYS 18 3HZ LYS 18 3.876 -2.066 -16.396 122 HZ2 LYS 18 1HZ LYS 18 4.449 -3.642 -16.143 123 HZ3 LYS 18 2HZ LYS 18 4.624 -2.912 -17.666 124 H PHE 19 H PHE 19 8.174 0.216 -10.503 125 HA PHE 19 HA PHE 19 6.985 -0.892 -8.039 126 HB2 PHE 19 2HB PHE 19 9.517 -0.616 -8.989 127 HB3 PHE 19 1HB PHE 19 9.395 0.851 -8.020 128 HD1 PHE 19 2HD PHE 19 8.033 0.340 -5.682 129 HD2 PHE 19 1HD PHE 19 10.456 -2.428 -7.895 130 HE1 PHE 19 2HE PHE 19 8.384 -0.996 -3.620 131 HE2 PHE 19 1HE PHE 19 10.808 -3.765 -5.834 132 HZ PHE 19 HZ PHE 19 9.773 -3.049 -3.697 133 H ASP 20 H ASP 20 8.299 2.341 -8.966 134 HA ASP 20 HA ASP 20 6.887 3.710 -6.851 135 HB2 ASP 20 2HB ASP 20 8.861 4.236 -8.812 136 HB3 ASP 20 1HB ASP 20 7.566 5.393 -9.113 137 H THR 21 H THR 21 6.427 4.369 -10.337 138 HA THR 21 HA THR 21 3.810 5.437 -10.087 139 HB THR 21 HB THR 21 4.827 3.889 -12.476 140 HG1 THR 21 1HG THR 21 5.596 6.482 -11.623 141 HG21 THR 21 3HG2 THR 21 2.805 4.804 -13.096 142 HG22 THR 21 1HG2 THR 21 3.853 6.177 -13.451 143 HG23 THR 21 2HG2 THR 21 2.935 6.134 -11.945 144 H GLY 22 H GLY 22 4.874 2.099 -10.712 145 HA2 GLY 22 2HA GLY 22 2.321 0.945 -11.192 146 HA3 GLY 22 1HA GLY 22 3.712 0.067 -10.564 147 H VAL 23 H VAL 23 4.162 0.561 -8.140 148 HA VAL 23 HA VAL 23 1.920 -0.302 -6.611 149 HB VAL 23 HB VAL 23 4.439 1.141 -5.755 150 HG11 VAL 23 1HG1 VAL 23 2.800 -0.853 -4.193 151 HG12 VAL 23 2HG1 VAL 23 2.542 0.887 -4.067 152 HG13 VAL 23 3HG1 VAL 23 4.092 0.189 -3.598 153 HG21 VAL 23 3HG2 VAL 23 3.812 -1.747 -6.380 154 HG22 VAL 23 1HG2 VAL 23 5.171 -1.297 -5.352 155 HG23 VAL 23 2HG2 VAL 23 5.116 -0.755 -7.029 156 H ASP 24 H ASP 24 3.269 2.979 -7.081 157 HA ASP 24 HA ASP 24 1.570 4.356 -5.236 158 HB2 ASP 24 2HB ASP 24 3.608 5.230 -6.437 159 HB3 ASP 24 1HB ASP 24 2.646 5.310 -7.913 160 H ASN 25 H ASN 25 1.143 3.423 -8.637 161 HA ASN 25 HA ASN 25 -1.367 4.727 -9.101 162 HB2 ASN 25 2HB ASN 25 0.101 3.805 -10.856 163 HB3 ASN 25 1HB ASN 25 -0.165 2.175 -10.237 164 HD21 ASN 25 1HD2 ASN 25 -1.154 4.162 -12.685 165 HD22 ASN 25 2HD2 ASN 25 -2.727 3.571 -12.925 166 H LEU 26 H LEU 26 -0.534 1.467 -7.882 167 HA LEU 26 HA LEU 26 -3.267 0.555 -7.626 168 HB2 LEU 26 2HB LEU 26 -0.641 -0.430 -7.275 169 HB3 LEU 26 1HB LEU 26 -1.425 -0.610 -5.709 170 HG LEU 26 HG LEU 26 -2.531 -1.598 -8.345 171 HD11 LEU 26 1HD1 LEU 26 -0.850 -2.811 -6.244 172 HD12 LEU 26 2HD1 LEU 26 -1.005 -3.239 -7.946 173 HD13 LEU 26 3HD1 LEU 26 -2.209 -3.795 -6.783 174 HD21 LEU 26 3HD2 LEU 26 -3.865 -2.848 -6.243 175 HD22 LEU 26 1HD2 LEU 26 -4.507 -1.551 -7.250 176 HD23 LEU 26 2HD2 LEU 26 -3.726 -1.170 -5.716 177 H GLN 27 H GLN 27 -1.091 2.391 -5.514 178 HA GLN 27 HA GLN 27 -2.690 2.132 -3.110 179 HB2 GLN 27 2HB GLN 27 -0.180 2.936 -3.705 180 HB3 GLN 27 1HB GLN 27 -0.964 4.513 -3.602 181 HG2 GLN 27 2HG GLN 27 -1.766 4.026 -1.360 182 HG3 GLN 27 1HG GLN 27 -1.146 2.378 -1.458 183 HE21 GLN 27 1HE2 GLN 27 1.404 2.727 -2.508 184 HE22 GLN 27 2HE2 GLN 27 2.340 3.694 -1.472 185 H THR 28 H THR 28 -2.558 4.440 -5.800 186 HA THR 28 HA THR 28 -4.579 6.191 -4.551 187 HB THR 28 HB THR 28 -2.634 6.989 -5.945 188 HG1 THR 28 1HG THR 28 -4.519 8.244 -5.704 189 HG21 THR 28 3HG2 THR 28 -2.884 6.792 -8.423 190 HG22 THR 28 1HG2 THR 28 -4.221 5.671 -8.167 191 HG23 THR 28 2HG2 THR 28 -2.596 5.241 -7.636 192 H GLN 29 H GLN 29 -4.431 3.532 -6.837 193 HA GLN 29 HA GLN 29 -6.836 3.910 -8.278 194 HB2 GLN 29 2HB GLN 29 -4.859 1.890 -7.815 195 HB3 GLN 29 1HB GLN 29 -6.441 1.140 -7.654 196 HG2 GLN 29 2HG GLN 29 -5.450 2.758 -10.019 197 HG3 GLN 29 1HG GLN 29 -5.738 1.020 -9.985 198 HE21 GLN 29 1HE2 GLN 29 -8.272 1.462 -8.301 199 HE22 GLN 29 2HE2 GLN 29 -9.423 2.017 -9.413 200 H VAL 30 H VAL 30 -6.347 2.072 -5.215 201 HA VAL 30 HA VAL 30 -9.149 1.499 -4.876 202 HB VAL 30 HB VAL 30 -8.379 1.302 -2.381 203 HG11 VAL 30 1HG1 VAL 30 -8.505 -0.427 -4.475 204 HG12 VAL 30 2HG1 VAL 30 -8.086 -0.897 -2.829 205 HG13 VAL 30 3HG1 VAL 30 -6.812 -0.592 -4.009 206 HG21 VAL 30 3HG2 VAL 30 -5.646 1.072 -3.567 207 HG22 VAL 30 1HG2 VAL 30 -6.120 1.372 -1.896 208 HG23 VAL 30 2HG2 VAL 30 -6.228 2.666 -3.089 209 H THR 31 H THR 31 -7.147 4.295 -4.118 210 HA THR 31 HA THR 31 -8.916 5.633 -2.303 211 HB THR 31 HB THR 31 -7.294 6.977 -4.479 212 HG1 THR 31 1HG THR 31 -5.545 6.730 -2.899 213 HG21 THR 31 3HG2 THR 31 -8.768 8.111 -2.601 214 HG22 THR 31 1HG2 THR 31 -7.182 8.767 -3.008 215 HG23 THR 31 2HG2 THR 31 -7.374 7.743 -1.585 216 H GLU 32 H GLU 32 -8.664 5.612 -5.862 217 HA GLU 32 HA GLU 32 -10.960 7.265 -6.416 218 HB2 GLU 32 2HB GLU 32 -9.775 4.926 -7.969 219 HB3 GLU 32 1HB GLU 32 -10.805 6.189 -8.639 220 HG2 GLU 32 2HG GLU 32 -8.082 6.644 -7.389 221 HG3 GLU 32 1HG GLU 32 -8.410 6.592 -9.120 222 H ALA 33 H ALA 33 -10.433 3.761 -6.151 223 HA ALA 33 HA ALA 33 -13.075 2.812 -6.506 224 HB1 ALA 33 1HB ALA 33 -11.033 1.763 -4.515 225 HB2 ALA 33 2HB ALA 33 -10.835 1.560 -6.251 226 HB3 ALA 33 3HB ALA 33 -12.212 0.829 -5.429 227 H LEU 34 H LEU 34 -11.576 4.506 -3.831 228 HA LEU 34 HA LEU 34 -13.595 3.856 -1.826 229 HB2 LEU 34 2HB LEU 34 -11.053 4.843 -1.827 230 HB3 LEU 34 1HB LEU 34 -11.966 6.340 -1.641 231 HG LEU 34 HG LEU 34 -12.835 4.053 0.048 232 HD11 LEU 34 1HD1 LEU 34 -10.689 3.647 0.716 233 HD12 LEU 34 2HD1 LEU 34 -10.917 5.119 1.661 234 HD13 LEU 34 3HD1 LEU 34 -10.099 5.190 0.101 235 HD21 LEU 34 3HD2 LEU 34 -13.563 6.625 -0.091 236 HD22 LEU 34 1HD2 LEU 34 -12.223 6.804 1.041 237 HD23 LEU 34 2HD2 LEU 34 -13.575 5.744 1.436 238 H ASP 35 H ASP 35 -12.780 6.883 -3.573 239 HA ASP 35 HA ASP 35 -15.144 8.328 -2.867 240 HB2 ASP 35 2HB ASP 35 -13.127 8.412 -5.113 241 HB3 ASP 35 1HB ASP 35 -14.489 9.533 -5.095 242 H LYS 36 H LYS 36 -14.487 5.906 -5.318 243 HA LYS 36 HA LYS 36 -16.999 6.315 -6.777 244 HB2 LYS 36 2HB LYS 36 -14.557 4.606 -6.888 245 HB3 LYS 36 1HB LYS 36 -16.002 3.968 -7.647 246 HG2 LYS 36 2HG LYS 36 -15.821 5.378 -9.391 247 HG3 LYS 36 1HG LYS 36 -15.641 6.768 -8.324 248 HD2 LYS 36 2HD LYS 36 -13.653 6.409 -9.797 249 HD3 LYS 36 1HD LYS 36 -13.256 6.336 -8.083 250 HE2 LYS 36 2HE LYS 36 -12.437 4.240 -8.353 251 HE3 LYS 36 1HE LYS 36 -14.005 3.694 -8.980 252 HZ1 LYS 36 3HZ LYS 36 -13.415 4.678 -11.133 253 HZ2 LYS 36 1HZ LYS 36 -12.326 3.458 -10.685 254 HZ3 LYS 36 2HZ LYS 36 -11.882 5.090 -10.526 255 H LEU 37 H LEU 37 -15.666 4.142 -4.303 256 HA LEU 37 HA LEU 37 -17.775 2.213 -4.237 257 HB2 LEU 37 2HB LEU 37 -15.837 1.657 -3.033 258 HB3 LEU 37 1HB LEU 37 -15.686 3.270 -2.344 259 HG LEU 37 HG LEU 37 -17.588 2.852 -0.856 260 HD11 LEU 37 1HD1 LEU 37 -18.722 0.701 -0.801 261 HD12 LEU 37 2HD1 LEU 37 -17.665 0.072 -2.065 262 HD13 LEU 37 3HD1 LEU 37 -18.820 1.352 -2.438 263 HD21 LEU 37 3HD2 LEU 37 -15.440 2.185 0.016 264 HD22 LEU 37 1HD2 LEU 37 -15.489 0.667 -0.880 265 HD23 LEU 37 2HD2 LEU 37 -16.603 0.936 0.461 266 H ALA 38 H ALA 38 -17.247 4.962 -2.013 267 HA ALA 38 HA ALA 38 -19.837 4.917 -0.823 268 HB1 ALA 38 1HB ALA 38 -17.617 6.121 -0.215 269 HB2 ALA 38 2HB ALA 38 -19.127 6.963 0.130 270 HB3 ALA 38 3HB ALA 38 -18.182 7.395 -1.295 271 H ALA 39 H ALA 39 -18.746 6.061 -3.928 272 HA ALA 39 HA ALA 39 -20.675 8.020 -4.622 273 HB1 ALA 39 1HB ALA 39 -19.875 5.878 -6.564 274 HB2 ALA 39 2HB ALA 39 -18.591 6.834 -5.827 275 HB3 ALA 39 3HB ALA 39 -19.849 7.630 -6.769 276 H LYS 40 H LYS 40 -20.767 4.543 -5.375 277 HA LYS 40 HA LYS 40 -23.686 4.623 -5.817 278 HB2 LYS 40 2HB LYS 40 -21.346 3.001 -6.507 279 HB3 LYS 40 1HB LYS 40 -22.696 1.998 -5.981 280 HG2 LYS 40 2HG LYS 40 -22.824 2.349 -8.396 281 HG3 LYS 40 1HG LYS 40 -24.167 3.177 -7.607 282 HD2 LYS 40 2HD LYS 40 -23.041 5.309 -7.772 283 HD3 LYS 40 1HD LYS 40 -21.560 4.535 -8.342 284 HE2 LYS 40 2HE LYS 40 -22.423 4.142 -10.469 285 HE3 LYS 40 1HE LYS 40 -24.100 4.101 -9.891 286 HZ1 LYS 40 3HZ LYS 40 -23.703 6.190 -10.992 287 HZ2 LYS 40 1HZ LYS 40 -22.336 6.488 -10.033 288 HZ3 LYS 40 2HZ LYS 40 -23.881 6.473 -9.326 289 HA PRO 41 HA PRO 41 -24.674 3.375 -1.674 290 HB2 PRO 41 2HB PRO 41 -26.735 1.586 -2.831 291 HB3 PRO 41 1HB PRO 41 -26.931 2.949 -1.714 292 HG2 PRO 41 2HG PRO 41 -27.666 3.078 -4.297 293 HG3 PRO 41 1HG PRO 41 -27.081 4.483 -3.394 294 HD2 PRO 41 2HD PRO 41 -25.702 2.866 -5.466 295 HD3 PRO 41 1HD PRO 41 -25.535 4.591 -5.070 296 H SER 42 H SER 42 -25.569 0.845 -0.840 297 HA SER 42 HA SER 42 -23.236 -0.751 -0.744 298 HB2 SER 42 2HB SER 42 -25.012 -1.124 0.807 299 HB3 SER 42 1HB SER 42 -26.197 -1.324 -0.482 300 HG SER 42 HG SER 42 -25.495 -3.321 0.457 301 H ASP 43 H ASP 43 -22.334 -0.968 -2.876 302 HA ASP 43 HA ASP 43 -23.974 -2.540 -4.823 303 HB2 ASP 43 2HB ASP 43 -21.898 -0.390 -4.994 304 HB3 ASP 43 1HB ASP 43 -22.052 -1.518 -6.342 305 HA PRO 44 HA PRO 44 -21.047 -5.842 -4.567 306 HB2 PRO 44 2HB PRO 44 -21.370 -6.897 -7.079 307 HB3 PRO 44 1HB PRO 44 -22.570 -7.095 -5.791 308 HG2 PRO 44 2HG PRO 44 -22.595 -5.326 -8.148 309 HG3 PRO 44 1HG PRO 44 -23.942 -6.099 -7.301 310 HD2 PRO 44 2HD PRO 44 -23.220 -3.439 -7.067 311 HD3 PRO 44 1HD PRO 44 -24.217 -4.340 -5.906 312 H ALA 45 H ALA 45 -21.078 -4.041 -7.587 313 HA ALA 45 HA ALA 45 -18.457 -4.826 -8.472 314 HB1 ALA 45 1HB ALA 45 -19.051 -3.490 -10.293 315 HB2 ALA 45 2HB ALA 45 -19.964 -2.366 -9.285 316 HB3 ALA 45 3HB ALA 45 -20.615 -3.968 -9.632 317 H LEU 46 H LEU 46 -19.624 -1.619 -7.309 318 HA LEU 46 HA LEU 46 -17.186 -0.246 -7.253 319 HB2 LEU 46 2HB LEU 46 -19.805 -0.153 -5.925 320 HB3 LEU 46 1HB LEU 46 -18.528 0.572 -4.957 321 HG LEU 46 HG LEU 46 -19.525 2.290 -6.348 322 HD11 LEU 46 1HD1 LEU 46 -16.991 2.210 -6.049 323 HD12 LEU 46 2HD1 LEU 46 -17.601 3.175 -7.393 324 HD13 LEU 46 3HD1 LEU 46 -16.920 1.583 -7.696 325 HD21 LEU 46 3HD2 LEU 46 -19.050 0.295 -8.546 326 HD22 LEU 46 1HD2 LEU 46 -19.181 2.017 -8.901 327 HD23 LEU 46 2HD2 LEU 46 -20.529 1.169 -8.145 328 H LEU 47 H LEU 47 -18.616 -1.926 -4.435 329 HA LEU 47 HA LEU 47 -16.392 -1.773 -2.686 330 HB2 LEU 47 2HB LEU 47 -18.930 -2.692 -2.597 331 HB3 LEU 47 1HB LEU 47 -18.077 -4.230 -2.724 332 HG LEU 47 HG LEU 47 -16.549 -3.085 -0.844 333 HD11 LEU 47 1HD1 LEU 47 -17.505 -1.057 -0.359 334 HD12 LEU 47 2HD1 LEU 47 -18.536 -2.048 0.672 335 HD13 LEU 47 3HD1 LEU 47 -19.098 -1.556 -0.926 336 HD21 LEU 47 3HD2 LEU 47 -19.251 -4.384 -0.356 337 HD22 LEU 47 1HD2 LEU 47 -17.939 -4.289 0.819 338 HD23 LEU 47 2HD2 LEU 47 -17.737 -5.239 -0.653 339 H ALA 48 H ALA 48 -17.335 -4.446 -4.872 340 HA ALA 48 HA ALA 48 -15.120 -6.173 -4.457 341 HB1 ALA 48 1HB ALA 48 -15.709 -6.890 -6.821 342 HB2 ALA 48 2HB ALA 48 -16.828 -5.528 -6.874 343 HB3 ALA 48 3HB ALA 48 -17.078 -6.831 -5.711 344 H ALA 49 H ALA 49 -15.472 -3.272 -6.394 345 HA ALA 49 HA ALA 49 -13.108 -3.553 -7.997 346 HB1 ALA 49 1HB ALA 49 -15.204 -2.033 -8.170 347 HB2 ALA 49 2HB ALA 49 -13.651 -1.347 -8.642 348 HB3 ALA 49 3HB ALA 49 -14.340 -0.965 -7.065 349 H TYR 50 H TYR 50 -13.675 -1.396 -5.141 350 HA TYR 50 HA TYR 50 -10.976 -0.633 -4.745 351 HB2 TYR 50 2HB TYR 50 -13.011 0.291 -3.636 352 HB3 TYR 50 1HB TYR 50 -13.121 -1.178 -2.672 353 HD1 TYR 50 1HD TYR 50 -10.897 -1.818 -1.348 354 HD2 TYR 50 2HD TYR 50 -11.868 2.105 -2.781 355 HE1 TYR 50 1HE TYR 50 -9.327 -0.829 0.284 356 HE2 TYR 50 2HE TYR 50 -10.301 3.098 -1.158 357 HH TYR 50 HH TYR 50 -8.343 2.446 0.146 358 H GLN 51 H GLN 51 -12.712 -3.540 -3.623 359 HA GLN 51 HA GLN 51 -10.558 -4.549 -1.977 360 HB2 GLN 51 2HB GLN 51 -12.919 -5.836 -3.383 361 HB3 GLN 51 1HB GLN 51 -11.905 -6.669 -2.206 362 HG2 GLN 51 2HG GLN 51 -12.461 -4.907 -0.531 363 HG3 GLN 51 1HG GLN 51 -13.553 -4.173 -1.705 364 HE21 GLN 51 1HE2 GLN 51 -15.667 -4.993 -1.773 365 HE22 GLN 51 2HE2 GLN 51 -16.165 -6.428 -1.014 366 H SER 52 H SER 52 -11.659 -5.275 -5.304 367 HA SER 52 HA SER 52 -9.804 -7.206 -6.103 368 HB2 SER 52 2HB SER 52 -11.737 -6.251 -7.397 369 HB3 SER 52 1HB SER 52 -10.787 -4.796 -7.678 370 HG SER 52 HG SER 52 -10.659 -6.355 -9.392 371 H LYS 53 H LYS 53 -9.425 -3.665 -6.087 372 HA LYS 53 HA LYS 53 -6.653 -3.758 -7.016 373 HB2 LYS 53 2HB LYS 53 -8.759 -1.812 -6.368 374 HB3 LYS 53 1HB LYS 53 -7.163 -1.277 -5.841 375 HG2 LYS 53 2HG LYS 53 -6.642 -0.739 -7.959 376 HG3 LYS 53 1HG LYS 53 -6.852 -2.421 -8.435 377 HD2 LYS 53 2HD LYS 53 -9.320 -2.000 -8.633 378 HD3 LYS 53 1HD LYS 53 -9.011 -0.293 -8.326 379 HE2 LYS 53 2HE LYS 53 -7.467 -0.261 -10.309 380 HE3 LYS 53 1HE LYS 53 -7.958 -1.931 -10.658 381 HZ1 LYS 53 3HZ LYS 53 -9.900 0.276 -10.263 382 HZ2 LYS 53 1HZ LYS 53 -10.208 -1.279 -10.867 383 HZ3 LYS 53 2HZ LYS 53 -9.316 -0.169 -11.795 384 H LEU 54 H LEU 54 -8.366 -3.675 -3.953 385 HA LEU 54 HA LEU 54 -6.167 -2.976 -2.238 386 HB2 LEU 54 2HB LEU 54 -8.608 -2.940 -1.691 387 HB3 LEU 54 1HB LEU 54 -8.615 -4.701 -1.727 388 HG LEU 54 HG LEU 54 -6.692 -4.521 0.008 389 HD11 LEU 54 1HD1 LEU 54 -6.064 -2.330 0.230 390 HD12 LEU 54 2HD1 LEU 54 -7.402 -2.288 1.377 391 HD13 LEU 54 3HD1 LEU 54 -7.640 -1.721 -0.275 392 HD21 LEU 54 3HD2 LEU 54 -9.627 -4.061 0.374 393 HD22 LEU 54 1HD2 LEU 54 -8.587 -3.919 1.791 394 HD23 LEU 54 2HD2 LEU 54 -8.636 -5.429 0.882 395 H SER 55 H SER 55 -7.702 -6.200 -2.569 396 HA SER 55 HA SER 55 -5.687 -7.764 -1.400 397 HB2 SER 55 2HB SER 55 -8.039 -8.346 -2.298 398 HB3 SER 55 1HB SER 55 -7.253 -8.577 -3.857 399 HG SER 55 HG SER 55 -6.754 -9.925 -1.411 400 H GLU 56 H GLU 56 -5.909 -6.564 -4.733 401 HA GLU 56 HA GLU 56 -3.595 -7.983 -5.749 402 HB2 GLU 56 2HB GLU 56 -5.511 -6.904 -7.038 403 HB3 GLU 56 1HB GLU 56 -4.785 -5.342 -6.660 404 HG2 GLU 56 2HG GLU 56 -3.827 -5.796 -8.734 405 HG3 GLU 56 1HG GLU 56 -2.605 -6.442 -7.637 406 H TYR 57 H TYR 57 -4.154 -4.856 -4.211 407 HA TYR 57 HA TYR 57 -1.519 -3.773 -4.668 408 HB2 TYR 57 2HB TYR 57 -3.536 -2.442 -4.207 409 HB3 TYR 57 1HB TYR 57 -3.656 -3.163 -2.605 410 HD1 TYR 57 2HD TYR 57 -0.600 -2.015 -4.461 411 HD2 TYR 57 1HD TYR 57 -3.256 -1.408 -1.147 412 HE1 TYR 57 2HE TYR 57 0.965 -0.345 -3.507 413 HE2 TYR 57 1HE TYR 57 -1.693 0.262 -0.186 414 HH TYR 57 HH TYR 57 1.503 0.660 -1.354 415 H ASN 58 H ASN 58 -3.033 -5.217 -1.742 416 HA ASN 58 HA ASN 58 -0.839 -5.080 0.007 417 HB2 ASN 58 2HB ASN 58 -3.054 -7.107 -0.408 418 HB3 ASN 58 1HB ASN 58 -1.928 -7.233 0.943 419 HD21 ASN 58 1HD2 ASN 58 -4.901 -5.911 0.066 420 HD22 ASN 58 2HD2 ASN 58 -5.004 -4.700 1.251 421 H LEU 59 H LEU 59 -1.626 -7.671 -2.340 422 HA LEU 59 HA LEU 59 0.752 -9.247 -1.838 423 HB2 LEU 59 2HB LEU 59 -1.520 -9.818 -2.995 424 HB3 LEU 59 1HB LEU 59 -0.804 -9.093 -4.432 425 HG LEU 59 HG LEU 59 -0.483 -11.551 -4.386 426 HD11 LEU 59 1HD1 LEU 59 1.305 -9.721 -5.160 427 HD12 LEU 59 2HD1 LEU 59 1.658 -11.447 -5.226 428 HD13 LEU 59 3HD1 LEU 59 2.254 -10.477 -3.880 429 HD21 LEU 59 3HD2 LEU 59 -0.240 -11.373 -1.733 430 HD22 LEU 59 1HD2 LEU 59 1.473 -11.283 -2.140 431 HD23 LEU 59 2HD2 LEU 59 0.521 -12.682 -2.637 432 H TYR 60 H TYR 60 -0.112 -6.591 -3.983 433 HA TYR 60 HA TYR 60 1.983 -6.466 -5.834 434 HB2 TYR 60 2HB TYR 60 -0.092 -4.906 -4.971 435 HB3 TYR 60 1HB TYR 60 1.278 -3.946 -4.443 436 HD1 TYR 60 2HD TYR 60 0.343 -5.978 -7.468 437 HD2 TYR 60 1HD TYR 60 1.958 -2.323 -5.905 438 HE1 TYR 60 2HE TYR 60 0.597 -5.100 -9.770 439 HE2 TYR 60 1HE TYR 60 2.207 -1.445 -8.200 440 HH TYR 60 HH TYR 60 0.758 -2.268 -10.656 441 H ARG 61 H ARG 61 1.941 -4.881 -2.622 442 HA ARG 61 HA ARG 61 4.480 -3.796 -2.463 443 HB2 ARG 61 2HB ARG 61 2.512 -4.990 -0.600 444 HB3 ARG 61 1HB ARG 61 4.141 -4.801 0.048 445 HG2 ARG 61 2HG ARG 61 3.423 -2.684 0.516 446 HG3 ARG 61 1HG ARG 61 3.832 -2.395 -1.174 447 HD2 ARG 61 2HD ARG 61 1.644 -1.639 -1.221 448 HD3 ARG 61 1HD ARG 61 1.318 -3.364 -1.484 449 HE ARG 61 HE ARG 61 0.453 -3.473 0.707 450 HH11 ARG 61 1HH2 ARG 61 2.467 -0.656 0.330 451 HH12 ARG 61 2HH2 ARG 61 2.098 -0.046 1.906 452 HH21 ARG 61 1HH1 ARG 61 -0.007 -2.661 2.748 453 HH22 ARG 61 2HH1 ARG 61 0.709 -1.171 3.266 454 H ASN 62 H ASN 62 3.666 -7.228 -1.832 455 HA ASN 62 HA ASN 62 6.430 -7.946 -1.208 456 HB2 ASN 62 2HB ASN 62 3.888 -9.493 -1.803 457 HB3 ASN 62 1HB ASN 62 5.397 -10.258 -1.301 458 HD21 ASN 62 1HD2 ASN 62 2.624 -8.453 -0.177 459 HD22 ASN 62 2HD2 ASN 62 3.071 -8.402 1.459 460 H ALA 63 H ALA 63 4.213 -8.721 -3.924 461 HA ALA 63 HA ALA 63 5.972 -10.111 -5.603 462 HB1 ALA 63 1HB ALA 63 4.233 -9.891 -7.072 463 HB2 ALA 63 2HB ALA 63 4.188 -8.137 -6.902 464 HB3 ALA 63 3HB ALA 63 3.412 -9.159 -5.694 465 H GLN 64 H GLN 64 5.210 -6.641 -6.080 466 HA GLN 64 HA GLN 64 7.221 -5.989 -7.907 467 HB2 GLN 64 2HB GLN 64 5.600 -4.607 -5.848 468 HB3 GLN 64 1HB GLN 64 7.026 -3.726 -6.395 469 HG2 GLN 64 2HG GLN 64 4.916 -4.909 -8.226 470 HG3 GLN 64 1HG GLN 64 5.012 -3.209 -7.769 471 HE21 GLN 64 1HE2 GLN 64 7.773 -2.721 -7.934 472 HE22 GLN 64 2HE2 GLN 64 8.299 -2.954 -9.531 473 H SER 65 H SER 65 7.522 -6.373 -4.405 474 HA SER 65 HA SER 65 10.203 -5.244 -4.221 475 HB2 SER 65 2HB SER 65 8.246 -6.707 -2.508 476 HB3 SER 65 1HB SER 65 9.933 -6.740 -2.002 477 HG SER 65 HG SER 65 9.381 -4.866 -1.177 478 H ASN 66 H ASN 66 8.841 -8.456 -4.757 479 HA ASN 66 HA ASN 66 11.469 -9.784 -4.514 480 HB2 ASN 66 2HB ASN 66 8.595 -10.518 -4.866 481 HB3 ASN 66 1HB ASN 66 9.801 -11.684 -5.412 482 HD21 ASN 66 1HD2 ASN 66 7.959 -11.031 -2.769 483 HD22 ASN 66 2HD2 ASN 66 8.993 -11.579 -1.539 484 H THR 67 H THR 67 9.380 -8.499 -7.019 485 HA THR 67 HA THR 67 10.734 -9.945 -9.198 486 HB THR 67 HB THR 67 9.164 -8.573 -10.567 487 HG1 THR 67 1HG THR 67 8.920 -6.703 -9.551 488 HG21 THR 67 3HG2 THR 67 7.054 -9.310 -9.061 489 HG22 THR 67 1HG2 THR 67 8.321 -10.233 -8.252 490 HG23 THR 67 2HG2 THR 67 8.021 -10.467 -9.974 491 H ALA 68 H ALA 68 10.597 -6.602 -7.936 492 HA ALA 68 HA ALA 68 12.242 -5.357 -9.901 493 HB1 ALA 68 1HB ALA 68 12.174 -4.703 -6.946 494 HB2 ALA 68 2HB ALA 68 10.806 -4.377 -8.010 495 HB3 ALA 68 3HB ALA 68 12.354 -3.586 -8.299 496 H LYS 69 H LYS 69 13.105 -7.051 -6.886 497 HA LYS 69 HA LYS 69 15.869 -6.467 -6.766 498 HB2 LYS 69 2HB LYS 69 14.031 -8.649 -5.890 499 HB3 LYS 69 1HB LYS 69 15.761 -8.980 -5.805 500 HG2 LYS 69 2HG LYS 69 15.748 -6.514 -4.722 501 HG3 LYS 69 1HG LYS 69 14.127 -7.033 -4.259 502 HD2 LYS 69 2HD LYS 69 15.253 -7.943 -2.482 503 HD3 LYS 69 1HD LYS 69 15.503 -9.267 -3.620 504 HE2 LYS 69 2HE LYS 69 17.436 -6.944 -3.300 505 HE3 LYS 69 1HE LYS 69 17.634 -8.519 -2.504 506 HZ1 LYS 69 3HZ LYS 69 17.363 -9.539 -4.749 507 HZ2 LYS 69 1HZ LYS 69 18.785 -8.634 -4.566 508 HZ3 LYS 69 2HZ LYS 69 17.469 -7.982 -5.420 509 H ALA 70 H ALA 70 14.386 -9.402 -8.214 510 HA ALA 70 HA ALA 70 16.775 -10.366 -9.454 511 HB1 ALA 70 1HB ALA 70 13.867 -10.701 -10.264 512 HB2 ALA 70 2HB ALA 70 14.679 -11.643 -9.014 513 HB3 ALA 70 3HB ALA 70 15.193 -11.781 -10.696 514 H PHE 71 H PHE 71 14.351 -8.023 -10.480 515 HA PHE 71 HA PHE 71 14.956 -7.889 -13.264 516 HB2 PHE 71 2HB PHE 71 13.250 -6.684 -11.446 517 HB3 PHE 71 1HB PHE 71 14.298 -5.350 -11.923 518 HD1 PHE 71 1HD PHE 71 12.139 -8.075 -13.282 519 HD2 PHE 71 2HD PHE 71 14.052 -4.302 -14.027 520 HE1 PHE 71 1HE PHE 71 10.912 -7.875 -15.429 521 HE2 PHE 71 2HE PHE 71 12.827 -4.103 -16.173 522 HZ PHE 71 HZ PHE 71 11.256 -5.890 -16.875 523 H LYS 72 H LYS 72 16.063 -5.632 -10.697 524 HA LYS 72 HA LYS 72 18.025 -4.318 -12.308 525 HB2 LYS 72 2HB LYS 72 18.840 -3.515 -10.105 526 HB3 LYS 72 1HB LYS 72 17.082 -3.451 -10.201 527 HG2 LYS 72 2HG LYS 72 16.852 -5.454 -8.893 528 HG3 LYS 72 1HG LYS 72 18.580 -5.789 -8.996 529 HD2 LYS 72 2HD LYS 72 18.899 -3.502 -7.839 530 HD3 LYS 72 1HD LYS 72 17.185 -3.616 -7.438 531 HE2 LYS 72 2HE LYS 72 18.126 -4.652 -5.566 532 HE3 LYS 72 1HE LYS 72 17.909 -6.060 -6.624 533 HZ1 LYS 72 3HZ LYS 72 20.170 -6.043 -5.904 534 HZ2 LYS 72 1HZ LYS 72 20.358 -4.409 -6.316 535 HZ3 LYS 72 2HZ LYS 72 20.155 -5.573 -7.536 536 H ASP 73 H ASP 73 18.124 -7.337 -10.521 537 HA ASP 73 HA ASP 73 21.020 -7.591 -10.457 538 HB2 ASP 73 2HB ASP 73 19.291 -8.683 -8.950 539 HB3 ASP 73 1HB ASP 73 18.892 -9.744 -10.302 540 H ILE 74 H ILE 74 18.501 -9.275 -12.385 541 HA ILE 74 HA ILE 74 20.111 -10.799 -14.087 542 HB ILE 74 HB ILE 74 17.553 -9.260 -14.651 543 HG12 ILE 74 2HG1 ILE 74 17.738 -12.203 -14.103 544 HG13 ILE 74 1HG1 ILE 74 17.838 -11.083 -12.745 545 HG21 ILE 74 1HG2 ILE 74 17.175 -10.867 -16.460 546 HG22 ILE 74 2HG2 ILE 74 18.710 -11.660 -16.106 547 HG23 ILE 74 3HG2 ILE 74 18.692 -10.013 -16.737 548 HD11 ILE 74 3HD1 ILE 74 15.720 -9.985 -13.775 549 HD12 ILE 74 1HD1 ILE 74 15.528 -11.516 -12.920 550 HD13 ILE 74 2HD1 ILE 74 15.566 -11.490 -14.683 551 H ASP 75 H ASP 75 19.245 -7.355 -14.447 552 HA ASP 75 HA ASP 75 20.393 -6.869 -17.003 553 HB2 ASP 75 2HB ASP 75 19.908 -5.260 -14.501 554 HB3 ASP 75 1HB ASP 75 20.686 -4.516 -15.898 555 H ALA 76 H ALA 76 21.850 -6.912 -13.767 556 HA ALA 76 HA ALA 76 24.411 -5.861 -14.351 557 HB1 ALA 76 1HB ALA 76 25.018 -6.893 -12.282 558 HB2 ALA 76 2HB ALA 76 23.823 -8.174 -12.490 559 HB3 ALA 76 3HB ALA 76 23.299 -6.527 -12.139 560 H ALA 77 H ALA 77 23.015 -8.940 -15.249 561 HA ALA 77 HA ALA 77 25.645 -10.144 -15.874 562 HB1 ALA 77 1HB ALA 77 22.887 -11.212 -16.495 563 HB2 ALA 77 2HB ALA 77 23.554 -11.279 -14.864 564 HB3 ALA 77 3HB ALA 77 24.364 -12.123 -16.183 565 H ILE 78 H ILE 78 23.076 -8.394 -17.471 566 HA ILE 78 HA ILE 78 23.670 -9.343 -20.165 567 HB ILE 78 HB ILE 78 22.208 -6.880 -19.157 568 HG12 ILE 78 2HG1 ILE 78 21.091 -9.584 -19.964 569 HG13 ILE 78 1HG1 ILE 78 21.366 -9.104 -18.289 570 HG21 ILE 78 1HG2 ILE 78 21.016 -7.177 -21.387 571 HG22 ILE 78 2HG2 ILE 78 22.288 -8.319 -21.819 572 HG23 ILE 78 3HG2 ILE 78 22.691 -6.634 -21.494 573 HD11 ILE 78 3HD1 ILE 78 19.379 -8.017 -20.264 574 HD12 ILE 78 1HD1 ILE 78 19.956 -6.991 -18.951 575 HD13 ILE 78 2HD1 ILE 78 19.128 -8.506 -18.589 576 H ILE 79 H ILE 79 25.220 -7.136 -18.045 577 HA ILE 79 HA ILE 79 26.491 -5.691 -20.338 578 HB ILE 79 HB ILE 79 26.302 -5.063 -17.371 579 HG12 ILE 79 2HG1 ILE 79 24.906 -3.820 -19.768 580 HG13 ILE 79 1HG1 ILE 79 24.148 -4.925 -18.621 581 HG21 ILE 79 1HG2 ILE 79 28.340 -4.178 -18.596 582 HG22 ILE 79 2HG2 ILE 79 27.293 -2.933 -17.912 583 HG23 ILE 79 3HG2 ILE 79 27.235 -3.282 -19.640 584 HD11 ILE 79 3HD1 ILE 79 24.973 -3.220 -16.817 585 HD12 ILE 79 1HD1 ILE 79 23.541 -2.827 -17.768 586 HD13 ILE 79 2HD1 ILE 79 25.096 -2.104 -18.177 587 H GLN 80 H GLN 80 27.114 -7.637 -17.452 588 HA GLN 80 HA GLN 80 30.051 -7.548 -17.918 589 HB2 GLN 80 2HB GLN 80 28.160 -8.449 -15.760 590 HB3 GLN 80 1HB GLN 80 29.804 -9.089 -15.782 591 HG2 GLN 80 2HG GLN 80 30.640 -6.709 -15.898 592 HG3 GLN 80 1HG GLN 80 28.979 -6.178 -15.632 593 HE21 GLN 80 1HE2 GLN 80 29.016 -5.437 -13.479 594 HE22 GLN 80 2HE2 GLN 80 29.547 -6.367 -12.161 595 H ASN 81 H ASN 81 27.274 -9.706 -18.122 596 HA ASN 81 HA ASN 81 29.033 -11.893 -19.182 597 HB2 ASN 81 2HB ASN 81 26.617 -11.712 -17.471 598 HB3 ASN 81 1HB ASN 81 26.598 -13.021 -18.653 599 HD21 ASN 81 1HD2 ASN 81 27.716 -12.174 -15.552 600 HD22 ASN 81 2HD2 ASN 81 28.867 -13.406 -15.362 601 H PHE 82 H PHE 82 26.894 -9.488 -20.164 602 HA PHE 82 HA PHE 82 25.767 -9.041 -22.143 603 HB2 PHE 82 2HB PHE 82 26.876 -9.738 -24.012 604 HB3 PHE 82 1HB PHE 82 28.041 -10.314 -22.835 605 HD1 PHE 82 2HD PHE 82 24.915 -11.490 -24.584 606 HD2 PHE 82 1HD PHE 82 28.787 -12.516 -23.028 607 HE1 PHE 82 2HE PHE 82 24.672 -13.785 -25.486 608 HE2 PHE 82 1HE PHE 82 28.547 -14.806 -23.943 609 HZ PHE 82 HZ PHE 82 26.487 -15.443 -25.168 610 H ARG 83 H ARG 83 25.363 -12.106 -20.577 611 HA ARG 83 HA ARG 83 23.600 -13.655 -20.567 612 HB2 ARG 83 2HB ARG 83 22.444 -10.884 -20.759 613 HB3 ARG 83 1HB ARG 83 21.405 -12.292 -20.526 614 HG2 ARG 83 2HG ARG 83 23.799 -11.757 -18.766 615 HG3 ARG 83 1HG ARG 83 22.203 -11.103 -18.398 616 HD2 ARG 83 2HD ARG 83 22.825 -14.054 -18.786 617 HD3 ARG 83 1HD ARG 83 22.562 -13.257 -17.222 618 HE ARG 83 HE ARG 83 20.343 -12.515 -18.688 619 HH11 ARG 83 1HH2 ARG 83 21.848 -15.564 -17.928 620 HH12 ARG 83 2HH2 ARG 83 20.357 -16.439 -17.987 621 HH21 ARG 83 1HH1 ARG 83 18.424 -13.674 -18.758 622 HH22 ARG 83 2HH1 ARG 83 18.433 -15.380 -18.453 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 15.122 -11.885 -24.431 2 H2 GLY 1 2HT GLY 1 16.382 -12.606 -23.547 3 H3 GLY 1 3HT GLY 1 16.192 -12.952 -25.200 4 HA2 GLY 1 2HA GLY 1 18.015 -11.429 -24.919 5 HA3 GLY 1 1HA GLY 1 16.677 -10.627 -25.743 6 H SER 2 H SER 2 15.779 -8.833 -24.790 7 HA SER 2 HA SER 2 16.501 -8.242 -21.943 8 HB2 SER 2 2HB SER 2 16.847 -5.858 -22.809 9 HB3 SER 2 1HB SER 2 18.062 -7.035 -23.301 10 HG SER 2 HG SER 2 17.540 -6.397 -25.239 11 H HIS 3 H HIS 3 14.601 -7.962 -20.852 12 HA HIS 3 HA HIS 3 12.234 -6.883 -22.345 13 HB2 HIS 3 2HB HIS 3 12.662 -8.810 -20.074 14 HB3 HIS 3 1HB HIS 3 11.109 -7.988 -20.236 15 HD1 HIS 3 1HD HIS 3 9.505 -8.917 -21.933 16 HD2 HIS 3 2HD HIS 3 13.379 -10.347 -22.505 17 HE1 HIS 3 1HE HIS 3 9.359 -10.674 -23.751 18 H MET 4 H MET 4 12.947 -4.644 -21.957 19 HA MET 4 HA MET 4 13.008 -2.626 -20.728 20 HB2 MET 4 2HB MET 4 10.978 -4.368 -19.324 21 HB3 MET 4 1HB MET 4 11.273 -2.707 -18.809 22 HG2 MET 4 2HG MET 4 10.648 -3.420 -21.680 23 HG3 MET 4 1HG MET 4 9.388 -3.034 -20.507 24 HE1 MET 4 3HE MET 4 10.492 -0.631 -18.691 25 HE2 MET 4 1HE MET 4 8.949 -1.094 -19.421 26 HE3 MET 4 2HE MET 4 9.602 0.521 -19.684 27 H ALA 5 H ALA 5 15.303 -3.248 -20.113 28 HA ALA 5 HA ALA 5 15.632 -3.095 -17.203 29 HB1 ALA 5 1HB ALA 5 17.043 -5.421 -18.395 30 HB2 ALA 5 2HB ALA 5 15.294 -5.588 -18.235 31 HB3 ALA 5 3HB ALA 5 16.283 -5.261 -16.812 32 H THR 6 H THR 6 17.023 -1.338 -17.390 33 HA THR 6 HA THR 6 19.164 -1.305 -19.419 34 HB THR 6 HB THR 6 19.570 0.941 -18.366 35 HG1 THR 6 1HG THR 6 18.169 1.568 -16.727 36 HG21 THR 6 3HG2 THR 6 16.651 0.379 -18.954 37 HG22 THR 6 1HG2 THR 6 17.892 0.589 -20.189 38 HG23 THR 6 2HG2 THR 6 17.480 1.927 -19.117 39 HA PRO 7 HA PRO 7 22.243 -3.002 -16.753 40 HB2 PRO 7 2HB PRO 7 24.480 -1.748 -17.751 41 HB3 PRO 7 1HB PRO 7 23.685 -3.117 -18.546 42 HG2 PRO 7 2HG PRO 7 23.528 -0.217 -19.165 43 HG3 PRO 7 1HG PRO 7 23.524 -1.610 -20.258 44 HD2 PRO 7 2HD PRO 7 21.282 -0.209 -19.585 45 HD3 PRO 7 1HD PRO 7 21.269 -1.920 -20.063 46 H TRP 8 H TRP 8 23.901 -2.289 -15.126 47 HA TRP 8 HA TRP 8 24.148 -1.058 -13.104 48 HB2 TRP 8 2HB TRP 8 25.109 1.326 -13.936 49 HB3 TRP 8 1HB TRP 8 26.035 -0.164 -14.019 50 HD1 TRP 8 HD TRP 8 23.797 2.053 -16.246 51 HE1 TRP 8 1HE TRP 8 24.541 1.741 -18.695 52 HE3 TRP 8 3HE TRP 8 27.321 -1.590 -15.639 53 HZ2 TRP 8 2HZ TRP 8 26.392 0.158 -20.195 54 HZ3 TRP 8 3HZ TRP 8 28.564 -2.476 -17.591 55 HH2 TRP 8 HH TRP 8 28.104 -1.607 -19.867 56 H SER 9 H SER 9 21.389 -0.925 -13.877 57 HA SER 9 HA SER 9 20.719 1.745 -12.722 58 HB2 SER 9 2HB SER 9 20.291 2.224 -14.952 59 HB3 SER 9 1HB SER 9 19.962 0.543 -15.356 60 HG SER 9 HG SER 9 18.246 2.492 -14.730 61 H GLY 10 H GLY 10 18.435 -0.603 -14.064 62 HA2 GLY 10 2HA GLY 10 16.852 -1.985 -13.041 63 HA3 GLY 10 1HA GLY 10 17.933 -2.060 -11.650 64 H TYR 11 H TYR 11 17.909 -0.121 -10.218 65 HA TYR 11 HA TYR 11 15.126 0.669 -9.667 66 HB2 TYR 11 2HB TYR 11 17.737 0.537 -8.308 67 HB3 TYR 11 1HB TYR 11 16.744 1.910 -7.819 68 HD1 TYR 11 2HD TYR 11 16.872 -1.786 -8.070 69 HD2 TYR 11 1HD TYR 11 14.708 1.609 -6.572 70 HE1 TYR 11 2HE TYR 11 15.475 -3.290 -6.679 71 HE2 TYR 11 1HE TYR 11 13.311 0.105 -5.181 72 HH TYR 11 HH TYR 11 13.681 -2.308 -4.143 73 H LEU 12 H LEU 12 17.840 2.044 -11.302 74 HA LEU 12 HA LEU 12 17.487 4.823 -10.799 75 HB2 LEU 12 2HB LEU 12 18.682 3.057 -12.861 76 HB3 LEU 12 1HB LEU 12 18.342 4.708 -13.381 77 HG LEU 12 HG LEU 12 19.543 5.500 -11.293 78 HD11 LEU 12 1HD1 LEU 12 19.677 3.737 -9.803 79 HD12 LEU 12 2HD1 LEU 12 21.245 3.565 -10.591 80 HD13 LEU 12 3HD1 LEU 12 19.896 2.540 -11.078 81 HD21 LEU 12 3HD2 LEU 12 21.579 5.524 -12.410 82 HD22 LEU 12 1HD2 LEU 12 20.507 5.067 -13.733 83 HD23 LEU 12 2HD2 LEU 12 21.450 3.834 -12.895 84 H ASP 13 H ASP 13 15.587 2.580 -12.703 85 HA ASP 13 HA ASP 13 13.473 4.542 -13.096 86 HB2 ASP 13 2HB ASP 13 15.307 5.127 -14.770 87 HB3 ASP 13 1HB ASP 13 14.962 3.586 -15.555 88 H ASP 14 H ASP 14 14.897 1.459 -14.179 89 HA ASP 14 HA ASP 14 12.607 0.206 -15.254 90 HB2 ASP 14 2HB ASP 14 15.214 -0.535 -14.119 91 HB3 ASP 14 1HB ASP 14 14.004 -1.812 -14.015 92 H VAL 15 H VAL 15 13.827 -0.904 -12.167 93 HA VAL 15 HA VAL 15 11.435 -1.985 -11.186 94 HB VAL 15 HB VAL 15 13.713 -0.664 -9.688 95 HG11 VAL 15 1HG1 VAL 15 13.042 -2.675 -8.124 96 HG12 VAL 15 2HG1 VAL 15 11.487 -2.510 -8.941 97 HG13 VAL 15 3HG1 VAL 15 12.162 -1.148 -8.045 98 HG21 VAL 15 3HG2 VAL 15 13.413 -3.239 -11.178 99 HG22 VAL 15 1HG2 VAL 15 14.356 -3.256 -9.688 100 HG23 VAL 15 2HG2 VAL 15 14.825 -2.198 -11.017 101 H SER 16 H SER 16 12.724 1.296 -10.765 102 HA SER 16 HA SER 16 10.881 2.347 -8.921 103 HB2 SER 16 2HB SER 16 12.790 3.583 -9.572 104 HB3 SER 16 1HB SER 16 12.406 3.433 -11.283 105 HG SER 16 HG SER 16 11.019 5.038 -11.119 106 H ALA 17 H ALA 17 10.493 1.782 -12.404 107 HA ALA 17 HA ALA 17 8.024 3.264 -12.714 108 HB1 ALA 17 1HB ALA 17 8.084 2.358 -14.881 109 HB2 ALA 17 2HB ALA 17 8.785 0.836 -14.326 110 HB3 ALA 17 3HB ALA 17 9.784 2.287 -14.417 111 H LYS 18 H LYS 18 8.839 -0.048 -11.816 112 HA LYS 18 HA LYS 18 6.010 -0.897 -11.712 113 HB2 LYS 18 2HB LYS 18 8.635 -2.224 -10.945 114 HB3 LYS 18 1HB LYS 18 7.073 -3.040 -11.002 115 HG2 LYS 18 2HG LYS 18 8.172 -1.573 -13.400 116 HG3 LYS 18 1HG LYS 18 8.584 -3.258 -13.081 117 HD2 LYS 18 2HD LYS 18 6.038 -3.646 -12.876 118 HD3 LYS 18 1HD LYS 18 5.869 -2.071 -13.655 119 HE2 LYS 18 2HE LYS 18 6.952 -2.815 -15.642 120 HE3 LYS 18 1HE LYS 18 7.591 -4.265 -14.842 121 HZ1 LYS 18 3HZ LYS 18 5.273 -4.950 -14.423 122 HZ2 LYS 18 1HZ LYS 18 5.637 -4.868 -16.078 123 HZ3 LYS 18 2HZ LYS 18 4.731 -3.631 -15.347 124 H PHE 19 H PHE 19 8.512 0.326 -9.604 125 HA PHE 19 HA PHE 19 7.126 -0.453 -7.121 126 HB2 PHE 19 2HB PHE 19 9.705 0.713 -8.010 127 HB3 PHE 19 1HB PHE 19 9.129 1.279 -6.443 128 HD1 PHE 19 1HD PHE 19 9.040 -2.005 -8.262 129 HD2 PHE 19 2HD PHE 19 10.090 0.111 -4.676 130 HE1 PHE 19 1HE PHE 19 9.773 -4.130 -7.223 131 HE2 PHE 19 2HE PHE 19 10.823 -2.016 -3.634 132 HZ PHE 19 HZ PHE 19 10.664 -4.139 -4.908 133 H ASP 20 H ASP 20 8.395 2.714 -8.196 134 HA ASP 20 HA ASP 20 6.642 4.292 -6.620 135 HB2 ASP 20 2HB ASP 20 8.724 5.075 -7.673 136 HB3 ASP 20 1HB ASP 20 8.007 4.886 -9.270 137 H THR 21 H THR 21 6.378 4.463 -10.175 138 HA THR 21 HA THR 21 3.683 5.235 -10.285 139 HB THR 21 HB THR 21 4.991 3.398 -12.293 140 HG1 THR 21 1HG THR 21 5.469 6.170 -11.962 141 HG21 THR 21 3HG2 THR 21 3.179 5.817 -12.496 142 HG22 THR 21 1HG2 THR 21 2.731 4.141 -12.814 143 HG23 THR 21 2HG2 THR 21 3.871 4.966 -13.877 144 H GLY 22 H GLY 22 4.964 1.894 -10.551 145 HA2 GLY 22 2HA GLY 22 2.543 0.516 -10.887 146 HA3 GLY 22 1HA GLY 22 3.944 -0.163 -10.065 147 H VAL 23 H VAL 23 4.187 0.562 -7.717 148 HA VAL 23 HA VAL 23 1.863 -0.195 -6.255 149 HB VAL 23 HB VAL 23 4.337 1.316 -5.373 150 HG11 VAL 23 1HG1 VAL 23 3.834 0.666 -3.177 151 HG12 VAL 23 2HG1 VAL 23 2.725 -0.598 -3.708 152 HG13 VAL 23 3HG1 VAL 23 2.249 1.096 -3.820 153 HG21 VAL 23 3HG2 VAL 23 4.072 -1.608 -4.952 154 HG22 VAL 23 1HG2 VAL 23 5.487 -0.666 -5.419 155 HG23 VAL 23 2HG2 VAL 23 4.284 -1.108 -6.629 156 H ASP 24 H ASP 24 3.256 3.077 -6.798 157 HA ASP 24 HA ASP 24 1.437 4.553 -5.187 158 HB2 ASP 24 2HB ASP 24 3.520 5.350 -6.398 159 HB3 ASP 24 1HB ASP 24 2.571 5.356 -7.885 160 H ASN 25 H ASN 25 1.146 3.344 -8.513 161 HA ASN 25 HA ASN 25 -1.376 4.582 -9.139 162 HB2 ASN 25 2HB ASN 25 0.192 3.602 -10.787 163 HB3 ASN 25 1HB ASN 25 -0.087 2.000 -10.101 164 HD21 ASN 25 1HD2 ASN 25 -1.267 4.300 -12.388 165 HD22 ASN 25 2HD2 ASN 25 -2.709 3.495 -12.783 166 H LEU 26 H LEU 26 -0.486 1.403 -7.769 167 HA LEU 26 HA LEU 26 -3.188 0.409 -7.513 168 HB2 LEU 26 2HB LEU 26 -0.498 -0.398 -6.963 169 HB3 LEU 26 1HB LEU 26 -1.427 -0.619 -5.485 170 HG LEU 26 HG LEU 26 -2.302 -1.636 -8.189 171 HD11 LEU 26 1HD1 LEU 26 -0.492 -3.013 -7.771 172 HD12 LEU 26 2HD1 LEU 26 -1.757 -3.883 -6.904 173 HD13 LEU 26 3HD1 LEU 26 -0.637 -2.844 -6.024 174 HD21 LEU 26 3HD2 LEU 26 -3.613 -1.350 -5.645 175 HD22 LEU 26 1HD2 LEU 26 -3.448 -3.064 -6.025 176 HD23 LEU 26 2HD2 LEU 26 -4.266 -1.986 -7.154 177 H GLN 27 H GLN 27 -1.133 2.439 -5.485 178 HA GLN 27 HA GLN 27 -2.787 2.269 -3.100 179 HB2 GLN 27 2HB GLN 27 -0.256 3.023 -3.662 180 HB3 GLN 27 1HB GLN 27 -1.026 4.611 -3.634 181 HG2 GLN 27 2HG GLN 27 -1.904 4.193 -1.397 182 HG3 GLN 27 1HG GLN 27 -1.262 2.550 -1.423 183 HE21 GLN 27 1HE2 GLN 27 0.276 5.640 -2.459 184 HE22 GLN 27 2HE2 GLN 27 1.609 5.497 -1.417 185 H THR 28 H THR 28 -2.605 4.478 -5.882 186 HA THR 28 HA THR 28 -4.574 6.322 -4.700 187 HB THR 28 HB THR 28 -2.619 6.982 -6.156 188 HG1 THR 28 1HG THR 28 -3.972 8.584 -6.241 189 HG21 THR 28 3HG2 THR 28 -2.916 6.704 -8.614 190 HG22 THR 28 1HG2 THR 28 -4.312 5.672 -8.306 191 HG23 THR 28 2HG2 THR 28 -2.705 5.165 -7.782 192 H GLN 29 H GLN 29 -4.550 3.594 -6.920 193 HA GLN 29 HA GLN 29 -7.025 4.057 -8.259 194 HB2 GLN 29 2HB GLN 29 -5.051 2.022 -8.028 195 HB3 GLN 29 1HB GLN 29 -6.604 1.260 -7.706 196 HG2 GLN 29 2HG GLN 29 -5.850 2.882 -10.153 197 HG3 GLN 29 1HG GLN 29 -6.199 1.157 -10.093 198 HE21 GLN 29 1HE2 GLN 29 -8.530 1.612 -8.175 199 HE22 GLN 29 2HE2 GLN 29 -9.766 2.251 -9.141 200 H VAL 30 H VAL 30 -6.363 2.226 -5.229 201 HA VAL 30 HA VAL 30 -9.127 1.597 -4.744 202 HB VAL 30 HB VAL 30 -8.152 1.677 -2.226 203 HG11 VAL 30 1HG1 VAL 30 -8.641 -0.253 -4.193 204 HG12 VAL 30 2HG1 VAL 30 -8.389 -0.540 -2.472 205 HG13 VAL 30 3HG1 VAL 30 -7.029 -0.629 -3.588 206 HG21 VAL 30 3HG2 VAL 30 -5.667 0.972 -3.755 207 HG22 VAL 30 1HG2 VAL 30 -5.844 1.413 -2.056 208 HG23 VAL 30 2HG2 VAL 30 -5.970 2.651 -3.306 209 H THR 31 H THR 31 -7.166 4.453 -4.147 210 HA THR 31 HA THR 31 -8.933 5.825 -2.350 211 HB THR 31 HB THR 31 -7.351 7.139 -4.566 212 HG1 THR 31 1HG THR 31 -5.554 6.902 -3.062 213 HG21 THR 31 3HG2 THR 31 -8.467 8.694 -3.160 214 HG22 THR 31 1HG2 THR 31 -6.807 8.654 -2.565 215 HG23 THR 31 2HG2 THR 31 -8.073 7.778 -1.706 216 H GLU 32 H GLU 32 -8.693 5.712 -5.914 217 HA GLU 32 HA GLU 32 -11.012 7.327 -6.490 218 HB2 GLU 32 2HB GLU 32 -9.799 4.973 -7.999 219 HB3 GLU 32 1HB GLU 32 -10.854 6.203 -8.691 220 HG2 GLU 32 2HG GLU 32 -8.136 6.736 -7.465 221 HG3 GLU 32 1HG GLU 32 -8.467 6.637 -9.193 222 H ALA 33 H ALA 33 -10.438 3.834 -6.191 223 HA ALA 33 HA ALA 33 -13.066 2.839 -6.493 224 HB1 ALA 33 1HB ALA 33 -10.811 1.625 -6.248 225 HB2 ALA 33 2HB ALA 33 -12.155 0.893 -5.373 226 HB3 ALA 33 3HB ALA 33 -10.973 1.873 -4.513 227 H LEU 34 H LEU 34 -11.563 4.595 -3.861 228 HA LEU 34 HA LEU 34 -13.547 3.961 -1.820 229 HB2 LEU 34 2HB LEU 34 -11.053 4.853 -1.726 230 HB3 LEU 34 1HB LEU 34 -11.827 6.432 -1.860 231 HG LEU 34 HG LEU 34 -13.351 5.651 0.068 232 HD11 LEU 34 1HD1 LEU 34 -12.684 3.814 1.374 233 HD12 LEU 34 2HD1 LEU 34 -11.064 3.787 0.677 234 HD13 LEU 34 3HD1 LEU 34 -12.442 3.230 -0.272 235 HD21 LEU 34 3HD2 LEU 34 -11.898 6.632 1.614 236 HD22 LEU 34 1HD2 LEU 34 -11.219 7.201 0.089 237 HD23 LEU 34 2HD2 LEU 34 -10.477 5.841 0.931 238 H ASP 35 H ASP 35 -12.799 6.983 -3.600 239 HA ASP 35 HA ASP 35 -15.187 8.387 -2.900 240 HB2 ASP 35 2HB ASP 35 -13.280 8.503 -5.257 241 HB3 ASP 35 1HB ASP 35 -14.563 9.688 -5.013 242 H LYS 36 H LYS 36 -14.508 5.942 -5.321 243 HA LYS 36 HA LYS 36 -17.020 6.326 -6.790 244 HB2 LYS 36 2HB LYS 36 -14.563 4.639 -6.891 245 HB3 LYS 36 1HB LYS 36 -16.002 3.980 -7.643 246 HG2 LYS 36 2HG LYS 36 -15.842 5.380 -9.398 247 HG3 LYS 36 1HG LYS 36 -15.670 6.780 -8.341 248 HD2 LYS 36 2HD LYS 36 -13.685 6.434 -9.814 249 HD3 LYS 36 1HD LYS 36 -13.279 6.359 -8.102 250 HE2 LYS 36 2HE LYS 36 -12.477 4.255 -8.356 251 HE3 LYS 36 1HE LYS 36 -14.023 3.719 -9.040 252 HZ1 LYS 36 3HZ LYS 36 -12.137 3.569 -10.628 253 HZ2 LYS 36 1HZ LYS 36 -11.977 5.256 -10.550 254 HZ3 LYS 36 2HZ LYS 36 -13.400 4.568 -11.172 255 H LEU 37 H LEU 37 -15.662 4.146 -4.325 256 HA LEU 37 HA LEU 37 -17.773 2.223 -4.248 257 HB2 LEU 37 2HB LEU 37 -15.827 1.661 -3.060 258 HB3 LEU 37 1HB LEU 37 -15.673 3.271 -2.363 259 HG LEU 37 HG LEU 37 -17.566 2.844 -0.867 260 HD11 LEU 37 1HD1 LEU 37 -17.656 0.068 -2.085 261 HD12 LEU 37 2HD1 LEU 37 -18.804 1.352 -2.459 262 HD13 LEU 37 3HD1 LEU 37 -18.711 0.702 -0.823 263 HD21 LEU 37 3HD2 LEU 37 -16.570 0.757 0.321 264 HD22 LEU 37 1HD2 LEU 37 -15.543 2.179 0.135 265 HD23 LEU 37 2HD2 LEU 37 -15.350 0.803 -0.952 266 H ALA 38 H ALA 38 -17.228 4.973 -2.034 267 HA ALA 38 HA ALA 38 -19.809 4.920 -0.819 268 HB1 ALA 38 1HB ALA 38 -18.099 7.366 -1.307 269 HB2 ALA 38 2HB ALA 38 -17.621 6.105 -0.171 270 HB3 ALA 38 3HB ALA 38 -19.112 7.010 0.093 271 H ALA 39 H ALA 39 -18.746 6.063 -3.934 272 HA ALA 39 HA ALA 39 -20.679 8.029 -4.605 273 HB1 ALA 39 1HB ALA 39 -19.873 7.645 -6.761 274 HB2 ALA 39 2HB ALA 39 -19.898 5.892 -6.560 275 HB3 ALA 39 3HB ALA 39 -18.608 6.844 -5.833 276 H LYS 40 H LYS 40 -20.774 4.555 -5.366 277 HA LYS 40 HA LYS 40 -23.696 4.631 -5.788 278 HB2 LYS 40 2HB LYS 40 -21.357 3.008 -6.485 279 HB3 LYS 40 1HB LYS 40 -22.711 2.008 -5.961 280 HG2 LYS 40 2HG LYS 40 -22.838 2.367 -8.376 281 HG3 LYS 40 1HG LYS 40 -24.178 3.197 -7.585 282 HD2 LYS 40 2HD LYS 40 -23.265 5.308 -7.947 283 HD3 LYS 40 1HD LYS 40 -21.617 4.687 -8.054 284 HE2 LYS 40 2HE LYS 40 -22.402 5.354 -10.293 285 HE3 LYS 40 1HE LYS 40 -22.223 3.589 -10.231 286 HZ1 LYS 40 3HZ LYS 40 -24.756 4.987 -9.575 287 HZ2 LYS 40 1HZ LYS 40 -24.524 3.324 -9.813 288 HZ3 LYS 40 2HZ LYS 40 -24.407 4.394 -11.128 289 HA PRO 41 HA PRO 41 -24.654 3.383 -1.636 290 HB2 PRO 41 2HB PRO 41 -26.732 1.605 -2.781 291 HB3 PRO 41 1HB PRO 41 -26.913 2.967 -1.659 292 HG2 PRO 41 2HG PRO 41 -27.668 3.105 -4.235 293 HG3 PRO 41 1HG PRO 41 -27.070 4.505 -3.334 294 HD2 PRO 41 2HD PRO 41 -25.716 2.888 -5.421 295 HD3 PRO 41 1HD PRO 41 -25.538 4.611 -5.023 296 H SER 42 H SER 42 -25.555 0.850 -0.808 297 HA SER 42 HA SER 42 -23.230 -0.755 -0.728 298 HB2 SER 42 2HB SER 42 -26.127 -1.024 -0.186 299 HB3 SER 42 1HB SER 42 -25.291 -2.549 -0.466 300 HG SER 42 HG SER 42 -24.020 -2.180 1.250 301 H ASP 43 H ASP 43 -22.334 -0.951 -2.867 302 HA ASP 43 HA ASP 43 -23.980 -2.501 -4.826 303 HB2 ASP 43 2HB ASP 43 -21.884 -0.368 -4.974 304 HB3 ASP 43 1HB ASP 43 -22.046 -1.482 -6.332 305 HA PRO 44 HA PRO 44 -21.078 -5.823 -4.598 306 HB2 PRO 44 2HB PRO 44 -21.404 -6.855 -7.119 307 HB3 PRO 44 1HB PRO 44 -22.609 -7.052 -5.835 308 HG2 PRO 44 2HG PRO 44 -22.614 -5.268 -8.181 309 HG3 PRO 44 1HG PRO 44 -23.970 -6.028 -7.339 310 HD2 PRO 44 2HD PRO 44 -23.206 -3.378 -7.091 311 HD3 PRO 44 1HD PRO 44 -24.229 -4.268 -5.944 312 H ALA 45 H ALA 45 -21.082 -4.006 -7.612 313 HA ALA 45 HA ALA 45 -18.457 -4.806 -8.478 314 HB1 ALA 45 1HB ALA 45 -20.245 -2.484 -9.211 315 HB2 ALA 45 2HB ALA 45 -20.385 -4.121 -9.853 316 HB3 ALA 45 3HB ALA 45 -18.954 -3.153 -10.209 317 H LEU 46 H LEU 46 -19.625 -1.604 -7.303 318 HA LEU 46 HA LEU 46 -17.184 -0.231 -7.242 319 HB2 LEU 46 2HB LEU 46 -19.803 -0.143 -5.911 320 HB3 LEU 46 1HB LEU 46 -18.524 0.584 -4.948 321 HG LEU 46 HG LEU 46 -19.527 2.304 -6.332 322 HD11 LEU 46 1HD1 LEU 46 -16.990 2.225 -6.054 323 HD12 LEU 46 2HD1 LEU 46 -17.611 3.189 -7.393 324 HD13 LEU 46 3HD1 LEU 46 -16.932 1.595 -7.700 325 HD21 LEU 46 3HD2 LEU 46 -19.606 2.164 -8.750 326 HD22 LEU 46 1HD2 LEU 46 -20.423 0.756 -8.070 327 HD23 LEU 46 2HD2 LEU 46 -18.790 0.600 -8.720 328 H LEU 47 H LEU 47 -18.626 -1.926 -4.442 329 HA LEU 47 HA LEU 47 -16.403 -1.793 -2.685 330 HB2 LEU 47 2HB LEU 47 -18.953 -2.702 -2.620 331 HB3 LEU 47 1HB LEU 47 -18.098 -4.241 -2.727 332 HG LEU 47 HG LEU 47 -16.592 -3.094 -0.839 333 HD11 LEU 47 1HD1 LEU 47 -18.601 -2.027 0.640 334 HD12 LEU 47 2HD1 LEU 47 -19.113 -1.529 -0.973 335 HD13 LEU 47 3HD1 LEU 47 -17.526 -1.057 -0.365 336 HD21 LEU 47 3HD2 LEU 47 -17.562 -5.168 -0.339 337 HD22 LEU 47 1HD2 LEU 47 -19.196 -4.592 -0.669 338 HD23 LEU 47 2HD2 LEU 47 -18.372 -4.104 0.812 339 H ALA 48 H ALA 48 -17.353 -4.410 -4.932 340 HA ALA 48 HA ALA 48 -15.164 -6.176 -4.515 341 HB1 ALA 48 1HB ALA 48 -17.113 -6.804 -5.795 342 HB2 ALA 48 2HB ALA 48 -15.741 -6.841 -6.904 343 HB3 ALA 48 3HB ALA 48 -16.857 -5.476 -6.927 344 H ALA 49 H ALA 49 -15.473 -3.237 -6.395 345 HA ALA 49 HA ALA 49 -13.100 -3.512 -7.989 346 HB1 ALA 49 1HB ALA 49 -15.193 -1.982 -8.149 347 HB2 ALA 49 2HB ALA 49 -13.635 -1.305 -8.618 348 HB3 ALA 49 3HB ALA 49 -14.320 -0.929 -7.037 349 H TYR 50 H TYR 50 -13.668 -1.358 -5.130 350 HA TYR 50 HA TYR 50 -10.961 -0.637 -4.709 351 HB2 TYR 50 2HB TYR 50 -13.003 0.313 -3.620 352 HB3 TYR 50 1HB TYR 50 -13.119 -1.145 -2.639 353 HD1 TYR 50 1HD TYR 50 -10.899 -1.786 -1.316 354 HD2 TYR 50 2HD TYR 50 -11.839 2.131 -2.791 355 HE1 TYR 50 1HE TYR 50 -9.313 -0.794 0.297 356 HE2 TYR 50 2HE TYR 50 -10.252 3.125 -1.182 357 HH TYR 50 HH TYR 50 -8.245 2.416 0.101 358 H GLN 51 H GLN 51 -12.750 -3.521 -3.621 359 HA GLN 51 HA GLN 51 -10.636 -4.572 -1.944 360 HB2 GLN 51 2HB GLN 51 -13.017 -5.786 -3.382 361 HB3 GLN 51 1HB GLN 51 -12.014 -6.681 -2.240 362 HG2 GLN 51 2HG GLN 51 -12.514 -4.948 -0.510 363 HG3 GLN 51 1HG GLN 51 -13.613 -4.174 -1.651 364 HE21 GLN 51 1HE2 GLN 51 -15.431 -5.646 -2.505 365 HE22 GLN 51 2HE2 GLN 51 -16.066 -6.807 -1.441 366 H SER 52 H SER 52 -11.706 -5.271 -5.290 367 HA SER 52 HA SER 52 -9.866 -7.220 -6.078 368 HB2 SER 52 2HB SER 52 -11.753 -6.263 -7.409 369 HB3 SER 52 1HB SER 52 -10.827 -4.780 -7.625 370 HG SER 52 HG SER 52 -10.647 -6.320 -9.374 371 H LYS 53 H LYS 53 -9.444 -3.692 -5.990 372 HA LYS 53 HA LYS 53 -6.688 -3.746 -6.935 373 HB2 LYS 53 2HB LYS 53 -8.767 -1.869 -6.371 374 HB3 LYS 53 1HB LYS 53 -7.386 -1.412 -5.378 375 HG2 LYS 53 2HG LYS 53 -6.339 -0.565 -7.173 376 HG3 LYS 53 1HG LYS 53 -6.424 -2.124 -7.988 377 HD2 LYS 53 2HD LYS 53 -8.943 -0.540 -7.891 378 HD3 LYS 53 1HD LYS 53 -7.661 0.069 -8.939 379 HE2 LYS 53 2HE LYS 53 -7.640 -1.885 -10.268 380 HE3 LYS 53 1HE LYS 53 -8.478 -2.839 -9.027 381 HZ1 LYS 53 3HZ LYS 53 -9.615 -0.524 -10.509 382 HZ2 LYS 53 1HZ LYS 53 -10.407 -1.383 -9.279 383 HZ3 LYS 53 2HZ LYS 53 -10.030 -2.154 -10.745 384 H LEU 54 H LEU 54 -8.344 -3.815 -3.833 385 HA LEU 54 HA LEU 54 -6.135 -3.293 -2.094 386 HB2 LEU 54 2HB LEU 54 -8.728 -3.511 -1.745 387 HB3 LEU 54 1HB LEU 54 -8.376 -5.216 -1.484 388 HG LEU 54 HG LEU 54 -6.574 -4.377 0.175 389 HD11 LEU 54 1HD1 LEU 54 -7.949 -1.893 -0.624 390 HD12 LEU 54 2HD1 LEU 54 -6.364 -2.113 0.115 391 HD13 LEU 54 3HD1 LEU 54 -7.811 -2.110 1.121 392 HD21 LEU 54 3HD2 LEU 54 -8.971 -5.388 0.572 393 HD22 LEU 54 1HD2 LEU 54 -9.376 -3.745 1.068 394 HD23 LEU 54 2HD2 LEU 54 -8.114 -4.638 1.919 395 H SER 55 H SER 55 -7.642 -6.479 -2.718 396 HA SER 55 HA SER 55 -5.695 -8.156 -1.644 397 HB2 SER 55 2HB SER 55 -6.538 -9.720 -3.553 398 HB3 SER 55 1HB SER 55 -7.717 -9.102 -2.401 399 HG SER 55 HG SER 55 -7.202 -8.314 -5.056 400 H GLU 56 H GLU 56 -5.732 -6.727 -4.908 401 HA GLU 56 HA GLU 56 -3.311 -8.040 -5.821 402 HB2 GLU 56 2HB GLU 56 -5.214 -6.979 -7.170 403 HB3 GLU 56 1HB GLU 56 -4.510 -5.417 -6.751 404 HG2 GLU 56 2HG GLU 56 -3.450 -5.839 -8.775 405 HG3 GLU 56 1HG GLU 56 -2.285 -6.524 -7.641 406 H TYR 57 H TYR 57 -4.064 -5.015 -4.174 407 HA TYR 57 HA TYR 57 -1.449 -3.813 -4.489 408 HB2 TYR 57 2HB TYR 57 -3.557 -2.587 -4.092 409 HB3 TYR 57 1HB TYR 57 -3.691 -3.338 -2.508 410 HD1 TYR 57 2HD TYR 57 -0.623 -2.032 -4.228 411 HD2 TYR 57 1HD TYR 57 -3.442 -1.575 -1.027 412 HE1 TYR 57 2HE TYR 57 0.820 -0.298 -3.196 413 HE2 TYR 57 1HE TYR 57 -2.002 0.156 0.011 414 HH TYR 57 HH TYR 57 0.614 1.595 -1.657 415 H ASN 58 H ASN 58 -3.069 -5.244 -1.612 416 HA ASN 58 HA ASN 58 -0.910 -5.147 0.184 417 HB2 ASN 58 2HB ASN 58 -3.275 -6.954 -0.260 418 HB3 ASN 58 1HB ASN 58 -2.105 -7.383 0.989 419 HD21 ASN 58 1HD2 ASN 58 -4.484 -4.929 0.022 420 HD22 ASN 58 2HD2 ASN 58 -4.550 -4.152 1.530 421 H LEU 59 H LEU 59 -1.679 -7.613 -2.270 422 HA LEU 59 HA LEU 59 0.592 -9.331 -1.679 423 HB2 LEU 59 2HB LEU 59 -1.656 -9.779 -2.937 424 HB3 LEU 59 1HB LEU 59 -0.850 -9.058 -4.328 425 HG LEU 59 HG LEU 59 -0.638 -11.528 -4.322 426 HD11 LEU 59 1HD1 LEU 59 1.542 -11.505 -5.066 427 HD12 LEU 59 2HD1 LEU 59 2.119 -10.583 -3.677 428 HD13 LEU 59 3HD1 LEU 59 1.260 -9.766 -4.983 429 HD21 LEU 59 3HD2 LEU 59 -0.508 -11.423 -1.661 430 HD22 LEU 59 1HD2 LEU 59 1.225 -11.383 -1.984 431 HD23 LEU 59 2HD2 LEU 59 0.251 -12.737 -2.560 432 H TYR 60 H TYR 60 -0.072 -6.588 -3.791 433 HA TYR 60 HA TYR 60 2.113 -6.528 -5.545 434 HB2 TYR 60 2HB TYR 60 0.061 -4.889 -4.771 435 HB3 TYR 60 1HB TYR 60 1.443 -3.995 -4.162 436 HD1 TYR 60 2HD TYR 60 0.497 -5.926 -7.239 437 HD2 TYR 60 1HD TYR 60 2.363 -2.437 -5.578 438 HE1 TYR 60 2HE TYR 60 0.921 -5.065 -9.520 439 HE2 TYR 60 1HE TYR 60 2.785 -1.577 -7.854 440 HH TYR 60 HH TYR 60 1.700 -1.929 -10.190 441 H ARG 61 H ARG 61 1.963 -4.966 -2.327 442 HA ARG 61 HA ARG 61 4.536 -3.998 -2.023 443 HB2 ARG 61 2HB ARG 61 2.458 -5.180 -0.247 444 HB3 ARG 61 1HB ARG 61 4.055 -4.932 0.461 445 HG2 ARG 61 2HG ARG 61 3.913 -2.645 0.323 446 HG3 ARG 61 1HG ARG 61 2.954 -2.690 -1.156 447 HD2 ARG 61 2HD ARG 61 1.561 -1.884 0.708 448 HD3 ARG 61 1HD ARG 61 0.994 -3.488 0.203 449 HE ARG 61 HE ARG 61 3.064 -3.629 2.248 450 HH11 ARG 61 1HH2 ARG 61 -0.345 -3.221 1.657 451 HH12 ARG 61 2HH2 ARG 61 -0.797 -3.814 3.217 452 HH21 ARG 61 1HH1 ARG 61 2.449 -4.393 4.265 453 HH22 ARG 61 2HH1 ARG 61 0.771 -4.472 4.683 454 H ASN 62 H ASN 62 3.531 -7.389 -1.468 455 HA ASN 62 HA ASN 62 6.229 -8.244 -0.729 456 HB2 ASN 62 2HB ASN 62 3.657 -9.688 -1.450 457 HB3 ASN 62 1HB ASN 62 5.101 -10.493 -0.834 458 HD21 ASN 62 1HD2 ASN 62 2.303 -8.625 0.072 459 HD22 ASN 62 2HD2 ASN 62 2.648 -8.535 1.732 460 H ALA 63 H ALA 63 4.078 -8.920 -3.526 461 HA ALA 63 HA ALA 63 5.832 -10.382 -5.142 462 HB1 ALA 63 1HB ALA 63 4.206 -8.353 -6.539 463 HB2 ALA 63 2HB ALA 63 3.323 -9.276 -5.323 464 HB3 ALA 63 3HB ALA 63 4.141 -10.112 -6.643 465 H GLN 64 H GLN 64 5.243 -6.882 -5.708 466 HA GLN 64 HA GLN 64 7.409 -6.388 -7.423 467 HB2 GLN 64 2HB GLN 64 5.906 -4.757 -5.382 468 HB3 GLN 64 1HB GLN 64 7.220 -4.023 -6.298 469 HG2 GLN 64 2HG GLN 64 4.749 -5.345 -7.470 470 HG3 GLN 64 1HG GLN 64 5.076 -3.614 -7.427 471 HE21 GLN 64 1HE2 GLN 64 7.900 -3.757 -8.126 472 HE22 GLN 64 2HE2 GLN 64 7.999 -4.271 -9.739 473 H SER 65 H SER 65 7.414 -6.606 -3.896 474 HA SER 65 HA SER 65 10.160 -5.645 -3.587 475 HB2 SER 65 2HB SER 65 8.451 -5.408 -1.841 476 HB3 SER 65 1HB SER 65 8.246 -7.156 -1.777 477 HG SER 65 HG SER 65 9.700 -6.130 -0.174 478 H ASN 66 H ASN 66 8.574 -8.747 -4.052 479 HA ASN 66 HA ASN 66 11.001 -10.295 -3.398 480 HB2 ASN 66 2HB ASN 66 8.556 -10.909 -2.928 481 HB3 ASN 66 1HB ASN 66 8.413 -11.232 -4.656 482 HD21 ASN 66 1HD2 ASN 66 10.097 -12.845 -5.548 483 HD22 ASN 66 2HD2 ASN 66 10.572 -14.119 -4.532 484 H THR 67 H THR 67 9.480 -8.902 -6.210 485 HA THR 67 HA THR 67 10.986 -10.640 -8.082 486 HB THR 67 HB THR 67 9.667 -9.376 -9.766 487 HG1 THR 67 1HG THR 67 8.403 -8.083 -7.606 488 HG21 THR 67 3HG2 THR 67 7.813 -10.630 -9.363 489 HG22 THR 67 1HG2 THR 67 7.591 -9.958 -7.748 490 HG23 THR 67 2HG2 THR 67 8.755 -11.256 -8.010 491 H ALA 68 H ALA 68 10.869 -7.227 -7.027 492 HA ALA 68 HA ALA 68 12.737 -6.148 -8.885 493 HB1 ALA 68 1HB ALA 68 13.153 -4.667 -6.672 494 HB2 ALA 68 2HB ALA 68 11.694 -5.518 -6.167 495 HB3 ALA 68 3HB ALA 68 11.680 -4.535 -7.630 496 H LYS 69 H LYS 69 13.261 -7.852 -5.809 497 HA LYS 69 HA LYS 69 16.037 -7.383 -5.461 498 HB2 LYS 69 2HB LYS 69 14.153 -8.645 -4.083 499 HB3 LYS 69 1HB LYS 69 14.805 -10.063 -4.906 500 HG2 LYS 69 2HG LYS 69 17.121 -8.968 -4.125 501 HG3 LYS 69 1HG LYS 69 16.082 -8.301 -2.865 502 HD2 LYS 69 2HD LYS 69 15.589 -10.379 -1.975 503 HD3 LYS 69 1HD LYS 69 15.823 -11.210 -3.514 504 HE2 LYS 69 2HE LYS 69 18.194 -9.892 -2.222 505 HE3 LYS 69 1HE LYS 69 17.644 -11.466 -1.616 506 HZ1 LYS 69 3HZ LYS 69 17.661 -12.307 -3.885 507 HZ2 LYS 69 1HZ LYS 69 19.202 -11.748 -3.449 508 HZ3 LYS 69 2HZ LYS 69 18.211 -10.806 -4.459 509 H ALA 70 H ALA 70 14.407 -10.036 -7.226 510 HA ALA 70 HA ALA 70 16.896 -11.187 -8.211 511 HB1 ALA 70 1HB ALA 70 14.388 -12.082 -7.851 512 HB2 ALA 70 2HB ALA 70 15.467 -12.809 -9.042 513 HB3 ALA 70 3HB ALA 70 14.261 -11.627 -9.550 514 H PHE 71 H PHE 71 14.547 -8.840 -9.384 515 HA PHE 71 HA PHE 71 15.260 -8.765 -12.141 516 HB2 PHE 71 2HB PHE 71 13.498 -7.512 -10.422 517 HB3 PHE 71 1HB PHE 71 14.587 -6.196 -10.859 518 HD1 PHE 71 1HD PHE 71 12.453 -8.902 -12.295 519 HD2 PHE 71 2HD PHE 71 14.454 -5.164 -12.980 520 HE1 PHE 71 1HE PHE 71 11.327 -8.702 -14.497 521 HE2 PHE 71 2HE PHE 71 13.329 -4.964 -15.182 522 HZ PHE 71 HZ PHE 71 11.766 -6.733 -15.941 523 H LYS 72 H LYS 72 16.280 -6.435 -9.606 524 HA LYS 72 HA LYS 72 18.331 -5.200 -11.158 525 HB2 LYS 72 2HB LYS 72 19.056 -4.338 -8.952 526 HB3 LYS 72 1HB LYS 72 17.302 -4.274 -9.112 527 HG2 LYS 72 2HG LYS 72 17.429 -6.681 -8.018 528 HG3 LYS 72 1HG LYS 72 18.985 -6.096 -7.429 529 HD2 LYS 72 2HD LYS 72 17.387 -3.947 -6.884 530 HD3 LYS 72 1HD LYS 72 16.250 -5.276 -6.660 531 HE2 LYS 72 2HE LYS 72 17.301 -6.005 -4.768 532 HE3 LYS 72 1HE LYS 72 18.915 -5.732 -5.454 533 HZ1 LYS 72 3HZ LYS 72 17.082 -3.539 -4.653 534 HZ2 LYS 72 1HZ LYS 72 18.715 -3.407 -5.094 535 HZ3 LYS 72 2HZ LYS 72 18.290 -4.161 -3.632 536 H ASP 73 H ASP 73 18.321 -8.151 -9.253 537 HA ASP 73 HA ASP 73 21.201 -8.452 -9.061 538 HB2 ASP 73 2HB ASP 73 19.444 -9.501 -7.598 539 HB3 ASP 73 1HB ASP 73 18.993 -10.531 -8.957 540 H ILE 74 H ILE 74 18.760 -10.144 -11.082 541 HA ILE 74 HA ILE 74 20.445 -11.700 -12.684 542 HB ILE 74 HB ILE 74 17.911 -10.177 -13.381 543 HG12 ILE 74 2HG1 ILE 74 18.081 -13.110 -12.774 544 HG13 ILE 74 1HG1 ILE 74 18.116 -11.965 -11.435 545 HG21 ILE 74 1HG2 ILE 74 17.713 -12.222 -15.006 546 HG22 ILE 74 2HG2 ILE 74 19.467 -12.304 -14.838 547 HG23 ILE 74 3HG2 ILE 74 18.710 -10.848 -15.483 548 HD11 ILE 74 3HD1 ILE 74 15.929 -12.451 -13.445 549 HD12 ILE 74 1HD1 ILE 74 16.045 -10.898 -12.617 550 HD13 ILE 74 2HD1 ILE 74 15.821 -12.380 -11.686 551 H ASP 75 H ASP 75 19.635 -8.254 -13.084 552 HA ASP 75 HA ASP 75 20.840 -7.783 -15.615 553 HB2 ASP 75 2HB ASP 75 20.366 -6.162 -13.114 554 HB3 ASP 75 1HB ASP 75 21.149 -5.438 -14.519 555 H ALA 76 H ALA 76 22.240 -7.850 -12.351 556 HA ALA 76 HA ALA 76 24.831 -6.856 -12.891 557 HB1 ALA 76 1HB ALA 76 24.268 -9.173 -11.046 558 HB2 ALA 76 2HB ALA 76 23.597 -7.576 -10.713 559 HB3 ALA 76 3HB ALA 76 25.345 -7.799 -10.790 560 H ALA 77 H ALA 77 23.387 -9.910 -13.801 561 HA ALA 77 HA ALA 77 26.019 -11.132 -14.425 562 HB1 ALA 77 1HB ALA 77 24.264 -12.454 -13.336 563 HB2 ALA 77 2HB ALA 77 24.555 -13.087 -14.956 564 HB3 ALA 77 3HB ALA 77 23.143 -12.079 -14.644 565 H ILE 78 H ILE 78 23.443 -9.390 -15.996 566 HA ILE 78 HA ILE 78 23.922 -10.427 -18.678 567 HB ILE 78 HB ILE 78 22.561 -7.901 -17.686 568 HG12 ILE 78 2HG1 ILE 78 21.345 -10.588 -18.400 569 HG13 ILE 78 1HG1 ILE 78 21.689 -10.082 -16.746 570 HG21 ILE 78 1HG2 ILE 78 22.799 -7.580 -19.985 571 HG22 ILE 78 2HG2 ILE 78 21.257 -8.431 -19.911 572 HG23 ILE 78 3HG2 ILE 78 22.729 -9.307 -20.334 573 HD11 ILE 78 3HD1 ILE 78 19.525 -9.322 -16.874 574 HD12 ILE 78 1HD1 ILE 78 19.590 -9.118 -18.624 575 HD13 ILE 78 2HD1 ILE 78 20.328 -7.914 -17.568 576 H ILE 79 H ILE 79 25.569 -8.171 -16.670 577 HA ILE 79 HA ILE 79 26.811 -6.832 -19.039 578 HB ILE 79 HB ILE 79 26.747 -6.133 -16.083 579 HG12 ILE 79 2HG1 ILE 79 25.300 -4.896 -18.451 580 HG13 ILE 79 1HG1 ILE 79 24.553 -5.971 -17.269 581 HG21 ILE 79 1HG2 ILE 79 27.596 -4.372 -18.391 582 HG22 ILE 79 2HG2 ILE 79 28.751 -5.343 -17.476 583 HG23 ILE 79 3HG2 ILE 79 27.819 -4.083 -16.666 584 HD11 ILE 79 3HD1 ILE 79 24.023 -3.848 -16.423 585 HD12 ILE 79 1HD1 ILE 79 25.584 -3.170 -16.881 586 HD13 ILE 79 2HD1 ILE 79 25.470 -4.271 -15.508 587 H GLN 80 H GLN 80 27.468 -8.790 -16.180 588 HA GLN 80 HA GLN 80 30.395 -8.766 -16.741 589 HB2 GLN 80 2HB GLN 80 28.567 -9.530 -14.483 590 HB3 GLN 80 1HB GLN 80 30.176 -10.250 -14.551 591 HG2 GLN 80 2HG GLN 80 31.012 -7.814 -14.900 592 HG3 GLN 80 1HG GLN 80 29.429 -7.345 -14.279 593 HE21 GLN 80 1HE2 GLN 80 32.421 -9.094 -13.426 594 HE22 GLN 80 2HE2 GLN 80 32.166 -9.046 -11.748 595 H ASN 81 H ASN 81 27.557 -10.853 -16.767 596 HA ASN 81 HA ASN 81 29.215 -13.118 -17.829 597 HB2 ASN 81 2HB ASN 81 26.881 -12.817 -16.026 598 HB3 ASN 81 1HB ASN 81 26.763 -14.152 -17.174 599 HD21 ASN 81 1HD2 ASN 81 29.004 -15.453 -17.314 600 HD22 ASN 81 2HD2 ASN 81 29.716 -15.808 -15.815 601 H PHE 82 H PHE 82 27.109 -10.683 -18.805 602 HA PHE 82 HA PHE 82 25.927 -10.261 -20.758 603 HB2 PHE 82 2HB PHE 82 26.942 -11.058 -22.640 604 HB3 PHE 82 1HB PHE 82 28.127 -11.646 -21.490 605 HD1 PHE 82 2HD PHE 82 24.891 -12.745 -23.081 606 HD2 PHE 82 1HD PHE 82 28.776 -13.882 -21.641 607 HE1 PHE 82 2HE PHE 82 24.520 -15.053 -23.902 608 HE2 PHE 82 1HE PHE 82 28.408 -16.186 -22.475 609 HZ PHE 82 HZ PHE 82 26.279 -16.773 -23.601 610 H ARG 83 H ARG 83 25.484 -13.255 -19.071 611 HA ARG 83 HA ARG 83 23.670 -14.740 -18.936 612 HB2 ARG 83 2HB ARG 83 22.601 -11.937 -19.177 613 HB3 ARG 83 1HB ARG 83 21.528 -13.299 -18.849 614 HG2 ARG 83 2HG ARG 83 24.016 -12.794 -17.216 615 HG3 ARG 83 1HG ARG 83 22.465 -12.061 -16.804 616 HD2 ARG 83 2HD ARG 83 22.946 -15.049 -17.111 617 HD3 ARG 83 1HD ARG 83 22.796 -14.188 -15.565 618 HE ARG 83 HE ARG 83 20.539 -13.400 -16.951 619 HH11 ARG 83 1HH2 ARG 83 21.949 -16.482 -16.146 620 HH12 ARG 83 2HH2 ARG 83 20.421 -17.291 -16.100 621 HH21 ARG 83 1HH1 ARG 83 18.571 -14.472 -16.882 622 HH22 ARG 83 2HH1 ARG 83 18.523 -16.164 -16.513 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 21.315 3.510 -24.745 2 H2 GLY 1 2HT GLY 1 21.245 1.872 -24.299 3 H3 GLY 1 3HT GLY 1 20.233 3.006 -23.540 4 HA2 GLY 1 2HA GLY 1 20.116 2.191 -26.394 5 HA3 GLY 1 1HA GLY 1 18.969 1.730 -25.135 6 H SER 2 H SER 2 17.165 2.960 -25.086 7 HA SER 2 HA SER 2 17.380 5.873 -25.727 8 HB2 SER 2 2HB SER 2 16.690 4.910 -27.786 9 HB3 SER 2 1HB SER 2 15.645 3.743 -26.983 10 HG SER 2 HG SER 2 14.241 5.256 -27.586 11 H HIS 3 H HIS 3 14.961 3.376 -24.825 12 HA HIS 3 HA HIS 3 14.023 5.219 -22.648 13 HB2 HIS 3 2HB HIS 3 12.650 3.595 -24.746 14 HB3 HIS 3 1HB HIS 3 11.849 3.740 -23.181 15 HD1 HIS 3 1HD HIS 3 10.204 5.602 -23.275 16 HD2 HIS 3 2HD HIS 3 13.666 6.521 -25.407 17 HE1 HIS 3 1HE HIS 3 9.905 7.962 -24.143 18 H MET 4 H MET 4 14.734 4.327 -20.742 19 HA MET 4 HA MET 4 15.182 2.718 -19.069 20 HB2 MET 4 2HB MET 4 12.754 1.764 -20.568 21 HB3 MET 4 1HB MET 4 13.413 0.780 -19.261 22 HG2 MET 4 2HG MET 4 13.128 2.552 -17.667 23 HG3 MET 4 1HG MET 4 12.763 3.719 -18.938 24 HE1 MET 4 3HE MET 4 10.486 4.203 -19.861 25 HE2 MET 4 1HE MET 4 9.323 2.913 -20.195 26 HE3 MET 4 2HE MET 4 10.957 2.822 -20.847 27 H ALA 5 H ALA 5 17.281 2.247 -20.209 28 HA ALA 5 HA ALA 5 17.566 -0.612 -20.720 29 HB1 ALA 5 1HB ALA 5 17.303 1.396 -22.897 30 HB2 ALA 5 2HB ALA 5 16.913 -0.325 -22.905 31 HB3 ALA 5 3HB ALA 5 18.585 0.201 -23.099 32 H THR 6 H THR 6 18.768 1.245 -18.889 33 HA THR 6 HA THR 6 21.536 1.625 -19.950 34 HB THR 6 HB THR 6 21.683 2.987 -17.778 35 HG1 THR 6 1HG THR 6 19.791 3.375 -16.733 36 HG21 THR 6 3HG2 THR 6 20.643 4.878 -18.779 37 HG22 THR 6 1HG2 THR 6 19.464 3.876 -19.624 38 HG23 THR 6 2HG2 THR 6 21.154 3.862 -20.127 39 HA PRO 7 HA PRO 7 23.019 -1.778 -17.579 40 HB2 PRO 7 2HB PRO 7 25.531 -0.851 -16.906 41 HB3 PRO 7 1HB PRO 7 25.113 -1.514 -18.495 42 HG2 PRO 7 2HG PRO 7 25.400 1.314 -17.641 43 HG3 PRO 7 1HG PRO 7 25.811 0.550 -19.184 44 HD2 PRO 7 2HD PRO 7 23.590 2.080 -18.813 45 HD3 PRO 7 1HD PRO 7 23.689 0.769 -20.008 46 H TRP 8 H TRP 8 23.786 -2.313 -15.345 47 HA TRP 8 HA TRP 8 23.155 -2.189 -13.055 48 HB2 TRP 8 2HB TRP 8 24.551 -0.096 -12.118 49 HB3 TRP 8 1HB TRP 8 25.324 -1.575 -12.667 50 HD1 TRP 8 HD TRP 8 24.409 1.935 -13.992 51 HE1 TRP 8 1HE TRP 8 26.146 2.594 -15.780 52 HE3 TRP 8 3HE TRP 8 27.141 -2.371 -14.192 53 HZ2 TRP 8 2HZ TRP 8 28.402 1.444 -17.113 54 HZ3 TRP 8 3HZ TRP 8 29.079 -2.562 -15.723 55 HH2 TRP 8 HH TRP 8 29.713 -0.661 -17.183 56 H SER 9 H SER 9 21.065 -0.971 -14.586 57 HA SER 9 HA SER 9 20.380 1.480 -13.030 58 HB2 SER 9 2HB SER 9 20.017 1.903 -15.285 59 HB3 SER 9 1HB SER 9 19.626 0.225 -15.641 60 HG SER 9 HG SER 9 17.915 2.075 -15.437 61 H GLY 10 H GLY 10 18.039 -0.820 -14.353 62 HA2 GLY 10 2HA GLY 10 16.379 -2.110 -13.328 63 HA3 GLY 10 1HA GLY 10 17.438 -2.202 -11.920 64 H TYR 11 H TYR 11 17.488 -0.184 -10.557 65 HA TYR 11 HA TYR 11 14.717 0.694 -10.049 66 HB2 TYR 11 2HB TYR 11 17.341 0.607 -8.648 67 HB3 TYR 11 1HB TYR 11 16.214 1.863 -8.132 68 HD1 TYR 11 2HD TYR 11 15.978 -1.741 -9.178 69 HD2 TYR 11 1HD TYR 11 14.884 1.275 -6.322 70 HE1 TYR 11 2HE TYR 11 14.685 -3.425 -7.895 71 HE2 TYR 11 1HE TYR 11 13.592 -0.408 -5.039 72 HH TYR 11 HH TYR 11 12.429 -2.655 -5.608 73 H LEU 12 H LEU 12 17.508 1.951 -11.653 74 HA LEU 12 HA LEU 12 17.299 4.740 -11.166 75 HB2 LEU 12 2HB LEU 12 18.326 2.926 -13.291 76 HB3 LEU 12 1HB LEU 12 18.125 4.619 -13.737 77 HG LEU 12 HG LEU 12 19.444 5.254 -11.702 78 HD11 LEU 12 1HD1 LEU 12 19.315 3.501 -10.185 79 HD12 LEU 12 2HD1 LEU 12 20.889 3.174 -10.912 80 HD13 LEU 12 3HD1 LEU 12 19.469 2.269 -11.437 81 HD21 LEU 12 3HD2 LEU 12 20.363 4.663 -14.121 82 HD22 LEU 12 1HD2 LEU 12 21.129 3.326 -13.263 83 HD23 LEU 12 2HD2 LEU 12 21.479 4.991 -12.795 84 H ASP 13 H ASP 13 15.311 2.610 -13.128 85 HA ASP 13 HA ASP 13 13.243 4.641 -13.428 86 HB2 ASP 13 2HB ASP 13 15.130 5.191 -15.094 87 HB3 ASP 13 1HB ASP 13 14.635 3.733 -15.955 88 H ASP 14 H ASP 14 14.586 1.571 -14.630 89 HA ASP 14 HA ASP 14 12.315 0.379 -15.772 90 HB2 ASP 14 2HB ASP 14 14.827 -0.454 -14.470 91 HB3 ASP 14 1HB ASP 14 13.573 -1.694 -14.519 92 H VAL 15 H VAL 15 13.371 -0.735 -12.629 93 HA VAL 15 HA VAL 15 10.946 -1.811 -11.750 94 HB VAL 15 HB VAL 15 13.147 -0.454 -10.178 95 HG11 VAL 15 1HG1 VAL 15 12.428 -2.307 -8.521 96 HG12 VAL 15 2HG1 VAL 15 10.939 -2.361 -9.465 97 HG13 VAL 15 3HG1 VAL 15 11.417 -0.868 -8.656 98 HG21 VAL 15 3HG2 VAL 15 13.229 -3.356 -10.364 99 HG22 VAL 15 1HG2 VAL 15 14.485 -2.179 -10.747 100 HG23 VAL 15 2HG2 VAL 15 13.286 -2.615 -11.963 101 H SER 16 H SER 16 12.144 1.503 -11.381 102 HA SER 16 HA SER 16 10.318 2.549 -9.542 103 HB2 SER 16 2HB SER 16 12.099 3.874 -10.279 104 HB3 SER 16 1HB SER 16 11.742 3.573 -11.977 105 HG SER 16 HG SER 16 10.093 5.037 -10.178 106 H ALA 17 H ALA 17 9.753 1.796 -12.968 107 HA ALA 17 HA ALA 17 7.190 3.184 -13.125 108 HB1 ALA 17 1HB ALA 17 7.947 0.886 -14.890 109 HB2 ALA 17 2HB ALA 17 8.964 2.326 -14.919 110 HB3 ALA 17 3HB ALA 17 7.253 2.447 -15.327 111 H LYS 18 H LYS 18 8.220 -0.142 -12.468 112 HA LYS 18 HA LYS 18 5.418 -1.092 -12.228 113 HB2 LYS 18 2HB LYS 18 7.167 -2.447 -13.330 114 HB3 LYS 18 1HB LYS 18 8.123 -2.425 -11.848 115 HG2 LYS 18 2HG LYS 18 6.976 -4.509 -11.813 116 HG3 LYS 18 1HG LYS 18 6.081 -3.472 -10.701 117 HD2 LYS 18 2HD LYS 18 4.367 -3.057 -12.319 118 HD3 LYS 18 1HD LYS 18 5.330 -3.763 -13.617 119 HE2 LYS 18 2HE LYS 18 3.975 -5.585 -13.143 120 HE3 LYS 18 1HE LYS 18 5.252 -5.886 -11.949 121 HZ1 LYS 18 3HZ LYS 18 4.030 -4.673 -10.307 122 HZ2 LYS 18 1HZ LYS 18 2.992 -5.841 -10.966 123 HZ3 LYS 18 2HZ LYS 18 2.849 -4.215 -11.439 124 H PHE 19 H PHE 19 8.075 -0.036 -10.253 125 HA PHE 19 HA PHE 19 6.868 -1.056 -7.747 126 HB2 PHE 19 2HB PHE 19 9.419 -0.858 -8.685 127 HB3 PHE 19 1HB PHE 19 9.304 0.646 -7.775 128 HD1 PHE 19 2HD PHE 19 8.049 0.335 -5.406 129 HD2 PHE 19 1HD PHE 19 10.176 -2.728 -7.536 130 HE1 PHE 19 2HE PHE 19 8.359 -0.920 -3.288 131 HE2 PHE 19 1HE PHE 19 10.489 -3.981 -5.418 132 HZ PHE 19 HZ PHE 19 9.580 -3.078 -3.294 133 H ASP 20 H ASP 20 8.214 2.096 -8.877 134 HA ASP 20 HA ASP 20 6.822 3.614 -6.842 135 HB2 ASP 20 2HB ASP 20 8.828 3.986 -8.793 136 HB3 ASP 20 1HB ASP 20 7.549 5.122 -9.220 137 H THR 21 H THR 21 6.396 4.008 -10.377 138 HA THR 21 HA THR 21 3.787 5.135 -10.212 139 HB THR 21 HB THR 21 4.804 3.443 -12.500 140 HG1 THR 21 1HG THR 21 5.980 5.354 -13.090 141 HG21 THR 21 3HG2 THR 21 3.642 5.027 -13.860 142 HG22 THR 21 1HG2 THR 21 3.450 6.146 -12.510 143 HG23 THR 21 2HG2 THR 21 2.548 4.631 -12.534 144 H GLY 22 H GLY 22 4.846 1.762 -10.620 145 HA2 GLY 22 2HA GLY 22 2.301 0.580 -11.059 146 HA3 GLY 22 1HA GLY 22 3.682 -0.254 -10.350 147 H VAL 23 H VAL 23 4.101 0.513 -7.956 148 HA VAL 23 HA VAL 23 1.833 -0.285 -6.405 149 HB VAL 23 HB VAL 23 4.329 1.226 -5.595 150 HG11 VAL 23 1HG1 VAL 23 3.939 0.437 -3.397 151 HG12 VAL 23 2HG1 VAL 23 2.726 -0.720 -3.945 152 HG13 VAL 23 3HG1 VAL 23 2.365 1.007 -3.951 153 HG21 VAL 23 3HG2 VAL 23 4.186 -1.691 -5.187 154 HG22 VAL 23 1HG2 VAL 23 5.516 -0.709 -5.798 155 HG23 VAL 23 2HG2 VAL 23 4.219 -1.210 -6.882 156 H ASP 24 H ASP 24 3.257 2.962 -6.963 157 HA ASP 24 HA ASP 24 1.551 4.477 -5.279 158 HB2 ASP 24 2HB ASP 24 3.565 5.278 -6.529 159 HB3 ASP 24 1HB ASP 24 2.637 5.188 -8.027 160 H ASN 25 H ASN 25 1.078 3.353 -8.621 161 HA ASN 25 HA ASN 25 -1.458 4.616 -9.087 162 HB2 ASN 25 2HB ASN 25 0.038 3.633 -10.816 163 HB3 ASN 25 1HB ASN 25 -0.281 2.026 -10.162 164 HD21 ASN 25 1HD2 ASN 25 -1.188 3.944 -12.678 165 HD22 ASN 25 2HD2 ASN 25 -2.786 3.415 -12.896 166 H LEU 26 H LEU 26 -0.558 1.374 -7.869 167 HA LEU 26 HA LEU 26 -3.225 0.380 -7.506 168 HB2 LEU 26 2HB LEU 26 -0.519 -0.397 -7.006 169 HB3 LEU 26 1HB LEU 26 -1.411 -0.611 -5.503 170 HG LEU 26 HG LEU 26 -2.294 -1.682 -8.187 171 HD11 LEU 26 1HD1 LEU 26 -0.578 -2.781 -6.035 172 HD12 LEU 26 2HD1 LEU 26 -0.596 -3.147 -7.758 173 HD13 LEU 26 3HD1 LEU 26 -1.798 -3.872 -6.692 174 HD21 LEU 26 3HD2 LEU 26 -3.496 -3.042 -6.017 175 HD22 LEU 26 1HD2 LEU 26 -4.280 -1.964 -7.171 176 HD23 LEU 26 2HD2 LEU 26 -3.636 -1.320 -5.662 177 H GLN 27 H GLN 27 -1.205 2.524 -5.578 178 HA GLN 27 HA GLN 27 -2.819 2.323 -3.154 179 HB2 GLN 27 2HB GLN 27 -0.293 3.097 -3.757 180 HB3 GLN 27 1HB GLN 27 -1.081 4.676 -3.696 181 HG2 GLN 27 2HG GLN 27 -1.931 4.199 -1.451 182 HG3 GLN 27 1HG GLN 27 -1.231 2.581 -1.508 183 HE21 GLN 27 1HE2 GLN 27 0.179 5.735 -2.531 184 HE22 GLN 27 2HE2 GLN 27 1.531 5.629 -1.512 185 H THR 28 H THR 28 -2.636 4.539 -5.937 186 HA THR 28 HA THR 28 -4.617 6.369 -4.762 187 HB THR 28 HB THR 28 -2.588 6.809 -6.391 188 HG1 THR 28 1HG THR 28 -3.754 8.618 -7.185 189 HG21 THR 28 3HG2 THR 28 -3.818 5.164 -8.085 190 HG22 THR 28 1HG2 THR 28 -2.928 6.569 -8.670 191 HG23 THR 28 2HG2 THR 28 -4.684 6.635 -8.520 192 H GLN 29 H GLN 29 -4.598 3.611 -6.939 193 HA GLN 29 HA GLN 29 -7.098 4.039 -8.247 194 HB2 GLN 29 2HB GLN 29 -5.089 2.034 -8.039 195 HB3 GLN 29 1HB GLN 29 -6.627 1.251 -7.696 196 HG2 GLN 29 2HG GLN 29 -5.927 2.877 -10.155 197 HG3 GLN 29 1HG GLN 29 -6.252 1.148 -10.087 198 HE21 GLN 29 1HE2 GLN 29 -8.563 1.574 -8.142 199 HE22 GLN 29 2HE2 GLN 29 -9.821 2.196 -9.093 200 H VAL 30 H VAL 30 -6.369 2.216 -5.222 201 HA VAL 30 HA VAL 30 -9.126 1.572 -4.704 202 HB VAL 30 HB VAL 30 -8.127 1.646 -2.198 203 HG11 VAL 30 1HG1 VAL 30 -8.633 -0.279 -4.160 204 HG12 VAL 30 2HG1 VAL 30 -8.344 -0.573 -2.446 205 HG13 VAL 30 3HG1 VAL 30 -7.005 -0.646 -3.590 206 HG21 VAL 30 3HG2 VAL 30 -5.650 0.945 -3.733 207 HG22 VAL 30 1HG2 VAL 30 -5.821 1.416 -2.043 208 HG23 VAL 30 2HG2 VAL 30 -5.958 2.630 -3.315 209 H THR 31 H THR 31 -7.138 4.411 -4.055 210 HA THR 31 HA THR 31 -8.923 5.784 -2.278 211 HB THR 31 HB THR 31 -7.295 7.098 -4.461 212 HG1 THR 31 1HG THR 31 -5.521 6.837 -2.950 213 HG21 THR 31 3HG2 THR 31 -6.757 8.541 -2.352 214 HG22 THR 31 1HG2 THR 31 -8.164 7.738 -1.656 215 HG23 THR 31 2HG2 THR 31 -8.337 8.709 -3.117 216 H GLU 32 H GLU 32 -8.622 5.689 -5.834 217 HA GLU 32 HA GLU 32 -10.912 7.324 -6.456 218 HB2 GLU 32 2HB GLU 32 -9.212 5.234 -7.785 219 HB3 GLU 32 1HB GLU 32 -10.748 5.640 -8.546 220 HG2 GLU 32 2HG GLU 32 -8.592 7.634 -7.804 221 HG3 GLU 32 1HG GLU 32 -8.886 7.014 -9.429 222 H ALA 33 H ALA 33 -10.388 3.825 -6.134 223 HA ALA 33 HA ALA 33 -13.028 2.869 -6.495 224 HB1 ALA 33 1HB ALA 33 -10.962 1.858 -4.508 225 HB2 ALA 33 2HB ALA 33 -10.805 1.612 -6.243 226 HB3 ALA 33 3HB ALA 33 -12.161 0.900 -5.370 227 H LEU 34 H LEU 34 -11.547 4.597 -3.831 228 HA LEU 34 HA LEU 34 -13.558 3.956 -1.820 229 HB2 LEU 34 2HB LEU 34 -11.067 4.832 -1.674 230 HB3 LEU 34 1HB LEU 34 -11.821 6.418 -1.836 231 HG LEU 34 HG LEU 34 -13.403 5.626 0.063 232 HD11 LEU 34 1HD1 LEU 34 -12.488 3.230 -0.180 233 HD12 LEU 34 2HD1 LEU 34 -12.641 3.863 1.460 234 HD13 LEU 34 3HD1 LEU 34 -11.062 3.818 0.675 235 HD21 LEU 34 3HD2 LEU 34 -10.515 5.967 0.879 236 HD22 LEU 34 1HD2 LEU 34 -11.960 6.591 1.674 237 HD23 LEU 34 2HD2 LEU 34 -11.422 7.291 0.148 238 H ASP 35 H ASP 35 -12.780 6.951 -3.630 239 HA ASP 35 HA ASP 35 -15.163 8.382 -2.953 240 HB2 ASP 35 2HB ASP 35 -12.998 8.479 -5.006 241 HB3 ASP 35 1HB ASP 35 -14.461 9.403 -5.356 242 H LYS 36 H LYS 36 -14.461 5.926 -5.362 243 HA LYS 36 HA LYS 36 -16.952 6.290 -6.861 244 HB2 LYS 36 2HB LYS 36 -14.449 5.142 -7.259 245 HB3 LYS 36 1HB LYS 36 -15.501 3.745 -7.094 246 HG2 LYS 36 2HG LYS 36 -16.293 4.067 -9.177 247 HG3 LYS 36 1HG LYS 36 -16.808 5.700 -8.753 248 HD2 LYS 36 2HD LYS 36 -15.213 5.763 -10.629 249 HD3 LYS 36 1HD LYS 36 -14.517 6.532 -9.203 250 HE2 LYS 36 2HE LYS 36 -12.862 4.977 -9.046 251 HE3 LYS 36 1HE LYS 36 -13.984 3.635 -9.346 252 HZ1 LYS 36 3HZ LYS 36 -14.070 4.334 -11.691 253 HZ2 LYS 36 1HZ LYS 36 -12.512 3.855 -11.221 254 HZ3 LYS 36 2HZ LYS 36 -12.882 5.506 -11.376 255 H LEU 37 H LEU 37 -15.647 4.127 -4.355 256 HA LEU 37 HA LEU 37 -17.776 2.236 -4.240 257 HB2 LEU 37 2HB LEU 37 -15.833 1.693 -3.034 258 HB3 LEU 37 1HB LEU 37 -15.684 3.313 -2.361 259 HG LEU 37 HG LEU 37 -17.588 2.911 -0.875 260 HD11 LEU 37 1HD1 LEU 37 -18.857 1.420 -2.398 261 HD12 LEU 37 2HD1 LEU 37 -18.684 0.716 -0.790 262 HD13 LEU 37 3HD1 LEU 37 -17.672 0.144 -2.117 263 HD21 LEU 37 3HD2 LEU 37 -16.482 1.513 0.641 264 HD22 LEU 37 1HD2 LEU 37 -15.167 2.027 -0.415 265 HD23 LEU 37 2HD2 LEU 37 -15.898 0.436 -0.627 266 H ALA 38 H ALA 38 -17.227 5.014 -2.058 267 HA ALA 38 HA ALA 38 -19.827 5.006 -0.880 268 HB1 ALA 38 1HB ALA 38 -19.075 7.524 -0.550 269 HB2 ALA 38 2HB ALA 38 -17.562 6.940 -1.244 270 HB3 ALA 38 3HB ALA 38 -18.185 6.223 0.243 271 H ALA 39 H ALA 39 -18.697 6.105 -3.986 272 HA ALA 39 HA ALA 39 -20.601 8.088 -4.703 273 HB1 ALA 39 1HB ALA 39 -19.906 6.034 -6.729 274 HB2 ALA 39 2HB ALA 39 -18.526 6.713 -5.871 275 HB3 ALA 39 3HB ALA 39 -19.616 7.774 -6.760 276 H LYS 40 H LYS 40 -20.707 4.636 -5.549 277 HA LYS 40 HA LYS 40 -23.617 4.724 -5.998 278 HB2 LYS 40 2HB LYS 40 -21.282 3.092 -6.658 279 HB3 LYS 40 1HB LYS 40 -22.626 2.087 -6.119 280 HG2 LYS 40 2HG LYS 40 -22.756 2.408 -8.538 281 HG3 LYS 40 1HG LYS 40 -24.104 3.237 -7.759 282 HD2 LYS 40 2HD LYS 40 -22.742 5.354 -7.814 283 HD3 LYS 40 1HD LYS 40 -21.538 4.490 -8.772 284 HE2 LYS 40 2HE LYS 40 -23.133 4.103 -10.558 285 HE3 LYS 40 1HE LYS 40 -24.456 4.761 -9.574 286 HZ1 LYS 40 3HZ LYS 40 -21.997 6.266 -10.291 287 HZ2 LYS 40 1HZ LYS 40 -23.358 6.872 -9.483 288 HZ3 LYS 40 2HZ LYS 40 -23.475 6.414 -11.114 289 HA PRO 41 HA PRO 41 -24.678 3.498 -1.869 290 HB2 PRO 41 2HB PRO 41 -26.816 1.799 -2.498 291 HB3 PRO 41 1HB PRO 41 -26.933 3.553 -2.269 292 HG2 PRO 41 2HG PRO 41 -26.827 1.977 -4.772 293 HG3 PRO 41 1HG PRO 41 -27.654 3.503 -4.428 294 HD2 PRO 41 2HD PRO 41 -25.375 3.362 -5.885 295 HD3 PRO 41 1HD PRO 41 -25.793 4.768 -4.881 296 H SER 42 H SER 42 -25.637 0.975 -1.058 297 HA SER 42 HA SER 42 -23.332 -0.655 -0.916 298 HB2 SER 42 2HB SER 42 -26.260 -0.923 -0.490 299 HB3 SER 42 1HB SER 42 -25.382 -2.439 -0.680 300 HG SER 42 HG SER 42 -25.516 -1.557 1.512 301 H ASP 43 H ASP 43 -22.383 -0.857 -3.032 302 HA ASP 43 HA ASP 43 -23.990 -2.396 -5.031 303 HB2 ASP 43 2HB ASP 43 -21.893 -0.265 -5.125 304 HB3 ASP 43 1HB ASP 43 -22.002 -1.387 -6.481 305 HA PRO 44 HA PRO 44 -21.108 -5.732 -4.722 306 HB2 PRO 44 2HB PRO 44 -21.401 -6.785 -7.238 307 HB3 PRO 44 1HB PRO 44 -22.629 -6.962 -5.972 308 HG2 PRO 44 2HG PRO 44 -22.582 -5.196 -8.332 309 HG3 PRO 44 1HG PRO 44 -23.956 -5.945 -7.508 310 HD2 PRO 44 2HD PRO 44 -23.185 -3.296 -7.267 311 HD3 PRO 44 1HD PRO 44 -24.231 -4.173 -6.131 312 H ALA 45 H ALA 45 -21.055 -3.914 -7.734 313 HA ALA 45 HA ALA 45 -18.424 -4.746 -8.562 314 HB1 ALA 45 1HB ALA 45 -20.390 -4.026 -9.922 315 HB2 ALA 45 2HB ALA 45 -18.898 -3.186 -10.343 316 HB3 ALA 45 3HB ALA 45 -20.120 -2.379 -9.359 317 H LEU 46 H LEU 46 -19.581 -1.516 -7.444 318 HA LEU 46 HA LEU 46 -17.126 -0.170 -7.362 319 HB2 LEU 46 2HB LEU 46 -19.765 -0.032 -6.076 320 HB3 LEU 46 1HB LEU 46 -18.495 0.687 -5.097 321 HG LEU 46 HG LEU 46 -19.432 2.416 -6.505 322 HD11 LEU 46 1HD1 LEU 46 -16.867 1.650 -7.895 323 HD12 LEU 46 2HD1 LEU 46 -16.882 2.230 -6.229 324 HD13 LEU 46 3HD1 LEU 46 -17.480 3.260 -7.529 325 HD21 LEU 46 3HD2 LEU 46 -20.277 0.706 -8.220 326 HD22 LEU 46 1HD2 LEU 46 -18.672 0.811 -8.942 327 HD23 LEU 46 2HD2 LEU 46 -19.693 2.245 -8.852 328 H LEU 47 H LEU 47 -18.624 -1.828 -4.568 329 HA LEU 47 HA LEU 47 -16.429 -1.693 -2.776 330 HB2 LEU 47 2HB LEU 47 -18.975 -2.553 -2.703 331 HB3 LEU 47 1HB LEU 47 -18.174 -4.115 -2.864 332 HG LEU 47 HG LEU 47 -16.616 -3.067 -0.953 333 HD11 LEU 47 1HD1 LEU 47 -17.505 -1.028 -0.402 334 HD12 LEU 47 2HD1 LEU 47 -18.593 -2.011 0.577 335 HD13 LEU 47 3HD1 LEU 47 -19.106 -1.447 -1.013 336 HD21 LEU 47 3HD2 LEU 47 -18.011 -5.180 -0.930 337 HD22 LEU 47 1HD2 LEU 47 -19.363 -4.205 -0.352 338 HD23 LEU 47 2HD2 LEU 47 -17.906 -4.364 0.630 339 H ALA 48 H ALA 48 -17.368 -4.342 -4.991 340 HA ALA 48 HA ALA 48 -15.192 -6.110 -4.535 341 HB1 ALA 48 1HB ALA 48 -17.130 -6.738 -5.831 342 HB2 ALA 48 2HB ALA 48 -15.742 -6.801 -6.919 343 HB3 ALA 48 3HB ALA 48 -16.848 -5.428 -6.977 344 H ALA 49 H ALA 49 -15.458 -3.189 -6.451 345 HA ALA 49 HA ALA 49 -13.073 -3.499 -8.017 346 HB1 ALA 49 1HB ALA 49 -15.147 -1.945 -8.202 347 HB2 ALA 49 2HB ALA 49 -13.578 -1.294 -8.671 348 HB3 ALA 49 3HB ALA 49 -14.265 -0.893 -7.098 349 H TYR 50 H TYR 50 -13.651 -1.347 -5.157 350 HA TYR 50 HA TYR 50 -10.939 -0.639 -4.721 351 HB2 TYR 50 2HB TYR 50 -12.981 0.321 -3.641 352 HB3 TYR 50 1HB TYR 50 -13.114 -1.138 -2.666 353 HD1 TYR 50 1HD TYR 50 -10.899 -1.800 -1.336 354 HD2 TYR 50 2HD TYR 50 -11.820 2.131 -2.788 355 HE1 TYR 50 1HE TYR 50 -9.319 -0.823 0.293 356 HE2 TYR 50 2HE TYR 50 -10.239 3.109 -1.165 357 HH TYR 50 HH TYR 50 -7.933 1.348 0.445 358 H GLN 51 H GLN 51 -12.754 -3.515 -3.646 359 HA GLN 51 HA GLN 51 -10.652 -4.580 -1.962 360 HB2 GLN 51 2HB GLN 51 -13.018 -5.802 -3.419 361 HB3 GLN 51 1HB GLN 51 -12.041 -6.670 -2.233 362 HG2 GLN 51 2HG GLN 51 -12.583 -4.917 -0.549 363 HG3 GLN 51 1HG GLN 51 -13.633 -4.139 -1.734 364 HE21 GLN 51 1HE2 GLN 51 -15.451 -5.589 -2.622 365 HE22 GLN 51 2HE2 GLN 51 -16.136 -6.727 -1.565 366 H SER 52 H SER 52 -11.708 -5.266 -5.314 367 HA SER 52 HA SER 52 -9.871 -7.228 -6.088 368 HB2 SER 52 2HB SER 52 -11.763 -6.240 -7.415 369 HB3 SER 52 1HB SER 52 -10.790 -4.794 -7.666 370 HG SER 52 HG SER 52 -10.533 -7.358 -8.734 371 H LYS 53 H LYS 53 -9.444 -3.703 -5.993 372 HA LYS 53 HA LYS 53 -6.686 -3.756 -6.933 373 HB2 LYS 53 2HB LYS 53 -8.769 -1.879 -6.356 374 HB3 LYS 53 1HB LYS 53 -7.375 -1.422 -5.380 375 HG2 LYS 53 2HG LYS 53 -6.357 -0.572 -7.190 376 HG3 LYS 53 1HG LYS 53 -6.436 -2.138 -7.992 377 HD2 LYS 53 2HD LYS 53 -8.967 -0.574 -7.891 378 HD3 LYS 53 1HD LYS 53 -7.697 0.038 -8.952 379 HE2 LYS 53 2HE LYS 53 -7.693 -1.895 -10.288 380 HE3 LYS 53 1HE LYS 53 -8.446 -2.884 -9.020 381 HZ1 LYS 53 3HZ LYS 53 -9.760 -0.557 -10.322 382 HZ2 LYS 53 1HZ LYS 53 -10.464 -1.642 -9.226 383 HZ3 LYS 53 2HZ LYS 53 -10.026 -2.172 -10.779 384 H LEU 54 H LEU 54 -8.350 -3.857 -3.838 385 HA LEU 54 HA LEU 54 -6.139 -3.330 -2.098 386 HB2 LEU 54 2HB LEU 54 -8.732 -3.530 -1.750 387 HB3 LEU 54 1HB LEU 54 -8.391 -5.238 -1.484 388 HG LEU 54 HG LEU 54 -6.581 -4.404 0.171 389 HD11 LEU 54 1HD1 LEU 54 -7.948 -1.914 -0.631 390 HD12 LEU 54 2HD1 LEU 54 -6.359 -2.141 0.097 391 HD13 LEU 54 3HD1 LEU 54 -7.799 -2.127 1.113 392 HD21 LEU 54 3HD2 LEU 54 -8.604 -5.553 0.897 393 HD22 LEU 54 1HD2 LEU 54 -9.554 -4.079 0.697 394 HD23 LEU 54 2HD2 LEU 54 -8.328 -4.173 1.961 395 H SER 55 H SER 55 -7.662 -6.517 -2.700 396 HA SER 55 HA SER 55 -5.699 -8.180 -1.618 397 HB2 SER 55 2HB SER 55 -8.042 -8.524 -2.868 398 HB3 SER 55 1HB SER 55 -6.981 -8.957 -4.205 399 HG SER 55 HG SER 55 -7.453 -10.775 -2.940 400 H GLU 56 H GLU 56 -5.702 -6.602 -4.787 401 HA GLU 56 HA GLU 56 -3.329 -8.009 -5.766 402 HB2 GLU 56 2HB GLU 56 -5.246 -6.957 -7.102 403 HB3 GLU 56 1HB GLU 56 -4.535 -5.391 -6.708 404 HG2 GLU 56 2HG GLU 56 -3.488 -5.826 -8.731 405 HG3 GLU 56 1HG GLU 56 -2.323 -6.529 -7.609 406 H TYR 57 H TYR 57 -4.054 -4.966 -4.134 407 HA TYR 57 HA TYR 57 -1.432 -3.783 -4.484 408 HB2 TYR 57 2HB TYR 57 -3.525 -2.531 -4.083 409 HB3 TYR 57 1HB TYR 57 -3.660 -3.270 -2.492 410 HD1 TYR 57 2HD TYR 57 -0.581 -2.012 -4.230 411 HD2 TYR 57 1HD TYR 57 -3.384 -1.496 -1.025 412 HE1 TYR 57 2HE TYR 57 0.888 -0.288 -3.218 413 HE2 TYR 57 1HE TYR 57 -1.919 0.227 -0.006 414 HH TYR 57 HH TYR 57 0.583 0.787 -0.083 415 H ASN 58 H ASN 58 -3.046 -5.199 -1.595 416 HA ASN 58 HA ASN 58 -0.873 -5.095 0.189 417 HB2 ASN 58 2HB ASN 58 -3.166 -7.032 -0.220 418 HB3 ASN 58 1HB ASN 58 -2.055 -7.201 1.139 419 HD21 ASN 58 1HD2 ASN 58 -5.040 -6.123 0.684 420 HD22 ASN 58 2HD2 ASN 58 -5.061 -4.743 1.671 421 H LEU 59 H LEU 59 -1.684 -7.582 -2.233 422 HA LEU 59 HA LEU 59 0.573 -9.314 -1.651 423 HB2 LEU 59 2HB LEU 59 -1.681 -9.736 -2.907 424 HB3 LEU 59 1HB LEU 59 -0.864 -9.032 -4.301 425 HG LEU 59 HG LEU 59 -0.684 -11.503 -4.287 426 HD11 LEU 59 1HD1 LEU 59 1.233 -9.778 -4.963 427 HD12 LEU 59 2HD1 LEU 59 1.508 -11.520 -5.010 428 HD13 LEU 59 3HD1 LEU 59 2.081 -10.573 -3.636 429 HD21 LEU 59 3HD2 LEU 59 1.091 -11.259 -1.862 430 HD22 LEU 59 1HD2 LEU 59 0.347 -12.705 -2.542 431 HD23 LEU 59 2HD2 LEU 59 -0.643 -11.523 -1.685 432 H TYR 60 H TYR 60 -0.068 -6.577 -3.779 433 HA TYR 60 HA TYR 60 2.128 -6.548 -5.525 434 HB2 TYR 60 2HB TYR 60 0.081 -4.876 -4.731 435 HB3 TYR 60 1HB TYR 60 1.498 -3.981 -4.209 436 HD1 TYR 60 2HD TYR 60 0.455 -6.034 -7.180 437 HD2 TYR 60 1HD TYR 60 2.326 -2.460 -5.716 438 HE1 TYR 60 2HE TYR 60 0.791 -5.253 -9.506 439 HE2 TYR 60 1HE TYR 60 2.657 -1.677 -8.036 440 HH TYR 60 HH TYR 60 1.081 -2.945 -10.651 441 H ARG 61 H ARG 61 1.963 -4.996 -2.299 442 HA ARG 61 HA ARG 61 4.527 -4.010 -1.984 443 HB2 ARG 61 2HB ARG 61 2.308 -4.585 -0.400 444 HB3 ARG 61 1HB ARG 61 3.607 -5.492 0.372 445 HG2 ARG 61 2HG ARG 61 4.054 -3.500 1.389 446 HG3 ARG 61 1HG ARG 61 4.876 -3.132 -0.127 447 HD2 ARG 61 2HD ARG 61 3.477 -1.306 -0.122 448 HD3 ARG 61 1HD ARG 61 2.299 -2.465 -0.770 449 HE ARG 61 HE ARG 61 1.200 -2.415 1.314 450 HH11 ARG 61 1HH2 ARG 61 4.479 -1.288 1.644 451 HH12 ARG 61 2HH2 ARG 61 4.284 -0.871 3.311 452 HH21 ARG 61 1HH1 ARG 61 0.973 -1.866 3.478 453 HH22 ARG 61 2HH1 ARG 61 2.316 -1.195 4.343 454 H ASN 62 H ASN 62 3.564 -7.418 -1.458 455 HA ASN 62 HA ASN 62 6.277 -8.246 -0.738 456 HB2 ASN 62 2HB ASN 62 3.741 -9.746 -1.475 457 HB3 ASN 62 1HB ASN 62 5.188 -10.497 -0.801 458 HD21 ASN 62 1HD2 ASN 62 2.254 -8.912 0.022 459 HD22 ASN 62 2HD2 ASN 62 2.576 -8.683 1.673 460 H ALA 63 H ALA 63 4.120 -8.947 -3.524 461 HA ALA 63 HA ALA 63 5.898 -10.376 -5.151 462 HB1 ALA 63 1HB ALA 63 4.189 -8.367 -6.499 463 HB2 ALA 63 2HB ALA 63 3.360 -9.377 -5.314 464 HB3 ALA 63 3HB ALA 63 4.207 -10.123 -6.669 465 H GLN 64 H GLN 64 5.219 -6.889 -5.657 466 HA GLN 64 HA GLN 64 7.310 -6.299 -7.422 467 HB2 GLN 64 2HB GLN 64 5.529 -4.899 -5.567 468 HB3 GLN 64 1HB GLN 64 7.058 -4.047 -5.793 469 HG2 GLN 64 2HG GLN 64 5.268 -5.022 -8.043 470 HG3 GLN 64 1HG GLN 64 5.347 -3.357 -7.464 471 HE21 GLN 64 1HE2 GLN 64 6.893 -5.706 -9.509 472 HE22 GLN 64 2HE2 GLN 64 8.200 -4.736 -9.988 473 H SER 65 H SER 65 7.465 -6.650 -3.908 474 HA SER 65 HA SER 65 10.173 -5.586 -3.653 475 HB2 SER 65 2HB SER 65 8.169 -7.037 -1.946 476 HB3 SER 65 1HB SER 65 9.827 -6.876 -1.377 477 HG SER 65 HG SER 65 8.502 -5.127 -0.714 478 H ASN 66 H ASN 66 8.714 -8.747 -4.179 479 HA ASN 66 HA ASN 66 11.254 -10.190 -3.755 480 HB2 ASN 66 2HB ASN 66 8.649 -10.805 -3.396 481 HB3 ASN 66 1HB ASN 66 8.871 -11.448 -5.024 482 HD21 ASN 66 1HD2 ASN 66 9.343 -13.643 -4.888 483 HD22 ASN 66 2HD2 ASN 66 10.371 -14.351 -3.736 484 H THR 67 H THR 67 9.404 -8.845 -6.411 485 HA THR 67 HA THR 67 10.893 -10.365 -8.461 486 HB THR 67 HB THR 67 9.411 -9.004 -9.966 487 HG1 THR 67 1HG THR 67 8.528 -7.295 -9.169 488 HG21 THR 67 3HG2 THR 67 8.574 -11.127 -9.176 489 HG22 THR 67 1HG2 THR 67 7.256 -9.959 -9.076 490 HG23 THR 67 2HG2 THR 67 8.133 -10.428 -7.618 491 H ALA 68 H ALA 68 10.608 -6.985 -7.327 492 HA ALA 68 HA ALA 68 12.373 -5.766 -9.195 493 HB1 ALA 68 1HB ALA 68 10.852 -4.617 -7.602 494 HB2 ALA 68 2HB ALA 68 12.501 -4.005 -7.473 495 HB3 ALA 68 3HB ALA 68 11.882 -5.131 -6.266 496 H LYS 69 H LYS 69 13.066 -7.258 -6.022 497 HA LYS 69 HA LYS 69 15.818 -6.659 -5.802 498 HB2 LYS 69 2HB LYS 69 14.038 -8.933 -4.939 499 HB3 LYS 69 1HB LYS 69 15.759 -8.957 -4.554 500 HG2 LYS 69 2HG LYS 69 15.517 -6.703 -3.506 501 HG3 LYS 69 1HG LYS 69 13.779 -6.790 -3.799 502 HD2 LYS 69 2HD LYS 69 13.475 -8.533 -2.262 503 HD3 LYS 69 1HD LYS 69 15.172 -9.012 -2.324 504 HE2 LYS 69 2HE LYS 69 15.243 -7.862 -0.323 505 HE3 LYS 69 1HE LYS 69 15.439 -6.466 -1.402 506 HZ1 LYS 69 3HZ LYS 69 12.971 -6.353 -1.509 507 HZ2 LYS 69 1HZ LYS 69 13.602 -6.013 0.028 508 HZ3 LYS 69 2HZ LYS 69 12.900 -7.529 -0.284 509 H ALA 70 H ALA 70 14.272 -9.463 -7.403 510 HA ALA 70 HA ALA 70 16.793 -10.583 -8.337 511 HB1 ALA 70 1HB ALA 70 13.853 -11.015 -8.887 512 HB2 ALA 70 2HB ALA 70 14.962 -12.061 -8.000 513 HB3 ALA 70 3HB ALA 70 15.092 -11.924 -9.754 514 H PHE 71 H PHE 71 14.373 -8.370 -9.628 515 HA PHE 71 HA PHE 71 15.092 -8.422 -12.387 516 HB2 PHE 71 2HB PHE 71 13.293 -7.120 -10.728 517 HB3 PHE 71 1HB PHE 71 14.333 -5.805 -11.271 518 HD1 PHE 71 2HD PHE 71 14.958 -5.953 -13.886 519 HD2 PHE 71 1HD PHE 71 11.462 -7.651 -12.057 520 HE1 PHE 71 2HE PHE 71 13.808 -5.950 -16.083 521 HE2 PHE 71 1HE PHE 71 10.312 -7.648 -14.255 522 HZ PHE 71 HZ PHE 71 11.485 -6.797 -16.268 523 H LYS 72 H LYS 72 16.076 -6.016 -9.909 524 HA LYS 72 HA LYS 72 18.063 -4.740 -11.526 525 HB2 LYS 72 2HB LYS 72 18.783 -3.804 -9.345 526 HB3 LYS 72 1HB LYS 72 17.026 -3.794 -9.494 527 HG2 LYS 72 2HG LYS 72 17.285 -6.196 -8.355 528 HG3 LYS 72 1HG LYS 72 18.772 -5.473 -7.744 529 HD2 LYS 72 2HD LYS 72 17.078 -3.437 -7.257 530 HD3 LYS 72 1HD LYS 72 15.944 -4.782 -7.137 531 HE2 LYS 72 2HE LYS 72 16.726 -4.756 -4.949 532 HE3 LYS 72 1HE LYS 72 17.954 -5.816 -5.671 533 HZ1 LYS 72 3HZ LYS 72 19.246 -3.794 -6.207 534 HZ2 LYS 72 1HZ LYS 72 19.068 -4.038 -4.539 535 HZ3 LYS 72 2HZ LYS 72 18.123 -2.868 -5.331 536 H ASP 73 H ASP 73 18.159 -7.652 -9.565 537 HA ASP 73 HA ASP 73 21.033 -7.863 -9.336 538 HB2 ASP 73 2HB ASP 73 19.101 -8.999 -8.032 539 HB3 ASP 73 1HB ASP 73 19.060 -10.148 -9.370 540 H ILE 74 H ILE 74 18.673 -9.431 -11.536 541 HA ILE 74 HA ILE 74 20.372 -11.035 -13.071 542 HB ILE 74 HB ILE 74 18.009 -9.322 -13.913 543 HG12 ILE 74 2HG1 ILE 74 17.841 -12.260 -13.419 544 HG13 ILE 74 1HG1 ILE 74 18.001 -11.218 -12.006 545 HG21 ILE 74 1HG2 ILE 74 18.839 -10.012 -15.972 546 HG22 ILE 74 2HG2 ILE 74 17.825 -11.395 -15.558 547 HG23 ILE 74 3HG2 ILE 74 19.569 -11.473 -15.304 548 HD11 ILE 74 3HD1 ILE 74 15.718 -11.112 -12.204 549 HD12 ILE 74 1HD1 ILE 74 15.750 -11.465 -13.932 550 HD13 ILE 74 2HD1 ILE 74 16.115 -9.838 -13.358 551 H ASP 75 H ASP 75 19.807 -7.534 -13.411 552 HA ASP 75 HA ASP 75 21.222 -7.059 -15.827 553 HB2 ASP 75 2HB ASP 75 20.669 -5.500 -13.305 554 HB3 ASP 75 1HB ASP 75 21.608 -4.780 -14.612 555 H ALA 76 H ALA 76 22.381 -7.326 -12.480 556 HA ALA 76 HA ALA 76 25.054 -6.481 -12.783 557 HB1 ALA 76 1HB ALA 76 24.312 -8.865 -11.114 558 HB2 ALA 76 2HB ALA 76 23.575 -7.302 -10.763 559 HB3 ALA 76 3HB ALA 76 25.328 -7.487 -10.693 560 H ALA 77 H ALA 77 23.521 -9.403 -13.956 561 HA ALA 77 HA ALA 77 26.138 -10.708 -14.485 562 HB1 ALA 77 1HB ALA 77 23.229 -11.514 -14.761 563 HB2 ALA 77 2HB ALA 77 24.379 -12.071 -13.544 564 HB3 ALA 77 3HB ALA 77 24.570 -12.560 -15.228 565 H ILE 78 H ILE 78 23.701 -8.817 -16.103 566 HA ILE 78 HA ILE 78 24.219 -9.784 -18.796 567 HB ILE 78 HB ILE 78 23.002 -7.208 -17.748 568 HG12 ILE 78 2HG1 ILE 78 21.663 -9.786 -18.630 569 HG13 ILE 78 1HG1 ILE 78 21.925 -9.336 -16.945 570 HG21 ILE 78 1HG2 ILE 78 23.302 -8.429 -20.453 571 HG22 ILE 78 2HG2 ILE 78 23.260 -6.729 -19.986 572 HG23 ILE 78 3HG2 ILE 78 21.761 -7.655 -20.083 573 HD11 ILE 78 3HD1 ILE 78 19.814 -8.458 -17.205 574 HD12 ILE 78 1HD1 ILE 78 20.020 -8.202 -18.938 575 HD13 ILE 78 2HD1 ILE 78 20.745 -7.077 -17.788 576 H ILE 79 H ILE 79 26.081 -7.885 -16.683 577 HA ILE 79 HA ILE 79 27.426 -6.480 -18.961 578 HB ILE 79 HB ILE 79 27.408 -5.937 -15.972 579 HG12 ILE 79 2HG1 ILE 79 26.062 -4.420 -18.233 580 HG13 ILE 79 1HG1 ILE 79 25.228 -5.568 -17.187 581 HG21 ILE 79 1HG2 ILE 79 28.911 -4.812 -18.269 582 HG22 ILE 79 2HG2 ILE 79 29.328 -4.840 -16.556 583 HG23 ILE 79 3HG2 ILE 79 28.203 -3.628 -17.170 584 HD11 ILE 79 3HD1 ILE 79 26.647 -3.823 -15.464 585 HD12 ILE 79 1HD1 ILE 79 24.902 -3.908 -15.703 586 HD13 ILE 79 2HD1 ILE 79 25.872 -2.801 -16.675 587 H GLN 80 H GLN 80 28.010 -8.360 -15.985 588 HA GLN 80 HA GLN 80 30.884 -8.653 -16.605 589 HB2 GLN 80 2HB GLN 80 28.969 -9.391 -14.410 590 HB3 GLN 80 1HB GLN 80 30.525 -10.215 -14.494 591 HG2 GLN 80 2HG GLN 80 31.567 -7.870 -14.670 592 HG3 GLN 80 1HG GLN 80 29.996 -7.263 -14.149 593 HE21 GLN 80 1HE2 GLN 80 32.969 -8.562 -13.025 594 HE22 GLN 80 2HE2 GLN 80 32.505 -8.828 -11.413 595 H ASN 81 H ASN 81 27.892 -10.503 -16.783 596 HA ASN 81 HA ASN 81 29.387 -12.843 -17.920 597 HB2 ASN 81 2HB ASN 81 27.007 -12.434 -16.187 598 HB3 ASN 81 1HB ASN 81 26.870 -13.731 -17.374 599 HD21 ASN 81 1HD2 ASN 81 28.267 -12.860 -14.330 600 HD22 ASN 81 2HD2 ASN 81 29.215 -14.253 -14.121 601 H PHE 82 H PHE 82 27.493 -10.202 -18.813 602 HA PHE 82 HA PHE 82 26.387 -9.596 -20.760 603 HB2 PHE 82 2HB PHE 82 27.404 -10.347 -22.662 604 HB3 PHE 82 1HB PHE 82 28.520 -11.065 -21.516 605 HD1 PHE 82 2HD PHE 82 25.277 -11.883 -23.256 606 HD2 PHE 82 1HD PHE 82 29.042 -13.325 -21.768 607 HE1 PHE 82 2HE PHE 82 24.801 -14.118 -24.215 608 HE2 PHE 82 1HE PHE 82 28.568 -15.555 -22.740 609 HZ PHE 82 HZ PHE 82 26.446 -15.954 -23.958 610 H ARG 83 H ARG 83 25.702 -12.650 -19.269 611 HA ARG 83 HA ARG 83 23.797 -14.020 -19.279 612 HB2 ARG 83 2HB ARG 83 22.905 -11.150 -19.393 613 HB3 ARG 83 1HB ARG 83 21.745 -12.460 -19.174 614 HG2 ARG 83 2HG ARG 83 24.199 -12.193 -17.439 615 HG3 ARG 83 1HG ARG 83 22.680 -11.394 -17.034 616 HD2 ARG 83 2HD ARG 83 23.004 -14.384 -17.492 617 HD3 ARG 83 1HD ARG 83 22.844 -13.600 -15.909 618 HE ARG 83 HE ARG 83 20.688 -12.610 -17.320 619 HH11 ARG 83 1HH2 ARG 83 21.894 -15.808 -16.647 620 HH12 ARG 83 2HH2 ARG 83 20.323 -16.529 -16.698 621 HH21 ARG 83 1HH1 ARG 83 18.662 -13.571 -17.380 622 HH22 ARG 83 2HH1 ARG 83 18.506 -15.275 -17.109 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 20.522 -3.502 -27.574 2 H2 GLY 1 2HT GLY 1 21.273 -4.654 -28.571 3 H3 GLY 1 3HT GLY 1 20.950 -3.094 -29.163 4 HA2 GLY 1 2HA GLY 1 22.952 -3.899 -27.136 5 HA3 GLY 1 1HA GLY 1 23.237 -3.110 -28.688 6 H SER 2 H SER 2 21.771 -0.983 -28.862 7 HA SER 2 HA SER 2 21.998 0.508 -26.268 8 HB2 SER 2 2HB SER 2 23.225 0.914 -28.926 9 HB3 SER 2 1HB SER 2 22.530 2.366 -28.212 10 HG SER 2 HG SER 2 24.789 1.050 -27.568 11 H HIS 3 H HIS 3 19.794 0.711 -25.818 12 HA HIS 3 HA HIS 3 18.211 2.418 -27.644 13 HB2 HIS 3 2HB HIS 3 17.686 -0.485 -27.025 14 HB3 HIS 3 1HB HIS 3 16.347 0.596 -27.413 15 HD1 HIS 3 1HD HIS 3 17.299 2.270 -29.651 16 HD2 HIS 3 2HD HIS 3 18.382 -1.747 -29.374 17 HE1 HIS 3 1HE HIS 3 17.961 1.544 -31.985 18 H MET 4 H MET 4 18.582 3.751 -25.623 19 HA MET 4 HA MET 4 17.838 4.642 -23.565 20 HB2 MET 4 2HB MET 4 15.469 3.188 -24.742 21 HB3 MET 4 1HB MET 4 15.324 4.071 -23.222 22 HG2 MET 4 2HG MET 4 16.312 6.079 -24.426 23 HG3 MET 4 1HG MET 4 16.110 5.177 -25.927 24 HE1 MET 4 3HE MET 4 12.760 4.910 -26.831 25 HE2 MET 4 1HE MET 4 14.505 4.765 -27.084 26 HE3 MET 4 2HE MET 4 13.703 6.319 -27.305 27 H ALA 5 H ALA 5 19.437 3.029 -22.564 28 HA ALA 5 HA ALA 5 18.122 1.577 -20.403 29 HB1 ALA 5 1HB ALA 5 17.789 -0.035 -22.170 30 HB2 ALA 5 2HB ALA 5 19.100 -0.641 -21.158 31 HB3 ALA 5 3HB ALA 5 19.461 0.128 -22.704 32 H THR 6 H THR 6 19.513 2.665 -18.968 33 HA THR 6 HA THR 6 22.407 2.790 -19.439 34 HB THR 6 HB THR 6 22.274 3.847 -17.121 35 HG1 THR 6 1HG THR 6 20.229 4.170 -16.302 36 HG21 THR 6 3HG2 THR 6 21.303 5.872 -17.949 37 HG22 THR 6 1HG2 THR 6 20.294 4.993 -19.097 38 HG23 THR 6 2HG2 THR 6 22.039 5.071 -19.338 39 HA PRO 7 HA PRO 7 23.421 -0.992 -17.413 40 HB2 PRO 7 2HB PRO 7 25.873 -0.322 -16.344 41 HB3 PRO 7 1HB PRO 7 25.618 -0.731 -18.048 42 HG2 PRO 7 2HG PRO 7 25.929 1.928 -16.766 43 HG3 PRO 7 1HG PRO 7 26.490 1.361 -18.346 44 HD2 PRO 7 2HD PRO 7 24.308 2.958 -18.007 45 HD3 PRO 7 1HD PRO 7 24.498 1.829 -19.367 46 H TRP 8 H TRP 8 23.970 -1.839 -15.183 47 HA TRP 8 HA TRP 8 23.095 -1.989 -12.976 48 HB2 TRP 8 2HB TRP 8 24.372 -0.013 -11.657 49 HB3 TRP 8 1HB TRP 8 25.188 -1.454 -12.243 50 HD1 TRP 8 HD TRP 8 24.517 2.198 -13.295 51 HE1 TRP 8 1HE TRP 8 26.462 2.968 -14.802 52 HE3 TRP 8 3HE TRP 8 27.134 -2.170 -13.658 53 HZ2 TRP 8 2HZ TRP 8 28.818 1.874 -15.998 54 HZ3 TRP 8 3HZ TRP 8 29.226 -2.276 -14.980 55 HH2 TRP 8 HH TRP 8 30.071 -0.262 -16.150 56 H SER 9 H SER 9 21.187 -0.557 -14.567 57 HA SER 9 HA SER 9 20.375 1.777 -12.933 58 HB2 SER 9 2HB SER 9 20.037 2.200 -15.190 59 HB3 SER 9 1HB SER 9 19.684 0.516 -15.558 60 HG SER 9 HG SER 9 17.681 1.150 -15.489 61 H GLY 10 H GLY 10 18.092 -0.560 -14.294 62 HA2 GLY 10 2HA GLY 10 16.440 -1.876 -13.299 63 HA3 GLY 10 1HA GLY 10 17.488 -1.973 -11.885 64 H TYR 11 H TYR 11 17.482 -0.035 -10.460 65 HA TYR 11 HA TYR 11 14.712 0.830 -9.968 66 HB2 TYR 11 2HB TYR 11 17.252 0.554 -8.544 67 HB3 TYR 11 1HB TYR 11 16.419 2.050 -8.128 68 HD1 TYR 11 2HD TYR 11 16.153 -1.641 -8.189 69 HD2 TYR 11 1HD TYR 11 14.316 2.035 -6.939 70 HE1 TYR 11 2HE TYR 11 14.578 -2.914 -6.758 71 HE2 TYR 11 1HE TYR 11 12.742 0.762 -5.507 72 HH TYR 11 HH TYR 11 11.814 -1.467 -5.329 73 H LEU 12 H LEU 12 17.491 2.133 -11.554 74 HA LEU 12 HA LEU 12 17.200 4.922 -11.071 75 HB2 LEU 12 2HB LEU 12 18.330 3.135 -13.173 76 HB3 LEU 12 1HB LEU 12 18.120 4.832 -13.601 77 HG LEU 12 HG LEU 12 19.363 5.454 -11.514 78 HD11 LEU 12 1HD1 LEU 12 19.189 3.662 -10.037 79 HD12 LEU 12 2HD1 LEU 12 20.807 3.400 -10.690 80 HD13 LEU 12 3HD1 LEU 12 19.445 2.462 -11.303 81 HD21 LEU 12 3HD2 LEU 12 21.191 3.601 -12.964 82 HD22 LEU 12 1HD2 LEU 12 21.386 5.316 -12.601 83 HD23 LEU 12 2HD2 LEU 12 20.352 4.809 -13.937 84 H ASP 13 H ASP 13 15.283 2.722 -13.012 85 HA ASP 13 HA ASP 13 13.203 4.715 -13.422 86 HB2 ASP 13 2HB ASP 13 15.180 5.176 -15.070 87 HB3 ASP 13 1HB ASP 13 14.572 3.763 -15.932 88 H ASP 14 H ASP 14 14.615 1.635 -14.519 89 HA ASP 14 HA ASP 14 12.355 0.403 -15.662 90 HB2 ASP 14 2HB ASP 14 14.911 -0.361 -14.429 91 HB3 ASP 14 1HB ASP 14 13.687 -1.629 -14.378 92 H VAL 15 H VAL 15 13.455 -0.736 -12.548 93 HA VAL 15 HA VAL 15 11.045 -1.817 -11.643 94 HB VAL 15 HB VAL 15 13.284 -0.480 -10.107 95 HG11 VAL 15 1HG1 VAL 15 12.614 -2.197 -8.372 96 HG12 VAL 15 2HG1 VAL 15 11.159 -2.476 -9.329 97 HG13 VAL 15 3HG1 VAL 15 11.459 -0.889 -8.622 98 HG21 VAL 15 3HG2 VAL 15 13.891 -3.067 -10.015 99 HG22 VAL 15 1HG2 VAL 15 14.378 -2.068 -11.385 100 HG23 VAL 15 2HG2 VAL 15 12.954 -3.100 -11.509 101 H SER 16 H SER 16 12.240 1.496 -11.249 102 HA SER 16 HA SER 16 10.411 2.507 -9.385 103 HB2 SER 16 2HB SER 16 12.195 3.848 -10.091 104 HB3 SER 16 1HB SER 16 11.844 3.580 -11.795 105 HG SER 16 HG SER 16 11.111 5.621 -10.381 106 H ALA 17 H ALA 17 9.876 1.864 -12.844 107 HA ALA 17 HA ALA 17 7.307 3.234 -12.975 108 HB1 ALA 17 1HB ALA 17 9.050 2.544 -14.804 109 HB2 ALA 17 2HB ALA 17 7.333 2.472 -15.198 110 HB3 ALA 17 3HB ALA 17 8.204 0.997 -14.780 111 H LYS 18 H LYS 18 8.325 -0.126 -12.442 112 HA LYS 18 HA LYS 18 5.517 -1.072 -12.275 113 HB2 LYS 18 2HB LYS 18 8.195 -2.444 -11.848 114 HB3 LYS 18 1HB LYS 18 6.638 -3.261 -11.984 115 HG2 LYS 18 2HG LYS 18 7.834 -1.496 -14.140 116 HG3 LYS 18 1HG LYS 18 7.932 -3.258 -14.128 117 HD2 LYS 18 2HD LYS 18 5.277 -2.982 -13.771 118 HD3 LYS 18 1HD LYS 18 5.595 -1.496 -14.667 119 HE2 LYS 18 2HE LYS 18 5.157 -3.112 -16.360 120 HE3 LYS 18 1HE LYS 18 6.930 -3.031 -16.303 121 HZ1 LYS 18 3HZ LYS 18 6.972 -4.883 -14.796 122 HZ2 LYS 18 1HZ LYS 18 6.080 -5.331 -16.167 123 HZ3 LYS 18 2HZ LYS 18 5.276 -4.930 -14.725 124 H PHE 19 H PHE 19 8.175 -0.169 -10.215 125 HA PHE 19 HA PHE 19 6.901 -1.231 -7.768 126 HB2 PHE 19 2HB PHE 19 9.463 -1.050 -8.646 127 HB3 PHE 19 1HB PHE 19 9.358 0.449 -7.723 128 HD1 PHE 19 2HD PHE 19 7.885 0.021 -5.418 129 HD2 PHE 19 1HD PHE 19 10.354 -2.832 -7.466 130 HE1 PHE 19 2HE PHE 19 8.145 -1.261 -3.310 131 HE2 PHE 19 1HE PHE 19 10.618 -4.115 -5.358 132 HZ PHE 19 HZ PHE 19 9.512 -3.330 -3.281 133 H ASP 20 H ASP 20 8.294 1.952 -8.757 134 HA ASP 20 HA ASP 20 6.879 3.397 -6.684 135 HB2 ASP 20 2HB ASP 20 8.927 3.829 -8.580 136 HB3 ASP 20 1HB ASP 20 7.671 5.002 -8.973 137 H THR 21 H THR 21 6.530 3.953 -10.206 138 HA THR 21 HA THR 21 3.941 5.118 -10.048 139 HB THR 21 HB THR 21 4.954 3.484 -12.378 140 HG1 THR 21 1HG THR 21 6.300 5.208 -12.870 141 HG21 THR 21 3HG2 THR 21 4.075 5.630 -13.536 142 HG22 THR 21 1HG2 THR 21 3.291 5.964 -11.992 143 HG23 THR 21 2HG2 THR 21 2.890 4.498 -12.884 144 H GLY 22 H GLY 22 4.936 1.739 -10.543 145 HA2 GLY 22 2HA GLY 22 2.366 0.633 -11.060 146 HA3 GLY 22 1HA GLY 22 3.723 -0.259 -10.373 147 H VAL 23 H VAL 23 4.139 0.372 -7.952 148 HA VAL 23 HA VAL 23 1.859 -0.429 -6.437 149 HB VAL 23 HB VAL 23 4.355 1.051 -5.572 150 HG11 VAL 23 1HG1 VAL 23 3.971 0.057 -3.405 151 HG12 VAL 23 2HG1 VAL 23 2.608 -0.874 -4.027 152 HG13 VAL 23 3HG1 VAL 23 2.491 0.882 -3.894 153 HG21 VAL 23 3HG2 VAL 23 5.538 -0.872 -5.854 154 HG22 VAL 23 1HG2 VAL 23 4.219 -1.367 -6.914 155 HG23 VAL 23 2HG2 VAL 23 4.228 -1.868 -5.224 156 H ASP 24 H ASP 24 3.286 2.819 -6.937 157 HA ASP 24 HA ASP 24 1.566 4.298 -5.218 158 HB2 ASP 24 2HB ASP 24 3.619 5.117 -6.393 159 HB3 ASP 24 1HB ASP 24 2.728 5.082 -7.915 160 H ASN 25 H ASN 25 1.169 3.255 -8.594 161 HA ASN 25 HA ASN 25 -1.335 4.561 -9.110 162 HB2 ASN 25 2HB ASN 25 0.228 2.236 -10.199 163 HB3 ASN 25 1HB ASN 25 -1.427 2.481 -10.758 164 HD21 ASN 25 1HD2 ASN 25 -0.999 3.308 -12.864 165 HD22 ASN 25 2HD2 ASN 25 -0.131 4.740 -13.144 166 H LEU 26 H LEU 26 -0.485 1.365 -7.786 167 HA LEU 26 HA LEU 26 -3.187 0.371 -7.553 168 HB2 LEU 26 2HB LEU 26 -0.512 -0.456 -7.025 169 HB3 LEU 26 1HB LEU 26 -1.406 -0.645 -5.520 170 HG LEU 26 HG LEU 26 -2.308 -1.717 -8.197 171 HD11 LEU 26 1HD1 LEU 26 -1.850 -3.907 -6.691 172 HD12 LEU 26 2HD1 LEU 26 -0.616 -2.833 -6.033 173 HD13 LEU 26 3HD1 LEU 26 -0.632 -3.205 -7.755 174 HD21 LEU 26 3HD2 LEU 26 -4.300 -1.940 -7.176 175 HD22 LEU 26 1HD2 LEU 26 -3.636 -1.327 -5.663 176 HD23 LEU 26 2HD2 LEU 26 -3.541 -3.048 -6.034 177 H GLN 27 H GLN 27 -1.165 2.429 -5.528 178 HA GLN 27 HA GLN 27 -2.840 2.233 -3.150 179 HB2 GLN 27 2HB GLN 27 -0.294 2.983 -3.691 180 HB3 GLN 27 1HB GLN 27 -1.062 4.570 -3.626 181 HG2 GLN 27 2HG GLN 27 -1.558 2.523 -1.469 182 HG3 GLN 27 1HG GLN 27 -0.145 3.577 -1.411 183 HE21 GLN 27 1HE2 GLN 27 -0.800 6.039 -1.873 184 HE22 GLN 27 2HE2 GLN 27 -2.182 6.578 -1.047 185 H THR 28 H THR 28 -2.575 4.487 -5.896 186 HA THR 28 HA THR 28 -4.543 6.338 -4.738 187 HB THR 28 HB THR 28 -2.566 6.941 -6.215 188 HG1 THR 28 1HG THR 28 -3.856 8.431 -7.452 189 HG21 THR 28 3HG2 THR 28 -4.354 5.744 -8.354 190 HG22 THR 28 1HG2 THR 28 -2.771 5.142 -7.863 191 HG23 THR 28 2HG2 THR 28 -2.909 6.706 -8.664 192 H GLN 29 H GLN 29 -4.554 3.592 -6.930 193 HA GLN 29 HA GLN 29 -7.033 4.077 -8.264 194 HB2 GLN 29 2HB GLN 29 -5.065 2.036 -8.054 195 HB3 GLN 29 1HB GLN 29 -6.615 1.277 -7.714 196 HG2 GLN 29 2HG GLN 29 -5.888 2.896 -10.170 197 HG3 GLN 29 1HG GLN 29 -6.236 1.171 -10.105 198 HE21 GLN 29 1HE2 GLN 29 -8.544 1.611 -8.169 199 HE22 GLN 29 2HE2 GLN 29 -9.792 2.256 -9.116 200 H VAL 30 H VAL 30 -6.358 2.236 -5.243 201 HA VAL 30 HA VAL 30 -9.119 1.609 -4.741 202 HB VAL 30 HB VAL 30 -8.134 1.690 -2.229 203 HG11 VAL 30 1HG1 VAL 30 -7.009 -0.613 -3.596 204 HG12 VAL 30 2HG1 VAL 30 -8.626 -0.241 -4.193 205 HG13 VAL 30 3HG1 VAL 30 -8.365 -0.527 -2.473 206 HG21 VAL 30 3HG2 VAL 30 -5.650 0.980 -3.755 207 HG22 VAL 30 1HG2 VAL 30 -5.827 1.447 -2.063 208 HG23 VAL 30 2HG2 VAL 30 -5.956 2.665 -3.332 209 H THR 31 H THR 31 -7.151 4.465 -4.128 210 HA THR 31 HA THR 31 -8.917 5.830 -2.330 211 HB THR 31 HB THR 31 -7.339 7.145 -4.552 212 HG1 THR 31 1HG THR 31 -6.329 6.023 -2.150 213 HG21 THR 31 3HG2 THR 31 -8.751 8.392 -2.800 214 HG22 THR 31 1HG2 THR 31 -7.075 8.906 -2.987 215 HG23 THR 31 2HG2 THR 31 -7.537 7.877 -1.630 216 H GLU 32 H GLU 32 -8.689 5.740 -5.899 217 HA GLU 32 HA GLU 32 -11.015 7.349 -6.455 218 HB2 GLU 32 2HB GLU 32 -9.803 5.000 -7.972 219 HB3 GLU 32 1HB GLU 32 -10.881 6.214 -8.656 220 HG2 GLU 32 2HG GLU 32 -8.146 6.770 -7.477 221 HG3 GLU 32 1HG GLU 32 -8.518 6.686 -9.198 222 H ALA 33 H ALA 33 -10.445 3.848 -6.209 223 HA ALA 33 HA ALA 33 -13.070 2.853 -6.478 224 HB1 ALA 33 1HB ALA 33 -10.819 1.639 -6.257 225 HB2 ALA 33 2HB ALA 33 -12.150 0.906 -5.362 226 HB3 ALA 33 3HB ALA 33 -10.958 1.888 -4.520 227 H LEU 34 H LEU 34 -11.563 4.608 -3.838 228 HA LEU 34 HA LEU 34 -13.536 3.942 -1.797 229 HB2 LEU 34 2HB LEU 34 -11.052 4.860 -1.702 230 HB3 LEU 34 1HB LEU 34 -11.840 6.433 -1.838 231 HG LEU 34 HG LEU 34 -13.389 5.465 0.078 232 HD11 LEU 34 1HD1 LEU 34 -10.788 3.981 0.551 233 HD12 LEU 34 2HD1 LEU 34 -12.262 3.216 -0.045 234 HD13 LEU 34 3HD1 LEU 34 -12.233 3.941 1.563 235 HD21 LEU 34 3HD2 LEU 34 -10.556 6.283 0.762 236 HD22 LEU 34 1HD2 LEU 34 -12.029 6.626 1.669 237 HD23 LEU 34 2HD2 LEU 34 -11.740 7.423 0.122 238 H ASP 35 H ASP 35 -12.825 6.968 -3.588 239 HA ASP 35 HA ASP 35 -15.237 8.340 -2.882 240 HB2 ASP 35 2HB ASP 35 -13.075 8.516 -4.931 241 HB3 ASP 35 1HB ASP 35 -14.556 9.412 -5.271 242 H LYS 36 H LYS 36 -14.511 5.907 -5.295 243 HA LYS 36 HA LYS 36 -16.992 6.261 -6.813 244 HB2 LYS 36 2HB LYS 36 -14.455 5.033 -7.103 245 HB3 LYS 36 1HB LYS 36 -15.622 3.729 -7.151 246 HG2 LYS 36 2HG LYS 36 -16.255 4.305 -9.234 247 HG3 LYS 36 1HG LYS 36 -16.582 5.959 -8.720 248 HD2 LYS 36 2HD LYS 36 -14.845 5.890 -10.488 249 HD3 LYS 36 1HD LYS 36 -14.200 6.528 -8.976 250 HE2 LYS 36 2HE LYS 36 -12.720 4.812 -8.779 251 HE3 LYS 36 1HE LYS 36 -13.962 3.602 -9.161 252 HZ1 LYS 36 3HZ LYS 36 -12.184 3.863 -10.891 253 HZ2 LYS 36 1HZ LYS 36 -12.786 5.421 -11.189 254 HZ3 LYS 36 2HZ LYS 36 -13.772 4.064 -11.463 255 H LEU 37 H LEU 37 -15.672 4.080 -4.329 256 HA LEU 37 HA LEU 37 -17.797 2.182 -4.237 257 HB2 LEU 37 2HB LEU 37 -15.856 1.617 -3.044 258 HB3 LEU 37 1HB LEU 37 -15.692 3.230 -2.359 259 HG LEU 37 HG LEU 37 -17.587 2.824 -0.860 260 HD11 LEU 37 1HD1 LEU 37 -18.834 1.329 -2.439 261 HD12 LEU 37 2HD1 LEU 37 -18.742 0.687 -0.799 262 HD13 LEU 37 3HD1 LEU 37 -17.691 0.041 -2.059 263 HD21 LEU 37 3HD2 LEU 37 -15.225 2.011 -0.308 264 HD22 LEU 37 1HD2 LEU 37 -15.789 0.396 -0.738 265 HD23 LEU 37 2HD2 LEU 37 -16.536 1.262 0.605 266 H ALA 38 H ALA 38 -17.242 4.946 -2.040 267 HA ALA 38 HA ALA 38 -19.834 4.915 -0.839 268 HB1 ALA 38 1HB ALA 38 -17.486 6.702 -1.091 269 HB2 ALA 38 2HB ALA 38 -18.373 6.211 0.351 270 HB3 ALA 38 3HB ALA 38 -18.998 7.506 -0.671 271 H ALA 39 H ALA 39 -18.732 6.038 -3.945 272 HA ALA 39 HA ALA 39 -20.646 8.022 -4.633 273 HB1 ALA 39 1HB ALA 39 -18.576 6.671 -5.827 274 HB2 ALA 39 2HB ALA 39 -19.688 7.717 -6.707 275 HB3 ALA 39 3HB ALA 39 -19.956 5.975 -6.673 276 H LYS 40 H LYS 40 -20.744 4.575 -5.493 277 HA LYS 40 HA LYS 40 -23.659 4.656 -5.915 278 HB2 LYS 40 2HB LYS 40 -21.313 2.987 -6.552 279 HB3 LYS 40 1HB LYS 40 -22.746 2.042 -6.156 280 HG2 LYS 40 2HG LYS 40 -23.919 3.801 -7.776 281 HG3 LYS 40 1HG LYS 40 -22.284 3.932 -8.425 282 HD2 LYS 40 2HD LYS 40 -22.515 1.228 -8.232 283 HD3 LYS 40 1HD LYS 40 -24.193 1.669 -8.558 284 HE2 LYS 40 2HE LYS 40 -22.959 3.239 -10.392 285 HE3 LYS 40 1HE LYS 40 -21.811 1.888 -10.325 286 HZ1 LYS 40 3HZ LYS 40 -24.751 1.539 -10.546 287 HZ2 LYS 40 1HZ LYS 40 -23.562 0.338 -10.687 288 HZ3 LYS 40 2HZ LYS 40 -23.705 1.534 -11.886 289 HA PRO 41 HA PRO 41 -24.671 3.375 -1.788 290 HB2 PRO 41 2HB PRO 41 -26.737 1.613 -2.978 291 HB3 PRO 41 1HB PRO 41 -26.930 2.960 -1.841 292 HG2 PRO 41 2HG PRO 41 -27.653 3.133 -4.424 293 HG3 PRO 41 1HG PRO 41 -27.061 4.520 -3.499 294 HD2 PRO 41 2HD PRO 41 -25.689 2.923 -5.590 295 HD3 PRO 41 1HD PRO 41 -25.508 4.641 -5.168 296 H SER 42 H SER 42 -25.588 0.843 -0.986 297 HA SER 42 HA SER 42 -23.272 -0.771 -0.883 298 HB2 SER 42 2HB SER 42 -26.191 -1.066 -0.425 299 HB3 SER 42 1HB SER 42 -25.302 -2.572 -0.632 300 HG SER 42 HG SER 42 -25.481 -1.257 1.547 301 H ASP 43 H ASP 43 -22.344 -0.958 -3.007 302 HA ASP 43 HA ASP 43 -23.963 -2.493 -5.000 303 HB2 ASP 43 2HB ASP 43 -21.923 -0.323 -5.086 304 HB3 ASP 43 1HB ASP 43 -21.935 -1.467 -6.428 305 HA PRO 44 HA PRO 44 -21.079 -5.830 -4.727 306 HB2 PRO 44 2HB PRO 44 -21.378 -6.861 -7.251 307 HB3 PRO 44 1HB PRO 44 -22.600 -7.055 -5.983 308 HG2 PRO 44 2HG PRO 44 -22.566 -5.265 -8.325 309 HG3 PRO 44 1HG PRO 44 -23.935 -6.029 -7.508 310 HD2 PRO 44 2HD PRO 44 -23.186 -3.382 -7.238 311 HD3 PRO 44 1HD PRO 44 -24.212 -4.280 -6.100 312 H ALA 45 H ALA 45 -21.041 -3.978 -7.716 313 HA ALA 45 HA ALA 45 -18.408 -4.794 -8.561 314 HB1 ALA 45 1HB ALA 45 -18.958 -2.707 -10.069 315 HB2 ALA 45 2HB ALA 45 -20.534 -2.829 -9.286 316 HB3 ALA 45 3HB ALA 45 -19.902 -4.189 -10.215 317 H LEU 46 H LEU 46 -19.588 -1.586 -7.409 318 HA LEU 46 HA LEU 46 -17.144 -0.221 -7.320 319 HB2 LEU 46 2HB LEU 46 -19.783 -0.113 -6.037 320 HB3 LEU 46 1HB LEU 46 -18.522 0.599 -5.043 321 HG LEU 46 HG LEU 46 -19.461 2.343 -6.427 322 HD11 LEU 46 1HD1 LEU 46 -16.923 2.192 -6.149 323 HD12 LEU 46 2HD1 LEU 46 -17.515 3.199 -7.470 324 HD13 LEU 46 3HD1 LEU 46 -16.884 1.590 -7.806 325 HD21 LEU 46 3HD2 LEU 46 -20.447 0.945 -8.171 326 HD22 LEU 46 1HD2 LEU 46 -18.842 0.521 -8.766 327 HD23 LEU 46 2HD2 LEU 46 -19.422 2.181 -8.898 328 H LEU 47 H LEU 47 -18.624 -1.909 -4.536 329 HA LEU 47 HA LEU 47 -16.428 -1.772 -2.746 330 HB2 LEU 47 2HB LEU 47 -18.970 -2.671 -2.698 331 HB3 LEU 47 1HB LEU 47 -18.136 -4.217 -2.840 332 HG LEU 47 HG LEU 47 -16.619 -3.128 -0.921 333 HD11 LEU 47 1HD1 LEU 47 -17.543 -1.102 -0.388 334 HD12 LEU 47 2HD1 LEU 47 -18.635 -2.094 0.577 335 HD13 LEU 47 3HD1 LEU 47 -19.128 -1.544 -1.024 336 HD21 LEU 47 3HD2 LEU 47 -19.330 -4.226 -0.178 337 HD22 LEU 47 1HD2 LEU 47 -17.771 -4.535 0.588 338 HD23 LEU 47 2HD2 LEU 47 -18.134 -5.240 -0.986 339 H ALA 48 H ALA 48 -17.343 -4.405 -4.989 340 HA ALA 48 HA ALA 48 -15.149 -6.157 -4.549 341 HB1 ALA 48 1HB ALA 48 -16.808 -5.476 -6.991 342 HB2 ALA 48 2HB ALA 48 -17.097 -6.783 -5.842 343 HB3 ALA 48 3HB ALA 48 -15.705 -6.851 -6.924 344 H ALA 49 H ALA 49 -15.450 -3.223 -6.439 345 HA ALA 49 HA ALA 49 -13.068 -3.504 -8.018 346 HB1 ALA 49 1HB ALA 49 -13.593 -1.295 -8.652 347 HB2 ALA 49 2HB ALA 49 -14.287 -0.916 -7.077 348 HB3 ALA 49 3HB ALA 49 -15.155 -1.968 -8.193 349 H TYR 50 H TYR 50 -13.646 -1.352 -5.154 350 HA TYR 50 HA TYR 50 -10.937 -0.638 -4.726 351 HB2 TYR 50 2HB TYR 50 -12.983 0.309 -3.638 352 HB3 TYR 50 1HB TYR 50 -13.099 -1.149 -2.659 353 HD1 TYR 50 1HD TYR 50 -10.869 -1.790 -1.342 354 HD2 TYR 50 2HD TYR 50 -11.829 2.129 -2.798 355 HE1 TYR 50 1HE TYR 50 -9.287 -0.795 0.276 356 HE2 TYR 50 2HE TYR 50 -10.247 3.125 -1.187 357 HH TYR 50 HH TYR 50 -9.156 1.684 1.437 358 H GLN 51 H GLN 51 -12.739 -3.515 -3.636 359 HA GLN 51 HA GLN 51 -10.628 -4.578 -1.965 360 HB2 GLN 51 2HB GLN 51 -12.996 -5.807 -3.416 361 HB3 GLN 51 1HB GLN 51 -12.012 -6.672 -2.233 362 HG2 GLN 51 2HG GLN 51 -12.562 -4.951 -0.536 363 HG3 GLN 51 1HG GLN 51 -13.585 -4.132 -1.717 364 HE21 GLN 51 1HE2 GLN 51 -15.748 -4.757 -1.686 365 HE22 GLN 51 2HE2 GLN 51 -16.330 -6.223 -1.060 366 H SER 52 H SER 52 -11.686 -5.244 -5.319 367 HA SER 52 HA SER 52 -9.848 -7.208 -6.099 368 HB2 SER 52 2HB SER 52 -11.734 -6.256 -7.436 369 HB3 SER 52 1HB SER 52 -10.809 -4.773 -7.651 370 HG SER 52 HG SER 52 -10.531 -6.166 -9.420 371 H LYS 53 H LYS 53 -9.432 -3.683 -5.986 372 HA LYS 53 HA LYS 53 -6.673 -3.728 -6.929 373 HB2 LYS 53 2HB LYS 53 -8.763 -1.855 -6.351 374 HB3 LYS 53 1HB LYS 53 -7.364 -1.390 -5.389 375 HG2 LYS 53 2HG LYS 53 -6.356 -0.552 -7.210 376 HG3 LYS 53 1HG LYS 53 -6.448 -2.119 -8.009 377 HD2 LYS 53 2HD LYS 53 -8.971 -0.542 -7.885 378 HD3 LYS 53 1HD LYS 53 -7.709 0.056 -8.965 379 HE2 LYS 53 2HE LYS 53 -7.734 -1.884 -10.291 380 HE3 LYS 53 1HE LYS 53 -8.476 -2.861 -9.009 381 HZ1 LYS 53 3HZ LYS 53 -10.101 -2.189 -10.705 382 HZ2 LYS 53 1HZ LYS 53 -9.778 -0.558 -10.367 383 HZ3 LYS 53 2HZ LYS 53 -10.479 -1.549 -9.177 384 H LEU 54 H LEU 54 -8.343 -3.861 -3.843 385 HA LEU 54 HA LEU 54 -6.131 -3.317 -2.097 386 HB2 LEU 54 2HB LEU 54 -8.723 -3.497 -1.748 387 HB3 LEU 54 1HB LEU 54 -8.399 -5.209 -1.486 388 HG LEU 54 HG LEU 54 -6.588 -4.399 0.177 389 HD11 LEU 54 1HD1 LEU 54 -7.909 -1.891 -0.631 390 HD12 LEU 54 2HD1 LEU 54 -6.333 -2.140 0.117 391 HD13 LEU 54 3HD1 LEU 54 -7.788 -2.106 1.114 392 HD21 LEU 54 3HD2 LEU 54 -9.570 -4.111 0.638 393 HD22 LEU 54 1HD2 LEU 54 -8.388 -4.070 1.947 394 HD23 LEU 54 2HD2 LEU 54 -8.564 -5.524 0.964 395 H SER 55 H SER 55 -7.670 -6.497 -2.691 396 HA SER 55 HA SER 55 -5.719 -8.170 -1.602 397 HB2 SER 55 2HB SER 55 -7.261 -8.683 -4.160 398 HB3 SER 55 1HB SER 55 -6.728 -9.880 -2.982 399 HG SER 55 HG SER 55 -8.478 -9.478 -1.907 400 H GLU 56 H GLU 56 -5.710 -6.613 -4.784 401 HA GLU 56 HA GLU 56 -3.337 -8.032 -5.743 402 HB2 GLU 56 2HB GLU 56 -5.246 -6.998 -7.099 403 HB3 GLU 56 1HB GLU 56 -4.547 -5.426 -6.712 404 HG2 GLU 56 2HG GLU 56 -3.506 -5.885 -8.741 405 HG3 GLU 56 1HG GLU 56 -2.324 -6.525 -7.598 406 H TYR 57 H TYR 57 -4.062 -4.984 -4.129 407 HA TYR 57 HA TYR 57 -1.443 -3.795 -4.490 408 HB2 TYR 57 2HB TYR 57 -3.536 -2.546 -4.093 409 HB3 TYR 57 1HB TYR 57 -3.671 -3.280 -2.500 410 HD1 TYR 57 2HD TYR 57 -0.591 -2.022 -4.235 411 HD2 TYR 57 1HD TYR 57 -3.409 -1.495 -1.043 412 HE1 TYR 57 2HE TYR 57 0.867 -0.287 -3.227 413 HE2 TYR 57 1HE TYR 57 -1.954 0.239 -0.029 414 HH TYR 57 HH TYR 57 0.700 1.609 -1.719 415 H ASN 58 H ASN 58 -3.047 -5.193 -1.587 416 HA ASN 58 HA ASN 58 -0.862 -5.082 0.186 417 HB2 ASN 58 2HB ASN 58 -3.332 -6.702 -0.177 418 HB3 ASN 58 1HB ASN 58 -2.119 -7.396 0.901 419 HD21 ASN 58 1HD2 ASN 58 -4.543 -4.917 0.605 420 HD22 ASN 58 2HD2 ASN 58 -4.283 -4.194 2.119 421 H LEU 59 H LEU 59 -1.697 -7.574 -2.220 422 HA LEU 59 HA LEU 59 0.552 -9.318 -1.638 423 HB2 LEU 59 2HB LEU 59 -1.712 -9.734 -2.880 424 HB3 LEU 59 1HB LEU 59 -0.899 -9.043 -4.281 425 HG LEU 59 HG LEU 59 -0.731 -11.514 -4.255 426 HD11 LEU 59 1HD1 LEU 59 1.188 -9.811 -4.957 427 HD12 LEU 59 2HD1 LEU 59 1.460 -11.552 -4.982 428 HD13 LEU 59 3HD1 LEU 59 2.040 -10.590 -3.624 429 HD21 LEU 59 3HD2 LEU 59 1.051 -11.258 -1.834 430 HD22 LEU 59 1HD2 LEU 59 0.314 -12.711 -2.509 431 HD23 LEU 59 2HD2 LEU 59 -0.683 -11.531 -1.658 432 H TYR 60 H TYR 60 -0.083 -6.588 -3.777 433 HA TYR 60 HA TYR 60 2.106 -6.584 -5.533 434 HB2 TYR 60 2HB TYR 60 0.073 -4.889 -4.727 435 HB3 TYR 60 1HB TYR 60 1.506 -4.000 -4.244 436 HD1 TYR 60 2HD TYR 60 0.412 -6.095 -7.165 437 HD2 TYR 60 1HD TYR 60 2.300 -2.497 -5.787 438 HE1 TYR 60 2HE TYR 60 0.710 -5.351 -9.508 439 HE2 TYR 60 1HE TYR 60 2.595 -1.751 -8.125 440 HH TYR 60 HH TYR 60 2.730 -2.729 -10.364 441 H ARG 61 H ARG 61 1.957 -5.028 -2.310 442 HA ARG 61 HA ARG 61 4.521 -4.043 -2.000 443 HB2 ARG 61 2HB ARG 61 2.835 -5.587 -0.005 444 HB3 ARG 61 1HB ARG 61 4.147 -4.489 0.422 445 HG2 ARG 61 2HG ARG 61 2.272 -3.228 -1.420 446 HG3 ARG 61 1HG ARG 61 1.456 -3.799 0.035 447 HD2 ARG 61 2HD ARG 61 2.434 -2.203 1.330 448 HD3 ARG 61 1HD ARG 61 4.026 -2.470 0.593 449 HE ARG 61 HE ARG 61 2.150 -1.200 -1.238 450 HH11 ARG 61 1HH2 ARG 61 4.423 -0.668 1.348 451 HH12 ARG 61 2HH2 ARG 61 4.743 0.965 0.878 452 HH21 ARG 61 1HH1 ARG 61 2.582 0.921 -1.825 453 HH22 ARG 61 2HH1 ARG 61 3.709 1.860 -0.905 454 H ASN 62 H ASN 62 3.557 -7.453 -1.473 455 HA ASN 62 HA ASN 62 6.268 -8.281 -0.752 456 HB2 ASN 62 2HB ASN 62 3.728 -9.774 -1.489 457 HB3 ASN 62 1HB ASN 62 5.176 -10.535 -0.829 458 HD21 ASN 62 1HD2 ASN 62 2.236 -9.027 0.038 459 HD22 ASN 62 2HD2 ASN 62 2.576 -8.774 1.682 460 H ALA 63 H ALA 63 4.121 -8.976 -3.546 461 HA ALA 63 HA ALA 63 5.902 -10.410 -5.168 462 HB1 ALA 63 1HB ALA 63 3.654 -10.238 -5.845 463 HB2 ALA 63 2HB ALA 63 4.489 -9.230 -7.026 464 HB3 ALA 63 3HB ALA 63 3.642 -8.483 -5.673 465 H GLN 64 H GLN 64 5.229 -6.922 -5.653 466 HA GLN 64 HA GLN 64 7.302 -6.307 -7.425 467 HB2 GLN 64 2HB GLN 64 5.623 -4.914 -5.435 468 HB3 GLN 64 1HB GLN 64 7.104 -4.058 -5.858 469 HG2 GLN 64 2HG GLN 64 5.328 -3.377 -7.385 470 HG3 GLN 64 1HG GLN 64 6.521 -4.326 -8.274 471 HE21 GLN 64 1HE2 GLN 64 3.800 -5.346 -6.130 472 HE22 GLN 64 2HE2 GLN 64 3.073 -6.349 -7.290 473 H SER 65 H SER 65 7.503 -6.723 -3.921 474 HA SER 65 HA SER 65 10.201 -5.653 -3.659 475 HB2 SER 65 2HB SER 65 8.698 -5.650 -1.776 476 HB3 SER 65 1HB SER 65 8.382 -7.373 -1.952 477 HG SER 65 HG SER 65 10.147 -6.328 -0.415 478 H ASN 66 H ASN 66 8.780 -8.831 -4.241 479 HA ASN 66 HA ASN 66 11.366 -10.224 -3.944 480 HB2 ASN 66 2HB ASN 66 8.485 -10.881 -4.386 481 HB3 ASN 66 1HB ASN 66 9.677 -12.072 -4.909 482 HD21 ASN 66 1HD2 ASN 66 7.729 -11.725 -2.411 483 HD22 ASN 66 2HD2 ASN 66 8.731 -12.174 -1.117 484 H THR 67 H THR 67 9.384 -8.865 -6.496 485 HA THR 67 HA THR 67 10.782 -10.321 -8.645 486 HB THR 67 HB THR 67 9.266 -8.923 -10.051 487 HG1 THR 67 1HG THR 67 9.123 -7.058 -8.922 488 HG21 THR 67 3HG2 THR 67 7.115 -9.774 -9.034 489 HG22 THR 67 1HG2 THR 67 8.059 -10.298 -7.640 490 HG23 THR 67 2HG2 THR 67 8.368 -10.999 -9.229 491 H ALA 68 H ALA 68 10.670 -7.003 -7.329 492 HA ALA 68 HA ALA 68 12.353 -5.735 -9.245 493 HB1 ALA 68 1HB ALA 68 12.527 -4.021 -7.559 494 HB2 ALA 68 2HB ALA 68 12.207 -5.180 -6.269 495 HB3 ALA 68 3HB ALA 68 10.924 -4.736 -7.394 496 H LYS 69 H LYS 69 13.160 -7.533 -6.279 497 HA LYS 69 HA LYS 69 15.933 -6.984 -6.116 498 HB2 LYS 69 2HB LYS 69 14.071 -9.187 -5.324 499 HB3 LYS 69 1HB LYS 69 15.804 -9.494 -5.192 500 HG2 LYS 69 2HG LYS 69 16.100 -7.566 -3.759 501 HG3 LYS 69 1HG LYS 69 14.427 -7.068 -4.008 502 HD2 LYS 69 2HD LYS 69 14.575 -8.190 -1.862 503 HD3 LYS 69 1HD LYS 69 13.692 -9.235 -2.975 504 HE2 LYS 69 2HE LYS 69 15.655 -10.609 -3.355 505 HE3 LYS 69 1HE LYS 69 16.671 -9.486 -2.429 506 HZ1 LYS 69 3HZ LYS 69 15.981 -11.272 -0.996 507 HZ2 LYS 69 1HZ LYS 69 14.351 -11.033 -1.401 508 HZ3 LYS 69 2HZ LYS 69 15.188 -9.849 -0.514 509 H ALA 70 H ALA 70 14.431 -9.874 -7.632 510 HA ALA 70 HA ALA 70 16.816 -10.842 -8.871 511 HB1 ALA 70 1HB ALA 70 13.850 -11.162 -9.261 512 HB2 ALA 70 2HB ALA 70 15.027 -12.349 -8.698 513 HB3 ALA 70 3HB ALA 70 14.962 -11.914 -10.406 514 H PHE 71 H PHE 71 14.438 -8.445 -9.886 515 HA PHE 71 HA PHE 71 15.101 -8.267 -12.656 516 HB2 PHE 71 2HB PHE 71 13.365 -7.081 -10.851 517 HB3 PHE 71 1HB PHE 71 14.429 -5.745 -11.293 518 HD1 PHE 71 2HD PHE 71 14.901 -5.421 -13.837 519 HD2 PHE 71 1HD PHE 71 11.607 -7.693 -12.276 520 HE1 PHE 71 2HE PHE 71 13.716 -5.192 -16.005 521 HE2 PHE 71 1HE PHE 71 10.422 -7.464 -14.443 522 HZ PHE 71 HZ PHE 71 11.477 -6.214 -16.308 523 H LYS 72 H LYS 72 16.175 -6.084 -10.013 524 HA LYS 72 HA LYS 72 18.175 -4.737 -11.546 525 HB2 LYS 72 2HB LYS 72 18.961 -4.012 -9.308 526 HB3 LYS 72 1HB LYS 72 17.204 -3.938 -9.421 527 HG2 LYS 72 2HG LYS 72 16.963 -6.007 -8.203 528 HG3 LYS 72 1HG LYS 72 18.700 -6.305 -8.265 529 HD2 LYS 72 2HD LYS 72 18.623 -5.368 -6.174 530 HD3 LYS 72 1HD LYS 72 18.721 -3.873 -7.103 531 HE2 LYS 72 2HE LYS 72 16.059 -4.185 -7.183 532 HE3 LYS 72 1HE LYS 72 16.382 -5.054 -5.670 533 HZ1 LYS 72 3HZ LYS 72 17.800 -3.141 -5.008 534 HZ2 LYS 72 1HZ LYS 72 16.154 -2.752 -5.142 535 HZ3 LYS 72 2HZ LYS 72 17.236 -2.297 -6.371 536 H ASP 73 H ASP 73 18.221 -7.804 -9.837 537 HA ASP 73 HA ASP 73 21.082 -8.129 -9.663 538 HB2 ASP 73 2HB ASP 73 19.157 -9.351 -8.464 539 HB3 ASP 73 1HB ASP 73 19.009 -10.314 -9.934 540 H ILE 74 H ILE 74 18.677 -9.341 -12.030 541 HA ILE 74 HA ILE 74 20.335 -10.821 -13.737 542 HB ILE 74 HB ILE 74 18.029 -8.951 -14.384 543 HG12 ILE 74 2HG1 ILE 74 17.741 -11.912 -14.213 544 HG13 ILE 74 1HG1 ILE 74 17.965 -11.052 -12.691 545 HG21 ILE 74 1HG2 ILE 74 17.704 -10.440 -16.355 546 HG22 ILE 74 2HG2 ILE 74 19.207 -11.268 -15.952 547 HG23 ILE 74 3HG2 ILE 74 19.236 -9.569 -16.425 548 HD11 ILE 74 3HD1 ILE 74 16.128 -9.445 -13.892 549 HD12 ILE 74 1HD1 ILE 74 15.702 -10.777 -12.816 550 HD13 ILE 74 2HD1 ILE 74 15.671 -11.010 -14.563 551 H ASP 75 H ASP 75 19.878 -7.291 -13.654 552 HA ASP 75 HA ASP 75 21.300 -6.564 -16.002 553 HB2 ASP 75 2HB ASP 75 20.787 -5.326 -13.304 554 HB3 ASP 75 1HB ASP 75 21.783 -4.479 -14.489 555 H ALA 76 H ALA 76 22.458 -7.313 -12.735 556 HA ALA 76 HA ALA 76 25.148 -6.507 -12.909 557 HB1 ALA 76 1HB ALA 76 23.761 -7.483 -10.983 558 HB2 ALA 76 2HB ALA 76 25.448 -7.990 -11.064 559 HB3 ALA 76 3HB ALA 76 24.175 -9.069 -11.633 560 H ALA 77 H ALA 77 23.556 -9.201 -14.500 561 HA ALA 77 HA ALA 77 26.147 -10.454 -15.236 562 HB1 ALA 77 1HB ALA 77 24.149 -11.756 -14.464 563 HB2 ALA 77 2HB ALA 77 24.691 -12.229 -16.075 564 HB3 ALA 77 3HB ALA 77 23.276 -11.192 -15.889 565 H ILE 78 H ILE 78 23.732 -8.305 -16.545 566 HA ILE 78 HA ILE 78 24.248 -8.832 -19.354 567 HB ILE 78 HB ILE 78 23.081 -6.433 -17.905 568 HG12 ILE 78 2HG1 ILE 78 21.697 -8.809 -19.193 569 HG13 ILE 78 1HG1 ILE 78 21.954 -8.633 -17.457 570 HG21 ILE 78 1HG2 ILE 78 21.846 -6.384 -20.246 571 HG22 ILE 78 2HG2 ILE 78 23.290 -7.243 -20.783 572 HG23 ILE 78 3HG2 ILE 78 23.434 -5.640 -20.060 573 HD11 ILE 78 3HD1 ILE 78 20.820 -6.252 -17.927 574 HD12 ILE 78 1HD1 ILE 78 19.857 -7.692 -17.595 575 HD13 ILE 78 2HD1 ILE 78 20.093 -7.154 -19.258 576 H ILE 79 H ILE 79 26.148 -7.336 -16.969 577 HA ILE 79 HA ILE 79 27.517 -5.602 -18.992 578 HB ILE 79 HB ILE 79 27.516 -5.577 -15.954 579 HG12 ILE 79 2HG1 ILE 79 26.198 -3.697 -17.944 580 HG13 ILE 79 1HG1 ILE 79 25.348 -4.946 -17.037 581 HG21 ILE 79 1HG2 ILE 79 29.445 -4.557 -17.645 582 HG22 ILE 79 2HG2 ILE 79 29.099 -3.951 -16.026 583 HG23 ILE 79 3HG2 ILE 79 28.369 -3.176 -17.431 584 HD11 ILE 79 3HD1 ILE 79 26.846 -3.499 -15.127 585 HD12 ILE 79 1HD1 ILE 79 25.097 -3.473 -15.354 586 HD13 ILE 79 2HD1 ILE 79 26.112 -2.293 -16.182 587 H GLN 80 H GLN 80 28.103 -7.933 -16.347 588 HA GLN 80 HA GLN 80 30.957 -8.186 -17.050 589 HB2 GLN 80 2HB GLN 80 29.095 -9.538 -15.069 590 HB3 GLN 80 1HB GLN 80 30.823 -9.878 -15.171 591 HG2 GLN 80 2HG GLN 80 31.355 -7.551 -14.673 592 HG3 GLN 80 1HG GLN 80 29.642 -7.127 -14.693 593 HE21 GLN 80 1HE2 GLN 80 32.205 -8.344 -12.707 594 HE22 GLN 80 2HE2 GLN 80 31.265 -8.701 -11.341 595 H ASN 81 H ASN 81 27.929 -9.925 -17.512 596 HA ASN 81 HA ASN 81 29.376 -12.074 -19.024 597 HB2 ASN 81 2HB ASN 81 27.003 -11.912 -17.240 598 HB3 ASN 81 1HB ASN 81 26.853 -13.003 -18.617 599 HD21 ASN 81 1HD2 ASN 81 28.253 -12.640 -15.473 600 HD22 ASN 81 2HD2 ASN 81 29.184 -14.060 -15.486 601 H PHE 82 H PHE 82 27.528 -9.291 -19.465 602 HA PHE 82 HA PHE 82 26.428 -8.358 -21.282 603 HB2 PHE 82 2HB PHE 82 27.425 -8.810 -23.286 604 HB3 PHE 82 1HB PHE 82 28.530 -9.725 -22.279 605 HD1 PHE 82 2HD PHE 82 25.266 -10.186 -24.109 606 HD2 PHE 82 1HD PHE 82 29.004 -11.926 -22.898 607 HE1 PHE 82 2HE PHE 82 24.740 -12.225 -25.414 608 HE2 PHE 82 1HE PHE 82 28.482 -13.960 -24.215 609 HZ PHE 82 HZ PHE 82 26.349 -14.112 -25.469 610 H ARG 83 H ARG 83 25.692 -11.598 -20.296 611 HA ARG 83 HA ARG 83 23.762 -12.917 -20.510 612 HB2 ARG 83 2HB ARG 83 22.911 -10.048 -20.173 613 HB3 ARG 83 1HB ARG 83 21.739 -11.366 -20.136 614 HG2 ARG 83 2HG ARG 83 24.219 -11.406 -18.419 615 HG3 ARG 83 1HG ARG 83 22.731 -10.629 -17.877 616 HD2 ARG 83 2HD ARG 83 22.838 -13.505 -18.846 617 HD3 ARG 83 1HD ARG 83 22.953 -13.041 -17.137 618 HE ARG 83 HE ARG 83 20.696 -11.782 -18.483 619 HH11 ARG 83 1HH2 ARG 83 21.815 -14.657 -16.864 620 HH12 ARG 83 2HH2 ARG 83 20.225 -15.137 -16.383 621 HH21 ARG 83 1HH1 ARG 83 18.645 -12.428 -17.847 622 HH22 ARG 83 2HH1 ARG 83 18.442 -13.887 -16.935 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 17.181 6.914 -30.880 2 H2 GLY 1 2HT GLY 1 16.053 5.975 -31.738 3 H3 GLY 1 3HT GLY 1 17.609 6.232 -32.373 4 HA2 GLY 1 2HA GLY 1 17.833 4.124 -31.534 5 HA3 GLY 1 1HA GLY 1 18.400 5.116 -30.190 6 H SER 2 H SER 2 17.725 3.793 -28.495 7 HA SER 2 HA SER 2 15.038 2.643 -28.396 8 HB2 SER 2 2HB SER 2 17.067 2.975 -26.173 9 HB3 SER 2 1HB SER 2 15.822 1.736 -26.314 10 HG SER 2 HG SER 2 18.095 1.220 -26.971 11 H HIS 3 H HIS 3 14.268 3.105 -25.767 12 HA HIS 3 HA HIS 3 13.957 6.074 -25.542 13 HB2 HIS 3 2HB HIS 3 11.852 3.901 -25.643 14 HB3 HIS 3 1HB HIS 3 11.511 5.508 -25.001 15 HD1 HIS 3 1HD HIS 3 10.408 4.174 -27.761 16 HD2 HIS 3 2HD HIS 3 13.340 7.114 -27.380 17 HE1 HIS 3 1HE HIS 3 10.485 5.400 -29.975 18 H MET 4 H MET 4 14.958 6.431 -23.579 19 HA MET 4 HA MET 4 15.459 6.243 -21.277 20 HB2 MET 4 2HB MET 4 12.789 6.420 -21.649 21 HB3 MET 4 1HB MET 4 12.860 4.856 -20.837 22 HG2 MET 4 2HG MET 4 13.695 5.758 -18.872 23 HG3 MET 4 1HG MET 4 14.451 7.121 -19.697 24 HE1 MET 4 3HE MET 4 11.779 8.527 -21.434 25 HE2 MET 4 1HE MET 4 13.436 8.760 -20.861 26 HE3 MET 4 2HE MET 4 12.126 9.735 -20.199 27 H ALA 5 H ALA 5 17.064 4.502 -21.910 28 HA ALA 5 HA ALA 5 16.639 2.100 -20.303 29 HB1 ALA 5 1HB ALA 5 15.550 1.055 -22.024 30 HB2 ALA 5 2HB ALA 5 17.179 0.839 -22.668 31 HB3 ALA 5 3HB ALA 5 16.179 2.179 -23.228 32 H THR 6 H THR 6 18.642 2.360 -19.314 33 HA THR 6 HA THR 6 21.048 2.232 -21.096 34 HB THR 6 HB THR 6 22.050 3.799 -19.286 35 HG1 THR 6 1HG THR 6 20.278 3.535 -17.850 36 HG21 THR 6 3HG2 THR 6 19.840 4.863 -21.067 37 HG22 THR 6 1HG2 THR 6 21.470 4.473 -21.615 38 HG23 THR 6 2HG2 THR 6 21.219 5.774 -20.451 39 HA PRO 7 HA PRO 7 22.459 -0.969 -18.439 40 HB2 PRO 7 2HB PRO 7 25.124 -0.278 -18.078 41 HB3 PRO 7 1HB PRO 7 24.485 -1.118 -19.500 42 HG2 PRO 7 2HG PRO 7 25.192 1.738 -19.151 43 HG3 PRO 7 1HG PRO 7 25.322 0.706 -20.582 44 HD2 PRO 7 2HD PRO 7 23.375 2.573 -20.258 45 HD3 PRO 7 1HD PRO 7 23.161 1.095 -21.221 46 H TRP 8 H TRP 8 23.641 -1.302 -16.249 47 HA TRP 8 HA TRP 8 23.307 -0.911 -13.929 48 HB2 TRP 8 2HB TRP 8 24.726 1.362 -13.485 49 HB3 TRP 8 1HB TRP 8 25.461 -0.200 -13.811 50 HD1 TRP 8 HD TRP 8 24.439 3.034 -15.640 51 HE1 TRP 8 1HE TRP 8 25.975 3.319 -17.691 52 HE3 TRP 8 3HE TRP 8 27.060 -1.339 -15.389 53 HZ2 TRP 8 2HZ TRP 8 28.044 1.878 -19.045 54 HZ3 TRP 8 3HZ TRP 8 28.809 -1.856 -17.068 55 HH2 TRP 8 HH TRP 8 29.304 -0.254 -18.893 56 H SER 9 H SER 9 20.914 -0.372 -14.417 57 HA SER 9 HA SER 9 20.357 2.308 -13.233 58 HB2 SER 9 2HB SER 9 18.457 2.391 -15.004 59 HB3 SER 9 1HB SER 9 20.097 2.726 -15.549 60 HG SER 9 HG SER 9 18.682 1.089 -16.711 61 H GLY 10 H GLY 10 17.996 0.081 -14.656 62 HA2 GLY 10 2HA GLY 10 16.358 -1.270 -13.678 63 HA3 GLY 10 1HA GLY 10 17.400 -1.379 -12.259 64 H TYR 11 H TYR 11 17.409 0.613 -10.851 65 HA TYR 11 HA TYR 11 14.624 1.431 -10.347 66 HB2 TYR 11 2HB TYR 11 17.287 1.657 -8.955 67 HB3 TYR 11 1HB TYR 11 15.884 2.546 -8.358 68 HD1 TYR 11 2HD TYR 11 16.794 -0.902 -9.536 69 HD2 TYR 11 1HD TYR 11 14.495 1.495 -6.813 70 HE1 TYR 11 2HE TYR 11 15.958 -2.959 -8.431 71 HE2 TYR 11 1HE TYR 11 13.658 -0.563 -5.708 72 HH TYR 11 HH TYR 11 14.999 -3.396 -5.846 73 H LEU 12 H LEU 12 17.365 2.760 -11.970 74 HA LEU 12 HA LEU 12 17.082 5.545 -11.493 75 HB2 LEU 12 2HB LEU 12 18.139 3.748 -13.619 76 HB3 LEU 12 1HB LEU 12 17.889 5.434 -14.070 77 HG LEU 12 HG LEU 12 19.214 6.117 -12.060 78 HD11 LEU 12 1HD1 LEU 12 20.713 4.079 -11.257 79 HD12 LEU 12 2HD1 LEU 12 19.308 3.137 -11.758 80 HD13 LEU 12 3HD1 LEU 12 19.140 4.381 -10.519 81 HD21 LEU 12 3HD2 LEU 12 21.197 5.958 -13.220 82 HD22 LEU 12 1HD2 LEU 12 20.112 5.418 -14.501 83 HD23 LEU 12 2HD2 LEU 12 20.995 4.235 -13.536 84 H ASP 13 H ASP 13 15.107 3.341 -13.373 85 HA ASP 13 HA ASP 13 12.992 5.313 -13.688 86 HB2 ASP 13 2HB ASP 13 14.863 5.868 -15.391 87 HB3 ASP 13 1HB ASP 13 14.344 4.408 -16.234 88 H ASP 14 H ASP 14 14.403 2.263 -14.861 89 HA ASP 14 HA ASP 14 12.116 1.015 -15.938 90 HB2 ASP 14 2HB ASP 14 14.721 0.258 -14.789 91 HB3 ASP 14 1HB ASP 14 13.510 -1.023 -14.760 92 H VAL 15 H VAL 15 13.344 -0.182 -12.897 93 HA VAL 15 HA VAL 15 10.989 -1.297 -11.912 94 HB VAL 15 HB VAL 15 13.272 0.051 -10.452 95 HG11 VAL 15 1HG1 VAL 15 12.701 -1.588 -8.662 96 HG12 VAL 15 2HG1 VAL 15 11.264 -2.035 -9.582 97 HG13 VAL 15 3HG1 VAL 15 11.430 -0.399 -8.946 98 HG21 VAL 15 3HG2 VAL 15 12.900 -2.560 -11.859 99 HG22 VAL 15 1HG2 VAL 15 13.893 -2.536 -10.402 100 HG23 VAL 15 2HG2 VAL 15 14.324 -1.523 -11.780 101 H SER 16 H SER 16 12.145 2.033 -11.498 102 HA SER 16 HA SER 16 10.351 2.973 -9.562 103 HB2 SER 16 2HB SER 16 12.091 4.360 -10.287 104 HB3 SER 16 1HB SER 16 11.699 4.121 -11.986 105 HG SER 16 HG SER 16 10.449 5.742 -10.051 106 H ALA 17 H ALA 17 9.745 2.455 -13.038 107 HA ALA 17 HA ALA 17 7.137 3.753 -13.042 108 HB1 ALA 17 1HB ALA 17 7.937 1.629 -14.995 109 HB2 ALA 17 2HB ALA 17 8.905 3.101 -14.921 110 HB3 ALA 17 3HB ALA 17 7.184 3.195 -15.295 111 H LYS 18 H LYS 18 8.249 0.399 -12.681 112 HA LYS 18 HA LYS 18 5.476 -0.636 -12.532 113 HB2 LYS 18 2HB LYS 18 8.200 -1.928 -12.144 114 HB3 LYS 18 1HB LYS 18 6.673 -2.797 -12.292 115 HG2 LYS 18 2HG LYS 18 7.647 -0.885 -14.421 116 HG3 LYS 18 1HG LYS 18 8.068 -2.598 -14.430 117 HD2 LYS 18 2HD LYS 18 5.806 -3.268 -14.674 118 HD3 LYS 18 1HD LYS 18 5.201 -1.676 -14.215 119 HE2 LYS 18 2HE LYS 18 6.081 -0.703 -16.287 120 HE3 LYS 18 1HE LYS 18 6.782 -2.268 -16.744 121 HZ1 LYS 18 3HZ LYS 18 4.545 -3.238 -16.563 122 HZ2 LYS 18 1HZ LYS 18 4.625 -2.043 -17.763 123 HZ3 LYS 18 2HZ LYS 18 3.904 -1.694 -16.265 124 H PHE 19 H PHE 19 8.160 0.170 -10.447 125 HA PHE 19 HA PHE 19 6.895 -0.952 -8.031 126 HB2 PHE 19 2HB PHE 19 9.451 -0.670 -8.914 127 HB3 PHE 19 1HB PHE 19 9.310 0.779 -7.920 128 HD1 PHE 19 2HD PHE 19 7.790 0.164 -5.657 129 HD2 PHE 19 1HD PHE 19 10.446 -2.440 -7.801 130 HE1 PHE 19 2HE PHE 19 8.082 -1.215 -3.614 131 HE2 PHE 19 1HE PHE 19 10.741 -3.820 -5.760 132 HZ PHE 19 HZ PHE 19 9.560 -3.208 -3.666 133 H ASP 20 H ASP 20 8.225 2.297 -8.892 134 HA ASP 20 HA ASP 20 6.776 3.624 -6.768 135 HB2 ASP 20 2HB ASP 20 8.810 4.180 -8.654 136 HB3 ASP 20 1HB ASP 20 7.533 5.353 -8.970 137 H THR 21 H THR 21 6.414 4.364 -10.252 138 HA THR 21 HA THR 21 3.810 5.468 -10.047 139 HB THR 21 HB THR 21 4.831 3.930 -12.438 140 HG1 THR 21 1HG THR 21 5.682 6.470 -11.511 141 HG21 THR 21 3HG2 THR 21 2.592 5.158 -12.399 142 HG22 THR 21 1HG2 THR 21 3.701 5.612 -13.694 143 HG23 THR 21 2HG2 THR 21 3.526 6.650 -12.278 144 H GLY 22 H GLY 22 4.834 2.117 -10.653 145 HA2 GLY 22 2HA GLY 22 2.256 1.024 -11.196 146 HA3 GLY 22 1HA GLY 22 3.631 0.106 -10.585 147 H VAL 23 H VAL 23 4.089 0.565 -8.147 148 HA VAL 23 HA VAL 23 1.844 -0.314 -6.634 149 HB VAL 23 HB VAL 23 4.340 1.136 -5.727 150 HG11 VAL 23 1HG1 VAL 23 2.666 -0.909 -4.263 151 HG12 VAL 23 2HG1 VAL 23 2.483 0.832 -4.045 152 HG13 VAL 23 3HG1 VAL 23 4.001 0.043 -3.613 153 HG21 VAL 23 3HG2 VAL 23 4.182 -1.221 -7.195 154 HG22 VAL 23 1HG2 VAL 23 4.280 -1.789 -5.529 155 HG23 VAL 23 2HG2 VAL 23 5.539 -0.739 -6.179 156 H ASP 24 H ASP 24 3.238 2.970 -6.980 157 HA ASP 24 HA ASP 24 1.531 4.331 -5.149 158 HB2 ASP 24 2HB ASP 24 3.555 5.248 -6.288 159 HB3 ASP 24 1HB ASP 24 2.665 5.268 -7.810 160 H ASN 25 H ASN 25 1.093 3.462 -8.570 161 HA ASN 25 HA ASN 25 -1.416 4.780 -8.995 162 HB2 ASN 25 2HB ASN 25 0.149 2.526 -10.203 163 HB3 ASN 25 1HB ASN 25 -1.532 2.721 -10.696 164 HD21 ASN 25 1HD2 ASN 25 -1.253 3.641 -12.779 165 HD22 ASN 25 2HD2 ASN 25 -0.434 5.101 -13.057 166 H LEU 26 H LEU 26 -0.581 1.493 -7.857 167 HA LEU 26 HA LEU 26 -3.302 0.567 -7.585 168 HB2 LEU 26 2HB LEU 26 -0.660 -0.390 -7.218 169 HB3 LEU 26 1HB LEU 26 -1.461 -0.584 -5.662 170 HG LEU 26 HG LEU 26 -2.532 -1.572 -8.312 171 HD11 LEU 26 1HD1 LEU 26 -2.178 -3.771 -6.745 172 HD12 LEU 26 2HD1 LEU 26 -0.823 -2.769 -6.228 173 HD13 LEU 26 3HD1 LEU 26 -0.999 -3.205 -7.927 174 HD21 LEU 26 3HD2 LEU 26 -3.739 -1.186 -5.681 175 HD22 LEU 26 1HD2 LEU 26 -3.858 -2.858 -6.230 176 HD23 LEU 26 2HD2 LEU 26 -4.512 -1.555 -7.222 177 H GLN 27 H GLN 27 -1.167 2.484 -5.533 178 HA GLN 27 HA GLN 27 -2.732 2.211 -3.100 179 HB2 GLN 27 2HB GLN 27 -0.233 3.030 -3.728 180 HB3 GLN 27 1HB GLN 27 -1.029 4.601 -3.622 181 HG2 GLN 27 2HG GLN 27 -1.779 4.143 -1.368 182 HG3 GLN 27 1HG GLN 27 -1.203 2.478 -1.467 183 HE21 GLN 27 1HE2 GLN 27 0.358 2.717 0.266 184 HE22 GLN 27 2HE2 GLN 27 1.745 3.680 0.098 185 H THR 28 H THR 28 -2.646 4.502 -5.812 186 HA THR 28 HA THR 28 -4.678 6.230 -4.542 187 HB THR 28 HB THR 28 -2.638 6.834 -6.116 188 HG1 THR 28 1HG THR 28 -5.190 7.978 -6.564 189 HG21 THR 28 3HG2 THR 28 -3.867 5.271 -7.923 190 HG22 THR 28 1HG2 THR 28 -2.924 6.682 -8.397 191 HG23 THR 28 2HG2 THR 28 -4.682 6.790 -8.289 192 H GLN 29 H GLN 29 -4.514 3.561 -6.805 193 HA GLN 29 HA GLN 29 -6.935 3.898 -8.234 194 HB2 GLN 29 2HB GLN 29 -4.918 1.919 -7.787 195 HB3 GLN 29 1HB GLN 29 -6.480 1.139 -7.589 196 HG2 GLN 29 2HG GLN 29 -5.566 2.750 -9.989 197 HG3 GLN 29 1HG GLN 29 -5.820 1.008 -9.932 198 HE21 GLN 29 1HE2 GLN 29 -8.330 1.400 -8.215 199 HE22 GLN 29 2HE2 GLN 29 -9.512 1.932 -9.307 200 H VAL 30 H VAL 30 -6.388 2.083 -5.160 201 HA VAL 30 HA VAL 30 -9.184 1.491 -4.788 202 HB VAL 30 HB VAL 30 -8.392 1.334 -2.295 203 HG11 VAL 30 1HG1 VAL 30 -8.100 -0.871 -2.714 204 HG12 VAL 30 2HG1 VAL 30 -6.834 -0.582 -3.907 205 HG13 VAL 30 3HG1 VAL 30 -8.530 -0.427 -4.365 206 HG21 VAL 30 3HG2 VAL 30 -6.213 2.660 -3.169 207 HG22 VAL 30 1HG2 VAL 30 -5.662 1.002 -3.406 208 HG23 VAL 30 2HG2 VAL 30 -6.171 1.541 -1.806 209 H THR 31 H THR 31 -7.149 4.269 -3.998 210 HA THR 31 HA THR 31 -8.948 5.652 -2.249 211 HB THR 31 HB THR 31 -7.270 6.978 -4.388 212 HG1 THR 31 1HG THR 31 -6.309 5.824 -1.984 213 HG21 THR 31 3HG2 THR 31 -8.153 7.574 -1.577 214 HG22 THR 31 1HG2 THR 31 -8.292 8.579 -3.019 215 HG23 THR 31 2HG2 THR 31 -6.723 8.363 -2.243 216 H GLU 32 H GLU 32 -8.583 5.585 -5.792 217 HA GLU 32 HA GLU 32 -10.830 7.260 -6.458 218 HB2 GLU 32 2HB GLU 32 -9.052 5.236 -7.738 219 HB3 GLU 32 1HB GLU 32 -10.617 5.472 -8.514 220 HG2 GLU 32 2HG GLU 32 -8.654 7.684 -7.856 221 HG3 GLU 32 1HG GLU 32 -8.879 6.970 -9.453 222 H ALA 33 H ALA 33 -10.373 3.752 -6.100 223 HA ALA 33 HA ALA 33 -13.025 2.850 -6.544 224 HB1 ALA 33 1HB ALA 33 -10.816 1.559 -6.209 225 HB2 ALA 33 2HB ALA 33 -12.233 0.858 -5.430 226 HB3 ALA 33 3HB ALA 33 -11.070 1.775 -4.481 227 H LEU 34 H LEU 34 -11.578 4.549 -3.848 228 HA LEU 34 HA LEU 34 -13.659 3.951 -1.891 229 HB2 LEU 34 2HB LEU 34 -11.093 4.962 -1.887 230 HB3 LEU 34 1HB LEU 34 -12.050 6.421 -1.630 231 HG LEU 34 HG LEU 34 -12.658 3.942 -0.042 232 HD11 LEU 34 1HD1 LEU 34 -10.120 4.842 -0.035 233 HD12 LEU 34 2HD1 LEU 34 -10.910 4.233 1.420 234 HD13 LEU 34 3HD1 LEU 34 -10.818 5.970 1.128 235 HD21 LEU 34 3HD2 LEU 34 -13.471 5.587 1.568 236 HD22 LEU 34 1HD2 LEU 34 -14.163 5.942 -0.014 237 HD23 LEU 34 2HD2 LEU 34 -12.818 6.905 0.595 238 H ASP 35 H ASP 35 -12.759 6.908 -3.711 239 HA ASP 35 HA ASP 35 -15.102 8.424 -3.082 240 HB2 ASP 35 2HB ASP 35 -13.131 8.397 -5.385 241 HB3 ASP 35 1HB ASP 35 -14.400 9.614 -5.252 242 H LYS 36 H LYS 36 -14.435 5.931 -5.465 243 HA LYS 36 HA LYS 36 -16.917 6.319 -6.974 244 HB2 LYS 36 2HB LYS 36 -14.433 5.141 -7.364 245 HB3 LYS 36 1HB LYS 36 -15.493 3.754 -7.171 246 HG2 LYS 36 2HG LYS 36 -16.274 4.042 -9.263 247 HG3 LYS 36 1HG LYS 36 -16.807 5.672 -8.855 248 HD2 LYS 36 2HD LYS 36 -15.216 5.738 -10.734 249 HD3 LYS 36 1HD LYS 36 -14.525 6.526 -9.316 250 HE2 LYS 36 2HE LYS 36 -12.873 4.963 -9.114 251 HE3 LYS 36 1HE LYS 36 -13.976 3.623 -9.481 252 HZ1 LYS 36 3HZ LYS 36 -12.912 5.578 -11.453 253 HZ2 LYS 36 1HZ LYS 36 -13.982 4.309 -11.801 254 HZ3 LYS 36 2HZ LYS 36 -12.398 3.967 -11.290 255 H LEU 37 H LEU 37 -15.663 4.190 -4.422 256 HA LEU 37 HA LEU 37 -17.798 2.309 -4.300 257 HB2 LEU 37 2HB LEU 37 -15.876 1.792 -3.053 258 HB3 LEU 37 1HB LEU 37 -15.736 3.426 -2.412 259 HG LEU 37 HG LEU 37 -17.670 3.053 -0.952 260 HD11 LEU 37 1HD1 LEU 37 -18.892 1.512 -2.470 261 HD12 LEU 37 2HD1 LEU 37 -18.761 0.862 -0.836 262 HD13 LEU 37 3HD1 LEU 37 -17.712 0.251 -2.115 263 HD21 LEU 37 3HD2 LEU 37 -15.505 2.419 -0.051 264 HD22 LEU 37 1HD2 LEU 37 -15.594 0.847 -0.844 265 HD23 LEU 37 2HD2 LEU 37 -16.701 1.233 0.473 266 H ALA 38 H ALA 38 -17.278 5.133 -2.172 267 HA ALA 38 HA ALA 38 -19.894 5.159 -1.034 268 HB1 ALA 38 1HB ALA 38 -17.569 6.998 -1.351 269 HB2 ALA 38 2HB ALA 38 -18.363 6.438 0.120 270 HB3 ALA 38 3HB ALA 38 -19.097 7.720 -0.845 271 H ALA 39 H ALA 39 -18.720 6.185 -4.151 272 HA ALA 39 HA ALA 39 -20.611 8.156 -4.934 273 HB1 ALA 39 1HB ALA 39 -19.731 7.718 -7.048 274 HB2 ALA 39 2HB ALA 39 -19.791 5.971 -6.815 275 HB3 ALA 39 3HB ALA 39 -18.510 6.915 -6.063 276 H LYS 40 H LYS 40 -20.711 4.665 -5.618 277 HA LYS 40 HA LYS 40 -23.616 4.753 -6.132 278 HB2 LYS 40 2HB LYS 40 -21.276 3.117 -6.746 279 HB3 LYS 40 1HB LYS 40 -22.613 2.115 -6.184 280 HG2 LYS 40 2HG LYS 40 -22.746 2.375 -8.609 281 HG3 LYS 40 1HG LYS 40 -24.099 3.215 -7.851 282 HD2 LYS 40 2HD LYS 40 -23.265 5.309 -8.358 283 HD3 LYS 40 1HD LYS 40 -21.588 4.765 -8.322 284 HE2 LYS 40 2HE LYS 40 -22.009 3.498 -10.456 285 HE3 LYS 40 1HE LYS 40 -23.620 4.242 -10.519 286 HZ1 LYS 40 3HZ LYS 40 -22.650 6.407 -10.491 287 HZ2 LYS 40 1HZ LYS 40 -21.885 5.528 -11.723 288 HZ3 LYS 40 2HZ LYS 40 -21.092 5.777 -10.240 289 HA PRO 41 HA PRO 41 -24.708 3.616 -1.984 290 HB2 PRO 41 2HB PRO 41 -26.840 1.901 -2.593 291 HB3 PRO 41 1HB PRO 41 -26.961 3.660 -2.403 292 HG2 PRO 41 2HG PRO 41 -26.834 2.030 -4.871 293 HG3 PRO 41 1HG PRO 41 -27.666 3.562 -4.565 294 HD2 PRO 41 2HD PRO 41 -25.376 3.392 -6.002 295 HD3 PRO 41 1HD PRO 41 -25.803 4.819 -5.031 296 H SER 42 H SER 42 -25.668 1.112 -1.123 297 HA SER 42 HA SER 42 -23.363 -0.514 -0.937 298 HB2 SER 42 2HB SER 42 -26.257 -0.702 -0.427 299 HB3 SER 42 1HB SER 42 -25.497 -2.262 -0.726 300 HG SER 42 HG SER 42 -24.109 -1.896 0.952 301 H ASP 43 H ASP 43 -22.409 -0.768 -3.045 302 HA ASP 43 HA ASP 43 -24.014 -2.360 -5.005 303 HB2 ASP 43 2HB ASP 43 -22.002 -0.171 -5.139 304 HB3 ASP 43 1HB ASP 43 -21.960 -1.364 -6.436 305 HA PRO 44 HA PRO 44 -21.115 -5.673 -4.625 306 HB2 PRO 44 2HB PRO 44 -21.399 -6.779 -7.118 307 HB3 PRO 44 1HB PRO 44 -22.628 -6.937 -5.851 308 HG2 PRO 44 2HG PRO 44 -22.586 -5.220 -8.247 309 HG3 PRO 44 1HG PRO 44 -23.958 -5.960 -7.411 310 HD2 PRO 44 2HD PRO 44 -23.206 -3.303 -7.220 311 HD3 PRO 44 1HD PRO 44 -24.244 -4.165 -6.066 312 H ALA 45 H ALA 45 -21.069 -3.925 -7.677 313 HA ALA 45 HA ALA 45 -18.439 -4.760 -8.493 314 HB1 ALA 45 1HB ALA 45 -18.922 -3.258 -10.305 315 HB2 ALA 45 2HB ALA 45 -20.104 -2.387 -9.328 316 HB3 ALA 45 3HB ALA 45 -20.431 -4.043 -9.840 317 H LEU 46 H LEU 46 -19.589 -1.505 -7.442 318 HA LEU 46 HA LEU 46 -17.132 -0.167 -7.374 319 HB2 LEU 46 2HB LEU 46 -19.774 0.006 -6.103 320 HB3 LEU 46 1HB LEU 46 -18.507 0.736 -5.129 321 HG LEU 46 HG LEU 46 -19.431 2.443 -6.573 322 HD11 LEU 46 1HD1 LEU 46 -16.856 1.644 -7.927 323 HD12 LEU 46 2HD1 LEU 46 -16.884 2.257 -6.274 324 HD13 LEU 46 3HD1 LEU 46 -17.469 3.262 -7.599 325 HD21 LEU 46 3HD2 LEU 46 -20.370 0.884 -8.268 326 HD22 LEU 46 1HD2 LEU 46 -18.744 0.626 -8.896 327 HD23 LEU 46 2HD2 LEU 46 -19.484 2.223 -8.997 328 H LEU 47 H LEU 47 -18.637 -1.764 -4.547 329 HA LEU 47 HA LEU 47 -16.444 -1.592 -2.757 330 HB2 LEU 47 2HB LEU 47 -18.988 -2.452 -2.666 331 HB3 LEU 47 1HB LEU 47 -18.189 -4.018 -2.798 332 HG LEU 47 HG LEU 47 -16.629 -2.926 -0.908 333 HD11 LEU 47 1HD1 LEU 47 -19.137 -1.332 -0.987 334 HD12 LEU 47 2HD1 LEU 47 -17.534 -0.879 -0.407 335 HD13 LEU 47 3HD1 LEU 47 -18.598 -1.853 0.609 336 HD21 LEU 47 3HD2 LEU 47 -18.096 -4.083 0.750 337 HD22 LEU 47 1HD2 LEU 47 -17.835 -5.049 -0.703 338 HD23 LEU 47 2HD2 LEU 47 -19.357 -4.189 -0.479 339 H ALA 48 H ALA 48 -17.383 -4.307 -4.893 340 HA ALA 48 HA ALA 48 -15.201 -6.052 -4.403 341 HB1 ALA 48 1HB ALA 48 -17.139 -6.717 -5.679 342 HB2 ALA 48 2HB ALA 48 -15.752 -6.808 -6.766 343 HB3 ALA 48 3HB ALA 48 -16.859 -5.438 -6.860 344 H ALA 49 H ALA 49 -15.474 -3.184 -6.398 345 HA ALA 49 HA ALA 49 -13.088 -3.533 -7.955 346 HB1 ALA 49 1HB ALA 49 -15.162 -1.980 -8.179 347 HB2 ALA 49 2HB ALA 49 -13.591 -1.341 -8.659 348 HB3 ALA 49 3HB ALA 49 -14.281 -0.904 -7.097 349 H TYR 50 H TYR 50 -13.680 -1.352 -5.122 350 HA TYR 50 HA TYR 50 -10.981 -0.599 -4.691 351 HB2 TYR 50 2HB TYR 50 -13.042 0.330 -3.621 352 HB3 TYR 50 1HB TYR 50 -13.151 -1.127 -2.640 353 HD1 TYR 50 1HD TYR 50 -10.907 -1.733 -1.307 354 HD2 TYR 50 2HD TYR 50 -11.948 2.165 -2.759 355 HE1 TYR 50 1HE TYR 50 -9.367 -0.707 0.330 356 HE2 TYR 50 2HE TYR 50 -10.409 3.195 -1.130 357 HH TYR 50 HH TYR 50 -9.356 2.661 0.992 358 H GLN 51 H GLN 51 -12.754 -3.490 -3.584 359 HA GLN 51 HA GLN 51 -10.626 -4.510 -1.903 360 HB2 GLN 51 2HB GLN 51 -12.982 -5.790 -3.329 361 HB3 GLN 51 1HB GLN 51 -11.999 -6.608 -2.115 362 HG2 GLN 51 2HG GLN 51 -12.566 -4.792 -0.494 363 HG3 GLN 51 1HG GLN 51 -13.646 -4.098 -1.703 364 HE21 GLN 51 1HE2 GLN 51 -15.565 -5.396 -2.333 365 HE22 GLN 51 2HE2 GLN 51 -16.148 -6.610 -1.302 366 H SER 52 H SER 52 -11.718 -5.281 -5.226 367 HA SER 52 HA SER 52 -9.872 -7.230 -5.991 368 HB2 SER 52 2HB SER 52 -11.795 -6.257 -7.301 369 HB3 SER 52 1HB SER 52 -10.808 -4.834 -7.615 370 HG SER 52 HG SER 52 -10.761 -6.510 -9.268 371 H LYS 53 H LYS 53 -9.464 -3.693 -6.023 372 HA LYS 53 HA LYS 53 -6.707 -3.796 -6.963 373 HB2 LYS 53 2HB LYS 53 -8.781 -1.843 -6.242 374 HB3 LYS 53 1HB LYS 53 -7.176 -1.336 -5.714 375 HG2 LYS 53 2HG LYS 53 -6.714 -0.715 -7.825 376 HG3 LYS 53 1HG LYS 53 -6.839 -2.399 -8.319 377 HD2 LYS 53 2HD LYS 53 -9.333 -2.083 -8.512 378 HD3 LYS 53 1HD LYS 53 -9.085 -0.363 -8.222 379 HE2 LYS 53 2HE LYS 53 -7.531 -0.310 -10.205 380 HE3 LYS 53 1HE LYS 53 -7.991 -1.991 -10.542 381 HZ1 LYS 53 3HZ LYS 53 -10.252 -1.382 -10.749 382 HZ2 LYS 53 1HZ LYS 53 -9.386 -0.264 -11.685 383 HZ3 LYS 53 2HZ LYS 53 -9.971 0.184 -10.154 384 H LEU 54 H LEU 54 -8.362 -3.787 -3.861 385 HA LEU 54 HA LEU 54 -6.145 -3.146 -2.157 386 HB2 LEU 54 2HB LEU 54 -8.714 -3.374 -1.745 387 HB3 LEU 54 1HB LEU 54 -8.364 -5.079 -1.481 388 HG LEU 54 HG LEU 54 -6.528 -4.227 0.141 389 HD11 LEU 54 1HD1 LEU 54 -7.710 -1.967 1.116 390 HD12 LEU 54 2HD1 LEU 54 -7.971 -1.755 -0.615 391 HD13 LEU 54 3HD1 LEU 54 -6.335 -1.957 0.012 392 HD21 LEU 54 3HD2 LEU 54 -9.419 -3.727 0.904 393 HD22 LEU 54 1HD2 LEU 54 -8.110 -4.262 1.959 394 HD23 LEU 54 2HD2 LEU 54 -8.737 -5.342 0.715 395 H SER 55 H SER 55 -7.604 -6.381 -2.653 396 HA SER 55 HA SER 55 -5.575 -7.977 -1.574 397 HB2 SER 55 2HB SER 55 -6.463 -9.628 -3.389 398 HB3 SER 55 1HB SER 55 -7.606 -8.997 -2.208 399 HG SER 55 HG SER 55 -8.646 -8.203 -3.840 400 H GLU 56 H GLU 56 -5.815 -6.711 -4.896 401 HA GLU 56 HA GLU 56 -3.426 -7.980 -5.902 402 HB2 GLU 56 2HB GLU 56 -5.373 -6.945 -7.180 403 HB3 GLU 56 1HB GLU 56 -4.704 -5.366 -6.764 404 HG2 GLU 56 2HG GLU 56 -3.708 -5.734 -8.833 405 HG3 GLU 56 1HG GLU 56 -2.479 -6.383 -7.746 406 H TYR 57 H TYR 57 -4.102 -4.942 -4.238 407 HA TYR 57 HA TYR 57 -1.493 -3.761 -4.662 408 HB2 TYR 57 2HB TYR 57 -3.556 -2.496 -4.201 409 HB3 TYR 57 1HB TYR 57 -3.665 -3.247 -2.612 410 HD1 TYR 57 2HD TYR 57 -0.632 -1.981 -4.427 411 HD2 TYR 57 1HD TYR 57 -3.322 -1.510 -1.119 412 HE1 TYR 57 2HE TYR 57 0.878 -0.280 -3.435 413 HE2 TYR 57 1HE TYR 57 -1.816 0.188 -0.120 414 HH TYR 57 HH TYR 57 1.371 0.692 -1.241 415 H ASN 58 H ASN 58 -3.013 -5.255 -1.764 416 HA ASN 58 HA ASN 58 -0.813 -5.128 -0.015 417 HB2 ASN 58 2HB ASN 58 -3.234 -6.808 -0.399 418 HB3 ASN 58 1HB ASN 58 -1.982 -7.517 0.622 419 HD21 ASN 58 1HD2 ASN 58 -4.740 -6.087 1.168 420 HD22 ASN 58 2HD2 ASN 58 -4.356 -5.008 2.421 421 H LEU 59 H LEU 59 -1.601 -7.630 -2.440 422 HA LEU 59 HA LEU 59 0.745 -9.265 -1.942 423 HB2 LEU 59 2HB LEU 59 -1.527 -9.778 -3.129 424 HB3 LEU 59 1HB LEU 59 -0.790 -9.031 -4.542 425 HG LEU 59 HG LEU 59 -0.502 -11.493 -4.552 426 HD11 LEU 59 1HD1 LEU 59 1.312 -9.679 -5.283 427 HD12 LEU 59 2HD1 LEU 59 1.657 -11.407 -5.359 428 HD13 LEU 59 3HD1 LEU 59 2.241 -10.451 -3.997 429 HD21 LEU 59 3HD2 LEU 59 0.667 -12.652 -2.857 430 HD22 LEU 59 1HD2 LEU 59 -0.375 -11.546 -1.964 431 HD23 LEU 59 2HD2 LEU 59 1.334 -11.167 -2.179 432 H TYR 60 H TYR 60 -0.074 -6.553 -4.036 433 HA TYR 60 HA TYR 60 2.046 -6.411 -5.860 434 HB2 TYR 60 2HB TYR 60 -0.020 -4.831 -4.942 435 HB3 TYR 60 1HB TYR 60 1.384 -3.892 -4.471 436 HD1 TYR 60 2HD TYR 60 0.332 -5.953 -7.436 437 HD2 TYR 60 1HD TYR 60 2.019 -2.287 -5.976 438 HE1 TYR 60 2HE TYR 60 0.525 -5.112 -9.758 439 HE2 TYR 60 1HE TYR 60 2.206 -1.445 -8.290 440 HH TYR 60 HH TYR 60 1.169 -1.853 -10.490 441 H ARG 61 H ARG 61 1.969 -4.902 -2.614 442 HA ARG 61 HA ARG 61 4.510 -3.837 -2.390 443 HB2 ARG 61 2HB ARG 61 2.903 -5.425 -0.367 444 HB3 ARG 61 1HB ARG 61 4.241 -4.355 0.050 445 HG2 ARG 61 2HG ARG 61 2.315 -3.039 -1.708 446 HG3 ARG 61 1HG ARG 61 1.559 -3.613 -0.222 447 HD2 ARG 61 2HD ARG 61 2.343 -1.484 0.414 448 HD3 ARG 61 1HD ARG 61 3.679 -2.532 0.932 449 HE ARG 61 HE ARG 61 4.296 -1.973 -1.703 450 HH11 ARG 61 1HH2 ARG 61 3.533 -0.031 1.086 451 HH12 ARG 61 2HH2 ARG 61 4.496 1.304 0.555 452 HH21 ARG 61 1HH1 ARG 61 5.538 -0.228 -2.368 453 HH22 ARG 61 2HH1 ARG 61 5.622 1.196 -1.385 454 H ASN 62 H ASN 62 3.675 -7.280 -1.857 455 HA ASN 62 HA ASN 62 6.430 -8.026 -1.223 456 HB2 ASN 62 2HB ASN 62 3.864 -9.515 -1.846 457 HB3 ASN 62 1HB ASN 62 5.368 -10.338 -1.425 458 HD21 ASN 62 1HD2 ASN 62 2.807 -8.235 -0.158 459 HD22 ASN 62 2HD2 ASN 62 3.242 -8.398 1.475 460 H ALA 63 H ALA 63 4.238 -8.727 -3.979 461 HA ALA 63 HA ALA 63 6.013 -10.084 -5.671 462 HB1 ALA 63 1HB ALA 63 3.752 -9.950 -6.303 463 HB2 ALA 63 2HB ALA 63 4.535 -8.885 -7.471 464 HB3 ALA 63 3HB ALA 63 3.698 -8.201 -6.078 465 H GLN 64 H GLN 64 5.252 -6.605 -6.080 466 HA GLN 64 HA GLN 64 7.288 -5.915 -7.871 467 HB2 GLN 64 2HB GLN 64 5.558 -4.604 -5.888 468 HB3 GLN 64 1HB GLN 64 7.043 -3.710 -6.210 469 HG2 GLN 64 2HG GLN 64 5.162 -4.731 -8.358 470 HG3 GLN 64 1HG GLN 64 5.177 -3.076 -7.750 471 HE21 GLN 64 1HE2 GLN 64 6.126 -4.610 -10.408 472 HE22 GLN 64 2HE2 GLN 64 7.604 -3.841 -10.734 473 H SER 65 H SER 65 7.535 -6.331 -4.363 474 HA SER 65 HA SER 65 10.218 -5.221 -4.134 475 HB2 SER 65 2HB SER 65 8.255 -6.732 -2.456 476 HB3 SER 65 1HB SER 65 9.934 -6.695 -1.923 477 HG SER 65 HG SER 65 9.050 -4.894 -1.068 478 H ASN 66 H ASN 66 8.851 -8.414 -4.741 479 HA ASN 66 HA ASN 66 11.466 -9.762 -4.460 480 HB2 ASN 66 2HB ASN 66 8.896 -10.487 -4.005 481 HB3 ASN 66 1HB ASN 66 9.090 -11.105 -5.644 482 HD21 ASN 66 1HD2 ASN 66 10.495 -12.923 -5.963 483 HD22 ASN 66 2HD2 ASN 66 11.245 -13.741 -4.678 484 H THR 67 H THR 67 9.467 -8.392 -6.983 485 HA THR 67 HA THR 67 10.839 -9.843 -9.155 486 HB THR 67 HB THR 67 9.307 -8.437 -10.538 487 HG1 THR 67 1HG THR 67 9.051 -6.584 -9.491 488 HG21 THR 67 3HG2 THR 67 8.335 -10.049 -8.209 489 HG22 THR 67 1HG2 THR 67 8.237 -10.403 -9.933 490 HG23 THR 67 2HG2 THR 67 7.151 -9.213 -9.215 491 H ALA 68 H ALA 68 10.716 -6.517 -7.846 492 HA ALA 68 HA ALA 68 12.380 -5.244 -9.769 493 HB1 ALA 68 1HB ALA 68 12.467 -3.505 -8.158 494 HB2 ALA 68 2HB ALA 68 12.379 -4.640 -6.810 495 HB3 ALA 68 3HB ALA 68 10.954 -4.340 -7.805 496 H LYS 69 H LYS 69 13.239 -7.003 -6.788 497 HA LYS 69 HA LYS 69 16.007 -6.453 -6.669 498 HB2 LYS 69 2HB LYS 69 14.209 -7.935 -5.281 499 HB3 LYS 69 1HB LYS 69 15.092 -9.223 -6.102 500 HG2 LYS 69 2HG LYS 69 16.479 -8.998 -4.288 501 HG3 LYS 69 1HG LYS 69 17.180 -7.727 -5.289 502 HD2 LYS 69 2HD LYS 69 15.384 -6.193 -4.180 503 HD3 LYS 69 1HD LYS 69 15.293 -7.463 -2.958 504 HE2 LYS 69 2HE LYS 69 17.627 -7.222 -2.409 505 HE3 LYS 69 1HE LYS 69 17.902 -6.158 -3.803 506 HZ1 LYS 69 3HZ LYS 69 16.032 -5.597 -1.560 507 HZ2 LYS 69 1HZ LYS 69 16.330 -4.581 -2.885 508 HZ3 LYS 69 2HZ LYS 69 17.561 -4.884 -1.754 509 H ALA 70 H ALA 70 14.508 -9.353 -8.166 510 HA ALA 70 HA ALA 70 16.889 -10.303 -9.430 511 HB1 ALA 70 1HB ALA 70 14.222 -10.738 -10.694 512 HB2 ALA 70 2HB ALA 70 14.392 -11.228 -9.009 513 HB3 ALA 70 3HB ALA 70 15.451 -11.918 -10.240 514 H PHE 71 H PHE 71 14.449 -7.959 -10.442 515 HA PHE 71 HA PHE 71 15.073 -7.778 -13.214 516 HB2 PHE 71 2HB PHE 71 13.359 -6.598 -11.389 517 HB3 PHE 71 1HB PHE 71 14.406 -5.256 -11.847 518 HD1 PHE 71 1HD PHE 71 11.947 -7.724 -13.042 519 HD2 PHE 71 2HD PHE 71 14.475 -4.431 -14.142 520 HE1 PHE 71 1HE PHE 71 10.726 -7.504 -15.191 521 HE2 PHE 71 2HE PHE 71 13.256 -4.212 -16.291 522 HZ PHE 71 HZ PHE 71 11.381 -5.748 -16.815 523 H LYS 72 H LYS 72 16.174 -5.563 -10.610 524 HA LYS 72 HA LYS 72 18.132 -4.210 -12.188 525 HB2 LYS 72 2HB LYS 72 18.952 -3.463 -9.969 526 HB3 LYS 72 1HB LYS 72 17.192 -3.407 -10.050 527 HG2 LYS 72 2HG LYS 72 16.997 -5.472 -8.814 528 HG3 LYS 72 1HG LYS 72 18.736 -5.752 -8.909 529 HD2 LYS 72 2HD LYS 72 18.785 -3.331 -7.755 530 HD3 LYS 72 1HD LYS 72 17.213 -3.873 -7.168 531 HE2 LYS 72 2HE LYS 72 18.371 -6.036 -6.437 532 HE3 LYS 72 1HE LYS 72 19.906 -5.197 -6.742 533 HZ1 LYS 72 3HZ LYS 72 19.306 -4.778 -4.489 534 HZ2 LYS 72 1HZ LYS 72 17.724 -4.343 -4.918 535 HZ3 LYS 72 2HZ LYS 72 19.027 -3.344 -5.355 536 H ASP 73 H ASP 73 18.244 -7.271 -10.472 537 HA ASP 73 HA ASP 73 21.136 -7.529 -10.416 538 HB2 ASP 73 2HB ASP 73 19.512 -8.688 -8.918 539 HB3 ASP 73 1HB ASP 73 18.933 -9.614 -10.304 540 H ILE 74 H ILE 74 18.618 -9.090 -12.447 541 HA ILE 74 HA ILE 74 20.212 -10.588 -14.183 542 HB ILE 74 HB ILE 74 17.724 -8.937 -14.740 543 HG12 ILE 74 2HG1 ILE 74 17.751 -11.899 -14.322 544 HG13 ILE 74 1HG1 ILE 74 17.928 -10.865 -12.905 545 HG21 ILE 74 1HG2 ILE 74 18.877 -11.299 -16.261 546 HG22 ILE 74 2HG2 ILE 74 18.839 -9.632 -16.837 547 HG23 ILE 74 3HG2 ILE 74 17.332 -10.516 -16.597 548 HD11 ILE 74 3HD1 ILE 74 15.877 -9.593 -13.763 549 HD12 ILE 74 1HD1 ILE 74 15.582 -11.217 -13.142 550 HD13 ILE 74 2HD1 ILE 74 15.642 -10.936 -14.882 551 H ASP 75 H ASP 75 19.448 -7.108 -14.438 552 HA ASP 75 HA ASP 75 20.681 -6.559 -16.938 553 HB2 ASP 75 2HB ASP 75 20.182 -5.030 -14.388 554 HB3 ASP 75 1HB ASP 75 21.008 -4.258 -15.741 555 H ALA 76 H ALA 76 22.052 -6.760 -13.670 556 HA ALA 76 HA ALA 76 24.649 -5.754 -14.131 557 HB1 ALA 76 1HB ALA 76 23.893 -8.129 -12.409 558 HB2 ALA 76 2HB ALA 76 23.511 -6.462 -11.978 559 HB3 ALA 76 3HB ALA 76 25.193 -6.972 -12.122 560 H ALA 77 H ALA 77 23.218 -8.762 -15.210 561 HA ALA 77 HA ALA 77 25.867 -9.921 -15.895 562 HB1 ALA 77 1HB ALA 77 24.373 -11.476 -14.931 563 HB2 ALA 77 2HB ALA 77 24.227 -11.797 -16.660 564 HB3 ALA 77 3HB ALA 77 22.996 -10.842 -15.834 565 H ILE 78 H ILE 78 23.244 -8.164 -17.364 566 HA ILE 78 HA ILE 78 23.683 -9.097 -20.089 567 HB ILE 78 HB ILE 78 22.339 -6.611 -18.977 568 HG12 ILE 78 2HG1 ILE 78 21.129 -9.278 -19.775 569 HG13 ILE 78 1HG1 ILE 78 21.473 -8.815 -18.109 570 HG21 ILE 78 1HG2 ILE 78 22.579 -6.215 -21.276 571 HG22 ILE 78 2HG2 ILE 78 21.003 -7.003 -21.191 572 HG23 ILE 78 3HG2 ILE 78 22.426 -7.923 -21.684 573 HD11 ILE 78 3HD1 ILE 78 19.303 -8.066 -18.209 574 HD12 ILE 78 1HD1 ILE 78 19.360 -7.819 -19.954 575 HD13 ILE 78 2HD1 ILE 78 20.092 -6.635 -18.873 576 H ILE 79 H ILE 79 25.473 -7.032 -18.051 577 HA ILE 79 HA ILE 79 26.622 -5.559 -20.393 578 HB ILE 79 HB ILE 79 26.663 -4.982 -17.410 579 HG12 ILE 79 2HG1 ILE 79 25.132 -3.635 -19.663 580 HG13 ILE 79 1HG1 ILE 79 24.426 -4.775 -18.518 581 HG21 ILE 79 1HG2 ILE 79 28.010 -3.776 -19.765 582 HG22 ILE 79 2HG2 ILE 79 28.486 -3.763 -18.068 583 HG23 ILE 79 3HG2 ILE 79 27.260 -2.637 -18.647 584 HD11 ILE 79 3HD1 ILE 79 25.021 -3.287 -16.648 585 HD12 ILE 79 1HD1 ILE 79 24.016 -2.438 -17.822 586 HD13 ILE 79 2HD1 ILE 79 25.755 -2.150 -17.779 587 H GLN 80 H GLN 80 27.411 -7.467 -17.501 588 HA GLN 80 HA GLN 80 30.294 -7.506 -18.192 589 HB2 GLN 80 2HB GLN 80 28.512 -8.350 -15.928 590 HB3 GLN 80 1HB GLN 80 30.103 -9.100 -16.069 591 HG2 GLN 80 2HG GLN 80 30.003 -6.141 -16.361 592 HG3 GLN 80 1HG GLN 80 29.709 -6.785 -14.745 593 HE21 GLN 80 1HE2 GLN 80 31.468 -7.927 -13.677 594 HE22 GLN 80 2HE2 GLN 80 33.057 -7.871 -14.273 595 H ASN 81 H ASN 81 27.442 -9.573 -18.255 596 HA ASN 81 HA ASN 81 29.059 -11.795 -19.458 597 HB2 ASN 81 2HB ASN 81 26.740 -11.567 -17.614 598 HB3 ASN 81 1HB ASN 81 26.638 -12.867 -18.801 599 HD21 ASN 81 1HD2 ASN 81 28.063 -14.674 -18.555 600 HD22 ASN 81 2HD2 ASN 81 29.138 -14.832 -17.252 601 H PHE 82 H PHE 82 26.939 -9.305 -20.262 602 HA PHE 82 HA PHE 82 25.708 -8.783 -22.158 603 HB2 PHE 82 2HB PHE 82 26.685 -9.470 -24.104 604 HB3 PHE 82 1HB PHE 82 27.901 -10.105 -23.011 605 HD1 PHE 82 2HD PHE 82 24.643 -11.150 -24.597 606 HD2 PHE 82 1HD PHE 82 28.564 -12.325 -23.291 607 HE1 PHE 82 2HE PHE 82 24.276 -13.414 -25.531 608 HE2 PHE 82 1HE PHE 82 28.199 -14.586 -24.239 609 HZ PHE 82 HZ PHE 82 26.054 -15.132 -25.355 610 H ARG 83 H ARG 83 25.309 -11.872 -20.636 611 HA ARG 83 HA ARG 83 23.505 -13.372 -20.553 612 HB2 ARG 83 2HB ARG 83 22.419 -10.566 -20.618 613 HB3 ARG 83 1HB ARG 83 21.356 -11.949 -20.353 614 HG2 ARG 83 2HG ARG 83 23.864 -11.520 -18.729 615 HG3 ARG 83 1HG ARG 83 22.311 -10.831 -18.252 616 HD2 ARG 83 2HD ARG 83 22.825 -13.789 -18.738 617 HD3 ARG 83 1HD ARG 83 22.680 -13.020 -17.145 618 HE ARG 83 HE ARG 83 20.398 -12.184 -18.457 619 HH11 ARG 83 1HH2 ARG 83 21.857 -15.290 -17.853 620 HH12 ARG 83 2HH2 ARG 83 20.340 -16.121 -17.841 621 HH21 ARG 83 1HH1 ARG 83 18.446 -13.287 -18.434 622 HH22 ARG 83 2HH1 ARG 83 18.423 -14.997 -18.167 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 14.162 -7.602 -28.897 2 H2 GLY 1 2HT GLY 1 15.553 -7.114 -29.741 3 H3 GLY 1 3HT GLY 1 14.103 -7.397 -30.580 4 HA2 GLY 1 2HA GLY 1 14.647 -5.001 -30.236 5 HA3 GLY 1 1HA GLY 1 13.065 -5.506 -29.638 6 H SER 2 H SER 2 12.640 -4.655 -27.671 7 HA SER 2 HA SER 2 14.727 -4.755 -25.559 8 HB2 SER 2 2HB SER 2 13.568 -2.332 -26.877 9 HB3 SER 2 1HB SER 2 13.908 -2.249 -25.150 10 HG SER 2 HG SER 2 15.849 -1.809 -25.870 11 H HIS 3 H HIS 3 13.797 -5.152 -23.562 12 HA HIS 3 HA HIS 3 10.804 -5.155 -23.428 13 HB2 HIS 3 2HB HIS 3 13.038 -6.815 -22.329 14 HB3 HIS 3 1HB HIS 3 11.559 -6.696 -21.375 15 HD1 HIS 3 1HD HIS 3 10.533 -8.965 -21.845 16 HD2 HIS 3 2HD HIS 3 11.617 -6.960 -25.335 17 HE1 HIS 3 1HE HIS 3 9.594 -10.318 -23.770 18 H MET 4 H MET 4 12.009 -2.665 -23.022 19 HA MET 4 HA MET 4 12.173 -0.901 -21.457 20 HB2 MET 4 2HB MET 4 10.174 -2.863 -20.360 21 HB3 MET 4 1HB MET 4 10.590 -1.430 -19.419 22 HG2 MET 4 2HG MET 4 9.847 0.040 -21.140 23 HG3 MET 4 1HG MET 4 9.774 -1.264 -22.325 24 HE1 MET 4 3HE MET 4 6.482 -2.331 -22.475 25 HE2 MET 4 1HE MET 4 7.674 -3.480 -21.852 26 HE3 MET 4 2HE MET 4 8.155 -2.255 -23.022 27 H ALA 5 H ALA 5 14.490 -1.565 -21.096 28 HA ALA 5 HA ALA 5 15.030 -1.931 -18.251 29 HB1 ALA 5 1HB ALA 5 15.623 -4.147 -18.247 30 HB2 ALA 5 2HB ALA 5 16.278 -4.073 -19.883 31 HB3 ALA 5 3HB ALA 5 14.538 -4.223 -19.635 32 H THR 6 H THR 6 16.466 -0.199 -18.268 33 HA THR 6 HA THR 6 18.504 0.024 -20.407 34 HB THR 6 HB THR 6 18.993 2.148 -19.046 35 HG1 THR 6 1HG THR 6 17.206 2.641 -17.612 36 HG21 THR 6 3HG2 THR 6 16.923 3.257 -19.831 37 HG22 THR 6 1HG2 THR 6 16.185 1.676 -20.086 38 HG23 THR 6 2HG2 THR 6 17.577 2.165 -21.051 39 HA PRO 7 HA PRO 7 21.659 -1.898 -17.997 40 HB2 PRO 7 2HB PRO 7 23.870 -0.559 -18.947 41 HB3 PRO 7 1HB PRO 7 23.047 -1.853 -19.836 42 HG2 PRO 7 2HG PRO 7 22.877 1.090 -20.191 43 HG3 PRO 7 1HG PRO 7 22.838 -0.200 -21.401 44 HD2 PRO 7 2HD PRO 7 20.619 1.133 -20.542 45 HD3 PRO 7 1HD PRO 7 20.590 -0.531 -21.166 46 H TRP 8 H TRP 8 23.371 -1.331 -16.365 47 HA TRP 8 HA TRP 8 23.680 -0.284 -14.250 48 HB2 TRP 8 2HB TRP 8 24.630 2.159 -14.893 49 HB3 TRP 8 1HB TRP 8 25.544 0.681 -15.147 50 HD1 TRP 8 HD TRP 8 23.235 3.094 -17.082 51 HE1 TRP 8 1HE TRP 8 23.895 3.011 -19.573 52 HE3 TRP 8 3HE TRP 8 26.776 -0.582 -16.933 53 HZ2 TRP 8 2HZ TRP 8 25.693 1.577 -21.275 54 HZ3 TRP 8 3HZ TRP 8 27.949 -1.281 -19.000 55 HH2 TRP 8 HH TRP 8 27.413 -0.207 -21.169 56 H SER 9 H SER 9 20.902 -0.084 -14.916 57 HA SER 9 HA SER 9 20.281 2.508 -13.563 58 HB2 SER 9 2HB SER 9 19.723 3.069 -15.749 59 HB3 SER 9 1HB SER 9 19.354 1.405 -16.188 60 HG SER 9 HG SER 9 17.357 1.867 -15.772 61 H GLY 10 H GLY 10 17.956 0.180 -14.872 62 HA2 GLY 10 2HA GLY 10 16.465 -1.283 -13.812 63 HA3 GLY 10 1HA GLY 10 17.611 -1.363 -12.472 64 H TYR 11 H TYR 11 17.630 0.638 -11.052 65 HA TYR 11 HA TYR 11 14.834 1.329 -10.366 66 HB2 TYR 11 2HB TYR 11 17.524 1.326 -9.074 67 HB3 TYR 11 1HB TYR 11 16.320 2.445 -8.433 68 HD1 TYR 11 2HD TYR 11 16.659 -1.134 -9.507 69 HD2 TYR 11 1HD TYR 11 14.793 1.673 -6.845 70 HE1 TYR 11 2HE TYR 11 15.558 -3.005 -8.306 71 HE2 TYR 11 1HE TYR 11 13.692 -0.196 -5.644 72 HH TYR 11 HH TYR 11 13.975 -2.571 -5.289 73 H LEU 12 H LEU 12 17.502 2.781 -12.009 74 HA LEU 12 HA LEU 12 17.204 5.532 -11.372 75 HB2 LEU 12 2HB LEU 12 18.304 3.839 -13.523 76 HB3 LEU 12 1HB LEU 12 17.873 5.468 -14.043 77 HG LEU 12 HG LEU 12 19.155 6.308 -11.997 78 HD11 LEU 12 1HD1 LEU 12 19.143 3.734 -11.201 79 HD12 LEU 12 2HD1 LEU 12 20.405 4.867 -10.715 80 HD13 LEU 12 3HD1 LEU 12 20.687 3.755 -12.054 81 HD21 LEU 12 3HD2 LEU 12 21.259 6.250 -13.170 82 HD22 LEU 12 1HD2 LEU 12 19.992 6.282 -14.396 83 HD23 LEU 12 2HD2 LEU 12 20.812 4.768 -14.015 84 H ASP 13 H ASP 13 15.234 3.422 -13.381 85 HA ASP 13 HA ASP 13 13.085 5.393 -13.505 86 HB2 ASP 13 2HB ASP 13 15.093 5.090 -15.653 87 HB3 ASP 13 1HB ASP 13 13.419 5.056 -16.209 88 H ASP 14 H ASP 14 14.466 2.412 -14.884 89 HA ASP 14 HA ASP 14 12.181 1.200 -15.972 90 HB2 ASP 14 2HB ASP 14 14.758 0.367 -14.782 91 HB3 ASP 14 1HB ASP 14 13.531 -0.896 -14.899 92 H VAL 15 H VAL 15 13.398 -0.036 -12.936 93 HA VAL 15 HA VAL 15 11.044 -1.198 -11.992 94 HB VAL 15 HB VAL 15 13.272 0.166 -10.464 95 HG11 VAL 15 1HG1 VAL 15 12.687 -1.713 -8.817 96 HG12 VAL 15 2HG1 VAL 15 11.184 -1.871 -9.726 97 HG13 VAL 15 3HG1 VAL 15 11.569 -0.353 -8.918 98 HG21 VAL 15 3HG2 VAL 15 13.429 -2.723 -10.751 99 HG22 VAL 15 1HG2 VAL 15 14.628 -1.496 -11.158 100 HG23 VAL 15 2HG2 VAL 15 13.384 -1.934 -12.327 101 H SER 16 H SER 16 12.147 2.136 -11.597 102 HA SER 16 HA SER 16 10.364 3.062 -9.639 103 HB2 SER 16 2HB SER 16 12.080 4.466 -10.382 104 HB3 SER 16 1HB SER 16 11.685 4.209 -12.078 105 HG SER 16 HG SER 16 10.659 6.043 -11.829 106 H ALA 17 H ALA 17 9.744 2.543 -13.115 107 HA ALA 17 HA ALA 17 7.117 3.799 -13.104 108 HB1 ALA 17 1HB ALA 17 7.092 3.116 -15.360 109 HB2 ALA 17 2HB ALA 17 8.075 1.689 -15.031 110 HB3 ALA 17 3HB ALA 17 8.814 3.290 -15.016 111 H LYS 18 H LYS 18 8.264 0.450 -12.775 112 HA LYS 18 HA LYS 18 5.503 -0.611 -12.604 113 HB2 LYS 18 2HB LYS 18 8.239 -1.881 -12.220 114 HB3 LYS 18 1HB LYS 18 6.718 -2.760 -12.379 115 HG2 LYS 18 2HG LYS 18 7.831 -0.880 -14.483 116 HG3 LYS 18 1HG LYS 18 8.008 -2.635 -14.523 117 HD2 LYS 18 2HD LYS 18 5.512 -2.838 -14.452 118 HD3 LYS 18 1HD LYS 18 5.404 -1.082 -14.573 119 HE2 LYS 18 2HE LYS 18 7.122 -2.411 -16.608 120 HE3 LYS 18 1HE LYS 18 5.373 -2.680 -16.757 121 HZ1 LYS 18 3HZ LYS 18 6.621 -0.017 -16.342 122 HZ2 LYS 18 1HZ LYS 18 4.983 -0.337 -16.646 123 HZ3 LYS 18 2HZ LYS 18 6.141 -0.613 -17.859 124 H PHE 19 H PHE 19 8.205 0.186 -10.535 125 HA PHE 19 HA PHE 19 6.964 -0.936 -8.112 126 HB2 PHE 19 2HB PHE 19 9.500 -0.676 -8.995 127 HB3 PHE 19 1HB PHE 19 9.376 0.816 -8.065 128 HD1 PHE 19 2HD PHE 19 7.855 0.286 -5.767 129 HD2 PHE 19 1HD PHE 19 10.531 -2.378 -7.810 130 HE1 PHE 19 2HE PHE 19 8.168 -1.002 -3.669 131 HE2 PHE 19 1HE PHE 19 10.847 -3.668 -5.713 132 HZ PHE 19 HZ PHE 19 9.665 -2.980 -3.643 133 H ASP 20 H ASP 20 8.270 2.326 -8.954 134 HA ASP 20 HA ASP 20 6.826 3.631 -6.816 135 HB2 ASP 20 2HB ASP 20 8.840 4.211 -8.720 136 HB3 ASP 20 1HB ASP 20 7.556 5.386 -9.004 137 H THR 21 H THR 21 6.434 4.397 -10.291 138 HA THR 21 HA THR 21 3.831 5.493 -10.059 139 HB THR 21 HB THR 21 5.107 4.019 -12.388 140 HG1 THR 21 1HG THR 21 6.331 5.703 -12.577 141 HG21 THR 21 3HG2 THR 21 2.691 5.720 -12.067 142 HG22 THR 21 1HG2 THR 21 3.006 4.416 -13.212 143 HG23 THR 21 2HG2 THR 21 3.684 6.020 -13.493 144 H GLY 22 H GLY 22 4.855 2.147 -10.696 145 HA2 GLY 22 2HA GLY 22 2.283 1.045 -11.228 146 HA3 GLY 22 1HA GLY 22 3.658 0.134 -10.612 147 H VAL 23 H VAL 23 4.110 0.578 -8.182 148 HA VAL 23 HA VAL 23 1.869 -0.290 -6.663 149 HB VAL 23 HB VAL 23 4.384 1.152 -5.790 150 HG11 VAL 23 1HG1 VAL 23 2.550 0.922 -4.076 151 HG12 VAL 23 2HG1 VAL 23 4.050 0.097 -3.651 152 HG13 VAL 23 3HG1 VAL 23 2.679 -0.827 -4.267 153 HG21 VAL 23 3HG2 VAL 23 4.240 -1.177 -7.236 154 HG22 VAL 23 1HG2 VAL 23 4.196 -1.789 -5.584 155 HG23 VAL 23 2HG2 VAL 23 5.544 -0.786 -6.117 156 H ASP 24 H ASP 24 3.227 2.991 -7.084 157 HA ASP 24 HA ASP 24 1.537 4.362 -5.235 158 HB2 ASP 24 2HB ASP 24 3.567 5.251 -6.416 159 HB3 ASP 24 1HB ASP 24 2.631 5.303 -7.910 160 H ASN 25 H ASN 25 1.092 3.463 -8.645 161 HA ASN 25 HA ASN 25 -1.419 4.775 -9.082 162 HB2 ASN 25 2HB ASN 25 0.055 3.852 -10.845 163 HB3 ASN 25 1HB ASN 25 -0.249 2.220 -10.246 164 HD21 ASN 25 1HD2 ASN 25 -1.174 4.221 -12.692 165 HD22 ASN 25 2HD2 ASN 25 -2.766 3.683 -12.932 166 H LEU 26 H LEU 26 -0.597 1.480 -7.942 167 HA LEU 26 HA LEU 26 -3.323 0.579 -7.655 168 HB2 LEU 26 2HB LEU 26 -0.698 -0.410 -7.324 169 HB3 LEU 26 1HB LEU 26 -1.464 -0.582 -5.748 170 HG LEU 26 HG LEU 26 -2.614 -1.576 -8.362 171 HD11 LEU 26 1HD1 LEU 26 -2.248 -3.780 -6.843 172 HD12 LEU 26 2HD1 LEU 26 -0.902 -2.792 -6.278 173 HD13 LEU 26 3HD1 LEU 26 -1.045 -3.190 -7.988 174 HD21 LEU 26 3HD2 LEU 26 -3.892 -2.834 -6.232 175 HD22 LEU 26 1HD2 LEU 26 -4.563 -1.537 -7.220 176 HD23 LEU 26 2HD2 LEU 26 -3.746 -1.157 -5.704 177 H GLN 27 H GLN 27 -1.160 2.467 -5.604 178 HA GLN 27 HA GLN 27 -2.707 2.198 -3.163 179 HB2 GLN 27 2HB GLN 27 -0.215 3.025 -3.810 180 HB3 GLN 27 1HB GLN 27 -1.016 4.593 -3.700 181 HG2 GLN 27 2HG GLN 27 -1.710 4.177 -1.440 182 HG3 GLN 27 1HG GLN 27 -1.223 2.485 -1.538 183 HE21 GLN 27 1HE2 GLN 27 -0.234 4.875 0.192 184 HE22 GLN 27 2HE2 GLN 27 1.453 4.827 0.002 185 H THR 28 H THR 28 -2.634 4.515 -5.860 186 HA THR 28 HA THR 28 -4.670 6.221 -4.574 187 HB THR 28 HB THR 28 -2.644 6.841 -6.158 188 HG1 THR 28 1HG THR 28 -4.202 8.292 -5.331 189 HG21 THR 28 3HG2 THR 28 -2.938 6.690 -8.437 190 HG22 THR 28 1HG2 THR 28 -4.694 6.796 -8.323 191 HG23 THR 28 2HG2 THR 28 -3.878 5.277 -7.964 192 H GLN 29 H GLN 29 -4.511 3.559 -6.849 193 HA GLN 29 HA GLN 29 -6.946 3.894 -8.255 194 HB2 GLN 29 2HB GLN 29 -4.915 1.920 -7.833 195 HB3 GLN 29 1HB GLN 29 -6.475 1.133 -7.643 196 HG2 GLN 29 2HG GLN 29 -5.565 2.774 -10.025 197 HG3 GLN 29 1HG GLN 29 -5.817 1.031 -9.987 198 HE21 GLN 29 1HE2 GLN 29 -8.328 1.419 -8.256 199 HE22 GLN 29 2HE2 GLN 29 -9.510 1.951 -9.347 200 H VAL 30 H VAL 30 -6.359 2.064 -5.201 201 HA VAL 30 HA VAL 30 -9.152 1.461 -4.811 202 HB VAL 30 HB VAL 30 -8.328 1.264 -2.327 203 HG11 VAL 30 1HG1 VAL 30 -8.521 -0.465 -4.417 204 HG12 VAL 30 2HG1 VAL 30 -8.060 -0.938 -2.783 205 HG13 VAL 30 3HG1 VAL 30 -6.818 -0.640 -3.999 206 HG21 VAL 30 3HG2 VAL 30 -5.620 0.924 -3.493 207 HG22 VAL 30 1HG2 VAL 30 -6.096 1.437 -1.874 208 HG23 VAL 30 2HG2 VAL 30 -6.152 2.583 -3.213 209 H THR 31 H THR 31 -7.113 4.229 -4.011 210 HA THR 31 HA THR 31 -8.893 5.580 -2.213 211 HB THR 31 HB THR 31 -7.216 6.915 -4.354 212 HG1 THR 31 1HG THR 31 -5.480 6.613 -2.793 213 HG21 THR 31 3HG2 THR 31 -8.647 8.162 -2.616 214 HG22 THR 31 1HG2 THR 31 -6.953 8.635 -2.747 215 HG23 THR 31 2HG2 THR 31 -7.477 7.592 -1.426 216 H GLU 32 H GLU 32 -8.561 5.563 -5.759 217 HA GLU 32 HA GLU 32 -10.812 7.245 -6.386 218 HB2 GLU 32 2HB GLU 32 -9.043 5.240 -7.702 219 HB3 GLU 32 1HB GLU 32 -10.618 5.470 -8.460 220 HG2 GLU 32 2HG GLU 32 -8.663 7.691 -7.807 221 HG3 GLU 32 1HG GLU 32 -8.898 6.987 -9.407 222 H ALA 33 H ALA 33 -10.359 3.732 -6.073 223 HA ALA 33 HA ALA 33 -13.020 2.846 -6.501 224 HB1 ALA 33 1HB ALA 33 -10.832 1.528 -6.229 225 HB2 ALA 33 2HB ALA 33 -12.227 0.838 -5.403 226 HB3 ALA 33 3HB ALA 33 -11.024 1.743 -4.493 227 H LEU 34 H LEU 34 -11.535 4.498 -3.800 228 HA LEU 34 HA LEU 34 -13.585 3.888 -1.819 229 HB2 LEU 34 2HB LEU 34 -11.066 4.753 -1.681 230 HB3 LEU 34 1HB LEU 34 -11.843 6.335 -1.760 231 HG LEU 34 HG LEU 34 -13.368 5.520 0.127 232 HD11 LEU 34 1HD1 LEU 34 -12.496 3.081 -0.353 233 HD12 LEU 34 2HD1 LEU 34 -12.845 3.576 1.304 234 HD13 LEU 34 3HD1 LEU 34 -11.180 3.552 0.723 235 HD21 LEU 34 3HD2 LEU 34 -11.520 7.111 0.490 236 HD22 LEU 34 1HD2 LEU 34 -10.387 5.769 0.646 237 HD23 LEU 34 2HD2 LEU 34 -11.654 5.999 1.852 238 H ASP 35 H ASP 35 -12.732 6.861 -3.629 239 HA ASP 35 HA ASP 35 -15.084 8.350 -2.965 240 HB2 ASP 35 2HB ASP 35 -12.962 9.236 -3.945 241 HB3 ASP 35 1HB ASP 35 -13.351 8.424 -5.462 242 H LYS 36 H LYS 36 -14.415 5.889 -5.383 243 HA LYS 36 HA LYS 36 -16.902 6.287 -6.879 244 HB2 LYS 36 2HB LYS 36 -14.421 5.118 -7.291 245 HB3 LYS 36 1HB LYS 36 -15.471 3.724 -7.095 246 HG2 LYS 36 2HG LYS 36 -16.268 4.014 -9.181 247 HG3 LYS 36 1HG LYS 36 -16.811 5.639 -8.761 248 HD2 LYS 36 2HD LYS 36 -15.238 5.729 -10.651 249 HD3 LYS 36 1HD LYS 36 -14.536 6.509 -9.234 250 HE2 LYS 36 2HE LYS 36 -12.872 4.958 -9.064 251 HE3 LYS 36 1HE LYS 36 -13.973 3.612 -9.420 252 HZ1 LYS 36 3HZ LYS 36 -12.373 4.035 -11.235 253 HZ2 LYS 36 1HZ LYS 36 -13.025 5.590 -11.426 254 HZ3 LYS 36 2HZ LYS 36 -13.988 4.223 -11.728 255 H LEU 37 H LEU 37 -15.639 4.135 -4.351 256 HA LEU 37 HA LEU 37 -17.777 2.254 -4.238 257 HB2 LEU 37 2HB LEU 37 -15.843 1.718 -3.014 258 HB3 LEU 37 1HB LEU 37 -15.696 3.343 -2.354 259 HG LEU 37 HG LEU 37 -17.621 2.954 -0.884 260 HD11 LEU 37 1HD1 LEU 37 -17.683 0.212 -2.181 261 HD12 LEU 37 2HD1 LEU 37 -18.918 1.464 -2.325 262 HD13 LEU 37 3HD1 LEU 37 -18.633 0.682 -0.771 263 HD21 LEU 37 3HD2 LEU 37 -16.632 0.923 0.393 264 HD22 LEU 37 1HD2 LEU 37 -15.599 2.334 0.160 265 HD23 LEU 37 2HD2 LEU 37 -15.399 0.915 -0.868 266 H ALA 38 H ALA 38 -17.232 5.045 -2.073 267 HA ALA 38 HA ALA 38 -19.841 5.064 -0.918 268 HB1 ALA 38 1HB ALA 38 -19.064 7.595 -0.638 269 HB2 ALA 38 2HB ALA 38 -17.544 6.954 -1.262 270 HB3 ALA 38 3HB ALA 38 -18.236 6.297 0.221 271 H ALA 39 H ALA 39 -18.681 6.132 -4.025 272 HA ALA 39 HA ALA 39 -20.568 8.117 -4.772 273 HB1 ALA 39 1HB ALA 39 -18.484 6.777 -5.914 274 HB2 ALA 39 2HB ALA 39 -19.614 7.757 -6.846 275 HB3 ALA 39 3HB ALA 39 -19.834 6.010 -6.746 276 H LYS 40 H LYS 40 -20.688 4.649 -5.561 277 HA LYS 40 HA LYS 40 -23.595 4.756 -6.037 278 HB2 LYS 40 2HB LYS 40 -21.267 3.106 -6.680 279 HB3 LYS 40 1HB LYS 40 -22.623 2.114 -6.146 280 HG2 LYS 40 2HG LYS 40 -22.740 2.428 -8.566 281 HG3 LYS 40 1HG LYS 40 -24.082 3.279 -7.798 282 HD2 LYS 40 2HD LYS 40 -22.829 5.393 -7.921 283 HD3 LYS 40 1HD LYS 40 -21.467 4.551 -8.661 284 HE2 LYS 40 2HE LYS 40 -22.527 4.349 -10.702 285 HE3 LYS 40 1HE LYS 40 -24.137 4.222 -9.967 286 HZ1 LYS 40 3HZ LYS 40 -22.459 6.662 -10.191 287 HZ2 LYS 40 1HZ LYS 40 -23.873 6.574 -9.258 288 HZ3 LYS 40 2HZ LYS 40 -23.956 6.377 -10.944 289 HA PRO 41 HA PRO 41 -24.680 3.556 -1.909 290 HB2 PRO 41 2HB PRO 41 -26.819 1.857 -2.537 291 HB3 PRO 41 1HB PRO 41 -26.934 3.613 -2.319 292 HG2 PRO 41 2HG PRO 41 -26.818 2.021 -4.813 293 HG3 PRO 41 1HG PRO 41 -27.645 3.551 -4.481 294 HD2 PRO 41 2HD PRO 41 -25.360 3.397 -5.927 295 HD3 PRO 41 1HD PRO 41 -25.779 4.809 -4.932 296 H SER 42 H SER 42 -25.646 1.045 -1.079 297 HA SER 42 HA SER 42 -23.347 -0.590 -0.919 298 HB2 SER 42 2HB SER 42 -25.312 -0.792 0.532 299 HB3 SER 42 1HB SER 42 -26.304 -1.289 -0.836 300 HG SER 42 HG SER 42 -25.673 -3.227 -0.346 301 H ASP 43 H ASP 43 -22.395 -0.826 -3.028 302 HA ASP 43 HA ASP 43 -24.007 -2.392 -5.005 303 HB2 ASP 43 2HB ASP 43 -21.978 -0.211 -5.125 304 HB3 ASP 43 1HB ASP 43 -21.982 -1.379 -6.447 305 HA PRO 44 HA PRO 44 -21.100 -5.706 -4.668 306 HB2 PRO 44 2HB PRO 44 -21.393 -6.784 -7.172 307 HB3 PRO 44 1HB PRO 44 -22.612 -6.963 -5.900 308 HG2 PRO 44 2HG PRO 44 -22.595 -5.220 -8.275 309 HG3 PRO 44 1HG PRO 44 -23.958 -5.974 -7.439 310 HD2 PRO 44 2HD PRO 44 -23.217 -3.317 -7.226 311 HD3 PRO 44 1HD PRO 44 -24.242 -4.195 -6.073 312 H ALA 45 H ALA 45 -21.078 -3.938 -7.708 313 HA ALA 45 HA ALA 45 -18.453 -4.750 -8.550 314 HB1 ALA 45 1HB ALA 45 -19.910 -2.281 -9.416 315 HB2 ALA 45 2HB ALA 45 -20.598 -3.874 -9.733 316 HB3 ALA 45 3HB ALA 45 -19.020 -3.447 -10.394 317 H LEU 46 H LEU 46 -19.595 -1.511 -7.440 318 HA LEU 46 HA LEU 46 -17.135 -0.177 -7.371 319 HB2 LEU 46 2HB LEU 46 -19.769 -0.017 -6.081 320 HB3 LEU 46 1HB LEU 46 -18.494 0.698 -5.105 321 HG LEU 46 HG LEU 46 -19.424 2.426 -6.523 322 HD11 LEU 46 1HD1 LEU 46 -16.861 1.642 -7.904 323 HD12 LEU 46 2HD1 LEU 46 -16.875 2.227 -6.240 324 HD13 LEU 46 3HD1 LEU 46 -17.466 3.256 -7.543 325 HD21 LEU 46 3HD2 LEU 46 -18.958 0.418 -8.728 326 HD22 LEU 46 1HD2 LEU 46 -19.191 2.136 -9.055 327 HD23 LEU 46 2HD2 LEU 46 -20.468 1.208 -8.270 328 H LEU 47 H LEU 47 -18.626 -1.803 -4.551 329 HA LEU 47 HA LEU 47 -16.421 -1.656 -2.775 330 HB2 LEU 47 2HB LEU 47 -18.961 -2.514 -2.671 331 HB3 LEU 47 1HB LEU 47 -18.168 -4.080 -2.840 332 HG LEU 47 HG LEU 47 -16.586 -3.030 -0.946 333 HD11 LEU 47 1HD1 LEU 47 -17.476 -0.990 -0.396 334 HD12 LEU 47 2HD1 LEU 47 -18.536 -1.976 0.611 335 HD13 LEU 47 3HD1 LEU 47 -19.086 -1.421 -0.971 336 HD21 LEU 47 3HD2 LEU 47 -17.680 -5.134 -0.636 337 HD22 LEU 47 1HD2 LEU 47 -19.277 -4.386 -0.654 338 HD23 LEU 47 2HD2 LEU 47 -18.198 -4.129 0.717 339 H ALA 48 H ALA 48 -17.372 -4.356 -4.925 340 HA ALA 48 HA ALA 48 -15.184 -6.100 -4.470 341 HB1 ALA 48 1HB ALA 48 -15.752 -6.840 -6.829 342 HB2 ALA 48 2HB ALA 48 -16.848 -5.461 -6.919 343 HB3 ALA 48 3HB ALA 48 -17.138 -6.743 -5.742 344 H ALA 49 H ALA 49 -15.479 -3.225 -6.456 345 HA ALA 49 HA ALA 49 -13.098 -3.549 -8.022 346 HB1 ALA 49 1HB ALA 49 -14.296 -0.933 -7.129 347 HB2 ALA 49 2HB ALA 49 -15.171 -1.998 -8.228 348 HB3 ALA 49 3HB ALA 49 -13.603 -1.345 -8.696 349 H TYR 50 H TYR 50 -13.676 -1.396 -5.165 350 HA TYR 50 HA TYR 50 -10.973 -0.648 -4.751 351 HB2 TYR 50 2HB TYR 50 -12.999 0.295 -3.647 352 HB3 TYR 50 1HB TYR 50 -13.140 -1.180 -2.696 353 HD1 TYR 50 1HD TYR 50 -10.935 -1.865 -1.360 354 HD2 TYR 50 2HD TYR 50 -11.838 2.087 -2.764 355 HE1 TYR 50 1HE TYR 50 -9.361 -0.916 0.289 356 HE2 TYR 50 2HE TYR 50 -10.264 3.038 -1.120 357 HH TYR 50 HH TYR 50 -8.174 2.168 0.147 358 H GLN 51 H GLN 51 -12.732 -3.558 -3.672 359 HA GLN 51 HA GLN 51 -10.595 -4.578 -2.005 360 HB2 GLN 51 2HB GLN 51 -12.936 -5.870 -3.442 361 HB3 GLN 51 1HB GLN 51 -11.944 -6.687 -2.234 362 HG2 GLN 51 2HG GLN 51 -12.538 -4.916 -0.590 363 HG3 GLN 51 1HG GLN 51 -13.598 -4.185 -1.795 364 HE21 GLN 51 1HE2 GLN 51 -15.714 -4.994 -1.906 365 HE22 GLN 51 2HE2 GLN 51 -16.238 -6.420 -1.150 366 H SER 52 H SER 52 -11.675 -5.307 -5.341 367 HA SER 52 HA SER 52 -9.808 -7.230 -6.129 368 HB2 SER 52 2HB SER 52 -11.765 -6.198 -7.397 369 HB3 SER 52 1HB SER 52 -10.715 -4.832 -7.763 370 HG SER 52 HG SER 52 -10.018 -6.019 -9.344 371 H LYS 53 H LYS 53 -9.441 -3.690 -6.086 372 HA LYS 53 HA LYS 53 -6.666 -3.767 -7.018 373 HB2 LYS 53 2HB LYS 53 -8.781 -1.832 -6.353 374 HB3 LYS 53 1HB LYS 53 -7.183 -1.292 -5.841 375 HG2 LYS 53 2HG LYS 53 -6.698 -0.741 -7.964 376 HG3 LYS 53 1HG LYS 53 -6.880 -2.427 -8.436 377 HD2 LYS 53 2HD LYS 53 -9.361 -2.047 -8.611 378 HD3 LYS 53 1HD LYS 53 -9.072 -0.333 -8.322 379 HE2 LYS 53 2HE LYS 53 -7.561 -0.284 -10.320 380 HE3 LYS 53 1HE LYS 53 -7.996 -1.974 -10.643 381 HZ1 LYS 53 3HZ LYS 53 -9.507 -0.618 -11.859 382 HZ2 LYS 53 1HZ LYS 53 -9.827 0.359 -10.511 383 HZ3 LYS 53 2HZ LYS 53 -10.365 -1.251 -10.537 384 H LEU 54 H LEU 54 -8.386 -3.697 -3.958 385 HA LEU 54 HA LEU 54 -6.200 -2.985 -2.236 386 HB2 LEU 54 2HB LEU 54 -8.622 -2.950 -1.675 387 HB3 LEU 54 1HB LEU 54 -8.654 -4.709 -1.760 388 HG LEU 54 HG LEU 54 -6.737 -4.610 -0.015 389 HD11 LEU 54 1HD1 LEU 54 -7.401 -2.408 1.417 390 HD12 LEU 54 2HD1 LEU 54 -7.644 -1.786 -0.215 391 HD13 LEU 54 3HD1 LEU 54 -6.073 -2.433 0.258 392 HD21 LEU 54 3HD2 LEU 54 -8.691 -5.507 0.841 393 HD22 LEU 54 1HD2 LEU 54 -9.665 -4.121 0.346 394 HD23 LEU 54 2HD2 LEU 54 -8.636 -4.011 1.774 395 H SER 55 H SER 55 -7.706 -6.226 -2.536 396 HA SER 55 HA SER 55 -5.681 -7.761 -1.359 397 HB2 SER 55 2HB SER 55 -7.528 -8.356 -3.691 398 HB3 SER 55 1HB SER 55 -6.632 -9.591 -2.809 399 HG SER 55 HG SER 55 -8.840 -9.156 -2.076 400 H GLU 56 H GLU 56 -5.881 -6.552 -4.684 401 HA GLU 56 HA GLU 56 -3.561 -7.985 -5.685 402 HB2 GLU 56 2HB GLU 56 -5.478 -6.942 -6.998 403 HB3 GLU 56 1HB GLU 56 -4.775 -5.367 -6.629 404 HG2 GLU 56 2HG GLU 56 -3.806 -5.832 -8.697 405 HG3 GLU 56 1HG GLU 56 -2.576 -6.435 -7.586 406 H TYR 57 H TYR 57 -4.149 -4.836 -4.203 407 HA TYR 57 HA TYR 57 -1.537 -3.722 -4.676 408 HB2 TYR 57 2HB TYR 57 -3.577 -2.429 -4.194 409 HB3 TYR 57 1HB TYR 57 -3.654 -3.139 -2.585 410 HD1 TYR 57 2HD TYR 57 -0.650 -1.951 -4.499 411 HD2 TYR 57 1HD TYR 57 -3.270 -1.360 -1.154 412 HE1 TYR 57 2HE TYR 57 0.894 -0.239 -3.583 413 HE2 TYR 57 1HE TYR 57 -1.728 0.349 -0.231 414 HH TYR 57 HH TYR 57 0.897 0.795 -0.513 415 H ASN 58 H ASN 58 -2.982 -5.166 -1.715 416 HA ASN 58 HA ASN 58 -0.781 -4.970 0.008 417 HB2 ASN 58 2HB ASN 58 -3.112 -6.791 -0.366 418 HB3 ASN 58 1HB ASN 58 -1.842 -7.363 0.715 419 HD21 ASN 58 1HD2 ASN 58 -4.566 -5.274 0.498 420 HD22 ASN 58 2HD2 ASN 58 -4.343 -4.462 1.972 421 H LEU 59 H LEU 59 -1.505 -7.628 -2.288 422 HA LEU 59 HA LEU 59 0.937 -9.101 -1.794 423 HB2 LEU 59 2HB LEU 59 -1.327 -9.775 -2.912 424 HB3 LEU 59 1HB LEU 59 -0.652 -9.055 -4.371 425 HG LEU 59 HG LEU 59 -0.244 -11.499 -4.280 426 HD11 LEU 59 1HD1 LEU 59 1.896 -11.346 -5.129 427 HD12 LEU 59 2HD1 LEU 59 2.454 -10.299 -3.824 428 HD13 LEU 59 3HD1 LEU 59 1.465 -9.635 -5.125 429 HD21 LEU 59 3HD2 LEU 59 0.973 -12.534 -2.553 430 HD22 LEU 59 1HD2 LEU 59 -0.054 -11.395 -1.681 431 HD23 LEU 59 2HD2 LEU 59 1.639 -11.005 -1.979 432 H TYR 60 H TYR 60 -0.045 -6.519 -3.979 433 HA TYR 60 HA TYR 60 2.021 -6.364 -5.859 434 HB2 TYR 60 2HB TYR 60 -0.099 -4.863 -5.022 435 HB3 TYR 60 1HB TYR 60 1.233 -3.845 -4.503 436 HD1 TYR 60 2HD TYR 60 0.305 -5.922 -7.496 437 HD2 TYR 60 1HD TYR 60 1.936 -2.250 -5.989 438 HE1 TYR 60 2HE TYR 60 0.533 -5.069 -9.810 439 HE2 TYR 60 1HE TYR 60 2.159 -1.397 -8.295 440 HH TYR 60 HH TYR 60 1.987 -3.354 -11.006 441 H ARG 61 H ARG 61 1.968 -4.632 -2.725 442 HA ARG 61 HA ARG 61 4.504 -3.515 -2.664 443 HB2 ARG 61 2HB ARG 61 2.774 -4.796 -0.549 444 HB3 ARG 61 1HB ARG 61 4.271 -3.963 -0.130 445 HG2 ARG 61 2HG ARG 61 3.119 -2.133 -1.798 446 HG3 ARG 61 1HG ARG 61 1.691 -2.849 -1.052 447 HD2 ARG 61 2HD ARG 61 2.502 -0.920 0.277 448 HD3 ARG 61 1HD ARG 61 2.685 -2.426 1.199 449 HE ARG 61 HE ARG 61 5.026 -2.199 1.006 450 HH11 ARG 61 1HH2 ARG 61 3.404 -0.207 -1.348 451 HH12 ARG 61 2HH2 ARG 61 4.867 0.543 -1.884 452 HH21 ARG 61 1HH1 ARG 61 6.909 -1.210 0.293 453 HH22 ARG 61 2HH1 ARG 61 6.838 -0.020 -0.964 454 H ASN 62 H ASN 62 3.700 -6.895 -1.798 455 HA ASN 62 HA ASN 62 6.450 -7.568 -1.089 456 HB2 ASN 62 2HB ASN 62 3.883 -9.084 -1.613 457 HB3 ASN 62 1HB ASN 62 5.387 -9.914 -1.211 458 HD21 ASN 62 1HD2 ASN 62 3.060 -7.494 0.041 459 HD22 ASN 62 2HD2 ASN 62 3.474 -7.709 1.674 460 H ALA 63 H ALA 63 4.311 -8.431 -3.840 461 HA ALA 63 HA ALA 63 6.107 -9.899 -5.413 462 HB1 ALA 63 1HB ALA 63 3.686 -8.243 -5.781 463 HB2 ALA 63 2HB ALA 63 4.025 -9.878 -6.351 464 HB3 ALA 63 3HB ALA 63 4.638 -8.487 -7.245 465 H GLN 64 H GLN 64 5.387 -6.440 -6.024 466 HA GLN 64 HA GLN 64 7.455 -5.865 -7.817 467 HB2 GLN 64 2HB GLN 64 5.705 -4.436 -5.938 468 HB3 GLN 64 1HB GLN 64 7.207 -3.575 -6.269 469 HG2 GLN 64 2HG GLN 64 5.355 -4.674 -8.405 470 HG3 GLN 64 1HG GLN 64 5.389 -2.990 -7.879 471 HE21 GLN 64 1HE2 GLN 64 6.457 -4.830 -10.364 472 HE22 GLN 64 2HE2 GLN 64 7.915 -4.038 -10.730 473 H SER 65 H SER 65 7.647 -6.136 -4.297 474 HA SER 65 HA SER 65 10.339 -5.032 -4.081 475 HB2 SER 65 2HB SER 65 8.540 -5.110 -2.301 476 HB3 SER 65 1HB SER 65 8.806 -6.848 -2.194 477 HG SER 65 HG SER 65 10.320 -4.750 -1.263 478 H ASN 66 H ASN 66 8.935 -8.237 -4.526 479 HA ASN 66 HA ASN 66 11.526 -9.603 -4.134 480 HB2 ASN 66 2HB ASN 66 9.044 -10.322 -3.566 481 HB3 ASN 66 1HB ASN 66 9.036 -10.861 -5.246 482 HD21 ASN 66 1HD2 ASN 66 10.724 -12.486 -5.872 483 HD22 ASN 66 2HD2 ASN 66 11.380 -13.506 -4.685 484 H THR 67 H THR 67 9.591 -8.343 -6.763 485 HA THR 67 HA THR 67 11.015 -9.918 -8.819 486 HB THR 67 HB THR 67 9.509 -8.382 -10.271 487 HG1 THR 67 1HG THR 67 8.087 -7.161 -9.218 488 HG21 THR 67 3HG2 THR 67 8.959 -10.719 -9.742 489 HG22 THR 67 1HG2 THR 67 7.508 -9.718 -9.702 490 HG23 THR 67 2HG2 THR 67 8.278 -10.217 -8.195 491 H ALA 68 H ALA 68 10.844 -6.548 -7.660 492 HA ALA 68 HA ALA 68 12.469 -5.320 -9.646 493 HB1 ALA 68 1HB ALA 68 12.354 -4.683 -6.683 494 HB2 ALA 68 2HB ALA 68 11.070 -4.268 -7.818 495 HB3 ALA 68 3HB ALA 68 12.673 -3.556 -8.001 496 H LYS 69 H LYS 69 13.380 -6.996 -6.634 497 HA LYS 69 HA LYS 69 16.143 -6.395 -6.555 498 HB2 LYS 69 2HB LYS 69 14.273 -8.434 -5.543 499 HB3 LYS 69 1HB LYS 69 15.937 -9.006 -5.674 500 HG2 LYS 69 2HG LYS 69 16.001 -8.056 -3.561 501 HG3 LYS 69 1HG LYS 69 16.475 -6.668 -4.539 502 HD2 LYS 69 2HD LYS 69 13.872 -6.250 -4.666 503 HD3 LYS 69 1HD LYS 69 13.851 -7.232 -3.200 504 HE2 LYS 69 2HE LYS 69 15.927 -5.106 -3.273 505 HE3 LYS 69 1HE LYS 69 14.245 -4.547 -3.150 506 HZ1 LYS 69 3HZ LYS 69 15.424 -6.701 -1.475 507 HZ2 LYS 69 1HZ LYS 69 13.874 -6.030 -1.321 508 HZ3 LYS 69 2HZ LYS 69 15.243 -5.089 -0.967 509 H ALA 70 H ALA 70 14.670 -9.359 -7.952 510 HA ALA 70 HA ALA 70 17.050 -10.305 -9.225 511 HB1 ALA 70 1HB ALA 70 14.109 -10.764 -9.346 512 HB2 ALA 70 2HB ALA 70 15.415 -11.922 -9.091 513 HB3 ALA 70 3HB ALA 70 15.050 -11.349 -10.719 514 H PHE 71 H PHE 71 14.575 -8.010 -10.248 515 HA PHE 71 HA PHE 71 15.150 -7.896 -13.039 516 HB2 PHE 71 2HB PHE 71 13.447 -6.694 -11.215 517 HB3 PHE 71 1HB PHE 71 14.467 -5.349 -11.725 518 HD1 PHE 71 2HD PHE 71 14.665 -4.788 -14.160 519 HD2 PHE 71 1HD PHE 71 11.846 -7.679 -12.697 520 HE1 PHE 71 2HE PHE 71 13.409 -4.641 -16.294 521 HE2 PHE 71 1HE PHE 71 10.589 -7.533 -14.831 522 HZ PHE 71 HZ PHE 71 11.371 -6.013 -16.628 523 H LYS 72 H LYS 72 16.250 -5.591 -10.512 524 HA LYS 72 HA LYS 72 18.170 -4.259 -12.152 525 HB2 LYS 72 2HB LYS 72 19.003 -3.432 -9.969 526 HB3 LYS 72 1HB LYS 72 17.242 -3.409 -10.028 527 HG2 LYS 72 2HG LYS 72 17.100 -5.443 -8.733 528 HG3 LYS 72 1HG LYS 72 18.844 -5.687 -8.835 529 HD2 LYS 72 2HD LYS 72 19.069 -3.410 -7.671 530 HD3 LYS 72 1HD LYS 72 17.349 -3.555 -7.306 531 HE2 LYS 72 2HE LYS 72 18.145 -4.623 -5.424 532 HE3 LYS 72 1HE LYS 72 18.222 -6.017 -6.519 533 HZ1 LYS 72 3HZ LYS 72 20.363 -5.497 -5.371 534 HZ2 LYS 72 1HZ LYS 72 20.413 -4.036 -6.230 535 HZ3 LYS 72 2HZ LYS 72 20.464 -5.514 -7.067 536 H ASP 73 H ASP 73 18.346 -7.265 -10.346 537 HA ASP 73 HA ASP 73 21.246 -7.477 -10.336 538 HB2 ASP 73 2HB ASP 73 19.186 -8.653 -9.024 539 HB3 ASP 73 1HB ASP 73 19.518 -9.894 -10.232 540 H ILE 74 H ILE 74 18.726 -9.236 -12.196 541 HA ILE 74 HA ILE 74 20.346 -10.719 -13.929 542 HB ILE 74 HB ILE 74 17.720 -9.280 -14.440 543 HG12 ILE 74 2HG1 ILE 74 18.007 -12.207 -13.864 544 HG13 ILE 74 1HG1 ILE 74 18.129 -11.072 -12.520 545 HG21 ILE 74 1HG2 ILE 74 17.571 -11.461 -15.997 546 HG22 ILE 74 2HG2 ILE 74 19.316 -11.213 -16.059 547 HG23 ILE 74 3HG2 ILE 74 18.224 -9.934 -16.592 548 HD11 ILE 74 3HD1 ILE 74 15.825 -11.573 -12.611 549 HD12 ILE 74 1HD1 ILE 74 15.799 -11.543 -14.375 550 HD13 ILE 74 2HD1 ILE 74 15.949 -10.037 -13.470 551 H ASP 75 H ASP 75 19.367 -7.307 -14.262 552 HA ASP 75 HA ASP 75 20.390 -6.781 -16.860 553 HB2 ASP 75 2HB ASP 75 20.000 -5.193 -14.326 554 HB3 ASP 75 1HB ASP 75 20.681 -4.428 -15.762 555 H ALA 76 H ALA 76 21.996 -6.801 -13.694 556 HA ALA 76 HA ALA 76 24.499 -5.688 -14.365 557 HB1 ALA 76 1HB ALA 76 23.901 -8.021 -12.522 558 HB2 ALA 76 2HB ALA 76 23.621 -6.328 -12.112 559 HB3 ALA 76 3HB ALA 76 25.263 -6.908 -12.393 560 H ALA 77 H ALA 77 23.154 -8.797 -15.256 561 HA ALA 77 HA ALA 77 25.804 -9.838 -16.108 562 HB1 ALA 77 1HB ALA 77 22.987 -10.926 -15.908 563 HB2 ALA 77 2HB ALA 77 24.394 -11.386 -14.951 564 HB3 ALA 77 3HB ALA 77 24.295 -11.844 -16.652 565 H ILE 78 H ILE 78 22.978 -8.276 -17.420 566 HA ILE 78 HA ILE 78 23.260 -9.253 -20.144 567 HB ILE 78 HB ILE 78 21.891 -6.803 -18.985 568 HG12 ILE 78 2HG1 ILE 78 20.759 -9.542 -19.641 569 HG13 ILE 78 1HG1 ILE 78 21.185 -9.015 -18.013 570 HG21 ILE 78 1HG2 ILE 78 21.588 -8.263 -21.625 571 HG22 ILE 78 2HG2 ILE 78 22.146 -6.606 -21.392 572 HG23 ILE 78 3HG2 ILE 78 20.470 -7.030 -21.041 573 HD11 ILE 78 3HD1 ILE 78 18.982 -8.370 -17.987 574 HD12 ILE 78 1HD1 ILE 78 18.909 -8.183 -19.739 575 HD13 ILE 78 2HD1 ILE 78 19.650 -6.927 -18.750 576 H ILE 79 H ILE 79 25.124 -7.081 -18.308 577 HA ILE 79 HA ILE 79 26.005 -5.602 -20.758 578 HB ILE 79 HB ILE 79 26.285 -4.979 -17.797 579 HG12 ILE 79 2HG1 ILE 79 24.496 -3.738 -19.916 580 HG13 ILE 79 1HG1 ILE 79 23.949 -4.882 -18.690 581 HG21 ILE 79 1HG2 ILE 79 27.914 -4.073 -19.771 582 HG22 ILE 79 2HG2 ILE 79 27.481 -3.111 -18.360 583 HG23 ILE 79 3HG2 ILE 79 26.614 -2.888 -19.878 584 HD11 ILE 79 3HD1 ILE 79 24.942 -3.240 -16.968 585 HD12 ILE 79 1HD1 ILE 79 23.450 -2.752 -17.773 586 HD13 ILE 79 2HD1 ILE 79 24.994 -2.076 -18.293 587 H GLN 80 H GLN 80 27.161 -7.335 -17.863 588 HA GLN 80 HA GLN 80 29.954 -7.306 -18.832 589 HB2 GLN 80 2HB GLN 80 28.505 -8.467 -16.432 590 HB3 GLN 80 1HB GLN 80 30.243 -8.627 -16.680 591 HG2 GLN 80 2HG GLN 80 28.779 -5.976 -16.586 592 HG3 GLN 80 1HG GLN 80 29.626 -6.687 -15.213 593 HE21 GLN 80 1HE2 GLN 80 30.123 -4.294 -17.299 594 HE22 GLN 80 2HE2 GLN 80 31.785 -4.454 -17.608 595 H ASN 81 H ASN 81 27.202 -9.491 -18.605 596 HA ASN 81 HA ASN 81 28.809 -11.675 -19.886 597 HB2 ASN 81 2HB ASN 81 26.635 -11.494 -17.869 598 HB3 ASN 81 1HB ASN 81 26.504 -12.833 -19.011 599 HD21 ASN 81 1HD2 ASN 81 27.298 -12.784 -16.044 600 HD22 ASN 81 2HD2 ASN 81 28.784 -13.603 -15.997 601 H PHE 82 H PHE 82 26.522 -9.299 -20.572 602 HA PHE 82 HA PHE 82 25.118 -8.883 -22.372 603 HB2 PHE 82 2HB PHE 82 25.970 -9.572 -24.376 604 HB3 PHE 82 1HB PHE 82 27.296 -10.122 -23.370 605 HD1 PHE 82 2HD PHE 82 23.979 -11.357 -24.666 606 HD2 PHE 82 1HD PHE 82 28.043 -12.315 -23.653 607 HE1 PHE 82 2HE PHE 82 23.650 -13.660 -25.519 608 HE2 PHE 82 1HE PHE 82 27.715 -14.614 -24.518 609 HZ PHE 82 HZ PHE 82 25.518 -15.289 -25.447 610 H ARG 83 H ARG 83 24.987 -11.947 -20.755 611 HA ARG 83 HA ARG 83 23.270 -13.524 -20.496 612 HB2 ARG 83 2HB ARG 83 22.042 -10.778 -20.544 613 HB3 ARG 83 1HB ARG 83 21.079 -12.204 -20.156 614 HG2 ARG 83 2HG ARG 83 23.685 -11.606 -18.756 615 HG3 ARG 83 1HG ARG 83 22.147 -10.969 -18.174 616 HD2 ARG 83 2HD ARG 83 22.751 -13.917 -18.616 617 HD3 ARG 83 1HD ARG 83 22.704 -13.106 -17.039 618 HE ARG 83 HE ARG 83 20.287 -12.409 -18.180 619 HH11 ARG 83 1HH2 ARG 83 21.928 -15.428 -17.605 620 HH12 ARG 83 2HH2 ARG 83 20.457 -16.320 -17.437 621 HH21 ARG 83 1HH1 ARG 83 18.393 -13.591 -17.957 622 HH22 ARG 83 2HH1 ARG 83 18.470 -15.291 -17.635 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 11.731 -7.747 -26.368 2 H2 GLY 1 2HT GLY 1 12.674 -6.592 -27.183 3 H3 GLY 1 3HT GLY 1 11.237 -6.124 -26.408 4 HA2 GLY 1 2HA GLY 1 12.131 -6.265 -24.310 5 HA3 GLY 1 1HA GLY 1 13.396 -7.372 -24.847 6 H SER 2 H SER 2 12.329 -4.214 -26.133 7 HA SER 2 HA SER 2 14.989 -3.060 -25.450 8 HB2 SER 2 2HB SER 2 13.769 -3.321 -28.213 9 HB3 SER 2 1HB SER 2 15.159 -2.304 -27.854 10 HG SER 2 HG SER 2 14.912 -5.093 -27.868 11 H HIS 3 H HIS 3 12.200 -2.577 -24.533 12 HA HIS 3 HA HIS 3 11.753 0.192 -25.597 13 HB2 HIS 3 2HB HIS 3 9.973 -1.915 -24.347 14 HB3 HIS 3 1HB HIS 3 9.441 -0.248 -24.574 15 HD1 HIS 3 1HD HIS 3 8.522 0.325 -26.831 16 HD2 HIS 3 2HD HIS 3 10.795 -3.167 -26.930 17 HE1 HIS 3 1HE HIS 3 8.289 -0.615 -29.171 18 H MET 4 H MET 4 12.793 1.596 -24.207 19 HA MET 4 HA MET 4 13.430 2.659 -22.195 20 HB2 MET 4 2HB MET 4 10.749 2.377 -22.296 21 HB3 MET 4 1HB MET 4 11.073 1.447 -20.833 22 HG2 MET 4 2HG MET 4 12.348 3.375 -19.918 23 HG3 MET 4 1HG MET 4 11.939 4.305 -21.360 24 HE1 MET 4 3HE MET 4 8.783 3.848 -21.993 25 HE2 MET 4 1HE MET 4 10.018 5.114 -22.060 26 HE3 MET 4 2HE MET 4 8.521 5.385 -21.171 27 H ALA 5 H ALA 5 15.196 0.911 -22.129 28 HA ALA 5 HA ALA 5 15.279 -0.276 -19.466 29 HB1 ALA 5 1HB ALA 5 13.971 -2.015 -20.328 30 HB2 ALA 5 2HB ALA 5 15.598 -2.623 -20.629 31 HB3 ALA 5 3HB ALA 5 14.678 -1.879 -21.938 32 H THR 6 H THR 6 17.343 0.551 -19.126 33 HA THR 6 HA THR 6 19.460 -0.168 -21.128 34 HB THR 6 HB THR 6 20.599 1.867 -20.260 35 HG1 THR 6 1HG THR 6 18.199 2.312 -18.830 36 HG21 THR 6 3HG2 THR 6 19.136 2.106 -22.193 37 HG22 THR 6 1HG2 THR 6 18.959 3.520 -21.154 38 HG23 THR 6 2HG2 THR 6 17.728 2.258 -21.143 39 HA PRO 7 HA PRO 7 21.529 -2.453 -17.995 40 HB2 PRO 7 2HB PRO 7 24.144 -1.315 -18.635 41 HB3 PRO 7 1HB PRO 7 23.531 -2.942 -18.963 42 HG2 PRO 7 2HG PRO 7 23.995 -1.075 -20.889 43 HG3 PRO 7 1HG PRO 7 22.834 -2.400 -21.046 44 HD2 PRO 7 2HD PRO 7 22.349 0.481 -20.509 45 HD3 PRO 7 1HD PRO 7 21.354 -0.696 -21.395 46 H TRP 8 H TRP 8 23.374 -2.068 -16.209 47 HA TRP 8 HA TRP 8 23.542 -1.053 -14.063 48 HB2 TRP 8 2HB TRP 8 24.641 1.365 -14.632 49 HB3 TRP 8 1HB TRP 8 25.518 -0.152 -14.732 50 HD1 TRP 8 HD TRP 8 23.506 2.233 -17.014 51 HE1 TRP 8 1HE TRP 8 24.471 2.061 -19.398 52 HE3 TRP 8 3HE TRP 8 26.962 -1.454 -16.298 53 HZ2 TRP 8 2HZ TRP 8 26.454 0.558 -20.810 54 HZ3 TRP 8 3HZ TRP 8 28.379 -2.230 -18.176 55 HH2 TRP 8 HH TRP 8 28.130 -1.230 -20.430 56 H SER 9 H SER 9 21.064 -0.884 -13.922 57 HA SER 9 HA SER 9 20.394 1.794 -13.001 58 HB2 SER 9 2HB SER 9 18.424 1.842 -14.742 59 HB3 SER 9 1HB SER 9 20.032 2.346 -15.253 60 HG SER 9 HG SER 9 18.546 0.409 -16.241 61 H GLY 10 H GLY 10 18.033 -0.414 -14.452 62 HA2 GLY 10 2HA GLY 10 16.424 -1.811 -13.482 63 HA3 GLY 10 1HA GLY 10 17.491 -1.947 -12.084 64 H TYR 11 H TYR 11 17.512 -0.006 -10.625 65 HA TYR 11 HA TYR 11 14.741 0.806 -10.049 66 HB2 TYR 11 2HB TYR 11 17.377 0.690 -8.713 67 HB3 TYR 11 1HB TYR 11 16.338 2.013 -8.187 68 HD1 TYR 11 1HD TYR 11 13.784 1.314 -7.811 69 HD2 TYR 11 2HD TYR 11 17.131 -1.375 -7.662 70 HE1 TYR 11 1HE TYR 11 12.448 -0.274 -6.453 71 HE2 TYR 11 2HE TYR 11 15.795 -2.962 -6.303 72 HH TYR 11 HH TYR 11 13.325 -3.462 -5.964 73 H LEU 12 H LEU 12 17.448 2.156 -11.709 74 HA LEU 12 HA LEU 12 17.137 4.940 -11.188 75 HB2 LEU 12 2HB LEU 12 18.264 3.173 -13.300 76 HB3 LEU 12 1HB LEU 12 17.982 4.853 -13.760 77 HG LEU 12 HG LEU 12 19.238 5.541 -11.679 78 HD11 LEU 12 1HD1 LEU 12 19.342 3.792 -10.192 79 HD12 LEU 12 2HD1 LEU 12 20.846 3.468 -11.053 80 HD13 LEU 12 3HD1 LEU 12 19.384 2.574 -11.468 81 HD21 LEU 12 3HD2 LEU 12 21.470 5.001 -12.642 82 HD22 LEU 12 1HD2 LEU 12 20.333 5.543 -13.875 83 HD23 LEU 12 2HD2 LEU 12 20.705 3.826 -13.711 84 H ASP 13 H ASP 13 15.218 2.726 -13.116 85 HA ASP 13 HA ASP 13 13.100 4.693 -13.465 86 HB2 ASP 13 2HB ASP 13 14.884 5.353 -15.131 87 HB3 ASP 13 1HB ASP 13 14.637 3.796 -15.920 88 H ASP 14 H ASP 14 14.529 1.637 -14.610 89 HA ASP 14 HA ASP 14 12.267 0.376 -15.712 90 HB2 ASP 14 2HB ASP 14 14.851 -0.357 -14.519 91 HB3 ASP 14 1HB ASP 14 13.640 -1.638 -14.436 92 H VAL 15 H VAL 15 13.427 -0.725 -12.602 93 HA VAL 15 HA VAL 15 11.039 -1.833 -11.664 94 HB VAL 15 HB VAL 15 13.281 -0.466 -10.161 95 HG11 VAL 15 1HG1 VAL 15 11.467 -0.891 -8.661 96 HG12 VAL 15 2HG1 VAL 15 12.655 -2.168 -8.405 97 HG13 VAL 15 3HG1 VAL 15 11.200 -2.493 -9.346 98 HG21 VAL 15 3HG2 VAL 15 14.383 -2.046 -11.438 99 HG22 VAL 15 1HG2 VAL 15 12.968 -3.090 -11.555 100 HG23 VAL 15 2HG2 VAL 15 13.914 -3.049 -10.066 101 H SER 16 H SER 16 12.218 1.490 -11.279 102 HA SER 16 HA SER 16 10.389 2.492 -9.412 103 HB2 SER 16 2HB SER 16 12.163 3.842 -10.125 104 HB3 SER 16 1HB SER 16 11.805 3.573 -11.828 105 HG SER 16 HG SER 16 10.084 4.937 -11.680 106 H ALA 17 H ALA 17 9.844 1.823 -12.860 107 HA ALA 17 HA ALA 17 7.271 3.187 -12.998 108 HB1 ALA 17 1HB ALA 17 9.106 2.262 -14.769 109 HB2 ALA 17 2HB ALA 17 7.433 2.603 -15.211 110 HB3 ALA 17 3HB ALA 17 7.928 0.951 -14.840 111 H LYS 18 H LYS 18 8.303 -0.163 -12.430 112 HA LYS 18 HA LYS 18 5.497 -1.112 -12.234 113 HB2 LYS 18 2HB LYS 18 8.180 -2.481 -11.824 114 HB3 LYS 18 1HB LYS 18 6.622 -3.299 -11.943 115 HG2 LYS 18 2HG LYS 18 7.799 -1.546 -14.119 116 HG3 LYS 18 1HG LYS 18 7.897 -3.307 -14.097 117 HD2 LYS 18 2HD LYS 18 5.393 -3.390 -13.998 118 HD3 LYS 18 1HD LYS 18 5.369 -1.637 -14.193 119 HE2 LYS 18 2HE LYS 18 6.780 -2.016 -16.319 120 HE3 LYS 18 1HE LYS 18 6.307 -3.720 -16.177 121 HZ1 LYS 18 3HZ LYS 18 4.724 -2.362 -17.501 122 HZ2 LYS 18 1HZ LYS 18 4.391 -1.451 -16.109 123 HZ3 LYS 18 2HZ LYS 18 4.014 -3.108 -16.150 124 H PHE 19 H PHE 19 8.159 -0.158 -10.208 125 HA PHE 19 HA PHE 19 6.916 -1.218 -7.741 126 HB2 PHE 19 2HB PHE 19 9.474 -1.019 -8.653 127 HB3 PHE 19 1HB PHE 19 9.366 0.464 -7.708 128 HD1 PHE 19 2HD PHE 19 7.938 0.010 -5.392 129 HD2 PHE 19 1HD PHE 19 10.361 -2.828 -7.512 130 HE1 PHE 19 2HE PHE 19 8.218 -1.300 -3.305 131 HE2 PHE 19 1HE PHE 19 10.645 -4.141 -5.424 132 HZ PHE 19 HZ PHE 19 9.574 -3.377 -3.322 133 H ASP 20 H ASP 20 8.296 1.956 -8.767 134 HA ASP 20 HA ASP 20 6.897 3.420 -6.698 135 HB2 ASP 20 2HB ASP 20 8.924 3.836 -8.625 136 HB3 ASP 20 1HB ASP 20 7.664 5.008 -9.005 137 H THR 21 H THR 21 6.518 3.943 -10.220 138 HA THR 21 HA THR 21 3.924 5.097 -10.050 139 HB THR 21 HB THR 21 5.206 3.505 -12.298 140 HG1 THR 21 1HG THR 21 6.597 5.074 -12.055 141 HG21 THR 21 3HG2 THR 21 2.999 3.867 -12.984 142 HG22 THR 21 1HG2 THR 21 3.826 5.289 -13.620 143 HG23 THR 21 2HG2 THR 21 2.886 5.409 -12.133 144 H GLY 22 H GLY 22 4.936 1.721 -10.534 145 HA2 GLY 22 2HA GLY 22 2.375 0.591 -11.031 146 HA3 GLY 22 1HA GLY 22 3.737 -0.284 -10.335 147 H VAL 23 H VAL 23 4.149 0.379 -7.921 148 HA VAL 23 HA VAL 23 1.867 -0.418 -6.403 149 HB VAL 23 HB VAL 23 4.370 1.059 -5.549 150 HG11 VAL 23 1HG1 VAL 23 2.645 -0.862 -3.977 151 HG12 VAL 23 2HG1 VAL 23 2.477 0.891 -3.881 152 HG13 VAL 23 3HG1 VAL 23 3.980 0.120 -3.373 153 HG21 VAL 23 3HG2 VAL 23 5.542 -0.876 -5.805 154 HG22 VAL 23 1HG2 VAL 23 4.228 -1.362 -6.876 155 HG23 VAL 23 2HG2 VAL 23 4.217 -1.860 -5.185 156 H ASP 24 H ASP 24 3.289 2.825 -6.941 157 HA ASP 24 HA ASP 24 1.579 4.315 -5.220 158 HB2 ASP 24 2HB ASP 24 3.627 5.125 -6.410 159 HB3 ASP 24 1HB ASP 24 2.727 5.082 -7.927 160 H ASN 25 H ASN 25 1.170 3.277 -8.599 161 HA ASN 25 HA ASN 25 -1.342 4.574 -9.096 162 HB2 ASN 25 2HB ASN 25 0.173 3.609 -10.811 163 HB3 ASN 25 1HB ASN 25 -0.166 1.993 -10.191 164 HD21 ASN 25 1HD2 ASN 25 -1.388 4.569 -12.210 165 HD22 ASN 25 2HD2 ASN 25 -2.827 3.795 -12.670 166 H LEU 26 H LEU 26 -0.481 1.370 -7.794 167 HA LEU 26 HA LEU 26 -3.178 0.369 -7.556 168 HB2 LEU 26 2HB LEU 26 -0.498 -0.449 -7.034 169 HB3 LEU 26 1HB LEU 26 -1.392 -0.651 -5.530 170 HG LEU 26 HG LEU 26 -2.286 -1.713 -8.214 171 HD11 LEU 26 1HD1 LEU 26 -0.610 -2.839 -6.040 172 HD12 LEU 26 2HD1 LEU 26 -0.594 -3.185 -7.768 173 HD13 LEU 26 3HD1 LEU 26 -1.825 -3.910 -6.736 174 HD21 LEU 26 3HD2 LEU 26 -4.280 -1.957 -7.202 175 HD22 LEU 26 1HD2 LEU 26 -3.627 -1.332 -5.688 176 HD23 LEU 26 2HD2 LEU 26 -3.517 -3.054 -6.052 177 H GLN 27 H GLN 27 -1.157 2.422 -5.522 178 HA GLN 27 HA GLN 27 -2.826 2.210 -3.144 179 HB2 GLN 27 2HB GLN 27 -0.286 2.959 -3.670 180 HB3 GLN 27 1HB GLN 27 -1.048 4.549 -3.631 181 HG2 GLN 27 2HG GLN 27 -1.935 4.128 -1.407 182 HG3 GLN 27 1HG GLN 27 -1.343 2.467 -1.448 183 HE21 GLN 27 1HE2 GLN 27 -0.573 5.479 -0.234 184 HE22 GLN 27 2HE2 GLN 27 1.110 5.301 -0.105 185 H THR 28 H THR 28 -2.567 4.490 -5.871 186 HA THR 28 HA THR 28 -4.541 6.324 -4.701 187 HB THR 28 HB THR 28 -2.575 6.952 -6.170 188 HG1 THR 28 1HG THR 28 -3.910 8.577 -6.196 189 HG21 THR 28 3HG2 THR 28 -4.329 5.724 -8.320 190 HG22 THR 28 1HG2 THR 28 -2.744 5.143 -7.811 191 HG23 THR 28 2HG2 THR 28 -2.893 6.701 -8.621 192 H GLN 29 H GLN 29 -4.548 3.599 -6.924 193 HA GLN 29 HA GLN 29 -7.025 4.084 -8.254 194 HB2 GLN 29 2HB GLN 29 -5.061 2.040 -8.042 195 HB3 GLN 29 1HB GLN 29 -6.613 1.282 -7.706 196 HG2 GLN 29 2HG GLN 29 -5.878 2.903 -10.159 197 HG3 GLN 29 1HG GLN 29 -6.231 1.179 -10.096 198 HE21 GLN 29 1HE2 GLN 29 -8.542 1.622 -8.164 199 HE22 GLN 29 2HE2 GLN 29 -9.786 2.271 -9.112 200 H VAL 30 H VAL 30 -6.364 2.232 -5.236 201 HA VAL 30 HA VAL 30 -9.122 1.602 -4.743 202 HB VAL 30 HB VAL 30 -8.146 1.687 -2.228 203 HG11 VAL 30 1HG1 VAL 30 -8.632 -0.246 -4.183 204 HG12 VAL 30 2HG1 VAL 30 -8.351 -0.534 -2.468 205 HG13 VAL 30 3HG1 VAL 30 -7.006 -0.606 -3.604 206 HG21 VAL 30 3HG2 VAL 30 -5.973 2.682 -3.295 207 HG22 VAL 30 1HG2 VAL 30 -5.655 1.010 -3.761 208 HG23 VAL 30 2HG2 VAL 30 -5.834 1.432 -2.058 209 H THR 31 H THR 31 -7.168 4.465 -4.130 210 HA THR 31 HA THR 31 -8.945 5.828 -2.337 211 HB THR 31 HB THR 31 -7.363 7.148 -4.551 212 HG1 THR 31 1HG THR 31 -5.567 6.919 -3.062 213 HG21 THR 31 3HG2 THR 31 -6.815 8.587 -2.422 214 HG22 THR 31 1HG2 THR 31 -8.244 7.798 -1.757 215 HG23 THR 31 2HG2 THR 31 -8.376 8.773 -3.220 216 H GLU 32 H GLU 32 -8.705 5.723 -5.902 217 HA GLU 32 HA GLU 32 -11.030 7.335 -6.471 218 HB2 GLU 32 2HB GLU 32 -9.815 4.990 -7.994 219 HB3 GLU 32 1HB GLU 32 -10.865 6.229 -8.678 220 HG2 GLU 32 2HG GLU 32 -8.142 6.738 -7.451 221 HG3 GLU 32 1HG GLU 32 -8.481 6.662 -9.179 222 H ALA 33 H ALA 33 -10.439 3.846 -6.175 223 HA ALA 33 HA ALA 33 -13.065 2.841 -6.490 224 HB1 ALA 33 1HB ALA 33 -12.149 0.893 -5.379 225 HB2 ALA 33 2HB ALA 33 -10.974 1.873 -4.508 226 HB3 ALA 33 3HB ALA 33 -10.804 1.636 -6.244 227 H LEU 34 H LEU 34 -11.580 4.608 -3.851 228 HA LEU 34 HA LEU 34 -13.568 3.947 -1.819 229 HB2 LEU 34 2HB LEU 34 -11.072 4.853 -1.721 230 HB3 LEU 34 1HB LEU 34 -11.862 6.426 -1.829 231 HG LEU 34 HG LEU 34 -13.389 5.539 0.083 232 HD11 LEU 34 1HD1 LEU 34 -10.967 3.806 0.597 233 HD12 LEU 34 2HD1 LEU 34 -12.401 3.185 -0.220 234 HD13 LEU 34 3HD1 LEU 34 -12.519 3.785 1.435 235 HD21 LEU 34 3HD2 LEU 34 -11.960 7.325 0.630 236 HD22 LEU 34 1HD2 LEU 34 -10.505 6.384 0.302 237 HD23 LEU 34 2HD2 LEU 34 -11.450 6.067 1.757 238 H ASP 35 H ASP 35 -12.816 6.977 -3.585 239 HA ASP 35 HA ASP 35 -15.205 8.380 -2.888 240 HB2 ASP 35 2HB ASP 35 -13.130 8.496 -5.063 241 HB3 ASP 35 1HB ASP 35 -14.556 9.527 -5.191 242 H LYS 36 H LYS 36 -14.521 5.944 -5.318 243 HA LYS 36 HA LYS 36 -17.038 6.323 -6.780 244 HB2 LYS 36 2HB LYS 36 -14.577 4.639 -6.888 245 HB3 LYS 36 1HB LYS 36 -16.016 3.985 -7.644 246 HG2 LYS 36 2HG LYS 36 -15.856 5.392 -9.391 247 HG3 LYS 36 1HG LYS 36 -15.682 6.787 -8.328 248 HD2 LYS 36 2HD LYS 36 -13.697 6.442 -9.807 249 HD3 LYS 36 1HD LYS 36 -13.292 6.367 -8.094 250 HE2 LYS 36 2HE LYS 36 -12.482 4.268 -8.353 251 HE3 LYS 36 1HE LYS 36 -14.033 3.726 -9.022 252 HZ1 LYS 36 3HZ LYS 36 -13.401 4.723 -11.150 253 HZ2 LYS 36 1HZ LYS 36 -12.300 3.519 -10.685 254 HZ3 LYS 36 2HZ LYS 36 -11.889 5.158 -10.506 255 H LEU 37 H LEU 37 -15.671 4.146 -4.320 256 HA LEU 37 HA LEU 37 -17.773 2.212 -4.244 257 HB2 LEU 37 2HB LEU 37 -15.822 1.662 -3.056 258 HB3 LEU 37 1HB LEU 37 -15.682 3.271 -2.354 259 HG LEU 37 HG LEU 37 -17.573 2.827 -0.863 260 HD11 LEU 37 1HD1 LEU 37 -18.802 1.336 -2.459 261 HD12 LEU 37 2HD1 LEU 37 -18.704 0.676 -0.827 262 HD13 LEU 37 3HD1 LEU 37 -17.645 0.056 -2.094 263 HD21 LEU 37 3HD2 LEU 37 -15.917 0.339 -0.633 264 HD22 LEU 37 1HD2 LEU 37 -16.422 1.467 0.626 265 HD23 LEU 37 2HD2 LEU 37 -15.124 1.906 -0.483 266 H ALA 38 H ALA 38 -17.243 4.958 -2.020 267 HA ALA 38 HA ALA 38 -19.825 4.893 -0.812 268 HB1 ALA 38 1HB ALA 38 -17.547 6.789 -1.129 269 HB2 ALA 38 2HB ALA 38 -18.287 6.162 0.344 270 HB3 ALA 38 3HB ALA 38 -19.072 7.462 -0.553 271 H ALA 39 H ALA 39 -18.761 6.050 -3.920 272 HA ALA 39 HA ALA 39 -20.700 8.011 -4.591 273 HB1 ALA 39 1HB ALA 39 -18.624 6.831 -5.818 274 HB2 ALA 39 2HB ALA 39 -19.890 7.632 -6.746 275 HB3 ALA 39 3HB ALA 39 -19.914 5.880 -6.549 276 H LYS 40 H LYS 40 -20.787 4.537 -5.357 277 HA LYS 40 HA LYS 40 -23.707 4.608 -5.784 278 HB2 LYS 40 2HB LYS 40 -21.365 2.990 -6.480 279 HB3 LYS 40 1HB LYS 40 -22.713 1.986 -5.951 280 HG2 LYS 40 2HG LYS 40 -22.845 2.338 -8.367 281 HG3 LYS 40 1HG LYS 40 -24.188 3.164 -7.575 282 HD2 LYS 40 2HD LYS 40 -22.895 5.285 -7.641 283 HD3 LYS 40 1HD LYS 40 -21.598 4.447 -8.493 284 HE2 LYS 40 2HE LYS 40 -22.785 5.316 -10.304 285 HE3 LYS 40 1HE LYS 40 -23.613 3.757 -10.119 286 HZ1 LYS 40 3HZ LYS 40 -25.165 5.661 -10.150 287 HZ2 LYS 40 1HZ LYS 40 -24.422 6.268 -8.750 288 HZ3 LYS 40 2HZ LYS 40 -25.238 4.778 -8.700 289 HA PRO 41 HA PRO 41 -24.670 3.343 -1.642 290 HB2 PRO 41 2HB PRO 41 -26.795 1.617 -2.238 291 HB3 PRO 41 1HB PRO 41 -26.934 3.367 -1.999 292 HG2 PRO 41 2HG PRO 41 -26.853 1.804 -4.511 293 HG3 PRO 41 1HG PRO 41 -27.696 3.316 -4.144 294 HD2 PRO 41 2HD PRO 41 -25.445 3.214 -5.645 295 HD3 PRO 41 1HD PRO 41 -25.864 4.610 -4.627 296 H SER 42 H SER 42 -25.575 0.802 -0.826 297 HA SER 42 HA SER 42 -23.244 -0.794 -0.740 298 HB2 SER 42 2HB SER 42 -24.898 -2.598 -0.100 299 HB3 SER 42 1HB SER 42 -25.131 -1.083 0.767 300 HG SER 42 HG SER 42 -26.594 -2.145 -1.409 301 H ASP 43 H ASP 43 -22.333 -0.976 -2.873 302 HA ASP 43 HA ASP 43 -23.962 -2.518 -4.853 303 HB2 ASP 43 2HB ASP 43 -21.887 -0.368 -4.964 304 HB3 ASP 43 1HB ASP 43 -21.989 -1.490 -6.322 305 HA PRO 44 HA PRO 44 -21.062 -5.844 -4.607 306 HB2 PRO 44 2HB PRO 44 -21.388 -6.881 -7.125 307 HB3 PRO 44 1HB PRO 44 -22.595 -7.073 -5.843 308 HG2 PRO 44 2HG PRO 44 -22.592 -5.290 -8.191 309 HG3 PRO 44 1HG PRO 44 -23.950 -6.053 -7.354 310 HD2 PRO 44 2HD PRO 44 -23.194 -3.403 -7.103 311 HD3 PRO 44 1HD PRO 44 -24.213 -4.296 -5.955 312 H ALA 45 H ALA 45 -21.063 -4.002 -7.604 313 HA ALA 45 HA ALA 45 -18.438 -4.813 -8.476 314 HB1 ALA 45 1HB ALA 45 -20.334 -4.150 -9.878 315 HB2 ALA 45 2HB ALA 45 -18.935 -3.123 -10.193 316 HB3 ALA 45 3HB ALA 45 -20.267 -2.523 -9.205 317 H LEU 46 H LEU 46 -19.616 -1.614 -7.299 318 HA LEU 46 HA LEU 46 -17.178 -0.232 -7.242 319 HB2 LEU 46 2HB LEU 46 -19.796 -0.156 -5.906 320 HB3 LEU 46 1HB LEU 46 -18.518 0.575 -4.945 321 HG LEU 46 HG LEU 46 -19.531 2.292 -6.325 322 HD11 LEU 46 1HD1 LEU 46 -16.935 1.595 -7.700 323 HD12 LEU 46 2HD1 LEU 46 -16.992 2.222 -6.053 324 HD13 LEU 46 3HD1 LEU 46 -17.621 3.186 -7.389 325 HD21 LEU 46 3HD2 LEU 46 -19.041 0.318 -8.547 326 HD22 LEU 46 1HD2 LEU 46 -19.243 2.039 -8.873 327 HD23 LEU 46 2HD2 LEU 46 -20.544 1.130 -8.104 328 H LEU 47 H LEU 47 -18.611 -1.937 -4.444 329 HA LEU 47 HA LEU 47 -16.388 -1.801 -2.688 330 HB2 LEU 47 2HB LEU 47 -18.935 -2.721 -2.627 331 HB3 LEU 47 1HB LEU 47 -18.073 -4.254 -2.735 332 HG LEU 47 HG LEU 47 -16.573 -3.102 -0.843 333 HD11 LEU 47 1HD1 LEU 47 -19.102 -1.551 -0.979 334 HD12 LEU 47 2HD1 LEU 47 -17.520 -1.072 -0.367 335 HD13 LEU 47 3HD1 LEU 47 -18.593 -2.050 0.633 336 HD21 LEU 47 3HD2 LEU 47 -17.624 -5.223 -0.489 337 HD22 LEU 47 1HD2 LEU 47 -19.237 -4.512 -0.557 338 HD23 LEU 47 2HD2 LEU 47 -18.188 -4.188 0.824 339 H ALA 48 H ALA 48 -17.332 -4.414 -4.941 340 HA ALA 48 HA ALA 48 -15.136 -6.176 -4.532 341 HB1 ALA 48 1HB ALA 48 -15.712 -6.816 -6.938 342 HB2 ALA 48 2HB ALA 48 -16.855 -5.474 -6.923 343 HB3 ALA 48 3HB ALA 48 -17.067 -6.826 -5.810 344 H ALA 49 H ALA 49 -15.457 -3.229 -6.399 345 HA ALA 49 HA ALA 49 -13.087 -3.494 -8.001 346 HB1 ALA 49 1HB ALA 49 -15.184 -1.964 -8.146 347 HB2 ALA 49 2HB ALA 49 -13.629 -1.287 -8.622 348 HB3 ALA 49 3HB ALA 49 -14.305 -0.915 -7.037 349 H TYR 50 H TYR 50 -13.651 -1.352 -5.131 350 HA TYR 50 HA TYR 50 -10.942 -0.631 -4.714 351 HB2 TYR 50 2HB TYR 50 -12.989 0.308 -3.619 352 HB3 TYR 50 1HB TYR 50 -13.093 -1.152 -2.639 353 HD1 TYR 50 1HD TYR 50 -10.858 -1.784 -1.331 354 HD2 TYR 50 2HD TYR 50 -11.841 2.133 -2.782 355 HE1 TYR 50 1HE TYR 50 -9.276 -0.783 0.282 356 HE2 TYR 50 2HE TYR 50 -10.258 3.133 -1.174 357 HH TYR 50 HH TYR 50 -9.242 2.489 1.045 358 H GLN 51 H GLN 51 -12.729 -3.514 -3.619 359 HA GLN 51 HA GLN 51 -10.605 -4.573 -1.960 360 HB2 GLN 51 2HB GLN 51 -12.999 -5.777 -3.383 361 HB3 GLN 51 1HB GLN 51 -11.990 -6.679 -2.252 362 HG2 GLN 51 2HG GLN 51 -12.463 -4.911 -0.527 363 HG3 GLN 51 1HG GLN 51 -13.611 -4.190 -1.654 364 HE21 GLN 51 1HE2 GLN 51 -15.611 -5.350 -2.081 365 HE22 GLN 51 2HE2 GLN 51 -16.099 -6.668 -1.130 366 H SER 52 H SER 52 -11.687 -5.239 -5.307 367 HA SER 52 HA SER 52 -9.856 -7.201 -6.104 368 HB2 SER 52 2HB SER 52 -11.739 -6.257 -7.437 369 HB3 SER 52 1HB SER 52 -10.837 -4.757 -7.631 370 HG SER 52 HG SER 52 -9.798 -5.679 -9.198 371 H LYS 53 H LYS 53 -9.431 -3.676 -5.985 372 HA LYS 53 HA LYS 53 -6.675 -3.728 -6.938 373 HB2 LYS 53 2HB LYS 53 -8.759 -1.851 -6.366 374 HB3 LYS 53 1HB LYS 53 -7.366 -1.390 -5.392 375 HG2 LYS 53 2HG LYS 53 -6.339 -0.553 -7.204 376 HG3 LYS 53 1HG LYS 53 -6.439 -2.115 -8.011 377 HD2 LYS 53 2HD LYS 53 -8.955 -0.528 -7.889 378 HD3 LYS 53 1HD LYS 53 -7.685 0.078 -8.955 379 HE2 LYS 53 2HE LYS 53 -7.707 -1.846 -10.304 380 HE3 LYS 53 1HE LYS 53 -8.456 -2.836 -9.035 381 HZ1 LYS 53 3HZ LYS 53 -10.136 -2.223 -10.620 382 HZ2 LYS 53 1HZ LYS 53 -9.720 -0.584 -10.506 383 HZ3 LYS 53 2HZ LYS 53 -10.424 -1.375 -9.177 384 H LEU 54 H LEU 54 -8.337 -3.849 -3.846 385 HA LEU 54 HA LEU 54 -6.121 -3.309 -2.106 386 HB2 LEU 54 2HB LEU 54 -8.713 -3.493 -1.752 387 HB3 LEU 54 1HB LEU 54 -8.384 -5.202 -1.487 388 HG LEU 54 HG LEU 54 -6.569 -4.384 0.169 389 HD11 LEU 54 1HD1 LEU 54 -7.768 -2.094 1.107 390 HD12 LEU 54 2HD1 LEU 54 -7.908 -1.882 -0.637 391 HD13 LEU 54 3HD1 LEU 54 -6.323 -2.124 0.097 392 HD21 LEU 54 3HD2 LEU 54 -9.517 -3.951 0.759 393 HD22 LEU 54 1HD2 LEU 54 -8.260 -4.224 1.966 394 HD23 LEU 54 2HD2 LEU 54 -8.678 -5.500 0.822 395 H SER 55 H SER 55 -7.660 -6.491 -2.696 396 HA SER 55 HA SER 55 -5.711 -8.163 -1.610 397 HB2 SER 55 2HB SER 55 -7.522 -8.456 -4.016 398 HB3 SER 55 1HB SER 55 -6.600 -9.804 -3.356 399 HG SER 55 HG SER 55 -8.397 -8.171 -1.880 400 H GLU 56 H GLU 56 -5.711 -6.634 -4.809 401 HA GLU 56 HA GLU 56 -3.329 -8.038 -5.758 402 HB2 GLU 56 2HB GLU 56 -5.235 -6.998 -7.115 403 HB3 GLU 56 1HB GLU 56 -4.531 -5.429 -6.725 404 HG2 GLU 56 2HG GLU 56 -3.474 -5.875 -8.741 405 HG3 GLU 56 1HG GLU 56 -2.310 -6.559 -7.605 406 H TYR 57 H TYR 57 -4.059 -4.986 -4.152 407 HA TYR 57 HA TYR 57 -1.435 -3.803 -4.497 408 HB2 TYR 57 2HB TYR 57 -3.530 -2.551 -4.118 409 HB3 TYR 57 1HB TYR 57 -3.677 -3.281 -2.524 410 HD1 TYR 57 2HD TYR 57 -0.582 -2.033 -4.240 411 HD2 TYR 57 1HD TYR 57 -3.424 -1.489 -1.072 412 HE1 TYR 57 2HE TYR 57 0.872 -0.298 -3.226 413 HE2 TYR 57 1HE TYR 57 -1.973 0.245 -0.053 414 HH TYR 57 HH TYR 57 0.425 0.879 -0.075 415 H ASN 58 H ASN 58 -3.063 -5.185 -1.600 416 HA ASN 58 HA ASN 58 -0.903 -5.074 0.195 417 HB2 ASN 58 2HB ASN 58 -3.355 -6.716 -0.204 418 HB3 ASN 58 1HB ASN 58 -2.154 -7.389 0.898 419 HD21 ASN 58 1HD2 ASN 58 -4.893 -5.630 1.038 420 HD22 ASN 58 2HD2 ASN 58 -4.543 -4.604 2.344 421 H LEU 59 H LEU 59 -1.694 -7.577 -2.216 422 HA LEU 59 HA LEU 59 0.566 -9.298 -1.602 423 HB2 LEU 59 2HB LEU 59 -1.686 -9.747 -2.854 424 HB3 LEU 59 1HB LEU 59 -0.872 -9.059 -4.255 425 HG LEU 59 HG LEU 59 -0.681 -11.529 -4.208 426 HD11 LEU 59 1HD1 LEU 59 1.516 -11.555 -4.919 427 HD12 LEU 59 2HD1 LEU 59 2.076 -10.568 -3.569 428 HD13 LEU 59 3HD1 LEU 59 1.224 -9.816 -4.917 429 HD21 LEU 59 3HD2 LEU 59 -0.527 -11.337 -1.531 430 HD22 LEU 59 1HD2 LEU 59 1.198 -11.408 -1.895 431 HD23 LEU 59 2HD2 LEU 59 0.132 -12.716 -2.411 432 H TYR 60 H TYR 60 -0.079 -6.589 -3.764 433 HA TYR 60 HA TYR 60 2.113 -6.581 -5.512 434 HB2 TYR 60 2HB TYR 60 0.069 -4.897 -4.732 435 HB3 TYR 60 1HB TYR 60 1.489 -3.996 -4.230 436 HD1 TYR 60 2HD TYR 60 0.417 -6.084 -7.165 437 HD2 TYR 60 1HD TYR 60 2.328 -2.507 -5.763 438 HE1 TYR 60 2HE TYR 60 0.745 -5.341 -9.504 439 HE2 TYR 60 1HE TYR 60 2.654 -1.761 -8.096 440 HH TYR 60 HH TYR 60 2.855 -3.056 -10.429 441 H ARG 61 H ARG 61 1.957 -4.992 -2.304 442 HA ARG 61 HA ARG 61 4.523 -4.002 -2.011 443 HB2 ARG 61 2HB ARG 61 2.317 -4.493 -0.423 444 HB3 ARG 61 1HB ARG 61 3.559 -5.478 0.348 445 HG2 ARG 61 2HG ARG 61 4.796 -3.661 0.989 446 HG3 ARG 61 1HG ARG 61 4.382 -2.740 -0.457 447 HD2 ARG 61 2HD ARG 61 3.314 -1.680 1.472 448 HD3 ARG 61 1HD ARG 61 2.051 -2.451 0.492 449 HE ARG 61 HE ARG 61 3.170 -4.254 2.489 450 HH11 ARG 61 1HH2 ARG 61 0.839 -1.731 1.903 451 HH12 ARG 61 2HH2 ARG 61 -0.191 -2.233 3.198 452 HH21 ARG 61 1HH1 ARG 61 1.815 -4.882 4.162 453 HH22 ARG 61 2HH1 ARG 61 0.355 -4.002 4.469 454 H ASN 62 H ASN 62 3.557 -7.404 -1.446 455 HA ASN 62 HA ASN 62 6.273 -8.224 -0.723 456 HB2 ASN 62 2HB ASN 62 3.674 -9.651 -1.360 457 HB3 ASN 62 1HB ASN 62 5.139 -10.501 -0.869 458 HD21 ASN 62 1HD2 ASN 62 2.576 -8.340 0.257 459 HD22 ASN 62 2HD2 ASN 62 2.975 -8.433 1.904 460 H ALA 63 H ALA 63 4.104 -8.970 -3.488 461 HA ALA 63 HA ALA 63 5.874 -10.413 -5.107 462 HB1 ALA 63 1HB ALA 63 4.419 -8.988 -6.914 463 HB2 ALA 63 2HB ALA 63 3.487 -8.687 -5.447 464 HB3 ALA 63 3HB ALA 63 3.763 -10.342 -5.992 465 H GLN 64 H GLN 64 5.188 -6.936 -5.653 466 HA GLN 64 HA GLN 64 7.249 -6.349 -7.445 467 HB2 GLN 64 2HB GLN 64 5.526 -4.939 -5.534 468 HB3 GLN 64 1HB GLN 64 7.039 -4.089 -5.839 469 HG2 GLN 64 2HG GLN 64 5.180 -5.112 -8.007 470 HG3 GLN 64 1HG GLN 64 5.229 -3.444 -7.438 471 HE21 GLN 64 1HE2 GLN 64 6.401 -5.385 -9.876 472 HE22 GLN 64 2HE2 GLN 64 7.819 -4.532 -10.254 473 H SER 65 H SER 65 7.479 -6.732 -3.943 474 HA SER 65 HA SER 65 10.174 -5.637 -3.713 475 HB2 SER 65 2HB SER 65 8.171 -7.075 -2.023 476 HB3 SER 65 1HB SER 65 9.847 -7.084 -1.482 477 HG SER 65 HG SER 65 8.023 -5.093 -1.423 478 H ASN 66 H ASN 66 8.763 -8.836 -4.223 479 HA ASN 66 HA ASN 66 11.368 -10.200 -3.937 480 HB2 ASN 66 2HB ASN 66 9.060 -11.040 -3.205 481 HB3 ASN 66 1HB ASN 66 8.724 -11.299 -4.917 482 HD21 ASN 66 1HD2 ASN 66 9.609 -13.032 -2.300 483 HD22 ASN 66 2HD2 ASN 66 10.641 -14.174 -3.015 484 H THR 67 H THR 67 9.339 -8.901 -6.477 485 HA THR 67 HA THR 67 10.700 -10.408 -8.617 486 HB THR 67 HB THR 67 9.134 -9.071 -10.027 487 HG1 THR 67 1HG THR 67 7.657 -7.728 -8.853 488 HG21 THR 67 3HG2 THR 67 8.310 -11.149 -9.096 489 HG22 THR 67 1HG2 THR 67 7.025 -9.946 -8.982 490 HG23 THR 67 2HG2 THR 67 7.967 -10.368 -7.551 491 H ALA 68 H ALA 68 10.534 -7.040 -7.428 492 HA ALA 68 HA ALA 68 12.179 -5.821 -9.405 493 HB1 ALA 68 1HB ALA 68 12.039 -5.155 -6.451 494 HB2 ALA 68 2HB ALA 68 10.750 -4.769 -7.590 495 HB3 ALA 68 3HB ALA 68 12.344 -4.040 -7.782 496 H LYS 69 H LYS 69 13.051 -7.461 -6.363 497 HA LYS 69 HA LYS 69 15.808 -6.866 -6.240 498 HB2 LYS 69 2HB LYS 69 13.983 -9.059 -5.363 499 HB3 LYS 69 1HB LYS 69 15.717 -9.375 -5.268 500 HG2 LYS 69 2HG LYS 69 16.082 -7.663 -3.724 501 HG3 LYS 69 1HG LYS 69 14.628 -6.787 -4.202 502 HD2 LYS 69 2HD LYS 69 13.865 -7.706 -2.229 503 HD3 LYS 69 1HD LYS 69 13.452 -9.023 -3.328 504 HE2 LYS 69 2HE LYS 69 16.216 -9.051 -2.203 505 HE3 LYS 69 1HE LYS 69 14.889 -9.457 -1.095 506 HZ1 LYS 69 3HZ LYS 69 15.593 -11.429 -2.279 507 HZ2 LYS 69 1HZ LYS 69 15.370 -10.657 -3.772 508 HZ3 LYS 69 2HZ LYS 69 14.031 -10.991 -2.781 509 H ALA 70 H ALA 70 14.335 -9.793 -7.712 510 HA ALA 70 HA ALA 70 16.759 -10.730 -8.936 511 HB1 ALA 70 1HB ALA 70 14.751 -12.096 -8.475 512 HB2 ALA 70 2HB ALA 70 15.172 -12.173 -10.186 513 HB3 ALA 70 3HB ALA 70 13.837 -11.153 -9.652 514 H PHE 71 H PHE 71 14.248 -8.481 -9.976 515 HA PHE 71 HA PHE 71 14.802 -8.357 -12.762 516 HB2 PHE 71 2HB PHE 71 13.142 -7.130 -10.904 517 HB3 PHE 71 1HB PHE 71 14.156 -5.799 -11.459 518 HD1 PHE 71 1HD PHE 71 12.467 -8.800 -12.972 519 HD2 PHE 71 2HD PHE 71 13.330 -4.602 -13.265 520 HE1 PHE 71 1HE PHE 71 11.158 -8.677 -15.076 521 HE2 PHE 71 2HE PHE 71 12.021 -4.478 -15.367 522 HZ PHE 71 HZ PHE 71 10.934 -6.516 -16.274 523 H LYS 72 H LYS 72 15.998 -6.130 -10.209 524 HA LYS 72 HA LYS 72 17.893 -4.791 -11.895 525 HB2 LYS 72 2HB LYS 72 18.765 -3.974 -9.716 526 HB3 LYS 72 1HB LYS 72 17.004 -3.908 -9.774 527 HG2 LYS 72 2HG LYS 72 16.787 -5.858 -8.416 528 HG3 LYS 72 1HG LYS 72 18.491 -6.271 -8.610 529 HD2 LYS 72 2HD LYS 72 19.090 -4.160 -7.408 530 HD3 LYS 72 1HD LYS 72 17.373 -3.883 -7.116 531 HE2 LYS 72 2HE LYS 72 17.270 -5.480 -5.479 532 HE3 LYS 72 1HE LYS 72 18.361 -6.577 -6.352 533 HZ1 LYS 72 3HZ LYS 72 20.187 -5.014 -5.848 534 HZ2 LYS 72 1HZ LYS 72 19.518 -5.707 -4.453 535 HZ3 LYS 72 2HZ LYS 72 19.124 -4.110 -4.880 536 H ASP 73 H ASP 73 18.040 -7.819 -10.143 537 HA ASP 73 HA ASP 73 20.938 -8.054 -10.107 538 HB2 ASP 73 2HB ASP 73 19.047 -9.190 -8.696 539 HB3 ASP 73 1HB ASP 73 18.980 -10.342 -10.031 540 H ILE 74 H ILE 74 18.379 -9.571 -12.115 541 HA ILE 74 HA ILE 74 19.901 -11.169 -13.819 542 HB ILE 74 HB ILE 74 17.521 -9.381 -14.424 543 HG12 ILE 74 2HG1 ILE 74 17.329 -12.329 -13.999 544 HG13 ILE 74 1HG1 ILE 74 17.625 -11.330 -12.576 545 HG21 ILE 74 1HG2 ILE 74 18.971 -11.425 -16.035 546 HG22 ILE 74 2HG2 ILE 74 18.043 -10.023 -16.569 547 HG23 ILE 74 3HG2 ILE 74 17.209 -11.494 -16.070 548 HD11 ILE 74 3HD1 ILE 74 15.222 -11.478 -14.322 549 HD12 ILE 74 1HD1 ILE 74 15.665 -9.877 -13.730 550 HD13 ILE 74 2HD1 ILE 74 15.336 -11.180 -12.587 551 H ASP 75 H ASP 75 19.308 -7.660 -14.165 552 HA ASP 75 HA ASP 75 20.635 -7.231 -16.640 553 HB2 ASP 75 2HB ASP 75 20.108 -5.622 -14.148 554 HB3 ASP 75 1HB ASP 75 21.037 -4.917 -15.472 555 H ALA 76 H ALA 76 21.897 -7.406 -13.327 556 HA ALA 76 HA ALA 76 24.544 -6.519 -13.715 557 HB1 ALA 76 1HB ALA 76 24.898 -7.502 -11.623 558 HB2 ALA 76 2HB ALA 76 23.881 -8.895 -11.998 559 HB3 ALA 76 3HB ALA 76 23.143 -7.333 -11.643 560 H ALA 77 H ALA 77 23.036 -9.489 -14.801 561 HA ALA 77 HA ALA 77 25.663 -10.746 -15.395 562 HB1 ALA 77 1HB ALA 77 24.174 -12.666 -15.998 563 HB2 ALA 77 2HB ALA 77 22.776 -11.647 -15.658 564 HB3 ALA 77 3HB ALA 77 23.889 -12.078 -14.360 565 H ILE 78 H ILE 78 23.113 -8.952 -16.956 566 HA ILE 78 HA ILE 78 23.581 -9.936 -19.653 567 HB ILE 78 HB ILE 78 22.308 -7.387 -18.606 568 HG12 ILE 78 2HG1 ILE 78 21.024 -10.022 -19.393 569 HG13 ILE 78 1HG1 ILE 78 21.339 -9.539 -17.726 570 HG21 ILE 78 1HG2 ILE 78 22.635 -7.046 -20.909 571 HG22 ILE 78 2HG2 ILE 78 21.012 -7.734 -20.839 572 HG23 ILE 78 3HG2 ILE 78 22.383 -8.749 -21.291 573 HD11 ILE 78 3HD1 ILE 78 19.205 -8.713 -17.893 574 HD12 ILE 78 1HD1 ILE 78 19.306 -8.516 -19.643 575 HD13 ILE 78 2HD1 ILE 78 20.056 -7.327 -18.577 576 H ILE 79 H ILE 79 25.451 -7.961 -17.629 577 HA ILE 79 HA ILE 79 26.662 -6.527 -19.963 578 HB ILE 79 HB ILE 79 26.725 -5.953 -16.980 579 HG12 ILE 79 2HG1 ILE 79 25.224 -4.579 -19.238 580 HG13 ILE 79 1HG1 ILE 79 24.491 -5.661 -18.054 581 HG21 ILE 79 1HG2 ILE 79 27.457 -3.992 -19.132 582 HG22 ILE 79 2HG2 ILE 79 28.651 -5.185 -18.622 583 HG23 ILE 79 3HG2 ILE 79 27.984 -4.050 -17.451 584 HD11 ILE 79 3HD1 ILE 79 25.246 -2.845 -17.781 585 HD12 ILE 79 1HD1 ILE 79 25.877 -3.845 -16.473 586 HD13 ILE 79 2HD1 ILE 79 24.144 -3.809 -16.800 587 H GLN 80 H GLN 80 27.339 -8.521 -17.110 588 HA GLN 80 HA GLN 80 30.231 -8.650 -17.757 589 HB2 GLN 80 2HB GLN 80 28.469 -9.828 -15.582 590 HB3 GLN 80 1HB GLN 80 30.220 -10.031 -15.649 591 HG2 GLN 80 2HG GLN 80 30.245 -7.414 -15.828 592 HG3 GLN 80 1HG GLN 80 28.626 -7.536 -15.139 593 HE21 GLN 80 1HE2 GLN 80 28.841 -9.580 -13.297 594 HE22 GLN 80 2HE2 GLN 80 30.015 -9.215 -12.128 595 H ASN 81 H ASN 81 27.301 -10.596 -17.916 596 HA ASN 81 HA ASN 81 28.849 -12.842 -19.167 597 HB2 ASN 81 2HB ASN 81 26.487 -12.608 -17.349 598 HB3 ASN 81 1HB ASN 81 26.487 -13.942 -18.503 599 HD21 ASN 81 1HD2 ASN 81 27.345 -15.794 -17.565 600 HD22 ASN 81 2HD2 ASN 81 28.635 -15.827 -16.462 601 H PHE 82 H PHE 82 26.786 -10.282 -19.882 602 HA PHE 82 HA PHE 82 25.545 -9.682 -21.750 603 HB2 PHE 82 2HB PHE 82 26.473 -10.357 -23.723 604 HB3 PHE 82 1HB PHE 82 27.682 -11.056 -22.663 605 HD1 PHE 82 2HD PHE 82 24.366 -11.959 -24.217 606 HD2 PHE 82 1HD PHE 82 28.270 -13.287 -23.006 607 HE1 PHE 82 2HE PHE 82 23.912 -14.189 -25.194 608 HE2 PHE 82 1HE PHE 82 27.817 -15.514 -23.996 609 HZ PHE 82 HZ PHE 82 25.637 -15.967 -25.087 610 H ARG 83 H ARG 83 25.079 -12.793 -20.290 611 HA ARG 83 HA ARG 83 23.234 -14.243 -20.216 612 HB2 ARG 83 2HB ARG 83 22.226 -11.407 -20.174 613 HB3 ARG 83 1HB ARG 83 21.133 -12.769 -19.923 614 HG2 ARG 83 2HG ARG 83 23.655 -12.268 -18.322 615 HG3 ARG 83 1HG ARG 83 22.029 -11.856 -17.781 616 HD2 ARG 83 2HD ARG 83 21.740 -14.505 -18.525 617 HD3 ARG 83 1HD ARG 83 23.369 -14.473 -17.821 618 HE ARG 83 HE ARG 83 22.401 -13.967 -15.727 619 HH11 ARG 83 1HH2 ARG 83 20.134 -13.361 -18.303 620 HH12 ARG 83 2HH2 ARG 83 18.827 -13.028 -17.220 621 HH21 ARG 83 1HH1 ARG 83 20.689 -13.531 -14.347 622 HH22 ARG 83 2HH1 ARG 83 19.136 -13.124 -14.998 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 15.284 7.152 -31.795 2 H2 GLY 1 2HT GLY 1 13.644 7.299 -31.376 3 H3 GLY 1 3HT GLY 1 14.088 6.535 -32.827 4 HA2 GLY 1 2HA GLY 1 13.442 4.916 -31.142 5 HA3 GLY 1 1HA GLY 1 15.132 4.740 -31.614 6 H SER 2 H SER 2 12.973 5.852 -29.075 7 HA SER 2 HA SER 2 15.177 5.544 -27.111 8 HB2 SER 2 2HB SER 2 14.797 7.812 -26.243 9 HB3 SER 2 1HB SER 2 15.218 7.889 -27.952 10 HG SER 2 HG SER 2 12.923 7.946 -28.361 11 H HIS 3 H HIS 3 14.384 4.800 -25.146 12 HA HIS 3 HA HIS 3 11.559 5.188 -24.396 13 HB2 HIS 3 2HB HIS 3 12.727 2.664 -25.509 14 HB3 HIS 3 1HB HIS 3 11.518 2.527 -24.233 15 HD1 HIS 3 1HD HIS 3 9.188 3.826 -24.725 16 HD2 HIS 3 2HD HIS 3 11.662 3.198 -28.021 17 HE1 HIS 3 1HE HIS 3 7.746 4.169 -26.780 18 H MET 4 H MET 4 14.347 5.658 -23.308 19 HA MET 4 HA MET 4 15.486 5.465 -21.247 20 HB2 MET 4 2HB MET 4 12.643 4.758 -20.452 21 HB3 MET 4 1HB MET 4 13.913 5.238 -19.327 22 HG2 MET 4 2HG MET 4 14.015 7.433 -20.190 23 HG3 MET 4 1HG MET 4 13.178 6.980 -21.676 24 HE1 MET 4 3HE MET 4 11.188 6.125 -21.915 25 HE2 MET 4 1HE MET 4 10.081 7.480 -21.649 26 HE3 MET 4 2HE MET 4 9.851 5.966 -20.777 27 H ALA 5 H ALA 5 16.808 3.624 -21.716 28 HA ALA 5 HA ALA 5 16.172 1.220 -20.161 29 HB1 ALA 5 1HB ALA 5 16.634 -0.002 -22.557 30 HB2 ALA 5 2HB ALA 5 15.782 1.446 -23.092 31 HB3 ALA 5 3HB ALA 5 15.019 0.349 -21.940 32 H THR 6 H THR 6 18.308 3.026 -19.926 33 HA THR 6 HA THR 6 20.652 1.977 -21.362 34 HB THR 6 HB THR 6 21.772 3.685 -19.826 35 HG1 THR 6 1HG THR 6 20.610 4.336 -18.226 36 HG21 THR 6 3HG2 THR 6 19.619 4.235 -21.816 37 HG22 THR 6 1HG2 THR 6 21.339 4.619 -21.887 38 HG23 THR 6 2HG2 THR 6 20.255 5.603 -20.903 39 HA PRO 7 HA PRO 7 21.854 -1.092 -18.447 40 HB2 PRO 7 2HB PRO 7 24.626 -0.073 -18.504 41 HB3 PRO 7 1HB PRO 7 24.000 -1.649 -19.017 42 HG2 PRO 7 2HG PRO 7 24.838 0.225 -20.760 43 HG3 PRO 7 1HG PRO 7 23.557 -0.937 -21.133 44 HD2 PRO 7 2HD PRO 7 23.351 1.952 -20.480 45 HD3 PRO 7 1HD PRO 7 22.336 0.950 -21.541 46 H TRP 8 H TRP 8 23.495 -1.162 -16.375 47 HA TRP 8 HA TRP 8 23.384 -0.548 -14.078 48 HB2 TRP 8 2HB TRP 8 24.620 1.874 -14.053 49 HB3 TRP 8 1HB TRP 8 25.458 0.352 -14.304 50 HD1 TRP 8 HD TRP 8 23.868 3.207 -16.365 51 HE1 TRP 8 1HE TRP 8 25.149 3.394 -18.594 52 HE3 TRP 8 3HE TRP 8 27.058 -0.748 -15.879 53 HZ2 TRP 8 2HZ TRP 8 27.256 2.045 -19.983 54 HZ3 TRP 8 3HZ TRP 8 28.694 -1.271 -17.665 55 HH2 TRP 8 HH TRP 8 28.797 0.120 -19.715 56 H SER 9 H SER 9 20.832 -0.065 -14.986 57 HA SER 9 HA SER 9 20.176 2.538 -13.650 58 HB2 SER 9 2HB SER 9 19.706 3.008 -15.879 59 HB3 SER 9 1HB SER 9 19.350 1.326 -16.262 60 HG SER 9 HG SER 9 17.395 2.266 -16.201 61 H GLY 10 H GLY 10 17.893 0.166 -14.951 62 HA2 GLY 10 2HA GLY 10 16.347 -1.238 -13.900 63 HA3 GLY 10 1HA GLY 10 17.450 -1.291 -12.524 64 H TYR 11 H TYR 11 17.422 0.665 -11.107 65 HA TYR 11 HA TYR 11 14.632 1.422 -10.530 66 HB2 TYR 11 2HB TYR 11 17.253 1.309 -9.185 67 HB3 TYR 11 1HB TYR 11 16.247 2.667 -8.683 68 HD1 TYR 11 1HD TYR 11 13.843 2.197 -7.953 69 HD2 TYR 11 2HD TYR 11 16.793 -0.888 -8.431 70 HE1 TYR 11 1HE TYR 11 12.470 0.669 -6.563 71 HE2 TYR 11 2HE TYR 11 15.421 -2.417 -7.041 72 HH TYR 11 HH TYR 11 12.870 -1.364 -5.126 73 H LEU 12 H LEU 12 17.322 2.817 -12.185 74 HA LEU 12 HA LEU 12 16.967 5.594 -11.666 75 HB2 LEU 12 2HB LEU 12 18.168 3.832 -13.713 76 HB3 LEU 12 1HB LEU 12 17.760 5.448 -14.289 77 HG LEU 12 HG LEU 12 18.989 6.397 -12.321 78 HD11 LEU 12 1HD1 LEU 12 18.735 4.192 -11.015 79 HD12 LEU 12 2HD1 LEU 12 20.296 5.006 -10.904 80 HD13 LEU 12 3HD1 LEU 12 20.103 3.610 -11.965 81 HD21 LEU 12 3HD2 LEU 12 21.070 6.263 -13.381 82 HD22 LEU 12 1HD2 LEU 12 19.979 5.791 -14.683 83 HD23 LEU 12 2HD2 LEU 12 20.866 4.558 -13.785 84 H ASP 13 H ASP 13 15.067 3.354 -13.581 85 HA ASP 13 HA ASP 13 12.922 5.298 -13.914 86 HB2 ASP 13 2HB ASP 13 15.006 4.897 -15.965 87 HB3 ASP 13 1HB ASP 13 13.359 4.779 -16.584 88 H ASP 14 H ASP 14 14.367 2.250 -15.063 89 HA ASP 14 HA ASP 14 12.091 0.969 -16.123 90 HB2 ASP 14 2HB ASP 14 14.705 0.248 -14.975 91 HB3 ASP 14 1HB ASP 14 13.506 -1.044 -14.921 92 H VAL 15 H VAL 15 13.329 -0.185 -13.069 93 HA VAL 15 HA VAL 15 10.980 -1.304 -12.074 94 HB VAL 15 HB VAL 15 13.254 0.063 -10.621 95 HG11 VAL 15 1HG1 VAL 15 12.687 -1.643 -8.854 96 HG12 VAL 15 2HG1 VAL 15 11.213 -1.988 -9.759 97 HG13 VAL 15 3HG1 VAL 15 11.474 -0.382 -9.079 98 HG21 VAL 15 3HG2 VAL 15 13.872 -2.538 -10.563 99 HG22 VAL 15 1HG2 VAL 15 14.344 -1.503 -11.911 100 HG23 VAL 15 2HG2 VAL 15 12.921 -2.535 -12.049 101 H SER 16 H SER 16 12.132 2.027 -11.698 102 HA SER 16 HA SER 16 10.355 2.992 -9.761 103 HB2 SER 16 2HB SER 16 12.087 4.370 -10.523 104 HB3 SER 16 1HB SER 16 11.678 4.108 -12.215 105 HG SER 16 HG SER 16 10.125 5.533 -10.301 106 H ALA 17 H ALA 17 9.711 2.406 -13.217 107 HA ALA 17 HA ALA 17 7.108 3.712 -13.231 108 HB1 ALA 17 1HB ALA 17 8.747 1.942 -15.004 109 HB2 ALA 17 2HB ALA 17 8.082 3.543 -15.330 110 HB3 ALA 17 3HB ALA 17 7.032 2.127 -15.371 111 H LYS 18 H LYS 18 8.216 0.372 -12.772 112 HA LYS 18 HA LYS 18 5.438 -0.646 -12.549 113 HB2 LYS 18 2HB LYS 18 8.165 -1.944 -12.206 114 HB3 LYS 18 1HB LYS 18 6.631 -2.809 -12.288 115 HG2 LYS 18 2HG LYS 18 7.673 -0.997 -14.482 116 HG3 LYS 18 1HG LYS 18 7.863 -2.751 -14.475 117 HD2 LYS 18 2HD LYS 18 5.233 -2.677 -14.055 118 HD3 LYS 18 1HD LYS 18 5.391 -1.114 -14.858 119 HE2 LYS 18 2HE LYS 18 5.009 -2.643 -16.643 120 HE3 LYS 18 1HE LYS 18 6.771 -2.424 -16.647 121 HZ1 LYS 18 3HZ LYS 18 6.036 -4.796 -16.630 122 HZ2 LYS 18 1HZ LYS 18 5.381 -4.534 -15.088 123 HZ3 LYS 18 2HZ LYS 18 7.053 -4.371 -15.338 124 H PHE 19 H PHE 19 8.149 0.249 -10.550 125 HA PHE 19 HA PHE 19 6.956 -0.835 -8.077 126 HB2 PHE 19 2HB PHE 19 9.489 -0.563 -9.024 127 HB3 PHE 19 1HB PHE 19 9.363 0.912 -8.067 128 HD1 PHE 19 2HD PHE 19 7.997 0.419 -5.728 129 HD2 PHE 19 1HD PHE 19 10.426 -2.367 -7.914 130 HE1 PHE 19 2HE PHE 19 8.344 -0.900 -3.655 131 HE2 PHE 19 1HE PHE 19 10.774 -3.687 -5.841 132 HZ PHE 19 HZ PHE 19 9.734 -2.954 -3.713 133 H ASP 20 H ASP 20 8.268 2.394 -9.026 134 HA ASP 20 HA ASP 20 6.854 3.776 -6.924 135 HB2 ASP 20 2HB ASP 20 8.822 4.292 -8.892 136 HB3 ASP 20 1HB ASP 20 7.522 5.443 -9.201 137 H THR 21 H THR 21 6.382 4.414 -10.412 138 HA THR 21 HA THR 21 3.762 5.472 -10.160 139 HB THR 21 HB THR 21 4.802 3.916 -12.536 140 HG1 THR 21 1HG THR 21 6.208 5.480 -12.923 141 HG21 THR 21 3HG2 THR 21 3.656 5.715 -13.783 142 HG22 THR 21 1HG2 THR 21 3.175 6.459 -12.257 143 HG23 THR 21 2HG2 THR 21 2.542 4.874 -12.704 144 H GLY 22 H GLY 22 4.836 2.135 -10.777 145 HA2 GLY 22 2HA GLY 22 2.285 0.971 -11.240 146 HA3 GLY 22 1HA GLY 22 3.681 0.100 -10.616 147 H VAL 23 H VAL 23 4.138 0.594 -8.196 148 HA VAL 23 HA VAL 23 1.905 -0.269 -6.656 149 HB VAL 23 HB VAL 23 4.423 1.180 -5.809 150 HG11 VAL 23 1HG1 VAL 23 2.815 -0.829 -4.238 151 HG12 VAL 23 2HG1 VAL 23 2.516 0.905 -4.122 152 HG13 VAL 23 3HG1 VAL 23 4.084 0.247 -3.651 153 HG21 VAL 23 3HG2 VAL 23 5.116 -0.707 -7.077 154 HG22 VAL 23 1HG2 VAL 23 3.803 -1.703 -6.452 155 HG23 VAL 23 2HG2 VAL 23 5.153 -1.265 -5.406 156 H ASP 24 H ASP 24 3.239 3.016 -7.142 157 HA ASP 24 HA ASP 24 1.542 4.386 -5.288 158 HB2 ASP 24 2HB ASP 24 3.559 5.301 -6.446 159 HB3 ASP 24 1HB ASP 24 2.655 5.309 -7.961 160 H ASN 25 H ASN 25 1.108 3.450 -8.686 161 HA ASN 25 HA ASN 25 -1.408 4.751 -9.138 162 HB2 ASN 25 2HB ASN 25 0.062 3.846 -10.902 163 HB3 ASN 25 1HB ASN 25 -0.198 2.211 -10.294 164 HD21 ASN 25 1HD2 ASN 25 -1.418 4.586 -12.451 165 HD22 ASN 25 2HD2 ASN 25 -2.896 3.833 -12.809 166 H LEU 26 H LEU 26 -0.552 1.501 -7.913 167 HA LEU 26 HA LEU 26 -3.287 0.574 -7.668 168 HB2 LEU 26 2HB LEU 26 -0.665 -0.417 -7.352 169 HB3 LEU 26 1HB LEU 26 -1.421 -0.597 -5.772 170 HG LEU 26 HG LEU 26 -2.570 -1.587 -8.390 171 HD11 LEU 26 1HD1 LEU 26 -0.882 -2.803 -6.290 172 HD12 LEU 26 2HD1 LEU 26 -1.022 -3.214 -7.997 173 HD13 LEU 26 3HD1 LEU 26 -2.233 -3.785 -6.850 174 HD21 LEU 26 3HD2 LEU 26 -3.727 -1.149 -5.745 175 HD22 LEU 26 1HD2 LEU 26 -3.876 -2.828 -6.266 176 HD23 LEU 26 2HD2 LEU 26 -4.531 -1.532 -7.266 177 H GLN 27 H GLN 27 -1.080 2.343 -5.517 178 HA GLN 27 HA GLN 27 -2.684 2.075 -3.124 179 HB2 GLN 27 2HB GLN 27 -0.171 2.885 -3.718 180 HB3 GLN 27 1HB GLN 27 -0.955 4.459 -3.582 181 HG2 GLN 27 2HG GLN 27 -1.428 2.382 -1.464 182 HG3 GLN 27 1HG GLN 27 0.056 3.335 -1.434 183 HE21 GLN 27 1HE2 GLN 27 -0.150 5.683 -1.126 184 HE22 GLN 27 2HE2 GLN 27 -1.583 6.360 -0.519 185 H THR 28 H THR 28 -2.555 4.406 -5.791 186 HA THR 28 HA THR 28 -4.572 6.150 -4.523 187 HB THR 28 HB THR 28 -2.619 6.951 -5.915 188 HG1 THR 28 1HG THR 28 -5.170 7.565 -6.981 189 HG21 THR 28 3HG2 THR 28 -2.882 6.792 -8.391 190 HG22 THR 28 1HG2 THR 28 -4.235 5.688 -8.150 191 HG23 THR 28 2HG2 THR 28 -2.615 5.224 -7.634 192 H GLN 29 H GLN 29 -4.425 3.496 -6.806 193 HA GLN 29 HA GLN 29 -6.817 3.880 -8.268 194 HB2 GLN 29 2HB GLN 29 -4.851 1.854 -7.781 195 HB3 GLN 29 1HB GLN 29 -6.436 1.111 -7.636 196 HG2 GLN 29 2HG GLN 29 -5.416 2.722 -9.993 197 HG3 GLN 29 1HG GLN 29 -5.709 0.986 -9.960 198 HE21 GLN 29 1HE2 GLN 29 -8.258 1.443 -8.299 199 HE22 GLN 29 2HE2 GLN 29 -9.396 1.997 -9.425 200 H VAL 30 H VAL 30 -6.354 2.048 -5.195 201 HA VAL 30 HA VAL 30 -9.164 1.492 -4.877 202 HB VAL 30 HB VAL 30 -8.422 1.258 -2.388 203 HG11 VAL 30 1HG1 VAL 30 -8.510 -0.449 -4.486 204 HG12 VAL 30 2HG1 VAL 30 -8.058 -0.934 -2.852 205 HG13 VAL 30 3HG1 VAL 30 -6.808 -0.582 -4.044 206 HG21 VAL 30 3HG2 VAL 30 -6.178 1.367 -1.856 207 HG22 VAL 30 1HG2 VAL 30 -6.271 2.658 -3.054 208 HG23 VAL 30 2HG2 VAL 30 -5.663 1.068 -3.516 209 H THR 31 H THR 31 -7.140 4.269 -4.102 210 HA THR 31 HA THR 31 -8.897 5.620 -2.290 211 HB THR 31 HB THR 31 -7.278 6.955 -4.471 212 HG1 THR 31 1HG THR 31 -6.326 5.762 -2.080 213 HG21 THR 31 3HG2 THR 31 -7.040 8.704 -2.911 214 HG22 THR 31 1HG2 THR 31 -7.450 7.663 -1.548 215 HG23 THR 31 2HG2 THR 31 -8.704 8.169 -2.679 216 H GLU 32 H GLU 32 -8.647 5.614 -5.853 217 HA GLU 32 HA GLU 32 -10.938 7.271 -6.398 218 HB2 GLU 32 2HB GLU 32 -9.762 4.923 -7.945 219 HB3 GLU 32 1HB GLU 32 -10.810 6.170 -8.617 220 HG2 GLU 32 2HG GLU 32 -8.074 6.650 -7.409 221 HG3 GLU 32 1HG GLU 32 -8.435 6.603 -9.133 222 H ALA 33 H ALA 33 -10.445 3.754 -6.193 223 HA ALA 33 HA ALA 33 -13.089 2.823 -6.506 224 HB1 ALA 33 1HB ALA 33 -11.045 1.765 -4.523 225 HB2 ALA 33 2HB ALA 33 -10.851 1.564 -6.260 226 HB3 ALA 33 3HB ALA 33 -12.230 0.837 -5.436 227 H LEU 34 H LEU 34 -11.567 4.495 -3.827 228 HA LEU 34 HA LEU 34 -13.575 3.852 -1.815 229 HB2 LEU 34 2HB LEU 34 -11.031 4.890 -1.872 230 HB3 LEU 34 1HB LEU 34 -11.989 6.346 -1.599 231 HG LEU 34 HG LEU 34 -12.576 3.885 0.016 232 HD11 LEU 34 1HD1 LEU 34 -10.766 4.116 1.405 233 HD12 LEU 34 2HD1 LEU 34 -10.652 5.855 1.140 234 HD13 LEU 34 3HD1 LEU 34 -10.013 4.736 -0.064 235 HD21 LEU 34 3HD2 LEU 34 -14.121 5.595 0.441 236 HD22 LEU 34 1HD2 LEU 34 -12.914 6.866 0.249 237 HD23 LEU 34 2HD2 LEU 34 -12.919 5.867 1.704 238 H ASP 35 H ASP 35 -12.785 6.873 -3.580 239 HA ASP 35 HA ASP 35 -15.165 8.299 -2.867 240 HB2 ASP 35 2HB ASP 35 -12.986 8.442 -4.894 241 HB3 ASP 35 1HB ASP 35 -14.450 9.354 -5.261 242 H LYS 36 H LYS 36 -14.478 5.879 -5.302 243 HA LYS 36 HA LYS 36 -16.953 6.277 -6.821 244 HB2 LYS 36 2HB LYS 36 -14.430 5.004 -7.101 245 HB3 LYS 36 1HB LYS 36 -15.626 3.729 -7.181 246 HG2 LYS 36 2HG LYS 36 -16.224 4.350 -9.261 247 HG3 LYS 36 1HG LYS 36 -16.516 6.004 -8.727 248 HD2 LYS 36 2HD LYS 36 -14.762 5.914 -10.478 249 HD3 LYS 36 1HD LYS 36 -14.121 6.521 -8.952 250 HE2 LYS 36 2HE LYS 36 -12.666 4.786 -8.780 251 HE3 LYS 36 1HE LYS 36 -13.938 3.599 -9.136 252 HZ1 LYS 36 3HZ LYS 36 -13.820 4.346 -11.488 253 HZ2 LYS 36 1HZ LYS 36 -12.403 3.583 -10.950 254 HZ3 LYS 36 2HZ LYS 36 -12.455 5.276 -11.090 255 H LEU 37 H LEU 37 -15.678 4.095 -4.324 256 HA LEU 37 HA LEU 37 -17.811 2.204 -4.246 257 HB2 LEU 37 2HB LEU 37 -15.891 1.632 -3.027 258 HB3 LEU 37 1HB LEU 37 -15.713 3.253 -2.362 259 HG LEU 37 HG LEU 37 -17.626 2.887 -0.872 260 HD11 LEU 37 1HD1 LEU 37 -17.754 0.167 -2.208 261 HD12 LEU 37 2HD1 LEU 37 -18.979 1.433 -2.279 262 HD13 LEU 37 3HD1 LEU 37 -18.652 0.608 -0.755 263 HD21 LEU 37 3HD2 LEU 37 -15.218 1.999 -0.391 264 HD22 LEU 37 1HD2 LEU 37 -15.941 0.406 -0.619 265 HD23 LEU 37 2HD2 LEU 37 -16.540 1.472 0.652 266 H ALA 38 H ALA 38 -17.265 4.989 -2.074 267 HA ALA 38 HA ALA 38 -19.864 4.980 -0.890 268 HB1 ALA 38 1HB ALA 38 -17.693 7.034 -1.325 269 HB2 ALA 38 2HB ALA 38 -18.086 6.159 0.154 270 HB3 ALA 38 3HB ALA 38 -19.163 7.427 -0.434 271 H ALA 39 H ALA 39 -18.741 6.062 -4.003 272 HA ALA 39 HA ALA 39 -20.653 8.039 -4.721 273 HB1 ALA 39 1HB ALA 39 -19.837 5.899 -6.657 274 HB2 ALA 39 2HB ALA 39 -18.556 6.843 -5.900 275 HB3 ALA 39 3HB ALA 39 -19.796 7.652 -6.855 276 H LYS 40 H LYS 40 -20.733 4.562 -5.477 277 HA LYS 40 HA LYS 40 -23.646 4.639 -5.953 278 HB2 LYS 40 2HB LYS 40 -21.300 3.032 -6.628 279 HB3 LYS 40 1HB LYS 40 -22.631 2.011 -6.085 280 HG2 LYS 40 2HG LYS 40 -22.771 2.339 -8.505 281 HG3 LYS 40 1HG LYS 40 -24.129 3.144 -7.717 282 HD2 LYS 40 2HD LYS 40 -22.820 5.284 -7.777 283 HD3 LYS 40 1HD LYS 40 -21.579 4.449 -8.711 284 HE2 LYS 40 2HE LYS 40 -23.013 4.150 -10.575 285 HE3 LYS 40 1HE LYS 40 -24.469 4.468 -9.610 286 HZ1 LYS 40 3HZ LYS 40 -23.941 6.456 -10.796 287 HZ2 LYS 40 1HZ LYS 40 -22.320 6.397 -10.303 288 HZ3 LYS 40 2HZ LYS 40 -23.540 6.716 -9.165 289 HA PRO 41 HA PRO 41 -24.679 3.411 -1.813 290 HB2 PRO 41 2HB PRO 41 -26.744 1.637 -2.987 291 HB3 PRO 41 1HB PRO 41 -26.939 3.002 -1.872 292 HG2 PRO 41 2HG PRO 41 -27.651 3.137 -4.461 293 HG3 PRO 41 1HG PRO 41 -27.061 4.536 -3.553 294 HD2 PRO 41 2HD PRO 41 -25.679 2.908 -5.613 295 HD3 PRO 41 1HD PRO 41 -25.500 4.631 -5.217 296 H SER 42 H SER 42 -25.602 0.889 -0.985 297 HA SER 42 HA SER 42 -23.284 -0.725 -0.864 298 HB2 SER 42 2HB SER 42 -25.059 -2.534 -0.332 299 HB3 SER 42 1HB SER 42 -25.067 -1.087 0.672 300 HG SER 42 HG SER 42 -27.127 -1.234 0.050 301 H ASP 43 H ASP 43 -22.362 -0.948 -2.987 302 HA ASP 43 HA ASP 43 -23.991 -2.515 -4.948 303 HB2 ASP 43 2HB ASP 43 -21.907 -0.371 -5.106 304 HB3 ASP 43 1HB ASP 43 -22.063 -1.496 -6.455 305 HA PRO 44 HA PRO 44 -21.068 -5.817 -4.674 306 HB2 PRO 44 2HB PRO 44 -21.368 -6.867 -7.191 307 HB3 PRO 44 1HB PRO 44 -22.580 -7.067 -5.915 308 HG2 PRO 44 2HG PRO 44 -22.581 -5.293 -8.269 309 HG3 PRO 44 1HG PRO 44 -23.937 -6.065 -7.437 310 HD2 PRO 44 2HD PRO 44 -23.211 -3.408 -7.192 311 HD3 PRO 44 1HD PRO 44 -24.223 -4.308 -6.043 312 H ALA 45 H ALA 45 -21.067 -4.014 -7.694 313 HA ALA 45 HA ALA 45 -18.438 -4.801 -8.553 314 HB1 ALA 45 1HB ALA 45 -18.992 -3.406 -10.364 315 HB2 ALA 45 2HB ALA 45 -19.990 -2.357 -9.356 316 HB3 ALA 45 3HB ALA 45 -20.550 -3.978 -9.768 317 H LEU 46 H LEU 46 -19.602 -1.577 -7.435 318 HA LEU 46 HA LEU 46 -17.158 -0.223 -7.344 319 HB2 LEU 46 2HB LEU 46 -19.798 -0.095 -6.070 320 HB3 LEU 46 1HB LEU 46 -18.537 0.618 -5.075 321 HG LEU 46 HG LEU 46 -19.474 2.350 -6.485 322 HD11 LEU 46 1HD1 LEU 46 -16.941 2.207 -6.152 323 HD12 LEU 46 2HD1 LEU 46 -17.510 3.206 -7.488 324 HD13 LEU 46 3HD1 LEU 46 -16.867 1.598 -7.805 325 HD21 LEU 46 3HD2 LEU 46 -19.179 2.096 -9.017 326 HD22 LEU 46 1HD2 LEU 46 -20.469 1.154 -8.272 327 HD23 LEU 46 2HD2 LEU 46 -18.946 0.376 -8.705 328 H LEU 47 H LEU 47 -18.636 -1.878 -4.535 329 HA LEU 47 HA LEU 47 -16.437 -1.715 -2.753 330 HB2 LEU 47 2HB LEU 47 -18.970 -2.611 -2.672 331 HB3 LEU 47 1HB LEU 47 -18.148 -4.163 -2.829 332 HG LEU 47 HG LEU 47 -16.601 -3.077 -0.926 333 HD11 LEU 47 1HD1 LEU 47 -17.534 -1.052 -0.391 334 HD12 LEU 47 2HD1 LEU 47 -18.580 -2.056 0.612 335 HD13 LEU 47 3HD1 LEU 47 -19.132 -1.518 -0.975 336 HD21 LEU 47 3HD2 LEU 47 -17.841 -5.223 -0.810 337 HD22 LEU 47 1HD2 LEU 47 -19.319 -4.338 -0.433 338 HD23 LEU 47 2HD2 LEU 47 -17.969 -4.323 0.702 339 H ALA 48 H ALA 48 -17.357 -4.428 -4.903 340 HA ALA 48 HA ALA 48 -15.146 -6.141 -4.454 341 HB1 ALA 48 1HB ALA 48 -17.114 -6.784 -5.722 342 HB2 ALA 48 2HB ALA 48 -15.714 -6.914 -6.790 343 HB3 ALA 48 3HB ALA 48 -16.798 -5.528 -6.918 344 H ALA 49 H ALA 49 -15.476 -3.265 -6.431 345 HA ALA 49 HA ALA 49 -13.098 -3.567 -8.008 346 HB1 ALA 49 1HB ALA 49 -14.323 -0.964 -7.113 347 HB2 ALA 49 2HB ALA 49 -15.185 -2.039 -8.213 348 HB3 ALA 49 3HB ALA 49 -13.625 -1.367 -8.680 349 H TYR 50 H TYR 50 -13.681 -1.394 -5.166 350 HA TYR 50 HA TYR 50 -10.987 -0.629 -4.756 351 HB2 TYR 50 2HB TYR 50 -13.027 0.291 -3.653 352 HB3 TYR 50 1HB TYR 50 -13.141 -1.180 -2.692 353 HD1 TYR 50 1HD TYR 50 -10.919 -1.819 -1.358 354 HD2 TYR 50 2HD TYR 50 -11.889 2.102 -2.791 355 HE1 TYR 50 1HE TYR 50 -9.359 -0.829 0.282 356 HE2 TYR 50 2HE TYR 50 -10.332 3.099 -1.158 357 HH TYR 50 HH TYR 50 -8.056 1.247 0.570 358 H GLN 51 H GLN 51 -12.724 -3.540 -3.637 359 HA GLN 51 HA GLN 51 -10.571 -4.541 -1.983 360 HB2 GLN 51 2HB GLN 51 -12.923 -5.841 -3.393 361 HB3 GLN 51 1HB GLN 51 -11.913 -6.661 -2.202 362 HG2 GLN 51 2HG GLN 51 -12.471 -4.819 -0.575 363 HG3 GLN 51 1HG GLN 51 -13.631 -4.206 -1.755 364 HE21 GLN 51 1HE2 GLN 51 -15.618 -5.373 -2.040 365 HE22 GLN 51 2HE2 GLN 51 -16.047 -6.699 -1.071 366 H SER 52 H SER 52 -11.663 -5.285 -5.310 367 HA SER 52 HA SER 52 -9.799 -7.215 -6.094 368 HB2 SER 52 2HB SER 52 -11.748 -6.250 -7.381 369 HB3 SER 52 1HB SER 52 -10.767 -4.824 -7.706 370 HG SER 52 HG SER 52 -9.383 -6.054 -8.895 371 H LYS 53 H LYS 53 -9.435 -3.672 -6.094 372 HA LYS 53 HA LYS 53 -6.665 -3.760 -7.031 373 HB2 LYS 53 2HB LYS 53 -8.778 -1.818 -6.390 374 HB3 LYS 53 1HB LYS 53 -7.183 -1.272 -5.875 375 HG2 LYS 53 2HG LYS 53 -6.664 -0.755 -7.997 376 HG3 LYS 53 1HG LYS 53 -6.889 -2.438 -8.465 377 HD2 LYS 53 2HD LYS 53 -9.356 -2.000 -8.646 378 HD3 LYS 53 1HD LYS 53 -9.032 -0.293 -8.350 379 HE2 LYS 53 2HE LYS 53 -7.499 -0.287 -10.344 380 HE3 LYS 53 1HE LYS 53 -8.009 -1.954 -10.681 381 HZ1 LYS 53 3HZ LYS 53 -9.359 -0.183 -11.816 382 HZ2 LYS 53 1HZ LYS 53 -9.927 0.275 -10.284 383 HZ3 LYS 53 2HZ LYS 53 -10.253 -1.282 -10.879 384 H LEU 54 H LEU 54 -8.373 -3.656 -3.966 385 HA LEU 54 HA LEU 54 -6.174 -2.934 -2.261 386 HB2 LEU 54 2HB LEU 54 -8.599 -2.885 -1.695 387 HB3 LEU 54 1HB LEU 54 -8.629 -4.646 -1.750 388 HG LEU 54 HG LEU 54 -6.694 -4.500 -0.018 389 HD11 LEU 54 1HD1 LEU 54 -7.395 -2.291 1.388 390 HD12 LEU 54 2HD1 LEU 54 -7.649 -1.696 -0.252 391 HD13 LEU 54 3HD1 LEU 54 -6.067 -2.309 0.228 392 HD21 LEU 54 3HD2 LEU 54 -9.622 -3.962 0.412 393 HD22 LEU 54 1HD2 LEU 54 -8.534 -4.007 1.799 394 HD23 LEU 54 2HD2 LEU 54 -8.699 -5.423 0.761 395 H SER 55 H SER 55 -7.701 -6.166 -2.548 396 HA SER 55 HA SER 55 -5.681 -7.710 -1.364 397 HB2 SER 55 2HB SER 55 -8.059 -8.246 -2.348 398 HB3 SER 55 1HB SER 55 -7.166 -8.643 -3.813 399 HG SER 55 HG SER 55 -7.447 -10.446 -2.402 400 H GLU 56 H GLU 56 -5.902 -6.534 -4.703 401 HA GLU 56 HA GLU 56 -3.592 -7.971 -5.709 402 HB2 GLU 56 2HB GLU 56 -5.510 -6.911 -7.011 403 HB3 GLU 56 1HB GLU 56 -4.787 -5.343 -6.648 404 HG2 GLU 56 2HG GLU 56 -3.833 -5.819 -8.720 405 HG3 GLU 56 1HG GLU 56 -2.605 -6.438 -7.616 406 H TYR 57 H TYR 57 -4.152 -4.823 -4.215 407 HA TYR 57 HA TYR 57 -1.527 -3.735 -4.693 408 HB2 TYR 57 2HB TYR 57 -3.551 -2.414 -4.230 409 HB3 TYR 57 1HB TYR 57 -3.648 -3.117 -2.618 410 HD1 TYR 57 2HD TYR 57 -0.612 -1.980 -4.510 411 HD2 TYR 57 1HD TYR 57 -3.255 -1.331 -1.195 412 HE1 TYR 57 2HE TYR 57 0.948 -0.285 -3.590 413 HE2 TYR 57 1HE TYR 57 -1.698 0.361 -0.268 414 HH TYR 57 HH TYR 57 0.920 1.626 -2.095 415 H ASN 58 H ASN 58 -3.006 -5.158 -1.740 416 HA ASN 58 HA ASN 58 -0.804 -4.983 -0.009 417 HB2 ASN 58 2HB ASN 58 -3.124 -6.847 -0.389 418 HB3 ASN 58 1HB ASN 58 -1.889 -7.297 0.787 419 HD21 ASN 58 1HD2 ASN 58 -4.702 -5.407 0.355 420 HD22 ASN 58 2HD2 ASN 58 -4.560 -4.449 1.750 421 H LEU 59 H LEU 59 -1.575 -7.617 -2.314 422 HA LEU 59 HA LEU 59 0.829 -9.151 -1.812 423 HB2 LEU 59 2HB LEU 59 -1.444 -9.771 -2.941 424 HB3 LEU 59 1HB LEU 59 -0.750 -9.057 -4.394 425 HG LEU 59 HG LEU 59 -0.395 -11.509 -4.315 426 HD11 LEU 59 1HD1 LEU 59 2.330 -10.381 -3.848 427 HD12 LEU 59 2HD1 LEU 59 1.358 -9.672 -5.139 428 HD13 LEU 59 3HD1 LEU 59 1.742 -11.393 -5.168 429 HD21 LEU 59 3HD2 LEU 59 0.582 -12.603 -2.544 430 HD22 LEU 59 1HD2 LEU 59 -0.100 -11.243 -1.652 431 HD23 LEU 59 2HD2 LEU 59 1.600 -11.226 -2.119 432 H TYR 60 H TYR 60 -0.087 -6.539 -3.987 433 HA TYR 60 HA TYR 60 1.989 -6.415 -5.859 434 HB2 TYR 60 2HB TYR 60 -0.101 -4.874 -5.016 435 HB3 TYR 60 1HB TYR 60 1.251 -3.889 -4.486 436 HD1 TYR 60 2HD TYR 60 0.336 -5.942 -7.502 437 HD2 TYR 60 1HD TYR 60 1.939 -2.276 -5.955 438 HE1 TYR 60 2HE TYR 60 0.587 -5.075 -9.808 439 HE2 TYR 60 1HE TYR 60 2.186 -1.407 -8.253 440 HH TYR 60 HH TYR 60 2.474 -2.783 -10.717 441 H ARG 61 H ARG 61 1.957 -4.762 -2.681 442 HA ARG 61 HA ARG 61 4.490 -3.656 -2.569 443 HB2 ARG 61 2HB ARG 61 2.563 -4.843 -0.647 444 HB3 ARG 61 1HB ARG 61 4.191 -4.556 -0.030 445 HG2 ARG 61 2HG ARG 61 3.992 -2.281 -0.171 446 HG3 ARG 61 1HG ARG 61 3.002 -2.355 -1.631 447 HD2 ARG 61 2HD ARG 61 1.382 -1.687 -0.100 448 HD3 ARG 61 1HD ARG 61 1.246 -3.446 0.093 449 HE ARG 61 HE ARG 61 3.292 -2.777 1.825 450 HH11 ARG 61 1HH2 ARG 61 0.027 -1.651 1.362 451 HH12 ARG 61 2HH2 ARG 61 -0.178 -1.227 3.027 452 HH21 ARG 61 1HH1 ARG 61 2.997 -2.219 3.977 453 HH22 ARG 61 2HH1 ARG 61 1.489 -1.546 4.497 454 H ASN 62 H ASN 62 3.703 -7.075 -1.846 455 HA ASN 62 HA ASN 62 6.470 -7.764 -1.210 456 HB2 ASN 62 2HB ASN 62 3.922 -9.312 -1.760 457 HB3 ASN 62 1HB ASN 62 5.438 -10.093 -1.305 458 HD21 ASN 62 1HD2 ASN 62 2.690 -8.343 -0.083 459 HD22 ASN 62 2HD2 ASN 62 3.194 -8.272 1.536 460 H ALA 63 H ALA 63 4.268 -8.576 -3.927 461 HA ALA 63 HA ALA 63 6.041 -9.993 -5.573 462 HB1 ALA 63 1HB ALA 63 3.479 -9.066 -5.691 463 HB2 ALA 63 2HB ALA 63 4.314 -9.796 -7.062 464 HB3 ALA 63 3HB ALA 63 4.250 -8.041 -6.902 465 H GLN 64 H GLN 64 5.270 -6.530 -6.101 466 HA GLN 64 HA GLN 64 7.292 -5.904 -7.930 467 HB2 GLN 64 2HB GLN 64 5.668 -4.484 -5.890 468 HB3 GLN 64 1HB GLN 64 7.080 -3.610 -6.483 469 HG2 GLN 64 2HG GLN 64 4.955 -4.860 -8.251 470 HG3 GLN 64 1HG GLN 64 5.043 -3.148 -7.843 471 HE21 GLN 64 1HE2 GLN 64 7.797 -2.641 -8.061 472 HE22 GLN 64 2HE2 GLN 64 8.303 -2.917 -9.657 473 H SER 65 H SER 65 7.564 -6.217 -4.418 474 HA SER 65 HA SER 65 10.247 -5.090 -4.240 475 HB2 SER 65 2HB SER 65 8.553 -5.176 -2.403 476 HB3 SER 65 1HB SER 65 8.706 -6.930 -2.380 477 HG SER 65 HG SER 65 10.645 -6.762 -1.497 478 H ASN 66 H ASN 66 8.873 -8.302 -4.722 479 HA ASN 66 HA ASN 66 11.477 -9.653 -4.405 480 HB2 ASN 66 2HB ASN 66 8.916 -10.362 -3.935 481 HB3 ASN 66 1HB ASN 66 9.084 -10.988 -5.576 482 HD21 ASN 66 1HD2 ASN 66 8.964 -12.449 -2.888 483 HD22 ASN 66 2HD2 ASN 66 10.349 -13.429 -2.879 484 H THR 67 H THR 67 9.459 -8.389 -6.981 485 HA THR 67 HA THR 67 10.866 -9.860 -9.106 486 HB THR 67 HB THR 67 9.349 -8.455 -10.528 487 HG1 THR 67 1HG THR 67 9.213 -6.615 -9.316 488 HG21 THR 67 3HG2 THR 67 8.717 -10.599 -9.019 489 HG22 THR 67 1HG2 THR 67 7.546 -9.790 -10.062 490 HG23 THR 67 2HG2 THR 67 7.590 -9.425 -8.338 491 H ALA 68 H ALA 68 10.722 -6.509 -7.870 492 HA ALA 68 HA ALA 68 12.408 -5.275 -9.803 493 HB1 ALA 68 1HB ALA 68 10.959 -4.280 -7.938 494 HB2 ALA 68 2HB ALA 68 12.527 -3.514 -8.186 495 HB3 ALA 68 3HB ALA 68 12.298 -4.636 -6.846 496 H LYS 69 H LYS 69 13.221 -6.987 -6.785 497 HA LYS 69 HA LYS 69 15.989 -6.425 -6.632 498 HB2 LYS 69 2HB LYS 69 14.113 -8.569 -5.763 499 HB3 LYS 69 1HB LYS 69 15.834 -8.951 -5.687 500 HG2 LYS 69 2HG LYS 69 16.279 -7.105 -4.238 501 HG3 LYS 69 1HG LYS 69 14.685 -6.406 -4.526 502 HD2 LYS 69 2HD LYS 69 13.597 -8.020 -3.220 503 HD3 LYS 69 1HD LYS 69 14.933 -9.165 -3.350 504 HE2 LYS 69 2HE LYS 69 16.322 -7.792 -1.889 505 HE3 LYS 69 1HE LYS 69 15.076 -6.529 -1.842 506 HZ1 LYS 69 3HZ LYS 69 14.936 -8.061 0.068 507 HZ2 LYS 69 1HZ LYS 69 14.659 -9.350 -1.001 508 HZ3 LYS 69 2HZ LYS 69 13.531 -8.084 -0.888 509 H ALA 70 H ALA 70 14.379 -9.167 -8.290 510 HA ALA 70 HA ALA 70 16.833 -10.195 -9.447 511 HB1 ALA 70 1HB ALA 70 15.383 -11.796 -10.383 512 HB2 ALA 70 2HB ALA 70 14.058 -10.643 -10.532 513 HB3 ALA 70 3HB ALA 70 14.497 -11.282 -8.948 514 H PHE 71 H PHE 71 14.333 -7.931 -10.488 515 HA PHE 71 HA PHE 71 14.923 -7.793 -13.269 516 HB2 PHE 71 2HB PHE 71 13.203 -6.615 -11.454 517 HB3 PHE 71 1HB PHE 71 14.223 -5.260 -11.933 518 HD1 PHE 71 1HD PHE 71 12.486 -8.193 -13.514 519 HD2 PHE 71 2HD PHE 71 13.585 -4.052 -13.811 520 HE1 PHE 71 1HE PHE 71 11.251 -8.020 -15.658 521 HE2 PHE 71 2HE PHE 71 12.350 -3.878 -15.956 522 HZ PHE 71 HZ PHE 71 11.184 -5.862 -16.879 523 H LYS 72 H LYS 72 15.996 -5.480 -10.740 524 HA LYS 72 HA LYS 72 17.919 -4.138 -12.368 525 HB2 LYS 72 2HB LYS 72 18.735 -3.307 -10.178 526 HB3 LYS 72 1HB LYS 72 16.974 -3.294 -10.248 527 HG2 LYS 72 2HG LYS 72 17.246 -5.731 -9.229 528 HG3 LYS 72 1HG LYS 72 18.794 -5.087 -8.687 529 HD2 LYS 72 2HD LYS 72 17.225 -3.028 -7.973 530 HD3 LYS 72 1HD LYS 72 16.035 -4.325 -7.865 531 HE2 LYS 72 2HE LYS 72 16.977 -4.370 -5.713 532 HE3 LYS 72 1HE LYS 72 17.978 -5.572 -6.554 533 HZ1 LYS 72 3HZ LYS 72 18.621 -2.675 -6.435 534 HZ2 LYS 72 1HZ LYS 72 19.604 -3.918 -7.039 535 HZ3 LYS 72 2HZ LYS 72 19.280 -3.826 -5.374 536 H ASP 73 H ASP 73 18.108 -7.133 -10.543 537 HA ASP 73 HA ASP 73 20.986 -7.353 -10.452 538 HB2 ASP 73 2HB ASP 73 19.186 -8.559 -9.090 539 HB3 ASP 73 1HB ASP 73 18.945 -9.590 -10.502 540 H ILE 74 H ILE 74 18.544 -8.833 -12.626 541 HA ILE 74 HA ILE 74 20.174 -10.343 -14.314 542 HB ILE 74 HB ILE 74 17.781 -8.589 -14.963 543 HG12 ILE 74 2HG1 ILE 74 17.629 -11.549 -14.639 544 HG13 ILE 74 1HG1 ILE 74 17.858 -10.597 -13.172 545 HG21 ILE 74 1HG2 ILE 74 17.434 -10.061 -16.888 546 HG22 ILE 74 2HG2 ILE 74 18.872 -10.991 -16.465 547 HG23 ILE 74 3HG2 ILE 74 19.029 -9.317 -16.997 548 HD11 ILE 74 3HD1 ILE 74 15.915 -9.138 -14.363 549 HD12 ILE 74 1HD1 ILE 74 15.573 -10.464 -13.253 550 HD13 ILE 74 2HD1 ILE 74 15.517 -10.736 -14.995 551 H ASP 75 H ASP 75 19.560 -6.831 -14.505 552 HA ASP 75 HA ASP 75 20.929 -6.262 -16.929 553 HB2 ASP 75 2HB ASP 75 20.414 -4.776 -14.350 554 HB3 ASP 75 1HB ASP 75 21.278 -4.007 -15.683 555 H ALA 76 H ALA 76 22.139 -6.599 -13.607 556 HA ALA 76 HA ALA 76 24.795 -5.703 -13.928 557 HB1 ALA 76 1HB ALA 76 24.209 -8.139 -12.298 558 HB2 ALA 76 2HB ALA 76 23.306 -6.669 -11.930 559 HB3 ALA 76 3HB ALA 76 25.068 -6.667 -11.843 560 H ALA 77 H ALA 77 23.285 -8.622 -15.135 561 HA ALA 77 HA ALA 77 25.904 -9.890 -15.725 562 HB1 ALA 77 1HB ALA 77 23.030 -10.755 -16.192 563 HB2 ALA 77 2HB ALA 77 24.006 -11.179 -14.784 564 HB3 ALA 77 3HB ALA 77 24.454 -11.780 -16.381 565 H ILE 78 H ILE 78 23.437 -7.978 -17.278 566 HA ILE 78 HA ILE 78 23.981 -8.849 -20.003 567 HB ILE 78 HB ILE 78 22.696 -6.334 -18.887 568 HG12 ILE 78 2HG1 ILE 78 21.407 -8.917 -19.828 569 HG13 ILE 78 1HG1 ILE 78 21.685 -8.520 -18.132 570 HG21 ILE 78 1HG2 ILE 78 23.138 -5.932 -21.176 571 HG22 ILE 78 2HG2 ILE 78 21.476 -6.524 -21.158 572 HG23 ILE 78 3HG2 ILE 78 22.792 -7.603 -21.623 573 HD11 ILE 78 3HD1 ILE 78 20.450 -6.254 -18.895 574 HD12 ILE 78 1HD1 ILE 78 19.561 -7.664 -18.318 575 HD13 ILE 78 2HD1 ILE 78 19.720 -7.370 -20.050 576 H ILE 79 H ILE 79 25.757 -6.939 -17.812 577 HA ILE 79 HA ILE 79 27.093 -5.447 -20.041 578 HB ILE 79 HB ILE 79 27.004 -4.970 -17.040 579 HG12 ILE 79 2HG1 ILE 79 25.644 -3.499 -19.325 580 HG13 ILE 79 1HG1 ILE 79 24.836 -4.621 -18.231 581 HG21 ILE 79 1HG2 ILE 79 27.800 -2.822 -18.923 582 HG22 ILE 79 2HG2 ILE 79 28.961 -4.137 -18.742 583 HG23 ILE 79 3HG2 ILE 79 28.442 -3.219 -17.329 584 HD11 ILE 79 3HD1 ILE 79 24.431 -2.818 -16.925 585 HD12 ILE 79 1HD1 ILE 79 25.595 -1.825 -17.800 586 HD13 ILE 79 2HD1 ILE 79 26.141 -2.884 -16.500 587 H GLN 80 H GLN 80 27.654 -7.451 -17.153 588 HA GLN 80 HA GLN 80 30.559 -7.614 -17.705 589 HB2 GLN 80 2HB GLN 80 28.643 -8.611 -15.589 590 HB3 GLN 80 1HB GLN 80 30.316 -9.169 -15.636 591 HG2 GLN 80 2HG GLN 80 31.097 -6.826 -15.529 592 HG3 GLN 80 1HG GLN 80 29.422 -6.276 -15.456 593 HE21 GLN 80 1HE2 GLN 80 28.112 -7.397 -13.570 594 HE22 GLN 80 2HE2 GLN 80 28.938 -7.566 -12.097 595 H ASN 81 H ASN 81 27.627 -9.541 -18.000 596 HA ASN 81 HA ASN 81 29.210 -11.795 -19.190 597 HB2 ASN 81 2HB ASN 81 26.804 -11.526 -17.465 598 HB3 ASN 81 1HB ASN 81 26.722 -12.788 -18.695 599 HD21 ASN 81 1HD2 ASN 81 27.128 -12.928 -15.640 600 HD22 ASN 81 2HD2 ASN 81 28.515 -13.889 -15.455 601 H PHE 82 H PHE 82 27.243 -9.191 -20.016 602 HA PHE 82 HA PHE 82 26.135 -8.558 -21.955 603 HB2 PHE 82 2HB PHE 82 27.184 -9.227 -23.870 604 HB3 PHE 82 1HB PHE 82 28.310 -9.951 -22.739 605 HD1 PHE 82 2HD PHE 82 25.097 -10.794 -24.523 606 HD2 PHE 82 1HD PHE 82 28.889 -12.189 -23.058 607 HE1 PHE 82 2HE PHE 82 24.681 -13.010 -25.551 608 HE2 PHE 82 1HE PHE 82 28.475 -14.401 -24.098 609 HZ PHE 82 HZ PHE 82 26.369 -14.812 -25.341 610 H ARG 83 H ARG 83 25.527 -11.670 -20.557 611 HA ARG 83 HA ARG 83 23.659 -13.092 -20.615 612 HB2 ARG 83 2HB ARG 83 22.696 -10.241 -20.643 613 HB3 ARG 83 1HB ARG 83 21.565 -11.584 -20.478 614 HG2 ARG 83 2HG ARG 83 24.000 -11.312 -18.713 615 HG3 ARG 83 1HG ARG 83 22.454 -10.572 -18.296 616 HD2 ARG 83 2HD ARG 83 22.870 -13.533 -18.850 617 HD3 ARG 83 1HD ARG 83 22.672 -12.807 -17.243 618 HE ARG 83 HE ARG 83 20.500 -11.836 -18.645 619 HH11 ARG 83 1HH2 ARG 83 21.796 -15.017 -18.062 620 HH12 ARG 83 2HH2 ARG 83 20.247 -15.783 -18.153 621 HH21 ARG 83 1HH1 ARG 83 18.504 -12.855 -18.757 622 HH22 ARG 83 2HH1 ARG 83 18.398 -14.571 -18.543 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 15.644 6.703 -18.335 2 H2 GLY 1 2HT GLY 1 16.066 8.222 -17.702 3 H3 GLY 1 3HT GLY 1 16.722 6.806 -17.031 4 HA2 GLY 1 2HA GLY 1 18.402 7.795 -18.368 5 HA3 GLY 1 1HA GLY 1 17.818 6.350 -19.194 6 H SER 2 H SER 2 19.023 8.812 -20.343 7 HA SER 2 HA SER 2 17.143 10.534 -21.576 8 HB2 SER 2 2HB SER 2 19.915 9.572 -22.055 9 HB3 SER 2 1HB SER 2 19.117 10.349 -23.419 10 HG SER 2 HG SER 2 20.031 11.977 -22.269 11 H HIS 3 H HIS 3 18.020 7.216 -22.342 12 HA HIS 3 HA HIS 3 15.980 7.241 -24.537 13 HB2 HIS 3 2HB HIS 3 18.760 6.019 -24.523 14 HB3 HIS 3 1HB HIS 3 17.569 5.768 -25.800 15 HD1 HIS 3 1HD HIS 3 17.039 7.772 -27.362 16 HD2 HIS 3 2HD HIS 3 19.930 8.620 -24.480 17 HE1 HIS 3 1HE HIS 3 18.098 9.971 -28.035 18 H MET 4 H MET 4 16.041 6.278 -21.645 19 HA MET 4 HA MET 4 15.352 4.383 -20.415 20 HB2 MET 4 2HB MET 4 14.240 3.772 -23.172 21 HB3 MET 4 1HB MET 4 13.708 3.000 -21.677 22 HG2 MET 4 2HG MET 4 12.868 5.066 -20.803 23 HG3 MET 4 1HG MET 4 13.652 5.999 -22.077 24 HE1 MET 4 3HE MET 4 11.912 5.441 -25.202 25 HE2 MET 4 1HE MET 4 13.356 5.885 -24.283 26 HE3 MET 4 2HE MET 4 11.906 6.882 -24.190 27 H ALA 5 H ALA 5 17.955 4.058 -20.896 28 HA ALA 5 HA ALA 5 18.308 1.188 -21.116 29 HB1 ALA 5 1HB ALA 5 19.855 1.602 -23.221 30 HB2 ALA 5 2HB ALA 5 18.823 3.014 -23.444 31 HB3 ALA 5 3HB ALA 5 18.116 1.399 -23.434 32 H THR 6 H THR 6 19.313 1.931 -19.030 33 HA THR 6 HA THR 6 22.095 2.969 -19.470 34 HB THR 6 HB THR 6 21.726 3.913 -17.102 35 HG1 THR 6 1HG THR 6 19.586 4.092 -16.484 36 HG21 THR 6 3HG2 THR 6 19.731 5.179 -18.910 37 HG22 THR 6 1HG2 THR 6 21.375 5.020 -19.530 38 HG23 THR 6 2HG2 THR 6 21.079 5.906 -18.034 39 HA PRO 7 HA PRO 7 23.317 -0.784 -17.476 40 HB2 PRO 7 2HB PRO 7 25.766 -0.002 -16.501 41 HB3 PRO 7 1HB PRO 7 25.474 -0.414 -18.199 42 HG2 PRO 7 2HG PRO 7 25.706 2.251 -16.915 43 HG3 PRO 7 1HG PRO 7 26.239 1.715 -18.514 44 HD2 PRO 7 2HD PRO 7 23.992 3.206 -18.083 45 HD3 PRO 7 1HD PRO 7 24.203 2.113 -19.467 46 H TRP 8 H TRP 8 23.901 -1.596 -15.266 47 HA TRP 8 HA TRP 8 23.092 -1.742 -13.034 48 HB2 TRP 8 2HB TRP 8 24.370 0.280 -11.770 49 HB3 TRP 8 1HB TRP 8 25.185 -1.168 -12.340 50 HD1 TRP 8 HD TRP 8 24.485 2.463 -13.437 51 HE1 TRP 8 1HE TRP 8 26.392 3.210 -15.003 52 HE3 TRP 8 3HE TRP 8 27.086 -1.914 -13.805 53 HZ2 TRP 8 2HZ TRP 8 28.716 2.095 -16.244 54 HZ3 TRP 8 3HZ TRP 8 29.144 -2.042 -15.179 55 HH2 TRP 8 HH TRP 8 29.962 -0.045 -16.398 56 H SER 9 H SER 9 21.133 -0.338 -14.598 57 HA SER 9 HA SER 9 20.318 1.987 -12.953 58 HB2 SER 9 2HB SER 9 19.924 2.398 -15.204 59 HB3 SER 9 1HB SER 9 19.592 0.707 -15.560 60 HG SER 9 HG SER 9 17.682 1.908 -15.627 61 H GLY 10 H GLY 10 18.052 -0.399 -14.260 62 HA2 GLY 10 2HA GLY 10 16.447 -1.745 -13.225 63 HA3 GLY 10 1HA GLY 10 17.517 -1.797 -11.823 64 H TYR 11 H TYR 11 17.487 0.169 -10.429 65 HA TYR 11 HA TYR 11 14.700 0.985 -9.928 66 HB2 TYR 11 2HB TYR 11 17.345 1.057 -8.536 67 HB3 TYR 11 1HB TYR 11 16.093 2.174 -7.989 68 HD1 TYR 11 2HD TYR 11 16.315 -1.416 -9.086 69 HD2 TYR 11 1HD TYR 11 14.751 1.411 -6.255 70 HE1 TYR 11 2HE TYR 11 15.203 -3.261 -7.857 71 HE2 TYR 11 1HE TYR 11 13.640 -0.435 -5.026 72 HH TYR 11 HH TYR 11 14.012 -2.951 -4.762 73 H LEU 12 H LEU 12 17.446 2.314 -11.545 74 HA LEU 12 HA LEU 12 17.121 5.102 -11.070 75 HB2 LEU 12 2HB LEU 12 18.270 3.319 -13.166 76 HB3 LEU 12 1HB LEU 12 18.031 5.010 -13.605 77 HG LEU 12 HG LEU 12 19.265 5.657 -11.511 78 HD11 LEU 12 1HD1 LEU 12 19.398 2.670 -11.317 79 HD12 LEU 12 2HD1 LEU 12 19.173 3.865 -10.040 80 HD13 LEU 12 3HD1 LEU 12 20.772 3.613 -10.739 81 HD21 LEU 12 3HD2 LEU 12 20.421 5.593 -13.679 82 HD22 LEU 12 1HD2 LEU 12 20.736 3.870 -13.477 83 HD23 LEU 12 2HD2 LEU 12 21.503 5.039 -12.402 84 H ASP 13 H ASP 13 15.232 2.863 -12.996 85 HA ASP 13 HA ASP 13 13.128 4.834 -13.412 86 HB2 ASP 13 2HB ASP 13 15.065 5.313 -15.076 87 HB3 ASP 13 1HB ASP 13 14.528 3.848 -15.899 88 H ASP 14 H ASP 14 14.552 1.745 -14.474 89 HA ASP 14 HA ASP 14 12.281 0.486 -15.570 90 HB2 ASP 14 2HB ASP 14 14.860 -0.255 -14.361 91 HB3 ASP 14 1HB ASP 14 13.641 -1.529 -14.304 92 H VAL 15 H VAL 15 13.439 -0.633 -12.470 93 HA VAL 15 HA VAL 15 11.048 -1.705 -11.512 94 HB VAL 15 HB VAL 15 13.311 -0.355 -10.024 95 HG11 VAL 15 1HG1 VAL 15 11.228 -2.376 -9.191 96 HG12 VAL 15 2HG1 VAL 15 11.484 -0.764 -8.524 97 HG13 VAL 15 3HG1 VAL 15 12.681 -2.031 -8.253 98 HG21 VAL 15 3HG2 VAL 15 12.971 -2.972 -11.422 99 HG22 VAL 15 1HG2 VAL 15 13.906 -2.954 -9.926 100 HG23 VAL 15 2HG2 VAL 15 14.400 -1.950 -11.288 101 H SER 16 H SER 16 12.265 1.606 -11.115 102 HA SER 16 HA SER 16 10.444 2.621 -9.247 103 HB2 SER 16 2HB SER 16 12.234 3.956 -9.956 104 HB3 SER 16 1HB SER 16 11.871 3.700 -11.660 105 HG SER 16 HG SER 16 10.315 5.177 -9.790 106 H ALA 17 H ALA 17 9.900 1.998 -12.708 107 HA ALA 17 HA ALA 17 7.337 3.378 -12.833 108 HB1 ALA 17 1HB ALA 17 7.342 1.640 -14.919 109 HB2 ALA 17 2HB ALA 17 9.060 1.643 -14.519 110 HB3 ALA 17 3HB ALA 17 8.248 3.154 -14.926 111 H LYS 18 H LYS 18 8.346 0.024 -12.265 112 HA LYS 18 HA LYS 18 5.534 -0.916 -12.114 113 HB2 LYS 18 2HB LYS 18 8.214 -2.286 -11.684 114 HB3 LYS 18 1HB LYS 18 6.657 -3.108 -11.796 115 HG2 LYS 18 2HG LYS 18 7.694 -1.308 -13.993 116 HG3 LYS 18 1HG LYS 18 8.045 -3.036 -13.945 117 HD2 LYS 18 2HD LYS 18 5.722 -3.604 -14.088 118 HD3 LYS 18 1HD LYS 18 5.230 -1.933 -13.808 119 HE2 LYS 18 2HE LYS 18 5.729 -1.279 -15.975 120 HE3 LYS 18 1HE LYS 18 7.009 -2.495 -16.156 121 HZ1 LYS 18 3HZ LYS 18 4.142 -3.190 -15.844 122 HZ2 LYS 18 1HZ LYS 18 5.414 -4.221 -16.285 123 HZ3 LYS 18 2HZ LYS 18 4.888 -3.016 -17.360 124 H PHE 19 H PHE 19 8.206 -0.048 -10.048 125 HA PHE 19 HA PHE 19 6.910 -1.079 -7.601 126 HB2 PHE 19 2HB PHE 19 9.495 -0.833 -8.497 127 HB3 PHE 19 1HB PHE 19 9.353 0.590 -7.468 128 HD1 PHE 19 2HD PHE 19 7.962 0.035 -5.188 129 HD2 PHE 19 1HD PHE 19 10.301 -2.748 -7.473 130 HE1 PHE 19 2HE PHE 19 8.216 -1.397 -3.177 131 HE2 PHE 19 1HE PHE 19 10.558 -4.181 -5.462 132 HZ PHE 19 HZ PHE 19 9.517 -3.505 -3.316 133 H ASP 20 H ASP 20 8.317 2.096 -8.595 134 HA ASP 20 HA ASP 20 6.894 3.553 -6.539 135 HB2 ASP 20 2HB ASP 20 8.945 3.973 -8.444 136 HB3 ASP 20 1HB ASP 20 7.694 5.158 -8.820 137 H THR 21 H THR 21 6.563 4.121 -10.058 138 HA THR 21 HA THR 21 3.970 5.276 -9.912 139 HB THR 21 HB THR 21 5.272 3.702 -12.159 140 HG1 THR 21 1HG THR 21 6.534 5.354 -12.366 141 HG21 THR 21 3HG2 THR 21 3.917 5.554 -13.453 142 HG22 THR 21 1HG2 THR 21 2.940 5.577 -11.985 143 HG23 THR 21 2HG2 THR 21 3.105 4.086 -12.911 144 H GLY 22 H GLY 22 4.973 1.901 -10.417 145 HA2 GLY 22 2HA GLY 22 2.406 0.799 -10.959 146 HA3 GLY 22 1HA GLY 22 3.760 -0.099 -10.279 147 H VAL 23 H VAL 23 4.166 0.512 -7.843 148 HA VAL 23 HA VAL 23 1.868 -0.313 -6.363 149 HB VAL 23 HB VAL 23 4.353 1.146 -5.439 150 HG11 VAL 23 1HG1 VAL 23 3.916 0.270 -3.289 151 HG12 VAL 23 2HG1 VAL 23 2.734 -0.882 -3.912 152 HG13 VAL 23 3HG1 VAL 23 2.345 0.837 -3.854 153 HG21 VAL 23 3HG2 VAL 23 4.220 -1.259 -6.827 154 HG22 VAL 23 1HG2 VAL 23 4.251 -1.771 -5.140 155 HG23 VAL 23 2HG2 VAL 23 5.545 -0.758 -5.778 156 H ASP 24 H ASP 24 3.297 2.937 -6.829 157 HA ASP 24 HA ASP 24 1.560 4.393 -5.099 158 HB2 ASP 24 2HB ASP 24 3.625 5.232 -6.238 159 HB3 ASP 24 1HB ASP 24 2.755 5.210 -7.772 160 H ASN 25 H ASN 25 1.203 3.336 -8.469 161 HA ASN 25 HA ASN 25 -1.281 4.653 -9.040 162 HB2 ASN 25 2HB ASN 25 0.301 2.328 -10.080 163 HB3 ASN 25 1HB ASN 25 -1.364 2.510 -10.633 164 HD21 ASN 25 1HD2 ASN 25 1.139 2.919 -12.225 165 HD22 ASN 25 2HD2 ASN 25 1.074 4.523 -12.776 166 H LEU 26 H LEU 26 -0.502 1.418 -7.724 167 HA LEU 26 HA LEU 26 -3.235 0.526 -7.468 168 HB2 LEU 26 2HB LEU 26 -0.587 -0.405 -6.948 169 HB3 LEU 26 1HB LEU 26 -1.502 -0.587 -5.454 170 HG LEU 26 HG LEU 26 -2.410 -1.580 -8.159 171 HD11 LEU 26 1HD1 LEU 26 -0.918 -3.230 -7.762 172 HD12 LEU 26 2HD1 LEU 26 -2.072 -3.780 -6.549 173 HD13 LEU 26 3HD1 LEU 26 -0.713 -2.761 -6.077 174 HD21 LEU 26 3HD2 LEU 26 -3.786 -2.910 -6.131 175 HD22 LEU 26 1HD2 LEU 26 -4.430 -1.624 -7.152 176 HD23 LEU 26 2HD2 LEU 26 -3.728 -1.235 -5.582 177 H GLN 27 H GLN 27 -1.149 2.549 -5.475 178 HA GLN 27 HA GLN 27 -2.762 2.380 -3.059 179 HB2 GLN 27 2HB GLN 27 -0.372 3.752 -4.102 180 HB3 GLN 27 1HB GLN 27 -1.301 4.732 -2.966 181 HG2 GLN 27 2HG GLN 27 -1.333 2.412 -1.617 182 HG3 GLN 27 1HG GLN 27 0.173 2.185 -2.506 183 HE21 GLN 27 1HE2 GLN 27 1.969 3.598 -2.004 184 HE22 GLN 27 2HE2 GLN 27 1.943 4.648 -0.672 185 H THR 28 H THR 28 -2.584 4.585 -5.844 186 HA THR 28 HA THR 28 -4.620 6.382 -4.702 187 HB THR 28 HB THR 28 -2.670 7.097 -6.136 188 HG1 THR 28 1HG THR 28 -5.279 7.623 -7.108 189 HG21 THR 28 3HG2 THR 28 -4.271 5.678 -8.285 190 HG22 THR 28 1HG2 THR 28 -2.640 5.281 -7.749 191 HG23 THR 28 2HG2 THR 28 -2.942 6.791 -8.605 192 H GLN 29 H GLN 29 -4.467 3.650 -6.923 193 HA GLN 29 HA GLN 29 -6.915 3.981 -8.314 194 HB2 GLN 29 2HB GLN 29 -4.892 2.001 -7.899 195 HB3 GLN 29 1HB GLN 29 -6.452 1.224 -7.682 196 HG2 GLN 29 2HG GLN 29 -5.572 2.844 -10.088 197 HG3 GLN 29 1HG GLN 29 -5.820 1.100 -10.035 198 HE21 GLN 29 1HE2 GLN 29 -8.307 1.487 -8.276 199 HE22 GLN 29 2HE2 GLN 29 -9.505 2.013 -9.351 200 H VAL 30 H VAL 30 -6.317 2.178 -5.248 201 HA VAL 30 HA VAL 30 -9.099 1.558 -4.834 202 HB VAL 30 HB VAL 30 -8.214 1.525 -2.313 203 HG11 VAL 30 1HG1 VAL 30 -8.542 -0.323 -4.362 204 HG12 VAL 30 2HG1 VAL 30 -8.281 -0.692 -2.658 205 HG13 VAL 30 3HG1 VAL 30 -6.912 -0.641 -3.768 206 HG21 VAL 30 3HG2 VAL 30 -5.935 1.475 -1.999 207 HG22 VAL 30 1HG2 VAL 30 -6.009 2.630 -3.330 208 HG23 VAL 30 2HG2 VAL 30 -5.611 0.941 -3.649 209 H THR 31 H THR 31 -7.134 4.398 -4.162 210 HA THR 31 HA THR 31 -8.907 5.743 -2.351 211 HB THR 31 HB THR 31 -7.322 7.084 -4.552 212 HG1 THR 31 1HG THR 31 -5.544 6.854 -3.006 213 HG21 THR 31 3HG2 THR 31 -7.671 7.751 -1.619 214 HG22 THR 31 1HG2 THR 31 -8.693 8.400 -2.902 215 HG23 THR 31 2HG2 THR 31 -6.972 8.782 -2.867 216 H GLU 32 H GLU 32 -8.671 5.664 -5.913 217 HA GLU 32 HA GLU 32 -10.990 7.283 -6.478 218 HB2 GLU 32 2HB GLU 32 -9.767 4.937 -7.993 219 HB3 GLU 32 1HB GLU 32 -10.839 6.154 -8.683 220 HG2 GLU 32 2HG GLU 32 -8.132 6.732 -7.456 221 HG3 GLU 32 1HG GLU 32 -8.451 6.609 -9.184 222 H ALA 33 H ALA 33 -10.423 3.786 -6.170 223 HA ALA 33 HA ALA 33 -13.056 2.805 -6.490 224 HB1 ALA 33 1HB ALA 33 -10.826 1.562 -6.240 225 HB2 ALA 33 2HB ALA 33 -12.172 0.856 -5.349 226 HB3 ALA 33 3HB ALA 33 -10.970 1.825 -4.506 227 H LEU 34 H LEU 34 -11.560 4.557 -3.848 228 HA LEU 34 HA LEU 34 -13.564 3.931 -1.823 229 HB2 LEU 34 2HB LEU 34 -11.060 4.836 -1.736 230 HB3 LEU 34 1HB LEU 34 -11.859 6.405 -1.827 231 HG LEU 34 HG LEU 34 -13.347 5.593 0.094 232 HD11 LEU 34 1HD1 LEU 34 -11.110 3.673 0.675 233 HD12 LEU 34 2HD1 LEU 34 -12.447 3.163 -0.355 234 HD13 LEU 34 3HD1 LEU 34 -12.759 3.682 1.301 235 HD21 LEU 34 3HD2 LEU 34 -11.722 6.263 1.757 236 HD22 LEU 34 1HD2 LEU 34 -11.399 7.192 0.293 237 HD23 LEU 34 2HD2 LEU 34 -10.384 5.809 0.703 238 H ASP 35 H ASP 35 -12.784 6.946 -3.602 239 HA ASP 35 HA ASP 35 -15.163 8.370 -2.925 240 HB2 ASP 35 2HB ASP 35 -12.964 9.166 -3.986 241 HB3 ASP 35 1HB ASP 35 -13.606 8.571 -5.518 242 H LYS 36 H LYS 36 -14.491 5.916 -5.338 243 HA LYS 36 HA LYS 36 -17.001 6.307 -6.809 244 HB2 LYS 36 2HB LYS 36 -14.551 4.606 -6.904 245 HB3 LYS 36 1HB LYS 36 -15.992 3.957 -7.661 246 HG2 LYS 36 2HG LYS 36 -15.816 5.356 -9.415 247 HG3 LYS 36 1HG LYS 36 -15.643 6.755 -8.358 248 HD2 LYS 36 2HD LYS 36 -13.652 6.400 -9.823 249 HD3 LYS 36 1HD LYS 36 -13.255 6.325 -8.108 250 HE2 LYS 36 2HE LYS 36 -12.454 4.221 -8.359 251 HE3 LYS 36 1HE LYS 36 -14.003 3.686 -9.040 252 HZ1 LYS 36 3HZ LYS 36 -11.965 5.220 -10.562 253 HZ2 LYS 36 1HZ LYS 36 -13.379 4.513 -11.175 254 HZ3 LYS 36 2HZ LYS 36 -12.109 3.529 -10.623 255 H LEU 37 H LEU 37 -15.656 4.136 -4.333 256 HA LEU 37 HA LEU 37 -17.766 2.212 -4.255 257 HB2 LEU 37 2HB LEU 37 -15.826 1.660 -3.054 258 HB3 LEU 37 1HB LEU 37 -15.679 3.273 -2.363 259 HG LEU 37 HG LEU 37 -17.580 2.849 -0.878 260 HD11 LEU 37 1HD1 LEU 37 -18.807 1.350 -2.469 261 HD12 LEU 37 2HD1 LEU 37 -18.721 0.706 -0.830 262 HD13 LEU 37 3HD1 LEU 37 -17.657 0.069 -2.084 263 HD21 LEU 37 3HD2 LEU 37 -15.298 0.908 -0.947 264 HD22 LEU 37 1HD2 LEU 37 -16.570 0.683 0.253 265 HD23 LEU 37 2HD2 LEU 37 -15.644 2.183 0.220 266 H ALA 38 H ALA 38 -17.235 4.972 -2.049 267 HA ALA 38 HA ALA 38 -19.825 4.924 -0.850 268 HB1 ALA 38 1HB ALA 38 -19.090 6.922 0.140 269 HB2 ALA 38 2HB ALA 38 -18.223 7.430 -1.309 270 HB3 ALA 38 3HB ALA 38 -17.570 6.142 -0.297 271 H ALA 39 H ALA 39 -18.740 6.057 -3.961 272 HA ALA 39 HA ALA 39 -20.666 8.023 -4.651 273 HB1 ALA 39 1HB ALA 39 -19.876 5.877 -6.593 274 HB2 ALA 39 2HB ALA 39 -18.588 6.832 -5.862 275 HB3 ALA 39 3HB ALA 39 -19.849 7.629 -6.802 276 H LYS 40 H LYS 40 -20.767 4.545 -5.402 277 HA LYS 40 HA LYS 40 -23.684 4.630 -5.847 278 HB2 LYS 40 2HB LYS 40 -21.348 3.001 -6.525 279 HB3 LYS 40 1HB LYS 40 -22.698 2.002 -5.990 280 HG2 LYS 40 2HG LYS 40 -22.824 2.338 -8.409 281 HG3 LYS 40 1HG LYS 40 -24.170 3.165 -7.625 282 HD2 LYS 40 2HD LYS 40 -22.849 5.285 -7.685 283 HD3 LYS 40 1HD LYS 40 -21.589 4.437 -8.582 284 HE2 LYS 40 2HE LYS 40 -23.023 4.082 -10.464 285 HE3 LYS 40 1HE LYS 40 -24.466 4.542 -9.537 286 HZ1 LYS 40 3HZ LYS 40 -23.629 6.383 -10.911 287 HZ2 LYS 40 1HZ LYS 40 -22.151 6.326 -10.079 288 HZ3 LYS 40 2HZ LYS 40 -23.573 6.749 -9.252 289 HA PRO 41 HA PRO 41 -24.682 3.391 -1.707 290 HB2 PRO 41 2HB PRO 41 -26.812 1.673 -2.308 291 HB3 PRO 41 1HB PRO 41 -26.943 3.426 -2.080 292 HG2 PRO 41 2HG PRO 41 -26.853 1.847 -4.582 293 HG3 PRO 41 1HG PRO 41 -27.691 3.365 -4.229 294 HD2 PRO 41 2HD PRO 41 -25.428 3.244 -5.714 295 HD3 PRO 41 1HD PRO 41 -25.849 4.648 -4.707 296 H SER 42 H SER 42 -25.607 0.859 -0.884 297 HA SER 42 HA SER 42 -23.287 -0.750 -0.772 298 HB2 SER 42 2HB SER 42 -25.122 -1.091 0.741 299 HB3 SER 42 1HB SER 42 -26.251 -1.356 -0.584 300 HG SER 42 HG SER 42 -25.688 -3.372 -0.566 301 H ASP 43 H ASP 43 -22.358 -0.951 -2.895 302 HA ASP 43 HA ASP 43 -23.976 -2.499 -4.879 303 HB2 ASP 43 2HB ASP 43 -21.956 -0.313 -4.976 304 HB3 ASP 43 1HB ASP 43 -21.941 -1.472 -6.306 305 HA PRO 44 HA PRO 44 -21.076 -5.822 -4.596 306 HB2 PRO 44 2HB PRO 44 -21.383 -6.872 -7.112 307 HB3 PRO 44 1HB PRO 44 -22.598 -7.060 -5.836 308 HG2 PRO 44 2HG PRO 44 -22.586 -5.293 -8.193 309 HG3 PRO 44 1HG PRO 44 -23.947 -6.049 -7.356 310 HD2 PRO 44 2HD PRO 44 -23.186 -3.396 -7.123 311 HD3 PRO 44 1HD PRO 44 -24.218 -4.277 -5.977 312 H ALA 45 H ALA 45 -21.059 -4.027 -7.623 313 HA ALA 45 HA ALA 45 -18.428 -4.831 -8.465 314 HB1 ALA 45 1HB ALA 45 -20.557 -2.870 -9.193 315 HB2 ALA 45 2HB ALA 45 -19.931 -4.236 -10.116 316 HB3 ALA 45 3HB ALA 45 -18.986 -2.751 -9.984 317 H LEU 46 H LEU 46 -19.608 -1.624 -7.310 318 HA LEU 46 HA LEU 46 -17.169 -0.246 -7.243 319 HB2 LEU 46 2HB LEU 46 -19.794 -0.160 -5.924 320 HB3 LEU 46 1HB LEU 46 -18.521 0.574 -4.959 321 HG LEU 46 HG LEU 46 -19.523 2.286 -6.354 322 HD11 LEU 46 1HD1 LEU 46 -17.605 3.172 -7.406 323 HD12 LEU 46 2HD1 LEU 46 -16.922 1.580 -7.712 324 HD13 LEU 46 3HD1 LEU 46 -16.986 2.210 -6.065 325 HD21 LEU 46 3HD2 LEU 46 -18.894 0.408 -8.640 326 HD22 LEU 46 1HD2 LEU 46 -19.380 2.090 -8.849 327 HD23 LEU 46 2HD2 LEU 46 -20.491 0.938 -8.107 328 H LEU 47 H LEU 47 -18.620 -1.928 -4.439 329 HA LEU 47 HA LEU 47 -16.403 -1.786 -2.675 330 HB2 LEU 47 2HB LEU 47 -18.951 -2.703 -2.619 331 HB3 LEU 47 1HB LEU 47 -18.090 -4.239 -2.716 332 HG LEU 47 HG LEU 47 -16.599 -3.076 -0.824 333 HD11 LEU 47 1HD1 LEU 47 -17.544 -1.046 -0.352 334 HD12 LEU 47 2HD1 LEU 47 -18.633 -2.020 0.635 335 HD13 LEU 47 3HD1 LEU 47 -19.121 -1.520 -0.984 336 HD21 LEU 47 3HD2 LEU 47 -17.761 -5.218 -0.588 337 HD22 LEU 47 1HD2 LEU 47 -19.306 -4.388 -0.412 338 HD23 LEU 47 2HD2 LEU 47 -18.072 -4.228 0.837 339 H ALA 48 H ALA 48 -17.341 -4.415 -4.910 340 HA ALA 48 HA ALA 48 -15.150 -6.176 -4.485 341 HB1 ALA 48 1HB ALA 48 -15.720 -6.831 -6.888 342 HB2 ALA 48 2HB ALA 48 -16.863 -5.488 -6.884 343 HB3 ALA 48 3HB ALA 48 -17.077 -6.833 -5.763 344 H ALA 49 H ALA 49 -15.458 -3.243 -6.375 345 HA ALA 49 HA ALA 49 -13.083 -3.526 -7.967 346 HB1 ALA 49 1HB ALA 49 -13.615 -1.320 -8.607 347 HB2 ALA 49 2HB ALA 49 -14.313 -0.940 -7.032 348 HB3 ALA 49 3HB ALA 49 -15.174 -2.001 -8.148 349 H TYR 50 H TYR 50 -13.662 -1.381 -5.102 350 HA TYR 50 HA TYR 50 -10.951 -0.647 -4.698 351 HB2 TYR 50 2HB TYR 50 -12.986 0.313 -3.607 352 HB3 TYR 50 1HB TYR 50 -13.104 -1.141 -2.619 353 HD1 TYR 50 1HD TYR 50 -10.877 -1.782 -1.302 354 HD2 TYR 50 2HD TYR 50 -11.821 2.133 -2.781 355 HE1 TYR 50 1HE TYR 50 -9.286 -0.786 0.306 356 HE2 TYR 50 2HE TYR 50 -10.230 3.130 -1.179 357 HH TYR 50 HH TYR 50 -7.877 1.556 0.295 358 H GLN 51 H GLN 51 -12.734 -3.531 -3.597 359 HA GLN 51 HA GLN 51 -10.609 -4.564 -1.921 360 HB2 GLN 51 2HB GLN 51 -13.015 -5.760 -3.327 361 HB3 GLN 51 1HB GLN 51 -11.983 -6.692 -2.241 362 HG2 GLN 51 2HG GLN 51 -12.404 -4.704 -0.580 363 HG3 GLN 51 1HG GLN 51 -13.805 -4.388 -1.605 364 HE21 GLN 51 1HE2 GLN 51 -15.423 -6.171 -1.818 365 HE22 GLN 51 2HE2 GLN 51 -15.542 -7.347 -0.599 366 H SER 52 H SER 52 -11.696 -5.290 -5.257 367 HA SER 52 HA SER 52 -9.852 -7.229 -6.048 368 HB2 SER 52 2HB SER 52 -11.743 -6.283 -7.378 369 HB3 SER 52 1HB SER 52 -10.826 -4.794 -7.593 370 HG SER 52 HG SER 52 -10.460 -6.077 -9.370 371 H LYS 53 H LYS 53 -9.434 -3.694 -6.006 372 HA LYS 53 HA LYS 53 -6.667 -3.785 -6.920 373 HB2 LYS 53 2HB LYS 53 -8.746 -1.846 -6.212 374 HB3 LYS 53 1HB LYS 53 -7.167 -1.356 -5.600 375 HG2 LYS 53 2HG LYS 53 -6.626 -0.660 -7.668 376 HG3 LYS 53 1HG LYS 53 -6.706 -2.329 -8.217 377 HD2 LYS 53 2HD LYS 53 -9.204 -2.027 -8.490 378 HD3 LYS 53 1HD LYS 53 -8.966 -0.310 -8.180 379 HE2 LYS 53 2HE LYS 53 -7.358 -0.223 -10.103 380 HE3 LYS 53 1HE LYS 53 -7.752 -1.918 -10.456 381 HZ1 LYS 53 3HZ LYS 53 -9.147 -0.227 -11.660 382 HZ2 LYS 53 1HZ LYS 53 -9.817 0.191 -10.159 383 HZ3 LYS 53 2HZ LYS 53 -10.017 -1.383 -10.768 384 H LEU 54 H LEU 54 -8.360 -3.829 -3.842 385 HA LEU 54 HA LEU 54 -6.159 -3.243 -2.096 386 HB2 LEU 54 2HB LEU 54 -8.732 -3.432 -1.715 387 HB3 LEU 54 1HB LEU 54 -8.424 -5.152 -1.499 388 HG LEU 54 HG LEU 54 -6.610 -4.424 0.184 389 HD11 LEU 54 1HD1 LEU 54 -6.285 -2.170 0.148 390 HD12 LEU 54 2HD1 LEU 54 -7.720 -2.114 1.172 391 HD13 LEU 54 3HD1 LEU 54 -7.866 -1.859 -0.567 392 HD21 LEU 54 3HD2 LEU 54 -8.546 -3.882 1.896 393 HD22 LEU 54 1HD2 LEU 54 -8.467 -5.472 1.139 394 HD23 LEU 54 2HD2 LEU 54 -9.592 -4.259 0.527 395 H SER 55 H SER 55 -7.657 -6.443 -2.690 396 HA SER 55 HA SER 55 -5.660 -8.092 -1.624 397 HB2 SER 55 2HB SER 55 -6.550 -9.685 -3.494 398 HB3 SER 55 1HB SER 55 -7.693 -9.077 -2.300 399 HG SER 55 HG SER 55 -7.978 -8.874 -4.818 400 H GLU 56 H GLU 56 -5.862 -6.741 -4.912 401 HA GLU 56 HA GLU 56 -3.480 -8.003 -5.940 402 HB2 GLU 56 2HB GLU 56 -5.411 -6.888 -7.188 403 HB3 GLU 56 1HB GLU 56 -4.704 -5.340 -6.725 404 HG2 GLU 56 2HG GLU 56 -3.714 -5.674 -8.804 405 HG3 GLU 56 1HG GLU 56 -2.502 -6.379 -7.734 406 H TYR 57 H TYR 57 -4.141 -4.998 -4.202 407 HA TYR 57 HA TYR 57 -1.495 -3.860 -4.534 408 HB2 TYR 57 2HB TYR 57 -3.537 -2.555 -4.110 409 HB3 TYR 57 1HB TYR 57 -3.729 -3.346 -2.549 410 HD1 TYR 57 2HD TYR 57 -0.670 -2.005 -4.276 411 HD2 TYR 57 1HD TYR 57 -3.336 -1.768 -0.925 412 HE1 TYR 57 2HE TYR 57 0.852 -0.382 -3.173 413 HE2 TYR 57 1HE TYR 57 -1.819 -0.149 0.185 414 HH TYR 57 HH TYR 57 0.681 0.404 0.058 415 H ASN 58 H ASN 58 -3.142 -5.385 -1.722 416 HA ASN 58 HA ASN 58 -1.003 -5.365 0.104 417 HB2 ASN 58 2HB ASN 58 -3.436 -7.000 -0.422 418 HB3 ASN 58 1HB ASN 58 -2.242 -7.724 0.656 419 HD21 ASN 58 1HD2 ASN 58 -5.000 -5.995 0.854 420 HD22 ASN 58 2HD2 ASN 58 -4.677 -5.043 2.222 421 H LEU 59 H LEU 59 -1.773 -7.789 -2.405 422 HA LEU 59 HA LEU 59 0.520 -9.487 -1.879 423 HB2 LEU 59 2HB LEU 59 -1.727 -9.923 -3.140 424 HB3 LEU 59 1HB LEU 59 -0.934 -9.160 -4.516 425 HG LEU 59 HG LEU 59 -0.702 -11.628 -4.573 426 HD11 LEU 59 1HD1 LEU 59 2.048 -10.654 -3.922 427 HD12 LEU 59 2HD1 LEU 59 1.169 -9.843 -5.218 428 HD13 LEU 59 3HD1 LEU 59 1.483 -11.575 -5.316 429 HD21 LEU 59 3HD2 LEU 59 0.269 -12.868 -2.858 430 HD22 LEU 59 1HD2 LEU 59 -0.586 -11.634 -1.932 431 HD23 LEU 59 2HD2 LEU 59 1.149 -11.482 -2.213 432 H TYR 60 H TYR 60 -0.174 -6.708 -3.928 433 HA TYR 60 HA TYR 60 1.993 -6.575 -5.694 434 HB2 TYR 60 2HB TYR 60 -0.053 -4.968 -4.797 435 HB3 TYR 60 1HB TYR 60 1.355 -4.080 -4.246 436 HD1 TYR 60 2HD TYR 60 0.314 -5.995 -7.310 437 HD2 TYR 60 1HD TYR 60 2.132 -2.470 -5.674 438 HE1 TYR 60 2HE TYR 60 0.612 -5.085 -9.594 439 HE2 TYR 60 1HE TYR 60 2.427 -1.560 -7.950 440 HH TYR 60 HH TYR 60 1.217 -1.938 -10.260 441 H ARG 61 H ARG 61 1.878 -5.145 -2.411 442 HA ARG 61 HA ARG 61 4.440 -4.152 -2.106 443 HB2 ARG 61 2HB ARG 61 2.260 -4.733 -0.514 444 HB3 ARG 61 1HB ARG 61 3.518 -5.744 0.193 445 HG2 ARG 61 2HG ARG 61 3.976 -3.798 1.331 446 HG3 ARG 61 1HG ARG 61 4.937 -3.484 -0.115 447 HD2 ARG 61 2HD ARG 61 2.581 -2.530 -0.996 448 HD3 ARG 61 1HD ARG 61 2.361 -2.248 0.744 449 HE ARG 61 HE ARG 61 4.281 -0.881 -0.965 450 HH11 ARG 61 1HH2 ARG 61 3.654 -2.052 2.255 451 HH12 ARG 61 2HH2 ARG 61 4.717 -0.907 2.997 452 HH21 ARG 61 1HH1 ARG 61 5.653 0.594 0.022 453 HH22 ARG 61 2HH1 ARG 61 5.841 0.581 1.743 454 H ASN 62 H ASN 62 3.509 -7.586 -1.682 455 HA ASN 62 HA ASN 62 6.241 -8.414 -1.035 456 HB2 ASN 62 2HB ASN 62 3.700 -9.902 -1.776 457 HB3 ASN 62 1HB ASN 62 5.167 -10.673 -1.172 458 HD21 ASN 62 1HD2 ASN 62 2.373 -8.746 -0.251 459 HD22 ASN 62 2HD2 ASN 62 2.683 -8.751 1.417 460 H ALA 63 H ALA 63 4.042 -9.034 -3.805 461 HA ALA 63 HA ALA 63 5.794 -10.386 -5.520 462 HB1 ALA 63 1HB ALA 63 3.591 -10.241 -6.242 463 HB2 ALA 63 2HB ALA 63 4.330 -9.019 -7.277 464 HB3 ALA 63 3HB ALA 63 3.460 -8.533 -5.822 465 H GLN 64 H GLN 64 5.084 -6.894 -5.900 466 HA GLN 64 HA GLN 64 7.143 -6.221 -7.669 467 HB2 GLN 64 2HB GLN 64 5.503 -4.864 -5.602 468 HB3 GLN 64 1HB GLN 64 6.936 -3.986 -6.134 469 HG2 GLN 64 2HG GLN 64 4.833 -5.138 -7.992 470 HG3 GLN 64 1HG GLN 64 4.924 -3.445 -7.507 471 HE21 GLN 64 1HE2 GLN 64 7.665 -2.923 -7.654 472 HE22 GLN 64 2HE2 GLN 64 8.213 -3.143 -9.245 473 H SER 65 H SER 65 7.352 -6.639 -4.158 474 HA SER 65 HA SER 65 10.052 -5.571 -3.911 475 HB2 SER 65 2HB SER 65 8.532 -5.565 -2.032 476 HB3 SER 65 1HB SER 65 8.255 -7.298 -2.184 477 HG SER 65 HG SER 65 10.377 -5.904 -1.077 478 H ASN 66 H ASN 66 8.636 -8.736 -4.536 479 HA ASN 66 HA ASN 66 11.213 -10.141 -4.195 480 HB2 ASN 66 2HB ASN 66 8.941 -11.028 -3.535 481 HB3 ASN 66 1HB ASN 66 8.541 -11.114 -5.250 482 HD21 ASN 66 1HD2 ASN 66 11.352 -12.087 -3.185 483 HD22 ASN 66 2HD2 ASN 66 11.520 -13.621 -3.895 484 H THR 67 H THR 67 9.269 -8.771 -6.772 485 HA THR 67 HA THR 67 10.704 -10.217 -8.904 486 HB THR 67 HB THR 67 9.232 -8.625 -10.288 487 HG1 THR 67 1HG THR 67 7.832 -7.381 -9.207 488 HG21 THR 67 3HG2 THR 67 8.687 -11.016 -9.455 489 HG22 THR 67 1HG2 THR 67 7.346 -10.008 -10.000 490 HG23 THR 67 2HG2 THR 67 7.651 -10.213 -8.274 491 H ALA 68 H ALA 68 10.579 -6.920 -7.547 492 HA ALA 68 HA ALA 68 12.249 -5.608 -9.441 493 HB1 ALA 68 1HB ALA 68 12.129 -5.123 -6.452 494 HB2 ALA 68 2HB ALA 68 10.832 -4.658 -7.553 495 HB3 ALA 68 3HB ALA 68 12.431 -3.934 -7.718 496 H LYS 69 H LYS 69 13.089 -7.447 -6.503 497 HA LYS 69 HA LYS 69 15.865 -6.904 -6.375 498 HB2 LYS 69 2HB LYS 69 14.099 -8.338 -4.952 499 HB3 LYS 69 1HB LYS 69 14.852 -9.663 -5.840 500 HG2 LYS 69 2HG LYS 69 17.103 -8.646 -5.124 501 HG3 LYS 69 1HG LYS 69 16.169 -7.685 -3.976 502 HD2 LYS 69 2HD LYS 69 15.322 -9.663 -2.892 503 HD3 LYS 69 1HD LYS 69 15.997 -10.703 -4.145 504 HE2 LYS 69 2HE LYS 69 17.529 -10.831 -2.297 505 HE3 LYS 69 1HE LYS 69 18.296 -9.742 -3.471 506 HZ1 LYS 69 3HZ LYS 69 18.265 -8.757 -1.251 507 HZ2 LYS 69 1HZ LYS 69 16.575 -8.894 -1.201 508 HZ3 LYS 69 2HZ LYS 69 17.308 -7.859 -2.331 509 H ALA 70 H ALA 70 14.317 -9.754 -7.916 510 HA ALA 70 HA ALA 70 16.681 -10.737 -9.190 511 HB1 ALA 70 1HB ALA 70 13.707 -10.992 -9.642 512 HB2 ALA 70 2HB ALA 70 14.819 -12.185 -8.971 513 HB3 ALA 70 3HB ALA 70 14.854 -11.818 -10.695 514 H PHE 71 H PHE 71 14.313 -8.307 -10.152 515 HA PHE 71 HA PHE 71 14.961 -8.082 -12.921 516 HB2 PHE 71 2HB PHE 71 13.243 -6.918 -11.087 517 HB3 PHE 71 1HB PHE 71 14.316 -5.582 -11.502 518 HD1 PHE 71 1HD PHE 71 12.792 -8.464 -13.375 519 HD2 PHE 71 2HD PHE 71 13.466 -4.226 -13.183 520 HE1 PHE 71 1HE PHE 71 11.602 -8.176 -15.532 521 HE2 PHE 71 2HE PHE 71 12.275 -3.938 -15.340 522 HZ PHE 71 HZ PHE 71 11.343 -5.914 -16.514 523 H LYS 72 H LYS 72 16.055 -5.933 -10.257 524 HA LYS 72 HA LYS 72 18.061 -4.583 -11.773 525 HB2 LYS 72 2HB LYS 72 18.862 -3.901 -9.528 526 HB3 LYS 72 1HB LYS 72 17.105 -3.814 -9.630 527 HG2 LYS 72 2HG LYS 72 16.868 -5.921 -8.458 528 HG3 LYS 72 1HG LYS 72 18.609 -6.196 -8.510 529 HD2 LYS 72 2HD LYS 72 18.664 -3.831 -7.292 530 HD3 LYS 72 1HD LYS 72 17.037 -4.308 -6.804 531 HE2 LYS 72 2HE LYS 72 18.164 -6.581 -6.146 532 HE3 LYS 72 1HE LYS 72 19.663 -5.631 -6.149 533 HZ1 LYS 72 3HZ LYS 72 17.180 -4.794 -4.753 534 HZ2 LYS 72 1HZ LYS 72 18.707 -4.065 -4.652 535 HZ3 LYS 72 2HZ LYS 72 18.459 -5.608 -3.985 536 H ASP 73 H ASP 73 18.099 -7.670 -10.096 537 HA ASP 73 HA ASP 73 20.952 -8.027 -9.940 538 HB2 ASP 73 2HB ASP 73 19.134 -9.275 -8.709 539 HB3 ASP 73 1HB ASP 73 18.762 -10.109 -10.219 540 H ILE 74 H ILE 74 18.542 -9.184 -12.331 541 HA ILE 74 HA ILE 74 20.206 -10.613 -14.078 542 HB ILE 74 HB ILE 74 17.880 -8.751 -14.674 543 HG12 ILE 74 2HG1 ILE 74 17.609 -11.714 -14.563 544 HG13 ILE 74 1HG1 ILE 74 17.845 -10.889 -13.023 545 HG21 ILE 74 1HG2 ILE 74 17.674 -10.667 -16.540 546 HG22 ILE 74 2HG2 ILE 74 19.427 -10.684 -16.341 547 HG23 ILE 74 3HG2 ILE 74 18.608 -9.197 -16.816 548 HD11 ILE 74 3HD1 ILE 74 15.535 -10.803 -14.881 549 HD12 ILE 74 1HD1 ILE 74 15.991 -9.260 -14.156 550 HD13 ILE 74 2HD1 ILE 74 15.576 -10.630 -13.126 551 H ASP 75 H ASP 75 19.724 -7.094 -13.895 552 HA ASP 75 HA ASP 75 21.110 -6.282 -16.234 553 HB2 ASP 75 2HB ASP 75 20.634 -5.136 -13.489 554 HB3 ASP 75 1HB ASP 75 21.603 -4.245 -14.662 555 H ALA 76 H ALA 76 22.321 -7.133 -13.013 556 HA ALA 76 HA ALA 76 25.001 -6.303 -13.190 557 HB1 ALA 76 1HB ALA 76 24.319 -8.965 -12.011 558 HB2 ALA 76 2HB ALA 76 23.486 -7.543 -11.383 559 HB3 ALA 76 3HB ALA 76 25.245 -7.637 -11.313 560 H ALA 77 H ALA 77 23.414 -8.957 -14.857 561 HA ALA 77 HA ALA 77 26.011 -10.135 -15.690 562 HB1 ALA 77 1HB ALA 77 24.583 -11.920 -16.533 563 HB2 ALA 77 2HB ALA 77 23.147 -10.919 -16.315 564 HB3 ALA 77 3HB ALA 77 24.044 -11.492 -14.909 565 H ILE 78 H ILE 78 23.538 -7.983 -16.869 566 HA ILE 78 HA ILE 78 23.979 -8.422 -19.705 567 HB ILE 78 HB ILE 78 22.828 -6.082 -18.151 568 HG12 ILE 78 2HG1 ILE 78 21.441 -8.436 -19.477 569 HG13 ILE 78 1HG1 ILE 78 21.731 -8.302 -17.742 570 HG21 ILE 78 1HG2 ILE 78 21.577 -5.767 -20.361 571 HG22 ILE 78 2HG2 ILE 78 22.755 -6.872 -21.070 572 HG23 ILE 78 3HG2 ILE 78 23.289 -5.342 -20.373 573 HD11 ILE 78 3HD1 ILE 78 19.634 -7.367 -17.788 574 HD12 ILE 78 1HD1 ILE 78 19.798 -6.828 -19.460 575 HD13 ILE 78 2HD1 ILE 78 20.562 -5.913 -18.160 576 H ILE 79 H ILE 79 25.943 -6.986 -17.339 577 HA ILE 79 HA ILE 79 27.226 -5.173 -19.347 578 HB ILE 79 HB ILE 79 27.330 -5.247 -16.312 579 HG12 ILE 79 2HG1 ILE 79 25.932 -3.306 -18.185 580 HG13 ILE 79 1HG1 ILE 79 25.118 -4.604 -17.311 581 HG21 ILE 79 1HG2 ILE 79 28.884 -3.591 -16.382 582 HG22 ILE 79 2HG2 ILE 79 28.109 -2.795 -17.751 583 HG23 ILE 79 3HG2 ILE 79 29.193 -4.159 -18.022 584 HD11 ILE 79 3HD1 ILE 79 26.706 -3.159 -15.426 585 HD12 ILE 79 1HD1 ILE 79 24.948 -3.276 -15.505 586 HD13 ILE 79 2HD1 ILE 79 25.785 -1.985 -16.366 587 H GLN 80 H GLN 80 27.941 -7.555 -16.775 588 HA GLN 80 HA GLN 80 30.763 -7.766 -17.594 589 HB2 GLN 80 2HB GLN 80 28.940 -9.007 -15.533 590 HB3 GLN 80 1HB GLN 80 30.560 -9.652 -15.801 591 HG2 GLN 80 2HG GLN 80 31.432 -7.286 -15.483 592 HG3 GLN 80 1HG GLN 80 29.813 -6.848 -14.939 593 HE21 GLN 80 1HE2 GLN 80 32.771 -8.479 -14.024 594 HE22 GLN 80 2HE2 GLN 80 32.284 -8.901 -12.454 595 H ASN 81 H ASN 81 27.738 -9.519 -18.014 596 HA ASN 81 HA ASN 81 29.157 -11.607 -19.637 597 HB2 ASN 81 2HB ASN 81 26.841 -11.524 -17.773 598 HB3 ASN 81 1HB ASN 81 26.658 -12.575 -19.177 599 HD21 ASN 81 1HD2 ASN 81 29.108 -11.833 -16.624 600 HD22 ASN 81 2HD2 ASN 81 29.651 -13.434 -16.477 601 H PHE 82 H PHE 82 27.266 -8.833 -19.931 602 HA PHE 82 HA PHE 82 26.096 -7.858 -21.682 603 HB2 PHE 82 2HB PHE 82 27.036 -8.232 -23.729 604 HB3 PHE 82 1HB PHE 82 28.184 -9.162 -22.786 605 HD1 PHE 82 2HD PHE 82 24.872 -9.615 -24.530 606 HD2 PHE 82 1HD PHE 82 28.671 -11.334 -23.487 607 HE1 PHE 82 2HE PHE 82 24.337 -11.621 -25.882 608 HE2 PHE 82 1HE PHE 82 28.137 -13.334 -24.851 609 HZ PHE 82 HZ PHE 82 25.970 -13.480 -26.044 610 H ARG 83 H ARG 83 25.431 -11.137 -20.778 611 HA ARG 83 HA ARG 83 23.511 -12.473 -20.978 612 HB2 ARG 83 2HB ARG 83 22.641 -9.629 -20.519 613 HB3 ARG 83 1HB ARG 83 21.481 -10.958 -20.502 614 HG2 ARG 83 2HG ARG 83 24.002 -11.023 -18.846 615 HG3 ARG 83 1HG ARG 83 22.510 -10.303 -18.241 616 HD2 ARG 83 2HD ARG 83 22.769 -13.157 -19.258 617 HD3 ARG 83 1HD ARG 83 22.690 -12.682 -17.550 618 HE ARG 83 HE ARG 83 20.492 -11.427 -18.655 619 HH11 ARG 83 1HH2 ARG 83 21.673 -14.705 -18.643 620 HH12 ARG 83 2HH2 ARG 83 20.088 -15.391 -18.757 621 HH21 ARG 83 1HH1 ARG 83 18.450 -12.343 -18.803 622 HH22 ARG 83 2HH1 ARG 83 18.278 -14.066 -18.847 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 17.909 -3.524 -31.755 2 H2 GLY 1 2HT GLY 1 16.395 -3.612 -30.987 3 H3 GLY 1 3HT GLY 1 17.816 -3.915 -30.107 4 HA2 GLY 1 2HA GLY 1 18.514 -1.578 -30.595 5 HA3 GLY 1 1HA GLY 1 16.877 -1.327 -31.202 6 H SER 2 H SER 2 17.818 0.113 -28.991 7 HA SER 2 HA SER 2 16.344 -1.149 -26.700 8 HB2 SER 2 2HB SER 2 18.710 0.726 -26.891 9 HB3 SER 2 1HB SER 2 17.843 0.467 -25.379 10 HG SER 2 HG SER 2 19.701 -0.939 -25.788 11 H HIS 3 H HIS 3 14.781 0.126 -25.649 12 HA HIS 3 HA HIS 3 14.115 2.736 -26.973 13 HB2 HIS 3 2HB HIS 3 12.476 0.527 -25.712 14 HB3 HIS 3 1HB HIS 3 11.789 2.113 -26.066 15 HD1 HIS 3 1HD HIS 3 11.737 -1.013 -27.531 16 HD2 HIS 3 2HD HIS 3 12.840 2.716 -29.035 17 HE1 HIS 3 1HE HIS 3 11.567 -1.179 -30.053 18 H MET 4 H MET 4 15.205 4.159 -25.558 19 HA MET 4 HA MET 4 15.611 5.379 -23.574 20 HB2 MET 4 2HB MET 4 12.773 4.378 -23.385 21 HB3 MET 4 1HB MET 4 13.456 5.371 -22.098 22 HG2 MET 4 2HG MET 4 13.638 7.244 -23.448 23 HG3 MET 4 1HG MET 4 13.788 6.292 -24.926 24 HE1 MET 4 3HE MET 4 10.423 5.504 -26.143 25 HE2 MET 4 1HE MET 4 11.431 4.368 -25.237 26 HE3 MET 4 2HE MET 4 12.174 5.529 -26.333 27 H ALA 5 H ALA 5 17.289 3.950 -22.763 28 HA ALA 5 HA ALA 5 16.657 2.729 -20.190 29 HB1 ALA 5 1HB ALA 5 15.872 0.899 -21.457 30 HB2 ALA 5 2HB ALA 5 17.540 0.447 -21.101 31 HB3 ALA 5 3HB ALA 5 17.122 1.101 -22.685 32 H THR 6 H THR 6 18.391 3.898 -19.306 33 HA THR 6 HA THR 6 21.034 3.920 -20.590 34 HB THR 6 HB THR 6 21.556 5.203 -18.451 35 HG1 THR 6 1HG THR 6 19.890 5.587 -17.072 36 HG21 THR 6 3HG2 THR 6 20.510 7.150 -19.235 37 HG22 THR 6 1HG2 THR 6 19.064 6.280 -19.746 38 HG23 THR 6 2HG2 THR 6 20.557 6.127 -20.672 39 HA PRO 7 HA PRO 7 22.775 0.453 -18.529 40 HB2 PRO 7 2HB PRO 7 25.243 1.412 -17.742 41 HB3 PRO 7 1HB PRO 7 24.855 0.906 -19.394 42 HG2 PRO 7 2HG PRO 7 25.014 3.635 -18.241 43 HG3 PRO 7 1HG PRO 7 25.460 3.061 -19.854 44 HD2 PRO 7 2HD PRO 7 23.174 4.442 -19.338 45 HD3 PRO 7 1HD PRO 7 23.327 3.264 -20.660 46 H TRP 8 H TRP 8 23.577 -0.297 -16.366 47 HA TRP 8 HA TRP 8 22.954 -0.469 -14.080 48 HB2 TRP 8 2HB TRP 8 24.194 1.658 -12.939 49 HB3 TRP 8 1HB TRP 8 25.044 0.240 -13.531 50 HD1 TRP 8 HD TRP 8 24.067 3.796 -14.670 51 HE1 TRP 8 1HE TRP 8 25.829 4.605 -16.370 52 HE3 TRP 8 3HE TRP 8 26.895 -0.434 -15.088 53 HZ2 TRP 8 2HZ TRP 8 28.136 3.590 -17.724 54 HZ3 TRP 8 3HZ TRP 8 28.870 -0.484 -16.584 55 HH2 TRP 8 HH TRP 8 29.494 1.521 -17.901 56 H SER 9 H SER 9 20.807 0.799 -15.510 57 HA SER 9 HA SER 9 19.959 3.067 -13.800 58 HB2 SER 9 2HB SER 9 19.425 3.457 -16.033 59 HB3 SER 9 1HB SER 9 19.129 1.754 -16.365 60 HG SER 9 HG SER 9 17.381 3.660 -15.726 61 H GLY 10 H GLY 10 17.768 0.553 -15.000 62 HA2 GLY 10 2HA GLY 10 16.325 -0.904 -13.883 63 HA3 GLY 10 1HA GLY 10 17.464 -0.875 -12.536 64 H TYR 11 H TYR 11 17.365 1.060 -11.132 65 HA TYR 11 HA TYR 11 14.559 1.730 -10.526 66 HB2 TYR 11 2HB TYR 11 17.238 1.893 -9.222 67 HB3 TYR 11 1HB TYR 11 15.983 2.985 -8.637 68 HD1 TYR 11 2HD TYR 11 16.617 -0.615 -9.438 69 HD2 TYR 11 1HD TYR 11 14.343 2.214 -7.140 70 HE1 TYR 11 2HE TYR 11 15.588 -2.477 -8.164 71 HE2 TYR 11 1HE TYR 11 13.314 0.352 -5.866 72 HH TYR 11 HH TYR 11 14.196 -2.224 -5.343 73 H LEU 12 H LEU 12 17.178 3.198 -12.227 74 HA LEU 12 HA LEU 12 16.728 5.967 -11.722 75 HB2 LEU 12 2HB LEU 12 17.945 4.242 -13.815 76 HB3 LEU 12 1HB LEU 12 17.556 5.891 -14.307 77 HG LEU 12 HG LEU 12 18.783 6.716 -12.274 78 HD11 LEU 12 1HD1 LEU 12 18.872 4.980 -10.736 79 HD12 LEU 12 2HD1 LEU 12 20.471 4.836 -11.464 80 HD13 LEU 12 3HD1 LEU 12 19.170 3.759 -11.974 81 HD21 LEU 12 3HD2 LEU 12 20.025 5.228 -14.543 82 HD22 LEU 12 1HD2 LEU 12 21.093 5.724 -13.229 83 HD23 LEU 12 2HD2 LEU 12 20.160 6.933 -14.111 84 H ASP 13 H ASP 13 14.893 3.638 -13.589 85 HA ASP 13 HA ASP 13 12.692 5.510 -13.956 86 HB2 ASP 13 2HB ASP 13 14.586 6.037 -15.680 87 HB3 ASP 13 1HB ASP 13 14.028 4.574 -16.492 88 H ASP 14 H ASP 14 14.228 2.488 -15.057 89 HA ASP 14 HA ASP 14 11.976 1.122 -16.071 90 HB2 ASP 14 2HB ASP 14 14.636 0.505 -14.970 91 HB3 ASP 14 1HB ASP 14 13.484 -0.826 -14.876 92 H VAL 15 H VAL 15 13.307 0.011 -13.043 93 HA VAL 15 HA VAL 15 11.002 -1.144 -11.980 94 HB VAL 15 HB VAL 15 13.271 0.283 -10.571 95 HG11 VAL 15 1HG1 VAL 15 12.780 -1.517 -8.838 96 HG12 VAL 15 2HG1 VAL 15 11.269 -1.797 -9.703 97 HG13 VAL 15 3HG1 VAL 15 11.589 -0.224 -8.972 98 HG21 VAL 15 3HG2 VAL 15 14.383 -1.236 -11.910 99 HG22 VAL 15 1HG2 VAL 15 13.001 -2.327 -12.000 100 HG23 VAL 15 2HG2 VAL 15 13.997 -2.282 -10.544 101 H SER 16 H SER 16 12.094 2.209 -11.702 102 HA SER 16 HA SER 16 10.344 3.166 -9.723 103 HB2 SER 16 2HB SER 16 12.038 4.566 -10.526 104 HB3 SER 16 1HB SER 16 11.614 4.269 -12.209 105 HG SER 16 HG SER 16 10.669 6.165 -11.907 106 H ALA 17 H ALA 17 9.685 2.622 -13.191 107 HA ALA 17 HA ALA 17 7.041 3.829 -13.156 108 HB1 ALA 17 1HB ALA 17 7.072 2.154 -15.302 109 HB2 ALA 17 2HB ALA 17 8.800 2.281 -14.971 110 HB3 ALA 17 3HB ALA 17 7.853 3.734 -15.293 111 H LYS 18 H LYS 18 8.230 0.490 -12.822 112 HA LYS 18 HA LYS 18 5.486 -0.599 -12.621 113 HB2 LYS 18 2HB LYS 18 8.237 -1.832 -12.228 114 HB3 LYS 18 1HB LYS 18 6.726 -2.731 -12.377 115 HG2 LYS 18 2HG LYS 18 7.815 -0.859 -14.499 116 HG3 LYS 18 1HG LYS 18 8.011 -2.612 -14.523 117 HD2 LYS 18 2HD LYS 18 5.523 -2.848 -14.456 118 HD3 LYS 18 1HD LYS 18 5.387 -1.094 -14.575 119 HE2 LYS 18 2HE LYS 18 6.371 -1.067 -16.762 120 HE3 LYS 18 1HE LYS 18 6.891 -2.758 -16.617 121 HZ1 LYS 18 3HZ LYS 18 4.653 -3.488 -16.554 122 HZ2 LYS 18 1HZ LYS 18 4.761 -2.422 -17.868 123 HZ3 LYS 18 2HZ LYS 18 4.057 -1.903 -16.411 124 H PHE 19 H PHE 19 8.216 0.167 -10.567 125 HA PHE 19 HA PHE 19 6.966 -0.907 -8.132 126 HB2 PHE 19 2HB PHE 19 9.512 -0.619 -9.038 127 HB3 PHE 19 1HB PHE 19 9.375 0.831 -8.046 128 HD1 PHE 19 2HD PHE 19 7.847 0.188 -5.777 129 HD2 PHE 19 1HD PHE 19 10.555 -2.361 -7.923 130 HE1 PHE 19 2HE PHE 19 8.163 -1.187 -3.737 131 HE2 PHE 19 1HE PHE 19 10.874 -3.737 -5.883 132 HZ PHE 19 HZ PHE 19 9.678 -3.151 -3.792 133 H ASP 20 H ASP 20 8.274 2.353 -8.998 134 HA ASP 20 HA ASP 20 6.837 3.662 -6.858 135 HB2 ASP 20 2HB ASP 20 8.831 4.245 -8.791 136 HB3 ASP 20 1HB ASP 20 7.542 5.423 -9.041 137 H THR 21 H THR 21 6.421 4.444 -10.323 138 HA THR 21 HA THR 21 3.817 5.522 -10.080 139 HB THR 21 HB THR 21 5.076 4.046 -12.416 140 HG1 THR 21 1HG THR 21 6.084 5.913 -12.848 141 HG21 THR 21 3HG2 THR 21 2.800 6.007 -12.159 142 HG22 THR 21 1HG2 THR 21 2.816 4.445 -12.978 143 HG23 THR 21 2HG2 THR 21 3.681 5.814 -13.675 144 H GLY 22 H GLY 22 4.836 2.173 -10.713 145 HA2 GLY 22 2HA GLY 22 2.248 1.089 -11.233 146 HA3 GLY 22 1HA GLY 22 3.631 0.164 -10.657 147 H VAL 23 H VAL 23 4.123 0.569 -8.221 148 HA VAL 23 HA VAL 23 1.892 -0.318 -6.692 149 HB VAL 23 HB VAL 23 4.426 1.087 -5.818 150 HG11 VAL 23 1HG1 VAL 23 2.757 -0.924 -4.308 151 HG12 VAL 23 2HG1 VAL 23 2.571 0.818 -4.108 152 HG13 VAL 23 3HG1 VAL 23 4.099 0.040 -3.691 153 HG21 VAL 23 3HG2 VAL 23 5.071 -0.781 -7.160 154 HG22 VAL 23 1HG2 VAL 23 3.780 -1.784 -6.502 155 HG23 VAL 23 2HG2 VAL 23 5.162 -1.355 -5.496 156 H ASP 24 H ASP 24 3.206 2.961 -7.171 157 HA ASP 24 HA ASP 24 1.542 4.302 -5.249 158 HB2 ASP 24 2HB ASP 24 3.562 5.238 -6.375 159 HB3 ASP 24 1HB ASP 24 2.677 5.265 -7.901 160 H ASN 25 H ASN 25 1.107 3.439 -8.667 161 HA ASN 25 HA ASN 25 -1.395 4.763 -9.110 162 HB2 ASN 25 2HB ASN 25 0.197 2.534 -10.305 163 HB3 ASN 25 1HB ASN 25 -1.496 2.658 -10.780 164 HD21 ASN 25 1HD2 ASN 25 0.676 5.392 -9.968 165 HD22 ASN 25 2HD2 ASN 25 0.613 6.103 -11.508 166 H LEU 26 H LEU 26 -0.571 1.509 -7.890 167 HA LEU 26 HA LEU 26 -3.315 0.598 -7.664 168 HB2 LEU 26 2HB LEU 26 -0.701 -0.412 -7.349 169 HB3 LEU 26 1HB LEU 26 -1.458 -0.591 -5.771 170 HG LEU 26 HG LEU 26 -2.628 -1.558 -8.385 171 HD11 LEU 26 1HD1 LEU 26 -2.279 -3.771 -6.862 172 HD12 LEU 26 2HD1 LEU 26 -0.911 -2.797 -6.326 173 HD13 LEU 26 3HD1 LEU 26 -1.088 -3.200 -8.032 174 HD21 LEU 26 3HD2 LEU 26 -3.744 -1.158 -5.713 175 HD22 LEU 26 1HD2 LEU 26 -3.921 -2.820 -6.277 176 HD23 LEU 26 2HD2 LEU 26 -4.572 -1.490 -7.233 177 H GLN 27 H GLN 27 -1.083 2.308 -5.492 178 HA GLN 27 HA GLN 27 -2.685 2.065 -3.101 179 HB2 GLN 27 2HB GLN 27 -0.171 2.867 -3.709 180 HB3 GLN 27 1HB GLN 27 -0.950 4.444 -3.565 181 HG2 GLN 27 2HG GLN 27 -1.454 2.383 -1.446 182 HG3 GLN 27 1HG GLN 27 0.071 3.269 -1.429 183 HE21 GLN 27 1HE2 GLN 27 -0.454 5.823 -1.983 184 HE22 GLN 27 2HE2 GLN 27 -1.670 6.479 -0.999 185 H THR 28 H THR 28 -2.569 4.379 -5.779 186 HA THR 28 HA THR 28 -4.584 6.130 -4.503 187 HB THR 28 HB THR 28 -2.627 6.944 -5.875 188 HG1 THR 28 1HG THR 28 -4.217 8.392 -5.743 189 HG21 THR 28 3HG2 THR 28 -2.589 5.224 -7.596 190 HG22 THR 28 1HG2 THR 28 -2.865 6.790 -8.356 191 HG23 THR 28 2HG2 THR 28 -4.209 5.672 -8.128 192 H GLN 29 H GLN 29 -4.432 3.469 -6.764 193 HA GLN 29 HA GLN 29 -6.817 3.870 -8.250 194 HB2 GLN 29 2HB GLN 29 -4.848 1.847 -7.776 195 HB3 GLN 29 1HB GLN 29 -6.430 1.097 -7.625 196 HG2 GLN 29 2HG GLN 29 -5.426 2.716 -9.984 197 HG3 GLN 29 1HG GLN 29 -5.712 0.979 -9.953 198 HE21 GLN 29 1HE2 GLN 29 -8.257 1.415 -8.285 199 HE22 GLN 29 2HE2 GLN 29 -9.402 1.971 -9.403 200 H VAL 30 H VAL 30 -6.351 2.062 -5.167 201 HA VAL 30 HA VAL 30 -9.165 1.493 -4.859 202 HB VAL 30 HB VAL 30 -8.426 1.249 -2.370 203 HG11 VAL 30 1HG1 VAL 30 -8.524 -0.452 -4.463 204 HG12 VAL 30 2HG1 VAL 30 -8.045 -0.942 -2.838 205 HG13 VAL 30 3HG1 VAL 30 -6.814 -0.579 -4.048 206 HG21 VAL 30 3HG2 VAL 30 -6.269 2.648 -3.041 207 HG22 VAL 30 1HG2 VAL 30 -5.664 1.052 -3.484 208 HG23 VAL 30 2HG2 VAL 30 -6.188 1.368 -1.830 209 H THR 31 H THR 31 -7.144 4.273 -4.107 210 HA THR 31 HA THR 31 -8.899 5.627 -2.287 211 HB THR 31 HB THR 31 -7.253 6.936 -4.469 212 HG1 THR 31 1HG THR 31 -5.527 6.704 -2.855 213 HG21 THR 31 3HG2 THR 31 -8.329 8.567 -3.168 214 HG22 THR 31 1HG2 THR 31 -6.750 8.424 -2.395 215 HG23 THR 31 2HG2 THR 31 -8.155 7.629 -1.684 216 H GLU 32 H GLU 32 -8.636 5.604 -5.847 217 HA GLU 32 HA GLU 32 -10.920 7.262 -6.416 218 HB2 GLU 32 2HB GLU 32 -9.741 4.900 -7.937 219 HB3 GLU 32 1HB GLU 32 -10.787 6.140 -8.625 220 HG2 GLU 32 2HG GLU 32 -8.057 6.635 -7.409 221 HG3 GLU 32 1HG GLU 32 -8.408 6.568 -9.134 222 H ALA 33 H ALA 33 -10.438 3.744 -6.179 223 HA ALA 33 HA ALA 33 -13.086 2.823 -6.494 224 HB1 ALA 33 1HB ALA 33 -12.239 0.843 -5.394 225 HB2 ALA 33 2HB ALA 33 -11.041 1.774 -4.503 226 HB3 ALA 33 3HB ALA 33 -10.863 1.549 -6.239 227 H LEU 34 H LEU 34 -11.557 4.497 -3.823 228 HA LEU 34 HA LEU 34 -13.564 3.897 -1.801 229 HB2 LEU 34 2HB LEU 34 -11.064 4.793 -1.709 230 HB3 LEU 34 1HB LEU 34 -11.849 6.368 -1.824 231 HG LEU 34 HG LEU 34 -13.353 5.584 0.102 232 HD11 LEU 34 1HD1 LEU 34 -11.111 3.662 0.684 233 HD12 LEU 34 2HD1 LEU 34 -12.488 3.149 -0.291 234 HD13 LEU 34 3HD1 LEU 34 -12.737 3.705 1.364 235 HD21 LEU 34 3HD2 LEU 34 -10.393 5.813 0.717 236 HD22 LEU 34 1HD2 LEU 34 -11.735 6.279 1.762 237 HD23 LEU 34 2HD2 LEU 34 -11.410 7.188 0.286 238 H ASP 35 H ASP 35 -12.789 6.902 -3.599 239 HA ASP 35 HA ASP 35 -15.184 8.315 -2.918 240 HB2 ASP 35 2HB ASP 35 -13.049 8.439 -5.019 241 HB3 ASP 35 1HB ASP 35 -14.489 9.433 -5.242 242 H LYS 36 H LYS 36 -14.469 5.882 -5.335 243 HA LYS 36 HA LYS 36 -16.931 6.266 -6.876 244 HB2 LYS 36 2HB LYS 36 -14.409 4.993 -7.126 245 HB3 LYS 36 1HB LYS 36 -15.599 3.713 -7.195 246 HG2 LYS 36 2HG LYS 36 -16.192 4.304 -9.286 247 HG3 LYS 36 1HG LYS 36 -16.486 5.966 -8.777 248 HD2 LYS 36 2HD LYS 36 -14.725 5.852 -10.518 249 HD3 LYS 36 1HD LYS 36 -14.090 6.478 -8.998 250 HE2 LYS 36 2HE LYS 36 -12.634 4.746 -8.802 251 HE3 LYS 36 1HE LYS 36 -13.907 3.555 -9.138 252 HZ1 LYS 36 3HZ LYS 36 -13.781 4.168 -11.491 253 HZ2 LYS 36 1HZ LYS 36 -12.298 3.565 -10.930 254 HZ3 LYS 36 2HZ LYS 36 -12.505 5.236 -11.151 255 H LEU 37 H LEU 37 -15.685 4.112 -4.345 256 HA LEU 37 HA LEU 37 -17.822 2.223 -4.273 257 HB2 LEU 37 2HB LEU 37 -15.905 1.656 -3.044 258 HB3 LEU 37 1HB LEU 37 -15.734 3.278 -2.381 259 HG LEU 37 HG LEU 37 -17.658 2.911 -0.904 260 HD11 LEU 37 1HD1 LEU 37 -17.743 0.106 -2.054 261 HD12 LEU 37 2HD1 LEU 37 -18.884 1.386 -2.468 262 HD13 LEU 37 3HD1 LEU 37 -18.809 0.771 -0.817 263 HD21 LEU 37 3HD2 LEU 37 -16.674 0.781 0.297 264 HD22 LEU 37 1HD2 LEU 37 -15.721 2.261 0.210 265 HD23 LEU 37 2HD2 LEU 37 -15.398 0.937 -0.910 266 H ALA 38 H ALA 38 -17.275 5.013 -2.106 267 HA ALA 38 HA ALA 38 -19.883 5.022 -0.941 268 HB1 ALA 38 1HB ALA 38 -19.057 7.592 -0.757 269 HB2 ALA 38 2HB ALA 38 -17.538 6.827 -1.223 270 HB3 ALA 38 3HB ALA 38 -18.380 6.301 0.235 271 H ALA 39 H ALA 39 -18.728 6.086 -4.049 272 HA ALA 39 HA ALA 39 -20.618 8.072 -4.796 273 HB1 ALA 39 1HB ALA 39 -18.530 6.750 -5.939 274 HB2 ALA 39 2HB ALA 39 -19.675 7.706 -6.876 275 HB3 ALA 39 3HB ALA 39 -19.871 5.958 -6.761 276 H LYS 40 H LYS 40 -20.724 4.604 -5.576 277 HA LYS 40 HA LYS 40 -23.634 4.703 -6.048 278 HB2 LYS 40 2HB LYS 40 -21.290 3.017 -6.647 279 HB3 LYS 40 1HB LYS 40 -22.733 2.082 -6.259 280 HG2 LYS 40 2HG LYS 40 -23.876 3.839 -7.904 281 HG3 LYS 40 1HG LYS 40 -22.234 3.949 -8.539 282 HD2 LYS 40 2HD LYS 40 -22.496 1.248 -8.321 283 HD3 LYS 40 1HD LYS 40 -24.163 1.705 -8.673 284 HE2 LYS 40 2HE LYS 40 -22.820 3.253 -10.487 285 HE3 LYS 40 1HE LYS 40 -21.785 1.814 -10.426 286 HZ1 LYS 40 3HZ LYS 40 -23.630 1.538 -11.999 287 HZ2 LYS 40 1HZ LYS 40 -24.740 1.780 -10.740 288 HZ3 LYS 40 2HZ LYS 40 -23.720 0.422 -10.721 289 HA PRO 41 HA PRO 41 -24.698 3.468 -1.922 290 HB2 PRO 41 2HB PRO 41 -26.755 1.698 -3.118 291 HB3 PRO 41 1HB PRO 41 -26.957 3.056 -1.995 292 HG2 PRO 41 2HG PRO 41 -27.651 3.209 -4.587 293 HG3 PRO 41 1HG PRO 41 -27.063 4.602 -3.668 294 HD2 PRO 41 2HD PRO 41 -25.674 2.981 -5.729 295 HD3 PRO 41 1HD PRO 41 -25.492 4.702 -5.321 296 H SER 42 H SER 42 -25.628 0.955 -1.093 297 HA SER 42 HA SER 42 -23.317 -0.666 -0.951 298 HB2 SER 42 2HB SER 42 -26.244 -0.947 -0.509 299 HB3 SER 42 1HB SER 42 -25.347 -2.454 -0.666 300 HG SER 42 HG SER 42 -25.554 -1.116 1.480 301 H ASP 43 H ASP 43 -22.380 -0.902 -3.064 302 HA ASP 43 HA ASP 43 -23.997 -2.484 -5.024 303 HB2 ASP 43 2HB ASP 43 -21.980 -0.291 -5.170 304 HB3 ASP 43 1HB ASP 43 -21.998 -1.462 -6.490 305 HA PRO 44 HA PRO 44 -21.076 -5.785 -4.685 306 HB2 PRO 44 2HB PRO 44 -21.350 -6.856 -7.200 307 HB3 PRO 44 1HB PRO 44 -22.567 -7.058 -5.927 308 HG2 PRO 44 2HG PRO 44 -22.569 -5.291 -8.289 309 HG3 PRO 44 1HG PRO 44 -23.922 -6.080 -7.468 310 HD2 PRO 44 2HD PRO 44 -23.252 -3.416 -7.220 311 HD3 PRO 44 1HD PRO 44 -24.233 -4.335 -6.060 312 H ALA 45 H ALA 45 -21.062 -4.030 -7.734 313 HA ALA 45 HA ALA 45 -18.428 -4.805 -8.567 314 HB1 ALA 45 1HB ALA 45 -20.076 -2.404 -9.348 315 HB2 ALA 45 2HB ALA 45 -20.462 -4.047 -9.861 316 HB3 ALA 45 3HB ALA 45 -18.939 -3.304 -10.354 317 H LEU 46 H LEU 46 -19.596 -1.579 -7.456 318 HA LEU 46 HA LEU 46 -17.151 -0.228 -7.361 319 HB2 LEU 46 2HB LEU 46 -19.795 -0.092 -6.097 320 HB3 LEU 46 1HB LEU 46 -18.535 0.621 -5.097 321 HG LEU 46 HG LEU 46 -19.457 2.355 -6.510 322 HD11 LEU 46 1HD1 LEU 46 -16.926 2.203 -6.180 323 HD12 LEU 46 2HD1 LEU 46 -17.490 3.197 -7.524 324 HD13 LEU 46 3HD1 LEU 46 -16.856 1.584 -7.830 325 HD21 LEU 46 3HD2 LEU 46 -19.898 2.157 -8.759 326 HD22 LEU 46 1HD2 LEU 46 -20.095 0.471 -8.281 327 HD23 LEU 46 2HD2 LEU 46 -18.587 1.006 -9.022 328 H LEU 47 H LEU 47 -18.639 -1.870 -4.549 329 HA LEU 47 HA LEU 47 -16.443 -1.705 -2.765 330 HB2 LEU 47 2HB LEU 47 -18.977 -2.595 -2.681 331 HB3 LEU 47 1HB LEU 47 -18.160 -4.150 -2.832 332 HG LEU 47 HG LEU 47 -16.608 -3.059 -0.934 333 HD11 LEU 47 1HD1 LEU 47 -19.142 -1.502 -0.981 334 HD12 LEU 47 2HD1 LEU 47 -17.540 -1.027 -0.418 335 HD13 LEU 47 3HD1 LEU 47 -18.574 -2.025 0.604 336 HD21 LEU 47 3HD2 LEU 47 -18.107 -5.178 -0.974 337 HD22 LEU 47 1HD2 LEU 47 -19.308 -4.171 -0.166 338 HD23 LEU 47 2HD2 LEU 47 -17.744 -4.463 0.596 339 H ALA 48 H ALA 48 -17.366 -4.425 -4.903 340 HA ALA 48 HA ALA 48 -15.159 -6.142 -4.447 341 HB1 ALA 48 1HB ALA 48 -15.723 -6.915 -6.785 342 HB2 ALA 48 2HB ALA 48 -16.807 -5.529 -6.915 343 HB3 ALA 48 3HB ALA 48 -17.121 -6.788 -5.718 344 H ALA 49 H ALA 49 -15.477 -3.271 -6.435 345 HA ALA 49 HA ALA 49 -13.093 -3.583 -8.000 346 HB1 ALA 49 1HB ALA 49 -13.610 -1.382 -8.681 347 HB2 ALA 49 2HB ALA 49 -14.326 -0.977 -7.121 348 HB3 ALA 49 3HB ALA 49 -15.175 -2.055 -8.229 349 H TYR 50 H TYR 50 -13.691 -1.406 -5.165 350 HA TYR 50 HA TYR 50 -10.998 -0.636 -4.748 351 HB2 TYR 50 2HB TYR 50 -13.030 0.297 -3.651 352 HB3 TYR 50 1HB TYR 50 -13.165 -1.174 -2.695 353 HD1 TYR 50 1HD TYR 50 -10.965 -1.840 -1.345 354 HD2 TYR 50 2HD TYR 50 -11.874 2.100 -2.778 355 HE1 TYR 50 1HE TYR 50 -9.402 -0.876 0.304 356 HE2 TYR 50 2HE TYR 50 -10.310 3.066 -1.133 357 HH TYR 50 HH TYR 50 -8.177 2.142 0.144 358 H GLN 51 H GLN 51 -12.729 -3.557 -3.654 359 HA GLN 51 HA GLN 51 -10.583 -4.546 -1.981 360 HB2 GLN 51 2HB GLN 51 -12.919 -5.860 -3.404 361 HB3 GLN 51 1HB GLN 51 -11.914 -6.670 -2.202 362 HG2 GLN 51 2HG GLN 51 -12.501 -4.848 -0.577 363 HG3 GLN 51 1HG GLN 51 -13.631 -4.212 -1.771 364 HE21 GLN 51 1HE2 GLN 51 -15.514 -5.577 -2.337 365 HE22 GLN 51 2HE2 GLN 51 -16.024 -6.812 -1.291 366 H SER 52 H SER 52 -11.669 -5.329 -5.303 367 HA SER 52 HA SER 52 -9.785 -7.234 -6.083 368 HB2 SER 52 2HB SER 52 -11.748 -6.253 -7.361 369 HB3 SER 52 1HB SER 52 -10.738 -4.855 -7.720 370 HG SER 52 HG SER 52 -10.828 -6.758 -9.256 371 H LYS 53 H LYS 53 -9.446 -3.689 -6.093 372 HA LYS 53 HA LYS 53 -6.676 -3.756 -7.031 373 HB2 LYS 53 2HB LYS 53 -8.802 -1.829 -6.379 374 HB3 LYS 53 1HB LYS 53 -7.206 -1.272 -5.875 375 HG2 LYS 53 2HG LYS 53 -6.705 -0.756 -8.002 376 HG3 LYS 53 1HG LYS 53 -6.926 -2.440 -8.467 377 HD2 LYS 53 2HD LYS 53 -9.396 -2.011 -8.630 378 HD3 LYS 53 1HD LYS 53 -9.076 -0.303 -8.338 379 HE2 LYS 53 2HE LYS 53 -7.556 -0.297 -10.343 380 HE3 LYS 53 1HE LYS 53 -8.068 -1.964 -10.676 381 HZ1 LYS 53 3HZ LYS 53 -9.426 -0.192 -11.799 382 HZ2 LYS 53 1HZ LYS 53 -9.982 0.266 -10.265 383 HZ3 LYS 53 2HZ LYS 53 -10.314 -1.292 -10.856 384 H LEU 54 H LEU 54 -8.382 -3.625 -3.961 385 HA LEU 54 HA LEU 54 -6.190 -2.899 -2.259 386 HB2 LEU 54 2HB LEU 54 -8.598 -2.867 -1.669 387 HB3 LEU 54 1HB LEU 54 -8.639 -4.625 -1.765 388 HG LEU 54 HG LEU 54 -6.703 -4.537 -0.035 389 HD11 LEU 54 1HD1 LEU 54 -6.242 -2.560 1.010 390 HD12 LEU 54 2HD1 LEU 54 -7.922 -2.025 0.951 391 HD13 LEU 54 3HD1 LEU 54 -6.890 -1.849 -0.468 392 HD21 LEU 54 3HD2 LEU 54 -9.590 -3.834 0.548 393 HD22 LEU 54 1HD2 LEU 54 -8.438 -4.248 1.817 394 HD23 LEU 54 2HD2 LEU 54 -8.844 -5.431 0.574 395 H SER 55 H SER 55 -7.677 -6.151 -2.531 396 HA SER 55 HA SER 55 -5.626 -7.662 -1.358 397 HB2 SER 55 2HB SER 55 -7.742 -8.645 -1.894 398 HB3 SER 55 1HB SER 55 -7.587 -8.219 -3.596 399 HG SER 55 HG SER 55 -5.867 -9.992 -2.190 400 H GLU 56 H GLU 56 -5.926 -6.598 -4.740 401 HA GLU 56 HA GLU 56 -3.607 -7.980 -5.755 402 HB2 GLU 56 2HB GLU 56 -5.531 -6.914 -7.036 403 HB3 GLU 56 1HB GLU 56 -4.815 -5.345 -6.663 404 HG2 GLU 56 2HG GLU 56 -3.878 -5.802 -8.750 405 HG3 GLU 56 1HG GLU 56 -2.633 -6.408 -7.656 406 H TYR 57 H TYR 57 -4.148 -4.844 -4.232 407 HA TYR 57 HA TYR 57 -1.537 -3.741 -4.734 408 HB2 TYR 57 2HB TYR 57 -3.560 -2.440 -4.218 409 HB3 TYR 57 1HB TYR 57 -3.626 -3.166 -2.615 410 HD1 TYR 57 2HD TYR 57 -0.628 -1.981 -4.538 411 HD2 TYR 57 1HD TYR 57 -3.225 -1.397 -1.175 412 HE1 TYR 57 2HE TYR 57 0.932 -0.286 -3.620 413 HE2 TYR 57 1HE TYR 57 -1.668 0.296 -0.250 414 HH TYR 57 HH TYR 57 1.479 0.675 -1.334 415 H ASN 58 H ASN 58 -2.953 -5.224 -1.781 416 HA ASN 58 HA ASN 58 -0.717 -5.053 -0.088 417 HB2 ASN 58 2HB ASN 58 -3.062 -6.879 -0.437 418 HB3 ASN 58 1HB ASN 58 -1.789 -7.408 0.665 419 HD21 ASN 58 1HD2 ASN 58 -3.837 -4.518 -0.017 420 HD22 ASN 58 2HD2 ASN 58 -3.924 -4.017 1.602 421 H LEU 59 H LEU 59 -1.531 -7.679 -2.390 422 HA LEU 59 HA LEU 59 0.889 -9.204 -1.960 423 HB2 LEU 59 2HB LEU 59 -1.405 -9.818 -3.050 424 HB3 LEU 59 1HB LEU 59 -0.743 -9.088 -4.509 425 HG LEU 59 HG LEU 59 -0.380 -11.540 -4.462 426 HD11 LEU 59 1HD1 LEU 59 2.348 -10.398 -4.039 427 HD12 LEU 59 2HD1 LEU 59 1.347 -9.696 -5.311 428 HD13 LEU 59 3HD1 LEU 59 1.746 -11.414 -5.349 429 HD21 LEU 59 3HD2 LEU 59 0.799 -12.633 -2.764 430 HD22 LEU 59 1HD2 LEU 59 -0.118 -11.437 -1.850 431 HD23 LEU 59 2HD2 LEU 59 1.583 -11.150 -2.217 432 H TYR 60 H TYR 60 -0.075 -6.567 -4.085 433 HA TYR 60 HA TYR 60 1.960 -6.421 -6.000 434 HB2 TYR 60 2HB TYR 60 -0.111 -4.889 -5.094 435 HB3 TYR 60 1HB TYR 60 1.253 -3.912 -4.583 436 HD1 TYR 60 2HD TYR 60 0.284 -5.935 -7.601 437 HD2 TYR 60 1HD TYR 60 1.897 -2.276 -6.046 438 HE1 TYR 60 2HE TYR 60 0.490 -5.043 -9.902 439 HE2 TYR 60 1HE TYR 60 2.099 -1.384 -8.340 440 HH TYR 60 HH TYR 60 0.550 -2.632 -10.945 441 H ARG 61 H ARG 61 1.992 -4.806 -2.805 442 HA ARG 61 HA ARG 61 4.525 -3.696 -2.732 443 HB2 ARG 61 2HB ARG 61 2.626 -4.889 -0.793 444 HB3 ARG 61 1HB ARG 61 4.269 -4.652 -0.196 445 HG2 ARG 61 2HG ARG 61 4.168 -2.347 -0.419 446 HG3 ARG 61 1HG ARG 61 2.969 -2.419 -1.709 447 HD2 ARG 61 2HD ARG 61 1.849 -1.600 0.286 448 HD3 ARG 61 1HD ARG 61 1.309 -3.270 0.029 449 HE ARG 61 HE ARG 61 3.719 -3.115 1.659 450 HH11 ARG 61 1HH2 ARG 61 0.240 -2.935 1.680 451 HH12 ARG 61 2HH2 ARG 61 0.118 -3.402 3.341 452 HH21 ARG 61 1HH1 ARG 61 3.532 -3.717 3.811 453 HH22 ARG 61 2HH1 ARG 61 1.965 -3.841 4.539 454 H ASN 62 H ASN 62 3.764 -7.128 -2.029 455 HA ASN 62 HA ASN 62 6.537 -7.817 -1.443 456 HB2 ASN 62 2HB ASN 62 3.998 -9.373 -2.012 457 HB3 ASN 62 1HB ASN 62 5.519 -10.147 -1.569 458 HD21 ASN 62 1HD2 ASN 62 2.798 -8.319 -0.335 459 HD22 ASN 62 2HD2 ASN 62 3.285 -8.319 1.291 460 H ALA 63 H ALA 63 4.323 -8.563 -4.168 461 HA ALA 63 HA ALA 63 6.085 -9.952 -5.850 462 HB1 ALA 63 1HB ALA 63 3.843 -7.991 -6.391 463 HB2 ALA 63 2HB ALA 63 3.745 -9.751 -6.341 464 HB3 ALA 63 3HB ALA 63 4.591 -8.951 -7.666 465 H GLN 64 H GLN 64 5.328 -6.475 -6.290 466 HA GLN 64 HA GLN 64 7.334 -5.805 -8.118 467 HB2 GLN 64 2HB GLN 64 5.794 -4.422 -5.978 468 HB3 GLN 64 1HB GLN 64 7.171 -3.548 -6.646 469 HG2 GLN 64 2HG GLN 64 4.922 -4.764 -8.282 470 HG3 GLN 64 1HG GLN 64 5.073 -3.054 -7.883 471 HE21 GLN 64 1HE2 GLN 64 7.863 -2.676 -8.271 472 HE22 GLN 64 2HE2 GLN 64 8.232 -2.932 -9.907 473 H SER 65 H SER 65 7.654 -6.178 -4.610 474 HA SER 65 HA SER 65 10.345 -5.093 -4.441 475 HB2 SER 65 2HB SER 65 8.669 -5.253 -2.587 476 HB3 SER 65 1HB SER 65 8.844 -7.006 -2.622 477 HG SER 65 HG SER 65 10.191 -5.796 -1.072 478 H ASN 66 H ASN 66 8.972 -8.276 -5.073 479 HA ASN 66 HA ASN 66 11.596 -9.621 -4.832 480 HB2 ASN 66 2HB ASN 66 9.189 -10.440 -4.179 481 HB3 ASN 66 1HB ASN 66 9.050 -10.825 -5.895 482 HD21 ASN 66 1HD2 ASN 66 9.504 -13.009 -6.186 483 HD22 ASN 66 2HD2 ASN 66 10.751 -13.859 -5.406 484 H THR 67 H THR 67 9.455 -8.361 -7.318 485 HA THR 67 HA THR 67 10.784 -9.759 -9.525 486 HB THR 67 HB THR 67 9.269 -8.274 -10.858 487 HG1 THR 67 1HG THR 67 8.346 -6.625 -9.936 488 HG21 THR 67 3HG2 THR 67 7.521 -9.215 -8.657 489 HG22 THR 67 1HG2 THR 67 8.606 -10.421 -9.347 490 HG23 THR 67 2HG2 THR 67 7.455 -9.577 -10.382 491 H ALA 68 H ALA 68 10.770 -6.443 -8.187 492 HA ALA 68 HA ALA 68 12.451 -5.202 -10.119 493 HB1 ALA 68 1HB ALA 68 12.512 -4.624 -7.155 494 HB2 ALA 68 2HB ALA 68 11.076 -4.280 -8.118 495 HB3 ALA 68 3HB ALA 68 12.603 -3.481 -8.495 496 H LYS 69 H LYS 69 13.211 -7.412 -7.501 497 HA LYS 69 HA LYS 69 15.974 -6.877 -7.105 498 HB2 LYS 69 2HB LYS 69 14.160 -9.269 -6.911 499 HB3 LYS 69 1HB LYS 69 15.892 -9.475 -6.645 500 HG2 LYS 69 2HG LYS 69 15.606 -7.396 -5.059 501 HG3 LYS 69 1HG LYS 69 13.909 -7.876 -5.052 502 HD2 LYS 69 2HD LYS 69 14.347 -9.911 -4.008 503 HD3 LYS 69 1HD LYS 69 16.015 -9.961 -4.578 504 HE2 LYS 69 2HE LYS 69 16.092 -9.456 -2.210 505 HE3 LYS 69 1HE LYS 69 16.459 -7.944 -3.065 506 HZ1 LYS 69 3HZ LYS 69 13.748 -8.780 -2.178 507 HZ2 LYS 69 1HZ LYS 69 14.150 -7.314 -2.929 508 HZ3 LYS 69 2HZ LYS 69 14.723 -7.652 -1.366 509 H ALA 70 H ALA 70 14.301 -8.683 -9.646 510 HA ALA 70 HA ALA 70 16.686 -9.835 -10.836 511 HB1 ALA 70 1HB ALA 70 14.205 -9.250 -12.405 512 HB2 ALA 70 2HB ALA 70 14.054 -10.314 -11.006 513 HB3 ALA 70 3HB ALA 70 15.148 -10.737 -12.322 514 H PHE 71 H PHE 71 14.740 -6.915 -11.417 515 HA PHE 71 HA PHE 71 16.071 -6.002 -13.779 516 HB2 PHE 71 2HB PHE 71 14.286 -4.964 -11.659 517 HB3 PHE 71 1HB PHE 71 15.248 -3.732 -12.478 518 HD1 PHE 71 1HD PHE 71 12.709 -6.381 -12.923 519 HD2 PHE 71 2HD PHE 71 14.927 -3.234 -14.826 520 HE1 PHE 71 1HE PHE 71 11.191 -6.495 -14.880 521 HE2 PHE 71 2HE PHE 71 13.408 -3.347 -16.784 522 HZ PHE 71 HZ PHE 71 11.540 -4.979 -16.812 523 H LYS 72 H LYS 72 16.599 -5.103 -10.340 524 HA LYS 72 HA LYS 72 19.031 -3.599 -10.958 525 HB2 LYS 72 2HB LYS 72 19.153 -3.475 -8.472 526 HB3 LYS 72 1HB LYS 72 17.543 -3.068 -9.060 527 HG2 LYS 72 2HG LYS 72 16.685 -4.689 -7.756 528 HG3 LYS 72 1HG LYS 72 17.579 -5.885 -8.693 529 HD2 LYS 72 2HD LYS 72 19.221 -6.093 -7.116 530 HD3 LYS 72 1HD LYS 72 19.162 -4.385 -6.681 531 HE2 LYS 72 2HE LYS 72 16.767 -5.068 -5.723 532 HE3 LYS 72 1HE LYS 72 17.537 -6.663 -5.617 533 HZ1 LYS 72 3HZ LYS 72 19.350 -5.742 -4.406 534 HZ2 LYS 72 1HZ LYS 72 17.929 -5.221 -3.641 535 HZ3 LYS 72 2HZ LYS 72 18.793 -4.155 -4.643 536 H ASP 73 H ASP 73 19.643 -5.779 -12.203 537 HA ASP 73 HA ASP 73 21.922 -6.938 -10.898 538 HB2 ASP 73 2HB ASP 73 19.697 -7.978 -9.843 539 HB3 ASP 73 1HB ASP 73 19.747 -8.969 -11.300 540 H ILE 74 H ILE 74 19.319 -7.998 -13.124 541 HA ILE 74 HA ILE 74 20.895 -9.323 -15.054 542 HB ILE 74 HB ILE 74 18.378 -7.632 -15.329 543 HG12 ILE 74 2HG1 ILE 74 18.477 -10.632 -15.254 544 HG13 ILE 74 1HG1 ILE 74 18.600 -9.737 -13.740 545 HG21 ILE 74 1HG2 ILE 74 17.946 -8.898 -17.375 546 HG22 ILE 74 2HG2 ILE 74 19.439 -9.810 -17.160 547 HG23 ILE 74 3HG2 ILE 74 19.504 -8.084 -17.515 548 HD11 ILE 74 3HD1 ILE 74 16.520 -8.424 -14.726 549 HD12 ILE 74 1HD1 ILE 74 16.296 -9.967 -13.902 550 HD13 ILE 74 2HD1 ILE 74 16.310 -9.903 -15.665 551 H ASP 75 H ASP 75 20.227 -5.876 -14.637 552 HA ASP 75 HA ASP 75 21.216 -4.810 -17.064 553 HB2 ASP 75 2HB ASP 75 20.375 -3.930 -14.526 554 HB3 ASP 75 1HB ASP 75 22.005 -3.283 -14.704 555 H ALA 76 H ALA 76 22.940 -5.811 -14.133 556 HA ALA 76 HA ALA 76 25.526 -4.855 -14.631 557 HB1 ALA 76 1HB ALA 76 24.615 -7.508 -13.480 558 HB2 ALA 76 2HB ALA 76 24.745 -5.988 -12.594 559 HB3 ALA 76 3HB ALA 76 26.197 -6.777 -13.212 560 H ALA 77 H ALA 77 23.864 -7.587 -16.158 561 HA ALA 77 HA ALA 77 26.340 -8.478 -17.515 562 HB1 ALA 77 1HB ALA 77 24.854 -10.173 -16.690 563 HB2 ALA 77 2HB ALA 77 24.659 -10.166 -18.443 564 HB3 ALA 77 3HB ALA 77 23.453 -9.388 -17.418 565 H ILE 78 H ILE 78 23.585 -6.432 -18.123 566 HA ILE 78 HA ILE 78 23.602 -6.643 -21.021 567 HB ILE 78 HB ILE 78 22.546 -4.523 -19.121 568 HG12 ILE 78 2HG1 ILE 78 21.134 -6.874 -20.425 569 HG13 ILE 78 1HG1 ILE 78 21.686 -6.855 -18.751 570 HG21 ILE 78 1HG2 ILE 78 20.901 -4.389 -21.214 571 HG22 ILE 78 2HG2 ILE 78 22.327 -4.979 -22.068 572 HG23 ILE 78 3HG2 ILE 78 22.401 -3.462 -21.169 573 HD11 ILE 78 3HD1 ILE 78 19.819 -5.766 -18.127 574 HD12 ILE 78 1HD1 ILE 78 19.238 -5.840 -19.790 575 HD13 ILE 78 2HD1 ILE 78 20.186 -4.455 -19.249 576 H ILE 79 H ILE 79 25.819 -5.238 -18.880 577 HA ILE 79 HA ILE 79 26.634 -3.180 -20.897 578 HB ILE 79 HB ILE 79 27.220 -3.448 -17.927 579 HG12 ILE 79 2HG1 ILE 79 25.449 -1.417 -19.313 580 HG13 ILE 79 1HG1 ILE 79 24.813 -2.928 -18.664 581 HG21 ILE 79 1HG2 ILE 79 27.696 -0.851 -18.571 582 HG22 ILE 79 2HG2 ILE 79 28.181 -1.637 -20.073 583 HG23 ILE 79 3HG2 ILE 79 28.951 -2.090 -18.552 584 HD11 ILE 79 3HD1 ILE 79 24.675 -1.940 -16.648 585 HD12 ILE 79 1HD1 ILE 79 25.484 -0.497 -17.254 586 HD13 ILE 79 2HD1 ILE 79 26.436 -1.840 -16.621 587 H GLN 80 H GLN 80 27.886 -5.690 -18.683 588 HA GLN 80 HA GLN 80 30.567 -5.598 -19.908 589 HB2 GLN 80 2HB GLN 80 29.179 -7.218 -17.758 590 HB3 GLN 80 1HB GLN 80 30.831 -7.569 -18.269 591 HG2 GLN 80 2HG GLN 80 31.517 -5.282 -17.702 592 HG3 GLN 80 1HG GLN 80 29.862 -4.886 -17.237 593 HE21 GLN 80 1HE2 GLN 80 31.968 -7.737 -16.527 594 HE22 GLN 80 2HE2 GLN 80 31.765 -7.648 -14.844 595 H ASN 81 H ASN 81 27.640 -7.548 -20.042 596 HA ASN 81 HA ASN 81 28.934 -9.377 -22.039 597 HB2 ASN 81 2HB ASN 81 26.936 -9.641 -19.849 598 HB3 ASN 81 1HB ASN 81 26.622 -10.597 -21.297 599 HD21 ASN 81 1HD2 ASN 81 29.175 -9.940 -18.854 600 HD22 ASN 81 2HD2 ASN 81 29.940 -11.446 -19.023 601 H PHE 82 H PHE 82 26.824 -6.761 -21.784 602 HA PHE 82 HA PHE 82 25.323 -5.754 -23.238 603 HB2 PHE 82 2HB PHE 82 25.945 -5.885 -25.431 604 HB3 PHE 82 1HB PHE 82 27.293 -6.787 -24.765 605 HD1 PHE 82 2HD PHE 82 23.783 -7.373 -26.012 606 HD2 PHE 82 1HD PHE 82 27.810 -8.849 -25.730 607 HE1 PHE 82 2HE PHE 82 23.178 -9.304 -27.444 608 HE2 PHE 82 1HE PHE 82 27.204 -10.771 -27.172 609 HZ PHE 82 HZ PHE 82 24.888 -11.002 -28.025 610 H ARG 83 H ARG 83 25.046 -9.136 -22.542 611 HA ARG 83 HA ARG 83 23.221 -10.611 -22.562 612 HB2 ARG 83 2HB ARG 83 22.239 -7.896 -21.720 613 HB3 ARG 83 1HB ARG 83 21.187 -9.310 -21.650 614 HG2 ARG 83 2HG ARG 83 23.934 -9.297 -20.401 615 HG3 ARG 83 1HG ARG 83 22.503 -8.765 -19.518 616 HD2 ARG 83 2HD ARG 83 22.825 -11.492 -20.825 617 HD3 ARG 83 1HD ARG 83 22.965 -11.165 -19.086 618 HE ARG 83 HE ARG 83 20.534 -10.031 -19.750 619 HH11 ARG 83 1HH2 ARG 83 21.958 -13.178 -20.203 620 HH12 ARG 83 2HH2 ARG 83 20.435 -13.995 -20.153 621 HH21 ARG 83 1HH1 ARG 83 18.572 -11.115 -19.689 622 HH22 ARG 83 2HH1 ARG 83 18.531 -12.838 -19.865 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 18.264 3.504 -31.448 2 H2 GLY 1 2HT GLY 1 18.337 5.117 -30.920 3 H3 GLY 1 3HT GLY 1 17.756 4.754 -32.475 4 HA2 GLY 1 2HA GLY 1 15.829 5.166 -31.272 5 HA3 GLY 1 1HA GLY 1 15.961 3.406 -31.300 6 H SER 2 H SER 2 14.497 4.513 -29.273 7 HA SER 2 HA SER 2 16.191 3.903 -26.895 8 HB2 SER 2 2HB SER 2 15.005 5.954 -25.839 9 HB3 SER 2 1HB SER 2 16.312 6.268 -26.977 10 HG SER 2 HG SER 2 14.912 7.211 -28.216 11 H HIS 3 H HIS 3 15.080 2.567 -25.514 12 HA HIS 3 HA HIS 3 12.089 2.597 -25.566 13 HB2 HIS 3 2HB HIS 3 14.001 0.292 -25.994 14 HB3 HIS 3 1HB HIS 3 12.323 0.034 -25.518 15 HD1 HIS 3 1HD HIS 3 13.821 -0.552 -28.398 16 HD2 HIS 3 2HD HIS 3 11.023 2.410 -27.512 17 HE1 HIS 3 1HE HIS 3 12.755 0.109 -30.599 18 H MET 4 H MET 4 13.950 3.680 -23.593 19 HA MET 4 HA MET 4 14.342 3.633 -21.263 20 HB2 MET 4 2HB MET 4 11.829 1.946 -21.505 21 HB3 MET 4 1HB MET 4 12.411 2.674 -20.008 22 HG2 MET 4 2HG MET 4 12.008 4.403 -22.430 23 HG3 MET 4 1HG MET 4 10.616 3.942 -21.449 24 HE1 MET 4 3HE MET 4 9.735 5.235 -20.054 25 HE2 MET 4 1HE MET 4 10.427 6.325 -18.844 26 HE3 MET 4 2HE MET 4 10.527 4.580 -18.624 27 H ALA 5 H ALA 5 16.291 2.223 -21.817 28 HA ALA 5 HA ALA 5 16.301 -0.155 -20.126 29 HB1 ALA 5 1HB ALA 5 16.957 -0.723 -22.988 30 HB2 ALA 5 2HB ALA 5 15.253 -0.597 -22.549 31 HB3 ALA 5 3HB ALA 5 16.280 -1.796 -21.762 32 H THR 6 H THR 6 18.037 1.303 -19.283 33 HA THR 6 HA THR 6 20.511 1.323 -20.973 34 HB THR 6 HB THR 6 21.149 3.088 -19.207 35 HG1 THR 6 1HG THR 6 19.634 2.563 -17.655 36 HG21 THR 6 3HG2 THR 6 19.443 4.752 -20.236 37 HG22 THR 6 1HG2 THR 6 18.888 3.368 -21.177 38 HG23 THR 6 2HG2 THR 6 20.555 3.923 -21.325 39 HA PRO 7 HA PRO 7 22.472 -1.477 -18.205 40 HB2 PRO 7 2HB PRO 7 25.024 -0.467 -18.069 41 HB3 PRO 7 1HB PRO 7 24.396 -1.352 -19.470 42 HG2 PRO 7 2HG PRO 7 24.746 1.570 -19.079 43 HG3 PRO 7 1HG PRO 7 24.958 0.590 -20.538 44 HD2 PRO 7 2HD PRO 7 22.771 2.157 -20.062 45 HD3 PRO 7 1HD PRO 7 22.748 0.711 -21.094 46 H TRP 8 H TRP 8 23.598 -1.586 -16.043 47 HA TRP 8 HA TRP 8 23.297 -1.059 -13.744 48 HB2 TRP 8 2HB TRP 8 24.679 1.232 -13.431 49 HB3 TRP 8 1HB TRP 8 25.453 -0.307 -13.777 50 HD1 TRP 8 HD TRP 8 24.225 2.865 -15.594 51 HE1 TRP 8 1HE TRP 8 25.657 3.182 -17.715 52 HE3 TRP 8 3HE TRP 8 27.029 -1.396 -15.407 53 HZ2 TRP 8 2HZ TRP 8 27.722 1.809 -19.140 54 HZ3 TRP 8 3HZ TRP 8 28.723 -1.865 -17.155 55 HH2 TRP 8 HH TRP 8 29.073 -0.269 -19.019 56 H SER 9 H SER 9 20.883 -0.619 -14.164 57 HA SER 9 HA SER 9 20.276 2.094 -13.110 58 HB2 SER 9 2HB SER 9 18.375 2.078 -14.909 59 HB3 SER 9 1HB SER 9 20.009 2.495 -15.416 60 HG SER 9 HG SER 9 20.262 0.463 -16.234 61 H GLY 10 H GLY 10 17.953 -0.186 -14.509 62 HA2 GLY 10 2HA GLY 10 16.319 -1.535 -13.518 63 HA3 GLY 10 1HA GLY 10 17.340 -1.590 -12.081 64 H TYR 11 H TYR 11 17.304 0.428 -10.725 65 HA TYR 11 HA TYR 11 14.508 1.249 -10.295 66 HB2 TYR 11 2HB TYR 11 17.101 1.245 -8.854 67 HB3 TYR 11 1HB TYR 11 15.980 2.531 -8.407 68 HD1 TYR 11 1HD TYR 11 13.722 1.988 -7.533 69 HD2 TYR 11 2HD TYR 11 16.628 -1.067 -8.350 70 HE1 TYR 11 1HE TYR 11 12.401 0.373 -6.193 71 HE2 TYR 11 2HE TYR 11 15.307 -2.682 -7.010 72 HH TYR 11 HH TYR 11 12.911 -1.786 -4.893 73 H LEU 12 H LEU 12 17.270 2.541 -11.908 74 HA LEU 12 HA LEU 12 16.971 5.337 -11.519 75 HB2 LEU 12 2HB LEU 12 18.075 3.479 -13.565 76 HB3 LEU 12 1HB LEU 12 17.817 5.145 -14.082 77 HG LEU 12 HG LEU 12 19.101 5.913 -12.074 78 HD11 LEU 12 1HD1 LEU 12 20.609 3.910 -11.188 79 HD12 LEU 12 2HD1 LEU 12 19.206 2.950 -11.661 80 HD13 LEU 12 3HD1 LEU 12 19.031 4.240 -10.472 81 HD21 LEU 12 3HD2 LEU 12 20.319 5.807 -14.132 82 HD22 LEU 12 1HD2 LEU 12 20.413 4.047 -14.065 83 HD23 LEU 12 2HD2 LEU 12 21.343 5.024 -12.930 84 H ASP 13 H ASP 13 15.014 3.073 -13.342 85 HA ASP 13 HA ASP 13 12.914 5.037 -13.765 86 HB2 ASP 13 2HB ASP 13 14.770 5.575 -15.454 87 HB3 ASP 13 1HB ASP 13 14.359 4.047 -16.234 88 H ASP 14 H ASP 14 14.335 1.945 -14.813 89 HA ASP 14 HA ASP 14 12.050 0.672 -15.873 90 HB2 ASP 14 2HB ASP 14 14.652 -0.054 -14.699 91 HB3 ASP 14 1HB ASP 14 13.440 -1.334 -14.631 92 H VAL 15 H VAL 15 13.274 -0.406 -12.777 93 HA VAL 15 HA VAL 15 10.890 -1.484 -11.786 94 HB VAL 15 HB VAL 15 13.180 -0.153 -10.322 95 HG11 VAL 15 1HG1 VAL 15 12.542 -1.978 -8.624 96 HG12 VAL 15 2HG1 VAL 15 11.016 -2.078 -9.505 97 HG13 VAL 15 3HG1 VAL 15 11.492 -0.566 -8.732 98 HG21 VAL 15 3HG2 VAL 15 14.245 -1.731 -11.635 99 HG22 VAL 15 1HG2 VAL 15 12.818 -2.759 -11.739 100 HG23 VAL 15 2HG2 VAL 15 13.789 -2.746 -10.267 101 H SER 16 H SER 16 12.141 1.820 -11.407 102 HA SER 16 HA SER 16 10.382 2.872 -9.513 103 HB2 SER 16 2HB SER 16 12.140 4.197 -10.313 104 HB3 SER 16 1HB SER 16 11.723 3.895 -11.998 105 HG SER 16 HG SER 16 10.356 5.500 -11.927 106 H ALA 17 H ALA 17 9.745 2.157 -12.928 107 HA ALA 17 HA ALA 17 7.088 3.419 -12.907 108 HB1 ALA 17 1HB ALA 17 7.837 3.394 -15.069 109 HB2 ALA 17 2HB ALA 17 7.224 1.741 -15.088 110 HB3 ALA 17 3HB ALA 17 8.931 2.044 -14.764 111 H LYS 18 H LYS 18 8.451 0.139 -12.790 112 HA LYS 18 HA LYS 18 5.778 -1.081 -12.358 113 HB2 LYS 18 2HB LYS 18 8.565 -2.291 -12.439 114 HB3 LYS 18 1HB LYS 18 7.041 -3.168 -12.571 115 HG2 LYS 18 2HG LYS 18 7.969 -1.042 -14.523 116 HG3 LYS 18 1HG LYS 18 8.130 -2.779 -14.785 117 HD2 LYS 18 2HD LYS 18 5.525 -2.739 -14.216 118 HD3 LYS 18 1HD LYS 18 5.671 -1.080 -14.795 119 HE2 LYS 18 2HE LYS 18 5.203 -2.263 -16.780 120 HE3 LYS 18 1HE LYS 18 6.977 -2.200 -16.801 121 HZ1 LYS 18 3HZ LYS 18 5.287 -4.408 -15.751 122 HZ2 LYS 18 1HZ LYS 18 6.970 -4.323 -15.561 123 HZ3 LYS 18 2HZ LYS 18 6.299 -4.464 -17.115 124 H PHE 19 H PHE 19 7.207 0.740 -10.355 125 HA PHE 19 HA PHE 19 6.797 -0.969 -7.981 126 HB2 PHE 19 2HB PHE 19 9.222 -1.081 -8.887 127 HB3 PHE 19 1HB PHE 19 9.360 0.595 -8.361 128 HD1 PHE 19 2HD PHE 19 8.715 1.121 -5.911 129 HD2 PHE 19 1HD PHE 19 9.564 -2.831 -7.360 130 HE1 PHE 19 2HE PHE 19 9.139 0.362 -3.587 131 HE2 PHE 19 1HE PHE 19 9.991 -3.590 -5.036 132 HZ PHE 19 HZ PHE 19 9.778 -1.994 -3.151 133 H ASP 20 H ASP 20 8.235 2.206 -8.882 134 HA ASP 20 HA ASP 20 7.003 3.590 -6.643 135 HB2 ASP 20 2HB ASP 20 9.068 4.029 -8.390 136 HB3 ASP 20 1HB ASP 20 7.837 5.110 -9.046 137 H THR 21 H THR 21 6.520 4.115 -10.158 138 HA THR 21 HA THR 21 3.970 5.416 -9.840 139 HB THR 21 HB THR 21 5.037 3.924 -12.256 140 HG1 THR 21 1HG THR 21 5.613 6.565 -11.400 141 HG21 THR 21 3HG2 THR 21 2.879 4.724 -12.745 142 HG22 THR 21 1HG2 THR 21 3.931 6.006 -13.347 143 HG23 THR 21 2HG2 THR 21 3.110 6.192 -11.796 144 H GLY 22 H GLY 22 4.943 2.066 -10.494 145 HA2 GLY 22 2HA GLY 22 2.363 0.989 -11.052 146 HA3 GLY 22 1HA GLY 22 3.720 0.065 -10.410 147 H VAL 23 H VAL 23 4.164 0.660 -7.967 148 HA VAL 23 HA VAL 23 1.911 -0.220 -6.453 149 HB VAL 23 HB VAL 23 4.388 1.288 -5.583 150 HG11 VAL 23 1HG1 VAL 23 4.013 0.419 -3.416 151 HG12 VAL 23 2HG1 VAL 23 2.816 -0.737 -4.002 152 HG13 VAL 23 3HG1 VAL 23 2.429 0.983 -3.946 153 HG21 VAL 23 3HG2 VAL 23 4.255 -1.651 -5.304 154 HG22 VAL 23 1HG2 VAL 23 5.593 -0.634 -5.841 155 HG23 VAL 23 2HG2 VAL 23 4.317 -1.081 -6.971 156 H ASP 24 H ASP 24 3.232 3.061 -6.983 157 HA ASP 24 HA ASP 24 1.484 4.469 -5.206 158 HB2 ASP 24 2HB ASP 24 3.517 5.383 -6.317 159 HB3 ASP 24 1HB ASP 24 2.685 5.308 -7.871 160 H ASN 25 H ASN 25 1.137 3.398 -8.568 161 HA ASN 25 HA ASN 25 -1.373 4.678 -9.134 162 HB2 ASN 25 2HB ASN 25 0.298 2.443 -10.199 163 HB3 ASN 25 1HB ASN 25 -1.386 2.499 -10.717 164 HD21 ASN 25 1HD2 ASN 25 -0.857 3.177 -12.905 165 HD22 ASN 25 2HD2 ASN 25 -0.249 4.727 -13.237 166 H LEU 26 H LEU 26 -0.493 1.534 -7.712 167 HA LEU 26 HA LEU 26 -3.211 0.541 -7.527 168 HB2 LEU 26 2HB LEU 26 -0.554 -0.336 -7.033 169 HB3 LEU 26 1HB LEU 26 -1.430 -0.526 -5.518 170 HG LEU 26 HG LEU 26 -2.380 -1.558 -8.195 171 HD11 LEU 26 1HD1 LEU 26 -0.676 -2.711 -6.076 172 HD12 LEU 26 2HD1 LEU 26 -0.775 -3.119 -7.788 173 HD13 LEU 26 3HD1 LEU 26 -1.970 -3.758 -6.659 174 HD21 LEU 26 3HD2 LEU 26 -3.641 -2.874 -6.040 175 HD22 LEU 26 1HD2 LEU 26 -4.375 -1.735 -7.168 176 HD23 LEU 26 2HD2 LEU 26 -3.690 -1.155 -5.650 177 H GLN 27 H GLN 27 -1.098 2.412 -5.373 178 HA GLN 27 HA GLN 27 -2.809 2.259 -3.042 179 HB2 GLN 27 2HB GLN 27 -0.264 3.022 -3.557 180 HB3 GLN 27 1HB GLN 27 -1.036 4.608 -3.517 181 HG2 GLN 27 2HG GLN 27 -2.005 4.071 -1.302 182 HG3 GLN 27 1HG GLN 27 -1.195 2.505 -1.338 183 HE21 GLN 27 1HE2 GLN 27 -0.510 6.031 -1.398 184 HE22 GLN 27 2HE2 GLN 27 1.039 5.896 -0.719 185 H THR 28 H THR 28 -2.568 4.475 -5.799 186 HA THR 28 HA THR 28 -4.597 6.300 -4.674 187 HB THR 28 HB THR 28 -2.600 6.982 -6.091 188 HG1 THR 28 1HG THR 28 -4.188 8.459 -5.970 189 HG21 THR 28 3HG2 THR 28 -2.844 6.716 -8.547 190 HG22 THR 28 1HG2 THR 28 -4.260 5.699 -8.282 191 HG23 THR 28 2HG2 THR 28 -2.675 5.164 -7.727 192 H GLN 29 H GLN 29 -4.379 3.600 -6.912 193 HA GLN 29 HA GLN 29 -6.771 3.832 -8.385 194 HB2 GLN 29 2HB GLN 29 -4.847 1.787 -7.529 195 HB3 GLN 29 1HB GLN 29 -6.458 1.137 -7.804 196 HG2 GLN 29 2HG GLN 29 -6.387 2.490 -10.021 197 HG3 GLN 29 1HG GLN 29 -4.645 2.543 -9.749 198 HE21 GLN 29 1HE2 GLN 29 -4.798 -0.207 -8.361 199 HE22 GLN 29 2HE2 GLN 29 -4.944 -1.310 -9.639 200 H VAL 30 H VAL 30 -6.269 2.126 -5.267 201 HA VAL 30 HA VAL 30 -9.073 1.535 -4.911 202 HB VAL 30 HB VAL 30 -8.165 1.457 -2.371 203 HG11 VAL 30 1HG1 VAL 30 -8.768 -0.349 -4.330 204 HG12 VAL 30 2HG1 VAL 30 -8.274 -0.781 -2.694 205 HG13 VAL 30 3HG1 VAL 30 -7.084 -0.752 -3.994 206 HG21 VAL 30 3HG2 VAL 30 -5.654 0.761 -3.859 207 HG22 VAL 30 1HG2 VAL 30 -5.869 1.125 -2.147 208 HG23 VAL 30 2HG2 VAL 30 -5.921 2.425 -3.338 209 H THR 31 H THR 31 -7.060 4.324 -4.166 210 HA THR 31 HA THR 31 -8.797 5.657 -2.320 211 HB THR 31 HB THR 31 -7.216 6.997 -4.529 212 HG1 THR 31 1HG THR 31 -6.224 5.872 -2.122 213 HG21 THR 31 3HG2 THR 31 -8.502 8.426 -2.997 214 HG22 THR 31 1HG2 THR 31 -6.772 8.636 -2.732 215 HG23 THR 31 2HG2 THR 31 -7.722 7.657 -1.615 216 H GLU 32 H GLU 32 -8.609 5.676 -5.887 217 HA GLU 32 HA GLU 32 -10.908 7.324 -6.397 218 HB2 GLU 32 2HB GLU 32 -9.776 4.959 -7.950 219 HB3 GLU 32 1HB GLU 32 -10.829 6.207 -8.610 220 HG2 GLU 32 2HG GLU 32 -8.066 6.678 -7.461 221 HG3 GLU 32 1HG GLU 32 -8.464 6.623 -9.177 222 H ALA 33 H ALA 33 -10.438 3.799 -6.234 223 HA ALA 33 HA ALA 33 -13.093 2.890 -6.474 224 HB1 ALA 33 1HB ALA 33 -12.227 0.905 -5.349 225 HB2 ALA 33 2HB ALA 33 -10.940 1.843 -4.600 226 HB3 ALA 33 3HB ALA 33 -10.928 1.569 -6.338 227 H LEU 34 H LEU 34 -11.482 4.508 -3.800 228 HA LEU 34 HA LEU 34 -13.429 3.849 -1.747 229 HB2 LEU 34 2HB LEU 34 -10.949 4.785 -1.686 230 HB3 LEU 34 1HB LEU 34 -11.752 6.351 -1.793 231 HG LEU 34 HG LEU 34 -13.230 5.514 0.153 232 HD11 LEU 34 1HD1 LEU 34 -10.868 3.676 0.591 233 HD12 LEU 34 2HD1 LEU 34 -12.367 3.125 -0.157 234 HD13 LEU 34 3HD1 LEU 34 -12.380 3.734 1.498 235 HD21 LEU 34 3HD2 LEU 34 -10.351 6.335 0.251 236 HD22 LEU 34 1HD2 LEU 34 -11.148 5.899 1.764 237 HD23 LEU 34 2HD2 LEU 34 -11.783 7.218 0.779 238 H ASP 35 H ASP 35 -12.757 6.864 -3.558 239 HA ASP 35 HA ASP 35 -15.218 8.175 -2.821 240 HB2 ASP 35 2HB ASP 35 -13.180 8.484 -5.038 241 HB3 ASP 35 1HB ASP 35 -14.555 9.577 -4.880 242 H LYS 36 H LYS 36 -14.482 5.668 -5.093 243 HA LYS 36 HA LYS 36 -16.770 6.167 -6.862 244 HB2 LYS 36 2HB LYS 36 -14.325 4.858 -6.994 245 HB3 LYS 36 1HB LYS 36 -15.468 3.533 -6.900 246 HG2 LYS 36 2HG LYS 36 -16.039 3.841 -9.054 247 HG3 LYS 36 1HG LYS 36 -16.495 5.510 -8.718 248 HD2 LYS 36 2HD LYS 36 -14.728 5.428 -10.435 249 HD3 LYS 36 1HD LYS 36 -14.130 6.202 -8.968 250 HE2 LYS 36 2HE LYS 36 -12.593 4.560 -8.604 251 HE3 LYS 36 1HE LYS 36 -13.753 3.275 -8.996 252 HZ1 LYS 36 3HZ LYS 36 -11.921 3.566 -10.658 253 HZ2 LYS 36 1HZ LYS 36 -12.572 5.087 -11.029 254 HZ3 LYS 36 2HZ LYS 36 -13.487 3.682 -11.304 255 H LEU 37 H LEU 37 -15.851 3.628 -4.468 256 HA LEU 37 HA LEU 37 -18.396 2.310 -4.601 257 HB2 LEU 37 2HB LEU 37 -17.307 0.836 -3.257 258 HB3 LEU 37 1HB LEU 37 -15.903 1.873 -3.442 259 HG LEU 37 HG LEU 37 -16.858 3.183 -1.414 260 HD11 LEU 37 1HD1 LEU 37 -18.083 1.244 0.014 261 HD12 LEU 37 2HD1 LEU 37 -18.636 0.796 -1.599 262 HD13 LEU 37 3HD1 LEU 37 -18.981 2.404 -0.964 263 HD21 LEU 37 3HD2 LEU 37 -14.887 2.007 -0.972 264 HD22 LEU 37 1HD2 LEU 37 -15.592 0.457 -1.432 265 HD23 LEU 37 2HD2 LEU 37 -16.011 1.192 0.116 266 H ALA 38 H ALA 38 -17.170 5.061 -2.802 267 HA ALA 38 HA ALA 38 -19.450 5.333 -1.011 268 HB1 ALA 38 1HB ALA 38 -17.035 6.362 -0.959 269 HB2 ALA 38 2HB ALA 38 -18.382 7.373 -0.436 270 HB3 ALA 38 3HB ALA 38 -17.705 7.573 -2.052 271 H ALA 39 H ALA 39 -18.626 6.242 -4.301 272 HA ALA 39 HA ALA 39 -20.600 8.191 -4.916 273 HB1 ALA 39 1HB ALA 39 -19.800 7.815 -7.056 274 HB2 ALA 39 2HB ALA 39 -19.970 6.066 -6.910 275 HB3 ALA 39 3HB ALA 39 -18.576 6.877 -6.200 276 H LYS 40 H LYS 40 -20.701 4.713 -5.651 277 HA LYS 40 HA LYS 40 -23.620 4.734 -5.980 278 HB2 LYS 40 2HB LYS 40 -21.288 3.094 -6.619 279 HB3 LYS 40 1HB LYS 40 -22.589 2.105 -5.959 280 HG2 LYS 40 2HG LYS 40 -22.828 2.260 -8.385 281 HG3 LYS 40 1HG LYS 40 -24.156 3.122 -7.609 282 HD2 LYS 40 2HD LYS 40 -23.349 5.203 -8.222 283 HD3 LYS 40 1HD LYS 40 -21.673 4.655 -8.266 284 HE2 LYS 40 2HE LYS 40 -21.823 3.980 -10.449 285 HE3 LYS 40 1HE LYS 40 -23.476 3.364 -10.241 286 HZ1 LYS 40 3HZ LYS 40 -22.692 6.229 -10.359 287 HZ2 LYS 40 1HZ LYS 40 -24.267 5.652 -10.115 288 HZ3 LYS 40 2HZ LYS 40 -23.479 5.368 -11.594 289 HA PRO 41 HA PRO 41 -24.528 3.765 -1.744 290 HB2 PRO 41 2HB PRO 41 -26.709 2.066 -2.198 291 HB3 PRO 41 1HB PRO 41 -26.797 3.831 -2.065 292 HG2 PRO 41 2HG PRO 41 -26.803 2.114 -4.476 293 HG3 PRO 41 1HG PRO 41 -27.600 3.667 -4.190 294 HD2 PRO 41 2HD PRO 41 -25.379 3.414 -5.719 295 HD3 PRO 41 1HD PRO 41 -25.747 4.881 -4.784 296 H SER 42 H SER 42 -25.481 1.300 -0.763 297 HA SER 42 HA SER 42 -23.187 -0.350 -0.639 298 HB2 SER 42 2HB SER 42 -24.821 -2.041 0.212 299 HB3 SER 42 1HB SER 42 -25.094 -0.447 0.909 300 HG SER 42 HG SER 42 -26.953 -0.358 -0.075 301 H ASP 43 H ASP 43 -22.346 -0.679 -2.786 302 HA ASP 43 HA ASP 43 -24.065 -2.324 -4.602 303 HB2 ASP 43 2HB ASP 43 -21.950 -0.225 -4.961 304 HB3 ASP 43 1HB ASP 43 -22.232 -1.394 -6.253 305 HA PRO 44 HA PRO 44 -21.142 -5.623 -4.293 306 HB2 PRO 44 2HB PRO 44 -21.553 -6.791 -6.743 307 HB3 PRO 44 1HB PRO 44 -22.708 -6.924 -5.406 308 HG2 PRO 44 2HG PRO 44 -22.814 -5.276 -7.844 309 HG3 PRO 44 1HG PRO 44 -24.132 -5.988 -6.904 310 HD2 PRO 44 2HD PRO 44 -23.364 -3.327 -6.844 311 HD3 PRO 44 1HD PRO 44 -24.345 -4.146 -5.612 312 H ALA 45 H ALA 45 -21.268 -4.039 -7.434 313 HA ALA 45 HA ALA 45 -18.699 -4.863 -8.379 314 HB1 ALA 45 1HB ALA 45 -20.420 -4.240 -9.862 315 HB2 ALA 45 2HB ALA 45 -19.252 -2.922 -9.970 316 HB3 ALA 45 3HB ALA 45 -20.719 -2.728 -9.007 317 H LEU 46 H LEU 46 -19.724 -1.570 -7.385 318 HA LEU 46 HA LEU 46 -17.265 -0.270 -7.408 319 HB2 LEU 46 2HB LEU 46 -19.872 -0.026 -6.129 320 HB3 LEU 46 1HB LEU 46 -18.604 0.628 -5.107 321 HG LEU 46 HG LEU 46 -19.392 2.434 -6.479 322 HD11 LEU 46 1HD1 LEU 46 -16.846 2.052 -6.288 323 HD12 LEU 46 2HD1 LEU 46 -17.415 3.165 -7.531 324 HD13 LEU 46 3HD1 LEU 46 -16.933 1.531 -7.971 325 HD21 LEU 46 3HD2 LEU 46 -20.553 1.572 -8.270 326 HD22 LEU 46 1HD2 LEU 46 -19.328 0.351 -8.615 327 HD23 LEU 46 2HD2 LEU 46 -19.057 2.029 -9.085 328 H LEU 47 H LEU 47 -18.675 -1.655 -4.427 329 HA LEU 47 HA LEU 47 -16.409 -1.483 -2.756 330 HB2 LEU 47 2HB LEU 47 -18.942 -2.240 -2.475 331 HB3 LEU 47 1HB LEU 47 -18.246 -3.850 -2.655 332 HG LEU 47 HG LEU 47 -16.504 -2.826 -0.875 333 HD11 LEU 47 1HD1 LEU 47 -18.226 -1.672 0.798 334 HD12 LEU 47 2HD1 LEU 47 -19.021 -1.214 -0.709 335 HD13 LEU 47 3HD1 LEU 47 -17.355 -0.721 -0.406 336 HD21 LEU 47 3HD2 LEU 47 -17.764 -4.910 -0.599 337 HD22 LEU 47 1HD2 LEU 47 -19.239 -4.001 -0.273 338 HD23 LEU 47 2HD2 LEU 47 -17.898 -3.946 0.871 339 H ALA 48 H ALA 48 -17.472 -4.293 -4.715 340 HA ALA 48 HA ALA 48 -15.304 -6.050 -4.221 341 HB1 ALA 48 1HB ALA 48 -17.297 -6.711 -5.433 342 HB2 ALA 48 2HB ALA 48 -15.926 -6.899 -6.527 343 HB3 ALA 48 3HB ALA 48 -16.991 -5.502 -6.680 344 H ALA 49 H ALA 49 -15.609 -3.294 -6.373 345 HA ALA 49 HA ALA 49 -13.253 -3.704 -7.945 346 HB1 ALA 49 1HB ALA 49 -13.797 -1.583 -8.757 347 HB2 ALA 49 2HB ALA 49 -14.332 -1.011 -7.176 348 HB3 ALA 49 3HB ALA 49 -15.345 -2.117 -8.104 349 H TYR 50 H TYR 50 -13.779 -1.492 -5.129 350 HA TYR 50 HA TYR 50 -11.066 -0.706 -4.807 351 HB2 TYR 50 2HB TYR 50 -13.048 0.276 -3.665 352 HB3 TYR 50 1HB TYR 50 -13.188 -1.184 -2.689 353 HD1 TYR 50 1HD TYR 50 -11.010 -1.878 -1.355 354 HD2 TYR 50 2HD TYR 50 -11.788 2.056 -2.876 355 HE1 TYR 50 1HE TYR 50 -9.376 -0.933 0.239 356 HE2 TYR 50 2HE TYR 50 -10.156 3.003 -1.287 357 HH TYR 50 HH TYR 50 -8.925 1.245 1.343 358 H GLN 51 H GLN 51 -12.785 -3.607 -3.653 359 HA GLN 51 HA GLN 51 -10.618 -4.581 -1.988 360 HB2 GLN 51 2HB GLN 51 -12.958 -5.937 -3.372 361 HB3 GLN 51 1HB GLN 51 -11.960 -6.689 -2.126 362 HG2 GLN 51 2HG GLN 51 -12.595 -4.912 -0.538 363 HG3 GLN 51 1HG GLN 51 -13.598 -4.161 -1.780 364 HE21 GLN 51 1HE2 GLN 51 -15.759 -4.778 -1.706 365 HE22 GLN 51 2HE2 GLN 51 -16.337 -6.235 -1.052 366 H SER 52 H SER 52 -11.762 -5.444 -5.272 367 HA SER 52 HA SER 52 -9.876 -7.350 -6.043 368 HB2 SER 52 2HB SER 52 -11.912 -6.205 -7.242 369 HB3 SER 52 1HB SER 52 -10.708 -5.068 -7.842 370 HG SER 52 HG SER 52 -11.016 -7.813 -8.338 371 H LYS 53 H LYS 53 -9.584 -3.814 -6.117 372 HA LYS 53 HA LYS 53 -6.845 -3.824 -7.135 373 HB2 LYS 53 2HB LYS 53 -8.995 -2.033 -6.807 374 HB3 LYS 53 1HB LYS 53 -7.734 -1.423 -5.741 375 HG2 LYS 53 2HG LYS 53 -6.431 -0.772 -7.462 376 HG3 LYS 53 1HG LYS 53 -6.697 -2.273 -8.346 377 HD2 LYS 53 2HD LYS 53 -9.177 -0.997 -8.463 378 HD3 LYS 53 1HD LYS 53 -8.021 0.318 -8.661 379 HE2 LYS 53 2HE LYS 53 -6.862 -1.429 -10.326 380 HE3 LYS 53 1HE LYS 53 -8.527 -2.034 -10.437 381 HZ1 LYS 53 3HZ LYS 53 -7.842 0.844 -10.636 382 HZ2 LYS 53 1HZ LYS 53 -9.322 0.102 -11.006 383 HZ3 LYS 53 2HZ LYS 53 -7.968 -0.163 -11.999 384 H LEU 54 H LEU 54 -8.447 -3.706 -4.005 385 HA LEU 54 HA LEU 54 -6.190 -2.934 -2.394 386 HB2 LEU 54 2HB LEU 54 -8.580 -2.856 -1.729 387 HB3 LEU 54 1HB LEU 54 -8.642 -4.616 -1.773 388 HG LEU 54 HG LEU 54 -6.533 -4.322 -0.138 389 HD11 LEU 54 1HD1 LEU 54 -6.354 -2.297 0.857 390 HD12 LEU 54 2HD1 LEU 54 -8.095 -2.177 1.100 391 HD13 LEU 54 3HD1 LEU 54 -7.383 -1.684 -0.437 392 HD21 LEU 54 3HD2 LEU 54 -8.153 -4.576 1.739 393 HD22 LEU 54 1HD2 LEU 54 -8.575 -5.592 0.360 394 HD23 LEU 54 2HD2 LEU 54 -9.456 -4.094 0.654 395 H SER 55 H SER 55 -7.713 -6.166 -2.679 396 HA SER 55 HA SER 55 -5.747 -7.726 -1.440 397 HB2 SER 55 2HB SER 55 -7.210 -8.532 -3.961 398 HB3 SER 55 1HB SER 55 -6.783 -9.546 -2.587 399 HG SER 55 HG SER 55 -8.890 -7.794 -2.938 400 H GLU 56 H GLU 56 -5.795 -6.520 -4.781 401 HA GLU 56 HA GLU 56 -3.437 -7.957 -5.671 402 HB2 GLU 56 2HB GLU 56 -5.282 -6.902 -7.069 403 HB3 GLU 56 1HB GLU 56 -4.593 -5.330 -6.663 404 HG2 GLU 56 2HG GLU 56 -3.514 -5.779 -8.674 405 HG3 GLU 56 1HG GLU 56 -2.352 -6.424 -7.515 406 H TYR 57 H TYR 57 -4.060 -4.821 -4.183 407 HA TYR 57 HA TYR 57 -1.430 -3.705 -4.535 408 HB2 TYR 57 2HB TYR 57 -3.485 -2.421 -4.095 409 HB3 TYR 57 1HB TYR 57 -3.621 -3.174 -2.510 410 HD1 TYR 57 2HD TYR 57 -0.555 -1.928 -4.276 411 HD2 TYR 57 1HD TYR 57 -3.293 -1.440 -1.011 412 HE1 TYR 57 2HE TYR 57 0.949 -0.234 -3.263 413 HE2 TYR 57 1HE TYR 57 -1.794 0.252 0.009 414 HH TYR 57 HH TYR 57 0.594 0.874 -0.066 415 H ASN 58 H ASN 58 -2.990 -5.188 -1.653 416 HA ASN 58 HA ASN 58 -0.830 -5.062 0.136 417 HB2 ASN 58 2HB ASN 58 -3.071 -7.035 -0.340 418 HB3 ASN 58 1HB ASN 58 -1.933 -7.273 0.987 419 HD21 ASN 58 1HD2 ASN 58 -4.867 -6.520 1.090 420 HD22 ASN 58 2HD2 ASN 58 -4.919 -5.073 1.975 421 H LEU 59 H LEU 59 -1.569 -7.650 -2.230 422 HA LEU 59 HA LEU 59 0.802 -9.219 -1.696 423 HB2 LEU 59 2HB LEU 59 -1.446 -9.785 -2.902 424 HB3 LEU 59 1HB LEU 59 -0.700 -9.055 -4.319 425 HG LEU 59 HG LEU 59 -0.380 -11.513 -4.278 426 HD11 LEU 59 1HD1 LEU 59 1.424 -9.683 -5.008 427 HD12 LEU 59 2HD1 LEU 59 1.784 -11.410 -5.064 428 HD13 LEU 59 3HD1 LEU 59 2.345 -10.434 -3.705 429 HD21 LEU 59 3HD2 LEU 59 0.661 -12.645 -2.527 430 HD22 LEU 59 1HD2 LEU 59 -0.235 -11.409 -1.643 431 HD23 LEU 59 2HD2 LEU 59 1.489 -11.199 -1.948 432 H TYR 60 H TYR 60 -0.010 -6.533 -3.821 433 HA TYR 60 HA TYR 60 2.125 -6.417 -5.633 434 HB2 TYR 60 2HB TYR 60 0.033 -4.846 -4.810 435 HB3 TYR 60 1HB TYR 60 1.403 -3.889 -4.270 436 HD1 TYR 60 2HD TYR 60 0.460 -5.929 -7.285 437 HD2 TYR 60 1HD TYR 60 2.151 -2.299 -5.742 438 HE1 TYR 60 2HE TYR 60 0.749 -5.077 -9.594 439 HE2 TYR 60 1HE TYR 60 2.434 -1.446 -8.043 440 HH TYR 60 HH TYR 60 2.719 -2.670 -10.435 441 H ARG 61 H ARG 61 2.010 -4.802 -2.437 442 HA ARG 61 HA ARG 61 4.556 -3.746 -2.222 443 HB2 ARG 61 2HB ARG 61 2.551 -4.935 -0.381 444 HB3 ARG 61 1HB ARG 61 4.162 -4.682 0.291 445 HG2 ARG 61 2HG ARG 61 3.998 -2.402 0.184 446 HG3 ARG 61 1HG ARG 61 3.061 -2.437 -1.310 447 HD2 ARG 61 2HD ARG 61 1.633 -1.637 0.520 448 HD3 ARG 61 1HD ARG 61 1.082 -3.250 0.027 449 HE ARG 61 HE ARG 61 1.823 -4.081 2.107 450 HH11 ARG 61 1HH2 ARG 61 3.296 -0.998 1.425 451 HH12 ARG 61 2HH2 ARG 61 4.056 -0.896 2.976 452 HH21 ARG 61 1HH1 ARG 61 2.819 -3.922 4.111 453 HH22 ARG 61 2HH1 ARG 61 3.789 -2.536 4.486 454 H ASN 62 H ASN 62 3.695 -7.162 -1.566 455 HA ASN 62 HA ASN 62 6.424 -7.909 -0.853 456 HB2 ASN 62 2HB ASN 62 3.905 -9.443 -1.567 457 HB3 ASN 62 1HB ASN 62 5.383 -10.208 -0.982 458 HD21 ASN 62 1HD2 ASN 62 2.697 -8.087 -0.043 459 HD22 ASN 62 2HD2 ASN 62 2.998 -8.156 1.626 460 H ALA 63 H ALA 63 4.323 -8.598 -3.679 461 HA ALA 63 HA ALA 63 6.159 -10.016 -5.273 462 HB1 ALA 63 1HB ALA 63 4.043 -7.997 -6.090 463 HB2 ALA 63 2HB ALA 63 3.742 -9.693 -5.706 464 HB3 ALA 63 3HB ALA 63 4.702 -9.266 -7.123 465 H GLN 64 H GLN 64 5.401 -6.541 -5.722 466 HA GLN 64 HA GLN 64 7.443 -5.860 -7.504 467 HB2 GLN 64 2HB GLN 64 5.817 -4.498 -5.421 468 HB3 GLN 64 1HB GLN 64 7.216 -3.608 -6.022 469 HG2 GLN 64 2HG GLN 64 5.324 -3.042 -7.420 470 HG3 GLN 64 1HG GLN 64 6.407 -4.066 -8.364 471 HE21 GLN 64 1HE2 GLN 64 4.607 -4.842 -9.704 472 HE22 GLN 64 2HE2 GLN 64 3.467 -5.939 -9.086 473 H SER 65 H SER 65 7.676 -6.193 -3.974 474 HA SER 65 HA SER 65 10.384 -5.117 -3.811 475 HB2 SER 65 2HB SER 65 10.146 -5.639 -1.501 476 HB3 SER 65 1HB SER 65 8.517 -5.234 -2.034 477 HG SER 65 HG SER 65 8.636 -7.194 -0.808 478 H ASN 66 H ASN 66 8.954 -8.278 -4.344 479 HA ASN 66 HA ASN 66 11.526 -9.684 -3.910 480 HB2 ASN 66 2HB ASN 66 9.232 -10.507 -3.197 481 HB3 ASN 66 1HB ASN 66 8.860 -10.725 -4.908 482 HD21 ASN 66 1HD2 ASN 66 10.318 -12.221 -2.182 483 HD22 ASN 66 2HD2 ASN 66 11.060 -13.510 -3.001 484 H THR 67 H THR 67 9.674 -8.324 -6.529 485 HA THR 67 HA THR 67 11.107 -9.925 -8.579 486 HB THR 67 HB THR 67 9.535 -8.634 -10.080 487 HG1 THR 67 1HG THR 67 8.509 -7.011 -9.265 488 HG21 THR 67 3HG2 THR 67 7.467 -9.726 -9.165 489 HG22 THR 67 1HG2 THR 67 8.378 -10.120 -7.707 490 HG23 THR 67 2HG2 THR 67 8.856 -10.809 -9.259 491 H ALA 68 H ALA 68 10.765 -6.534 -7.503 492 HA ALA 68 HA ALA 68 12.371 -5.279 -9.480 493 HB1 ALA 68 1HB ALA 68 11.084 -3.940 -8.010 494 HB2 ALA 68 2HB ALA 68 12.746 -3.635 -7.506 495 HB3 ALA 68 3HB ALA 68 11.732 -4.740 -6.579 496 H LYS 69 H LYS 69 13.323 -6.753 -6.367 497 HA LYS 69 HA LYS 69 16.064 -6.068 -6.334 498 HB2 LYS 69 2HB LYS 69 14.346 -7.492 -4.791 499 HB3 LYS 69 1HB LYS 69 15.283 -8.810 -5.495 500 HG2 LYS 69 2HG LYS 69 17.345 -7.901 -4.671 501 HG3 LYS 69 1HG LYS 69 16.561 -6.392 -4.201 502 HD2 LYS 69 2HD LYS 69 15.043 -8.105 -2.789 503 HD3 LYS 69 1HD LYS 69 16.536 -9.042 -2.844 504 HE2 LYS 69 2HE LYS 69 16.601 -6.119 -2.087 505 HE3 LYS 69 1HE LYS 69 16.252 -7.368 -0.875 506 HZ1 LYS 69 3HZ LYS 69 18.617 -7.253 -2.671 507 HZ2 LYS 69 1HZ LYS 69 18.249 -8.560 -1.655 508 HZ3 LYS 69 2HZ LYS 69 18.616 -7.043 -0.985 509 H ALA 70 H ALA 70 14.611 -9.085 -7.629 510 HA ALA 70 HA ALA 70 17.040 -10.087 -8.793 511 HB1 ALA 70 1HB ALA 70 14.229 -10.612 -9.775 512 HB2 ALA 70 2HB ALA 70 14.792 -11.236 -8.225 513 HB3 ALA 70 3HB ALA 70 15.590 -11.732 -9.717 514 H PHE 71 H PHE 71 14.523 -7.909 -9.967 515 HA PHE 71 HA PHE 71 15.125 -7.938 -12.754 516 HB2 PHE 71 2HB PHE 71 13.383 -6.665 -11.012 517 HB3 PHE 71 1HB PHE 71 14.378 -5.334 -11.601 518 HD1 PHE 71 1HD PHE 71 12.427 -8.299 -12.792 519 HD2 PHE 71 2HD PHE 71 13.961 -4.394 -13.710 520 HE1 PHE 71 1HE PHE 71 11.180 -8.313 -14.935 521 HE2 PHE 71 2HE PHE 71 12.713 -4.407 -15.854 522 HZ PHE 71 HZ PHE 71 11.322 -6.367 -16.466 523 H LYS 72 H LYS 72 16.166 -5.496 -10.335 524 HA LYS 72 HA LYS 72 18.066 -4.200 -12.028 525 HB2 LYS 72 2HB LYS 72 18.875 -3.261 -9.879 526 HB3 LYS 72 1HB LYS 72 17.113 -3.268 -9.950 527 HG2 LYS 72 2HG LYS 72 16.994 -5.240 -8.562 528 HG3 LYS 72 1HG LYS 72 18.741 -5.465 -8.644 529 HD2 LYS 72 2HD LYS 72 18.892 -3.098 -7.606 530 HD3 LYS 72 1HD LYS 72 17.192 -3.324 -7.191 531 HE2 LYS 72 2HE LYS 72 18.188 -4.207 -5.279 532 HE3 LYS 72 1HE LYS 72 18.128 -5.672 -6.279 533 HZ1 LYS 72 3HZ LYS 72 20.365 -5.393 -5.528 534 HZ2 LYS 72 1HZ LYS 72 20.396 -3.772 -6.023 535 HZ3 LYS 72 2HZ LYS 72 20.328 -5.011 -7.184 536 H ASP 73 H ASP 73 18.293 -7.110 -10.074 537 HA ASP 73 HA ASP 73 21.188 -7.276 -10.020 538 HB2 ASP 73 2HB ASP 73 19.610 -8.383 -8.439 539 HB3 ASP 73 1HB ASP 73 19.049 -9.414 -9.756 540 H ILE 74 H ILE 74 18.717 -9.038 -11.940 541 HA ILE 74 HA ILE 74 20.360 -10.603 -13.572 542 HB ILE 74 HB ILE 74 17.821 -9.072 -14.236 543 HG12 ILE 74 2HG1 ILE 74 17.937 -11.997 -13.616 544 HG13 ILE 74 1HG1 ILE 74 18.086 -10.863 -12.273 545 HG21 ILE 74 1HG2 ILE 74 19.274 -11.308 -15.659 546 HG22 ILE 74 2HG2 ILE 74 18.673 -9.792 -16.332 547 HG23 ILE 74 3HG2 ILE 74 17.540 -11.059 -15.861 548 HD11 ILE 74 3HD1 ILE 74 15.760 -11.232 -12.432 549 HD12 ILE 74 1HD1 ILE 74 15.788 -11.205 -14.194 550 HD13 ILE 74 2HD1 ILE 74 15.999 -9.707 -13.287 551 H ASP 75 H ASP 75 19.517 -7.166 -14.019 552 HA ASP 75 HA ASP 75 20.698 -6.730 -16.566 553 HB2 ASP 75 2HB ASP 75 20.222 -5.073 -14.092 554 HB3 ASP 75 1HB ASP 75 21.001 -4.363 -15.506 555 H ALA 76 H ALA 76 22.128 -6.723 -13.316 556 HA ALA 76 HA ALA 76 24.700 -5.707 -13.883 557 HB1 ALA 76 1HB ALA 76 23.661 -6.265 -11.664 558 HB2 ALA 76 2HB ALA 76 25.313 -6.859 -11.829 559 HB3 ALA 76 3HB ALA 76 23.954 -7.969 -12.006 560 H ALA 77 H ALA 77 23.300 -8.794 -14.757 561 HA ALA 77 HA ALA 77 25.953 -9.955 -15.421 562 HB1 ALA 77 1HB ALA 77 24.187 -11.255 -14.245 563 HB2 ALA 77 2HB ALA 77 24.603 -11.978 -15.799 564 HB3 ALA 77 3HB ALA 77 23.122 -11.033 -15.633 565 H ILE 78 H ILE 78 23.280 -8.321 -16.946 566 HA ILE 78 HA ILE 78 23.692 -9.392 -19.621 567 HB ILE 78 HB ILE 78 22.334 -6.867 -18.621 568 HG12 ILE 78 2HG1 ILE 78 21.148 -9.586 -19.265 569 HG13 ILE 78 1HG1 ILE 78 21.506 -9.033 -17.628 570 HG21 ILE 78 1HG2 ILE 78 22.118 -8.411 -21.222 571 HG22 ILE 78 2HG2 ILE 78 22.754 -6.779 -21.020 572 HG23 ILE 78 3HG2 ILE 78 21.041 -7.097 -20.749 573 HD11 ILE 78 3HD1 ILE 78 20.089 -6.914 -18.478 574 HD12 ILE 78 1HD1 ILE 78 19.323 -8.323 -17.745 575 HD13 ILE 78 2HD1 ILE 78 19.362 -8.154 -19.500 576 H ILE 79 H ILE 79 25.502 -7.218 -17.730 577 HA ILE 79 HA ILE 79 26.587 -5.847 -20.163 578 HB ILE 79 HB ILE 79 26.683 -5.124 -17.213 579 HG12 ILE 79 2HG1 ILE 79 25.088 -3.900 -19.490 580 HG13 ILE 79 1HG1 ILE 79 24.420 -5.000 -18.285 581 HG21 ILE 79 1HG2 ILE 79 27.958 -4.016 -19.655 582 HG22 ILE 79 2HG2 ILE 79 28.476 -3.920 -17.973 583 HG23 ILE 79 3HG2 ILE 79 27.222 -2.836 -18.571 584 HD11 ILE 79 3HD1 ILE 79 25.708 -2.316 -17.704 585 HD12 ILE 79 1HD1 ILE 79 25.063 -3.422 -16.492 586 HD13 ILE 79 2HD1 ILE 79 23.980 -2.662 -17.657 587 H GLN 80 H GLN 80 27.474 -7.553 -17.167 588 HA GLN 80 HA GLN 80 30.334 -7.614 -17.927 589 HB2 GLN 80 2HB GLN 80 28.628 -8.478 -15.592 590 HB3 GLN 80 1HB GLN 80 30.299 -9.026 -15.724 591 HG2 GLN 80 2HG GLN 80 30.794 -6.472 -16.150 592 HG3 GLN 80 1HG GLN 80 29.247 -6.243 -15.332 593 HE21 GLN 80 1HE2 GLN 80 29.222 -8.094 -13.321 594 HE22 GLN 80 2HE2 GLN 80 30.556 -7.904 -12.290 595 H ASN 81 H ASN 81 27.507 -9.713 -17.830 596 HA ASN 81 HA ASN 81 29.129 -11.978 -18.945 597 HB2 ASN 81 2HB ASN 81 26.836 -11.679 -17.079 598 HB3 ASN 81 1HB ASN 81 26.739 -13.045 -18.190 599 HD21 ASN 81 1HD2 ASN 81 28.460 -11.746 -15.413 600 HD22 ASN 81 2HD2 ASN 81 29.445 -13.104 -15.150 601 H PHE 82 H PHE 82 26.963 -9.557 -19.838 602 HA PHE 82 HA PHE 82 25.692 -9.150 -21.736 603 HB2 PHE 82 2HB PHE 82 26.647 -9.921 -23.661 604 HB3 PHE 82 1HB PHE 82 27.889 -10.484 -22.559 605 HD1 PHE 82 2HD PHE 82 24.621 -11.650 -24.034 606 HD2 PHE 82 1HD PHE 82 28.579 -12.706 -22.733 607 HE1 PHE 82 2HE PHE 82 24.273 -13.965 -24.847 608 HE2 PHE 82 1HE PHE 82 28.231 -15.017 -23.559 609 HZ PHE 82 HZ PHE 82 26.076 -15.649 -24.610 610 H ARG 83 H ARG 83 25.362 -12.162 -20.052 611 HA ARG 83 HA ARG 83 23.582 -13.681 -19.866 612 HB2 ARG 83 2HB ARG 83 22.454 -10.899 -20.050 613 HB3 ARG 83 1HB ARG 83 21.415 -12.282 -19.702 614 HG2 ARG 83 2HG ARG 83 23.939 -11.732 -18.137 615 HG3 ARG 83 1HG ARG 83 22.380 -11.052 -17.672 616 HD2 ARG 83 2HD ARG 83 22.953 -14.019 -18.019 617 HD3 ARG 83 1HD ARG 83 22.802 -13.176 -16.465 618 HE ARG 83 HE ARG 83 20.491 -12.460 -17.796 619 HH11 ARG 83 1HH2 ARG 83 22.029 -15.495 -17.049 620 HH12 ARG 83 2HH2 ARG 83 20.532 -16.360 -16.979 621 HH21 ARG 83 1HH1 ARG 83 18.566 -13.606 -17.700 622 HH22 ARG 83 2HH1 ARG 83 18.587 -15.301 -17.344 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 18.653 -2.736 -26.751 2 H2 GLY 1 2HT GLY 1 18.798 -4.250 -27.508 3 H3 GLY 1 3HT GLY 1 18.282 -4.152 -25.893 4 HA2 GLY 1 2HA GLY 1 16.767 -2.895 -28.102 5 HA3 GLY 1 1HA GLY 1 16.498 -4.569 -27.613 6 H SER 2 H SER 2 16.934 -1.403 -25.988 7 HA SER 2 HA SER 2 14.551 -2.078 -24.292 8 HB2 SER 2 2HB SER 2 17.325 -1.155 -23.627 9 HB3 SER 2 1HB SER 2 15.997 -0.632 -22.596 10 HG SER 2 HG SER 2 16.963 -2.638 -21.945 11 H HIS 3 H HIS 3 13.326 -0.203 -23.590 12 HA HIS 3 HA HIS 3 13.385 2.023 -25.520 13 HB2 HIS 3 2HB HIS 3 11.613 1.304 -23.164 14 HB3 HIS 3 1HB HIS 3 11.288 2.623 -24.288 15 HD1 HIS 3 1HD HIS 3 10.142 -0.615 -23.759 16 HD2 HIS 3 2HD HIS 3 11.612 1.293 -27.161 17 HE1 HIS 3 1HE HIS 3 9.292 -1.937 -25.745 18 H MET 4 H MET 4 15.316 3.178 -24.915 19 HA MET 4 HA MET 4 16.591 4.736 -23.676 20 HB2 MET 4 2HB MET 4 13.707 5.203 -22.946 21 HB3 MET 4 1HB MET 4 14.971 6.176 -22.193 22 HG2 MET 4 2HG MET 4 15.563 7.201 -24.182 23 HG3 MET 4 1HG MET 4 15.038 5.834 -25.164 24 HE1 MET 4 3HE MET 4 12.222 6.285 -26.545 25 HE2 MET 4 1HE MET 4 11.513 5.632 -25.061 26 HE3 MET 4 2HE MET 4 13.103 5.091 -25.595 27 H ALA 5 H ALA 5 17.557 2.803 -22.516 28 HA ALA 5 HA ALA 5 17.345 3.162 -19.616 29 HB1 ALA 5 1HB ALA 5 16.548 0.524 -20.886 30 HB2 ALA 5 2HB ALA 5 15.398 1.709 -20.266 31 HB3 ALA 5 3HB ALA 5 16.524 0.912 -19.167 32 H THR 6 H THR 6 19.577 3.364 -19.417 33 HA THR 6 HA THR 6 21.430 1.622 -20.878 34 HB THR 6 HB THR 6 23.097 2.958 -19.584 35 HG1 THR 6 1HG THR 6 21.896 3.168 -17.679 36 HG21 THR 6 3HG2 THR 6 20.810 4.528 -20.804 37 HG22 THR 6 1HG2 THR 6 22.214 3.888 -21.658 38 HG23 THR 6 2HG2 THR 6 22.415 5.182 -20.477 39 HA PRO 7 HA PRO 7 22.003 -1.604 -17.956 40 HB2 PRO 7 2HB PRO 7 24.908 -1.073 -17.787 41 HB3 PRO 7 1HB PRO 7 24.062 -2.517 -18.373 42 HG2 PRO 7 2HG PRO 7 25.327 -0.808 -20.020 43 HG3 PRO 7 1HG PRO 7 23.889 -1.720 -20.500 44 HD2 PRO 7 2HD PRO 7 24.154 1.154 -19.801 45 HD3 PRO 7 1HD PRO 7 23.051 0.358 -20.947 46 H TRP 8 H TRP 8 23.719 -1.917 -15.835 47 HA TRP 8 HA TRP 8 23.603 -1.379 -13.519 48 HB2 TRP 8 2HB TRP 8 24.954 0.980 -13.402 49 HB3 TRP 8 1HB TRP 8 25.721 -0.574 -13.692 50 HD1 TRP 8 HD TRP 8 24.286 2.411 -15.680 51 HE1 TRP 8 1HE TRP 8 25.598 2.608 -17.891 52 HE3 TRP 8 3HE TRP 8 27.291 -1.694 -15.285 53 HZ2 TRP 8 2HZ TRP 8 27.655 1.207 -19.301 54 HZ3 TRP 8 3HZ TRP 8 28.921 -2.236 -17.072 55 HH2 TRP 8 HH TRP 8 29.107 -0.791 -19.077 56 H SER 9 H SER 9 21.087 -0.846 -14.198 57 HA SER 9 HA SER 9 20.545 1.776 -12.865 58 HB2 SER 9 2HB SER 9 18.605 1.879 -14.607 59 HB3 SER 9 1HB SER 9 20.233 2.274 -15.152 60 HG SER 9 HG SER 9 19.151 0.774 -16.529 61 H GLY 10 H GLY 10 18.163 -0.417 -14.309 62 HA2 GLY 10 2HA GLY 10 16.542 -1.795 -13.338 63 HA3 GLY 10 1HA GLY 10 17.597 -1.924 -11.930 64 H TYR 11 H TYR 11 17.621 0.045 -10.494 65 HA TYR 11 HA TYR 11 14.843 0.867 -9.953 66 HB2 TYR 11 2HB TYR 11 17.482 0.817 -8.582 67 HB3 TYR 11 1HB TYR 11 16.338 2.043 -8.038 68 HD1 TYR 11 2HD TYR 11 16.813 -1.605 -8.563 69 HD2 TYR 11 1HD TYR 11 14.386 1.462 -6.787 70 HE1 TYR 11 2HE TYR 11 15.568 -3.329 -7.288 71 HE2 TYR 11 1HE TYR 11 13.141 -0.262 -5.511 72 HH TYR 11 HH TYR 11 14.217 -3.382 -5.106 73 H LEU 12 H LEU 12 17.581 2.204 -11.576 74 HA LEU 12 HA LEU 12 17.284 4.986 -11.055 75 HB2 LEU 12 2HB LEU 12 18.390 3.224 -13.188 76 HB3 LEU 12 1HB LEU 12 18.152 4.920 -13.609 77 HG LEU 12 HG LEU 12 19.430 5.552 -11.545 78 HD11 LEU 12 1HD1 LEU 12 19.320 3.767 -10.063 79 HD12 LEU 12 2HD1 LEU 12 20.914 3.499 -10.767 80 HD13 LEU 12 3HD1 LEU 12 19.531 2.563 -11.334 81 HD21 LEU 12 3HD2 LEU 12 21.107 3.678 -13.209 82 HD22 LEU 12 1HD2 LEU 12 21.535 5.262 -12.564 83 HD23 LEU 12 2HD2 LEU 12 20.419 5.135 -13.923 84 H ASP 13 H ASP 13 15.357 2.795 -13.001 85 HA ASP 13 HA ASP 13 13.257 4.783 -13.350 86 HB2 ASP 13 2HB ASP 13 15.027 5.450 -15.009 87 HB3 ASP 13 1HB ASP 13 14.823 3.880 -15.788 88 H ASP 14 H ASP 14 14.659 1.715 -14.496 89 HA ASP 14 HA ASP 14 12.380 0.482 -15.601 90 HB2 ASP 14 2HB ASP 14 14.955 -0.291 -14.405 91 HB3 ASP 14 1HB ASP 14 13.731 -1.560 -14.366 92 H VAL 15 H VAL 15 13.535 -0.686 -12.518 93 HA VAL 15 HA VAL 15 11.144 -1.764 -11.572 94 HB VAL 15 HB VAL 15 13.411 -0.431 -10.076 95 HG11 VAL 15 1HG1 VAL 15 11.579 -0.837 -8.576 96 HG12 VAL 15 2HG1 VAL 15 12.776 -2.104 -8.309 97 HG13 VAL 15 3HG1 VAL 15 11.322 -2.447 -9.247 98 HG21 VAL 15 3HG2 VAL 15 14.494 -2.026 -11.341 99 HG22 VAL 15 1HG2 VAL 15 13.055 -3.032 -11.494 100 HG23 VAL 15 2HG2 VAL 15 13.982 -3.040 -9.993 101 H SER 16 H SER 16 12.345 1.550 -11.173 102 HA SER 16 HA SER 16 10.526 2.543 -9.287 103 HB2 SER 16 2HB SER 16 12.307 3.891 -9.987 104 HB3 SER 16 1HB SER 16 11.950 3.640 -11.692 105 HG SER 16 HG SER 16 10.722 5.330 -9.814 106 H ALA 17 H ALA 17 9.991 1.983 -12.765 107 HA ALA 17 HA ALA 17 7.411 3.332 -12.856 108 HB1 ALA 17 1HB ALA 17 7.324 2.017 -15.057 109 HB2 ALA 17 2HB ALA 17 8.903 1.371 -14.612 110 HB3 ALA 17 3HB ALA 17 8.697 3.106 -14.857 111 H LYS 18 H LYS 18 8.443 -0.041 -12.423 112 HA LYS 18 HA LYS 18 5.644 -1.010 -12.307 113 HB2 LYS 18 2HB LYS 18 8.327 -2.363 -11.851 114 HB3 LYS 18 1HB LYS 18 6.783 -3.194 -12.028 115 HG2 LYS 18 2HG LYS 18 7.997 -1.384 -14.135 116 HG3 LYS 18 1HG LYS 18 8.115 -3.144 -14.147 117 HD2 LYS 18 2HD LYS 18 5.475 -2.977 -13.873 118 HD3 LYS 18 1HD LYS 18 5.730 -1.400 -14.620 119 HE2 LYS 18 2HE LYS 18 7.101 -3.751 -15.869 120 HE3 LYS 18 1HE LYS 18 5.354 -3.571 -16.128 121 HZ1 LYS 18 3HZ LYS 18 5.661 -1.356 -16.895 122 HZ2 LYS 18 1HZ LYS 18 6.754 -2.328 -17.754 123 HZ3 LYS 18 2HZ LYS 18 7.307 -1.361 -16.470 124 H PHE 19 H PHE 19 8.300 -0.212 -10.187 125 HA PHE 19 HA PHE 19 6.974 -1.282 -7.779 126 HB2 PHE 19 2HB PHE 19 9.548 -1.079 -8.617 127 HB3 PHE 19 1HB PHE 19 9.428 0.395 -7.657 128 HD1 PHE 19 2HD PHE 19 7.831 -0.153 -5.418 129 HD2 PHE 19 1HD PHE 19 10.508 -2.828 -7.442 130 HE1 PHE 19 2HE PHE 19 8.055 -1.493 -3.341 131 HE2 PHE 19 1HE PHE 19 10.736 -4.170 -5.366 132 HZ PHE 19 HZ PHE 19 9.509 -3.503 -3.316 133 H ASP 20 H ASP 20 8.396 1.921 -8.658 134 HA ASP 20 HA ASP 20 6.939 3.313 -6.581 135 HB2 ASP 20 2HB ASP 20 9.019 3.793 -8.442 136 HB3 ASP 20 1HB ASP 20 7.778 4.996 -8.787 137 H THR 21 H THR 21 6.665 4.010 -10.083 138 HA THR 21 HA THR 21 4.086 5.177 -9.951 139 HB THR 21 HB THR 21 5.113 3.572 -12.295 140 HG1 THR 21 1HG THR 21 6.498 5.272 -12.731 141 HG21 THR 21 3HG2 THR 21 4.317 5.914 -13.303 142 HG22 THR 21 1HG2 THR 21 3.342 5.926 -11.834 143 HG23 THR 21 2HG2 THR 21 3.176 4.605 -12.990 144 H GLY 22 H GLY 22 5.042 1.793 -10.478 145 HA2 GLY 22 2HA GLY 22 2.458 0.740 -11.057 146 HA3 GLY 22 1HA GLY 22 3.796 -0.189 -10.382 147 H VAL 23 H VAL 23 4.191 0.302 -7.950 148 HA VAL 23 HA VAL 23 1.878 -0.474 -6.482 149 HB VAL 23 HB VAL 23 4.414 0.894 -5.553 150 HG11 VAL 23 1HG1 VAL 23 3.981 -0.105 -3.414 151 HG12 VAL 23 2HG1 VAL 23 2.624 -1.027 -4.059 152 HG13 VAL 23 3HG1 VAL 23 2.504 0.725 -3.904 153 HG21 VAL 23 3HG2 VAL 23 4.236 -1.448 -6.981 154 HG22 VAL 23 1HG2 VAL 23 4.137 -2.036 -5.321 155 HG23 VAL 23 2HG2 VAL 23 5.524 -1.078 -5.837 156 H ASP 24 H ASP 24 3.395 2.757 -6.836 157 HA ASP 24 HA ASP 24 1.709 4.211 -5.070 158 HB2 ASP 24 2HB ASP 24 3.764 5.045 -6.206 159 HB3 ASP 24 1HB ASP 24 2.897 5.045 -7.742 160 H ASN 25 H ASN 25 1.268 3.291 -8.478 161 HA ASN 25 HA ASN 25 -1.207 4.672 -8.934 162 HB2 ASN 25 2HB ASN 25 0.332 2.390 -10.115 163 HB3 ASN 25 1HB ASN 25 -1.346 2.590 -10.616 164 HD21 ASN 25 1HD2 ASN 25 1.027 5.161 -9.786 165 HD22 ASN 25 2HD2 ASN 25 0.979 5.906 -11.309 166 H LEU 26 H LEU 26 -0.462 1.353 -7.833 167 HA LEU 26 HA LEU 26 -3.174 0.450 -7.573 168 HB2 LEU 26 2HB LEU 26 -0.532 -0.478 -7.097 169 HB3 LEU 26 1HB LEU 26 -1.397 -0.659 -5.575 170 HG LEU 26 HG LEU 26 -2.358 -1.683 -8.251 171 HD11 LEU 26 1HD1 LEU 26 -0.799 -3.278 -7.802 172 HD12 LEU 26 2HD1 LEU 26 -2.020 -3.872 -6.677 173 HD13 LEU 26 3HD1 LEU 26 -0.708 -2.846 -6.096 174 HD21 LEU 26 3HD2 LEU 26 -3.708 -2.964 -6.160 175 HD22 LEU 26 1HD2 LEU 26 -4.371 -1.733 -7.233 176 HD23 LEU 26 2HD2 LEU 26 -3.667 -1.267 -5.686 177 H GLN 27 H GLN 27 -1.089 2.384 -5.485 178 HA GLN 27 HA GLN 27 -2.761 2.170 -3.111 179 HB2 GLN 27 2HB GLN 27 -0.207 2.885 -3.633 180 HB3 GLN 27 1HB GLN 27 -0.944 4.486 -3.562 181 HG2 GLN 27 2HG GLN 27 -1.453 2.427 -1.416 182 HG3 GLN 27 1HG GLN 27 -0.055 3.500 -1.348 183 HE21 GLN 27 1HE2 GLN 27 -0.901 5.951 -2.046 184 HE22 GLN 27 2HE2 GLN 27 -2.227 6.469 -1.121 185 H THR 28 H THR 28 -2.462 4.475 -5.805 186 HA THR 28 HA THR 28 -4.442 6.299 -4.610 187 HB THR 28 HB THR 28 -2.343 6.787 -6.115 188 HG1 THR 28 1HG THR 28 -3.457 8.528 -5.640 189 HG21 THR 28 3HG2 THR 28 -2.503 6.538 -8.387 190 HG22 THR 28 1HG2 THR 28 -4.245 6.817 -8.398 191 HG23 THR 28 2HG2 THR 28 -3.607 5.239 -7.940 192 H GLN 29 H GLN 29 -4.420 3.593 -6.827 193 HA GLN 29 HA GLN 29 -6.828 4.139 -8.268 194 HB2 GLN 29 2HB GLN 29 -4.891 2.076 -8.005 195 HB3 GLN 29 1HB GLN 29 -6.459 1.327 -7.738 196 HG2 GLN 29 2HG GLN 29 -5.629 2.983 -10.137 197 HG3 GLN 29 1HG GLN 29 -5.969 1.254 -10.116 198 HE21 GLN 29 1HE2 GLN 29 -8.352 1.628 -8.276 199 HE22 GLN 29 2HE2 GLN 29 -9.567 2.291 -9.255 200 H VAL 30 H VAL 30 -6.301 2.247 -5.248 201 HA VAL 30 HA VAL 30 -9.087 1.648 -4.866 202 HB VAL 30 HB VAL 30 -8.194 1.671 -2.315 203 HG11 VAL 30 1HG1 VAL 30 -7.055 -0.631 -3.656 204 HG12 VAL 30 2HG1 VAL 30 -8.627 -0.221 -4.340 205 HG13 VAL 30 3HG1 VAL 30 -8.472 -0.531 -2.613 206 HG21 VAL 30 3HG2 VAL 30 -5.894 1.346 -2.079 207 HG22 VAL 30 1HG2 VAL 30 -5.967 2.638 -3.277 208 HG23 VAL 30 2HG2 VAL 30 -5.670 0.976 -3.789 209 H THR 31 H THR 31 -7.154 4.504 -4.224 210 HA THR 31 HA THR 31 -8.905 5.842 -2.393 211 HB THR 31 HB THR 31 -7.373 7.159 -4.649 212 HG1 THR 31 1HG THR 31 -5.579 7.005 -3.130 213 HG21 THR 31 3HG2 THR 31 -7.882 7.882 -1.750 214 HG22 THR 31 1HG2 THR 31 -8.686 8.594 -3.148 215 HG23 THR 31 2HG2 THR 31 -6.961 8.856 -2.896 216 H GLU 32 H GLU 32 -8.747 5.784 -5.968 217 HA GLU 32 HA GLU 32 -11.103 7.359 -6.470 218 HB2 GLU 32 2HB GLU 32 -9.892 5.025 -8.013 219 HB3 GLU 32 1HB GLU 32 -11.009 6.217 -8.673 220 HG2 GLU 32 2HG GLU 32 -8.261 6.830 -7.559 221 HG3 GLU 32 1HG GLU 32 -8.669 6.732 -9.271 222 H ALA 33 H ALA 33 -10.502 3.857 -6.273 223 HA ALA 33 HA ALA 33 -13.116 2.837 -6.480 224 HB1 ALA 33 1HB ALA 33 -12.162 0.903 -5.364 225 HB2 ALA 33 2HB ALA 33 -10.953 1.899 -4.560 226 HB3 ALA 33 3HB ALA 33 -10.858 1.637 -6.298 227 H LEU 34 H LEU 34 -11.558 4.567 -3.843 228 HA LEU 34 HA LEU 34 -13.485 3.894 -1.774 229 HB2 LEU 34 2HB LEU 34 -11.022 4.893 -1.750 230 HB3 LEU 34 1HB LEU 34 -11.873 6.434 -1.856 231 HG LEU 34 HG LEU 34 -13.298 5.596 0.113 232 HD11 LEU 34 1HD1 LEU 34 -12.446 3.808 1.440 233 HD12 LEU 34 2HD1 LEU 34 -10.935 3.756 0.531 234 HD13 LEU 34 3HD1 LEU 34 -12.434 3.206 -0.217 235 HD21 LEU 34 3HD2 LEU 34 -11.114 7.152 0.039 236 HD22 LEU 34 1HD2 LEU 34 -10.456 5.827 1.001 237 HD23 LEU 34 2HD2 LEU 34 -11.881 6.701 1.562 238 H ASP 35 H ASP 35 -12.884 6.918 -3.597 239 HA ASP 35 HA ASP 35 -15.366 8.177 -2.870 240 HB2 ASP 35 2HB ASP 35 -13.337 8.501 -5.091 241 HB3 ASP 35 1HB ASP 35 -14.748 9.554 -4.971 242 H LYS 36 H LYS 36 -14.591 5.670 -5.138 243 HA LYS 36 HA LYS 36 -16.906 6.105 -6.882 244 HB2 LYS 36 2HB LYS 36 -14.439 4.850 -7.037 245 HB3 LYS 36 1HB LYS 36 -15.545 3.496 -6.903 246 HG2 LYS 36 2HG LYS 36 -16.156 3.756 -9.054 247 HG3 LYS 36 1HG LYS 36 -16.656 5.416 -8.733 248 HD2 LYS 36 2HD LYS 36 -14.917 5.366 -10.476 249 HD3 LYS 36 1HD LYS 36 -14.314 6.172 -9.028 250 HE2 LYS 36 2HE LYS 36 -12.730 4.575 -8.668 251 HE3 LYS 36 1HE LYS 36 -13.858 3.255 -9.037 252 HZ1 LYS 36 3HZ LYS 36 -12.203 3.402 -10.771 253 HZ2 LYS 36 1HZ LYS 36 -12.541 5.046 -11.011 254 HZ3 LYS 36 2HZ LYS 36 -13.711 3.876 -11.394 255 H LEU 37 H LEU 37 -15.913 3.578 -4.491 256 HA LEU 37 HA LEU 37 -18.445 2.233 -4.588 257 HB2 LEU 37 2HB LEU 37 -17.318 0.773 -3.260 258 HB3 LEU 37 1HB LEU 37 -15.935 1.838 -3.442 259 HG LEU 37 HG LEU 37 -16.903 3.121 -1.408 260 HD11 LEU 37 1HD1 LEU 37 -18.107 1.159 0.010 261 HD12 LEU 37 2HD1 LEU 37 -18.657 0.719 -1.606 262 HD13 LEU 37 3HD1 LEU 37 -19.017 2.319 -0.958 263 HD21 LEU 37 3HD2 LEU 37 -14.875 1.821 -1.203 264 HD22 LEU 37 1HD2 LEU 37 -15.779 0.307 -1.243 265 HD23 LEU 37 2HD2 LEU 37 -15.911 1.376 0.154 266 H ALA 38 H ALA 38 -17.251 5.016 -2.831 267 HA ALA 38 HA ALA 38 -19.524 5.257 -1.019 268 HB1 ALA 38 1HB ALA 38 -17.154 6.297 -0.886 269 HB2 ALA 38 2HB ALA 38 -18.504 7.365 -0.499 270 HB3 ALA 38 3HB ALA 38 -17.728 7.460 -2.080 271 H ALA 39 H ALA 39 -18.704 6.189 -4.304 272 HA ALA 39 HA ALA 39 -20.689 8.122 -4.923 273 HB1 ALA 39 1HB ALA 39 -19.903 7.733 -7.069 274 HB2 ALA 39 2HB ALA 39 -20.047 5.984 -6.905 275 HB3 ALA 39 3HB ALA 39 -18.662 6.823 -6.208 276 H LYS 40 H LYS 40 -20.778 4.640 -5.636 277 HA LYS 40 HA LYS 40 -23.703 4.652 -5.949 278 HB2 LYS 40 2HB LYS 40 -21.364 3.020 -6.613 279 HB3 LYS 40 1HB LYS 40 -22.679 2.030 -5.979 280 HG2 LYS 40 2HG LYS 40 -22.899 2.229 -8.405 281 HG3 LYS 40 1HG LYS 40 -24.225 3.089 -7.621 282 HD2 LYS 40 2HD LYS 40 -23.353 5.187 -8.143 283 HD3 LYS 40 1HD LYS 40 -21.705 4.577 -8.287 284 HE2 LYS 40 2HE LYS 40 -23.742 3.520 -10.211 285 HE3 LYS 40 1HE LYS 40 -23.121 5.164 -10.468 286 HZ1 LYS 40 3HZ LYS 40 -21.687 3.520 -11.528 287 HZ2 LYS 40 1HZ LYS 40 -21.462 2.734 -10.042 288 HZ3 LYS 40 2HZ LYS 40 -20.869 4.311 -10.267 289 HA PRO 41 HA PRO 41 -24.567 3.618 -1.720 290 HB2 PRO 41 2HB PRO 41 -26.717 1.881 -2.174 291 HB3 PRO 41 1HB PRO 41 -26.839 3.644 -2.026 292 HG2 PRO 41 2HG PRO 41 -26.828 1.949 -4.453 293 HG3 PRO 41 1HG PRO 41 -27.653 3.483 -4.146 294 HD2 PRO 41 2HD PRO 41 -25.438 3.286 -5.692 295 HD3 PRO 41 1HD PRO 41 -25.827 4.738 -4.742 296 H SER 42 H SER 42 -25.470 1.122 -0.762 297 HA SER 42 HA SER 42 -23.147 -0.484 -0.656 298 HB2 SER 42 2HB SER 42 -24.792 -2.243 0.110 299 HB3 SER 42 1HB SER 42 -25.003 -0.686 0.906 300 HG SER 42 HG SER 42 -26.877 -1.940 -0.192 301 H ASP 43 H ASP 43 -22.291 -0.765 -2.803 302 HA ASP 43 HA ASP 43 -23.976 -2.384 -4.671 303 HB2 ASP 43 2HB ASP 43 -21.922 -0.237 -4.916 304 HB3 ASP 43 1HB ASP 43 -21.991 -1.438 -6.206 305 HA PRO 44 HA PRO 44 -21.095 -5.720 -4.336 306 HB2 PRO 44 2HB PRO 44 -21.506 -6.881 -6.786 307 HB3 PRO 44 1HB PRO 44 -22.676 -6.995 -5.461 308 HG2 PRO 44 2HG PRO 44 -22.729 -5.341 -7.898 309 HG3 PRO 44 1HG PRO 44 -24.068 -6.039 -6.978 310 HD2 PRO 44 2HD PRO 44 -23.268 -3.388 -6.897 311 HD3 PRO 44 1HD PRO 44 -24.272 -4.201 -5.679 312 H ALA 45 H ALA 45 -21.174 -4.070 -7.443 313 HA ALA 45 HA ALA 45 -18.585 -4.935 -8.352 314 HB1 ALA 45 1HB ALA 45 -19.161 -3.551 -10.193 315 HB2 ALA 45 2HB ALA 45 -20.187 -2.526 -9.187 316 HB3 ALA 45 3HB ALA 45 -20.689 -4.173 -9.571 317 H LEU 46 H LEU 46 -19.692 -1.669 -7.355 318 HA LEU 46 HA LEU 46 -17.258 -0.304 -7.398 319 HB2 LEU 46 2HB LEU 46 -19.870 -0.129 -6.103 320 HB3 LEU 46 1HB LEU 46 -18.613 0.568 -5.098 321 HG LEU 46 HG LEU 46 -19.459 2.345 -6.468 322 HD11 LEU 46 1HD1 LEU 46 -16.898 2.018 -6.323 323 HD12 LEU 46 2HD1 LEU 46 -17.520 3.125 -7.548 324 HD13 LEU 46 3HD1 LEU 46 -17.009 1.504 -8.006 325 HD21 LEU 46 3HD2 LEU 46 -19.275 0.295 -8.656 326 HD22 LEU 46 1HD2 LEU 46 -19.257 2.015 -9.046 327 HD23 LEU 46 2HD2 LEU 46 -20.639 1.318 -8.201 328 H LEU 47 H LEU 47 -18.649 -1.748 -4.441 329 HA LEU 47 HA LEU 47 -16.390 -1.541 -2.754 330 HB2 LEU 47 2HB LEU 47 -18.922 -2.340 -2.502 331 HB3 LEU 47 1HB LEU 47 -18.188 -3.935 -2.659 332 HG LEU 47 HG LEU 47 -16.491 -2.838 -0.867 333 HD11 LEU 47 1HD1 LEU 47 -19.070 -1.326 -0.740 334 HD12 LEU 47 2HD1 LEU 47 -17.429 -0.769 -0.413 335 HD13 LEU 47 3HD1 LEU 47 -18.281 -1.750 0.780 336 HD21 LEU 47 3HD2 LEU 47 -17.864 -4.969 -0.739 337 HD22 LEU 47 1HD2 LEU 47 -19.183 -3.997 -0.086 338 HD23 LEU 47 2HD2 LEU 47 -17.664 -4.132 0.801 339 H ALA 48 H ALA 48 -17.402 -4.291 -4.813 340 HA ALA 48 HA ALA 48 -15.233 -6.060 -4.313 341 HB1 ALA 48 1HB ALA 48 -17.163 -6.764 -5.561 342 HB2 ALA 48 2HB ALA 48 -15.813 -6.809 -6.695 343 HB3 ALA 48 3HB ALA 48 -16.952 -5.464 -6.733 344 H ALA 49 H ALA 49 -15.537 -3.244 -6.378 345 HA ALA 49 HA ALA 49 -13.172 -3.589 -7.951 346 HB1 ALA 49 1HB ALA 49 -14.259 -0.924 -7.110 347 HB2 ALA 49 2HB ALA 49 -15.283 -2.008 -8.052 348 HB3 ALA 49 3HB ALA 49 -13.741 -1.458 -8.709 349 H TYR 50 H TYR 50 -13.713 -1.394 -5.120 350 HA TYR 50 HA TYR 50 -11.004 -0.647 -4.741 351 HB2 TYR 50 2HB TYR 50 -13.033 0.306 -3.635 352 HB3 TYR 50 1HB TYR 50 -13.140 -1.146 -2.644 353 HD1 TYR 50 1HD TYR 50 -10.920 -1.776 -1.322 354 HD2 TYR 50 2HD TYR 50 -11.848 2.125 -2.838 355 HE1 TYR 50 1HE TYR 50 -9.323 -0.770 0.274 356 HE2 TYR 50 2HE TYR 50 -10.252 3.135 -1.249 357 HH TYR 50 HH TYR 50 -7.976 1.300 0.479 358 H GLN 51 H GLN 51 -12.761 -3.528 -3.589 359 HA GLN 51 HA GLN 51 -10.617 -4.542 -1.928 360 HB2 GLN 51 2HB GLN 51 -12.978 -5.834 -3.334 361 HB3 GLN 51 1HB GLN 51 -11.977 -6.651 -2.133 362 HG2 GLN 51 2HG GLN 51 -12.544 -4.874 -0.488 363 HG3 GLN 51 1HG GLN 51 -13.606 -4.133 -1.685 364 HE21 GLN 51 1HE2 GLN 51 -15.500 -5.466 -2.423 365 HE22 GLN 51 2HE2 GLN 51 -16.131 -6.655 -1.389 366 H SER 52 H SER 52 -11.704 -5.267 -5.261 367 HA SER 52 HA SER 52 -9.857 -7.224 -6.031 368 HB2 SER 52 2HB SER 52 -11.810 -6.144 -7.299 369 HB3 SER 52 1HB SER 52 -10.703 -4.837 -7.708 370 HG SER 52 HG SER 52 -9.981 -6.089 -9.221 371 H LYS 53 H LYS 53 -9.466 -3.687 -5.995 372 HA LYS 53 HA LYS 53 -6.713 -3.740 -6.952 373 HB2 LYS 53 2HB LYS 53 -8.803 -1.850 -6.304 374 HB3 LYS 53 1HB LYS 53 -7.322 -1.365 -5.484 375 HG2 LYS 53 2HG LYS 53 -6.534 -0.549 -7.419 376 HG3 LYS 53 1HG LYS 53 -6.568 -2.170 -8.103 377 HD2 LYS 53 2HD LYS 53 -9.187 -0.774 -7.946 378 HD3 LYS 53 1HD LYS 53 -8.028 -0.123 -9.106 379 HE2 LYS 53 2HE LYS 53 -7.897 -2.165 -10.307 380 HE3 LYS 53 1HE LYS 53 -8.627 -3.086 -8.977 381 HZ1 LYS 53 3HZ LYS 53 -10.295 -2.626 -10.645 382 HZ2 LYS 53 1HZ LYS 53 -9.955 -0.966 -10.584 383 HZ3 LYS 53 2HZ LYS 53 -10.646 -1.740 -9.239 384 H LEU 54 H LEU 54 -8.357 -3.817 -3.848 385 HA LEU 54 HA LEU 54 -6.129 -3.252 -2.133 386 HB2 LEU 54 2HB LEU 54 -8.710 -3.422 -1.744 387 HB3 LEU 54 1HB LEU 54 -8.394 -5.135 -1.483 388 HG LEU 54 HG LEU 54 -6.545 -4.315 0.149 389 HD11 LEU 54 1HD1 LEU 54 -7.772 -2.044 1.115 390 HD12 LEU 54 2HD1 LEU 54 -7.909 -1.822 -0.628 391 HD13 LEU 54 3HD1 LEU 54 -6.325 -2.055 0.109 392 HD21 LEU 54 3HD2 LEU 54 -8.905 -5.343 0.605 393 HD22 LEU 54 1HD2 LEU 54 -9.354 -3.697 1.051 394 HD23 LEU 54 2HD2 LEU 54 -8.071 -4.529 1.929 395 H SER 55 H SER 55 -7.665 -6.442 -2.695 396 HA SER 55 HA SER 55 -5.702 -8.102 -1.602 397 HB2 SER 55 2HB SER 55 -7.681 -8.330 -3.849 398 HB3 SER 55 1HB SER 55 -6.580 -9.670 -3.542 399 HG SER 55 HG SER 55 -8.805 -9.154 -2.296 400 H GLU 56 H GLU 56 -5.765 -6.654 -4.847 401 HA GLU 56 HA GLU 56 -3.378 -8.027 -5.798 402 HB2 GLU 56 2HB GLU 56 -5.286 -6.999 -7.150 403 HB3 GLU 56 1HB GLU 56 -4.607 -5.422 -6.747 404 HG2 GLU 56 2HG GLU 56 -3.550 -5.839 -8.773 405 HG3 GLU 56 1HG GLU 56 -2.369 -6.500 -7.642 406 H TYR 57 H TYR 57 -4.096 -4.979 -4.178 407 HA TYR 57 HA TYR 57 -1.473 -3.800 -4.544 408 HB2 TYR 57 2HB TYR 57 -3.554 -2.537 -4.164 409 HB3 TYR 57 1HB TYR 57 -3.709 -3.266 -2.570 410 HD1 TYR 57 2HD TYR 57 -0.608 -2.033 -4.283 411 HD2 TYR 57 1HD TYR 57 -3.446 -1.477 -1.113 412 HE1 TYR 57 2HE TYR 57 0.854 -0.304 -3.268 413 HE2 TYR 57 1HE TYR 57 -1.987 0.249 -0.094 414 HH TYR 57 HH TYR 57 0.798 0.659 -0.308 415 H ASN 58 H ASN 58 -3.088 -5.195 -1.647 416 HA ASN 58 HA ASN 58 -0.925 -5.077 0.146 417 HB2 ASN 58 2HB ASN 58 -3.279 -6.907 -0.277 418 HB3 ASN 58 1HB ASN 58 -2.115 -7.290 0.992 419 HD21 ASN 58 1HD2 ASN 58 -4.301 -4.679 -0.144 420 HD22 ASN 58 2HD2 ASN 58 -4.477 -3.954 1.380 421 H LEU 59 H LEU 59 -1.702 -7.578 -2.274 422 HA LEU 59 HA LEU 59 0.576 -9.281 -1.669 423 HB2 LEU 59 2HB LEU 59 -1.679 -9.753 -2.905 424 HB3 LEU 59 1HB LEU 59 -0.883 -9.056 -4.314 425 HG LEU 59 HG LEU 59 -0.665 -11.524 -4.267 426 HD11 LEU 59 1HD1 LEU 59 1.220 -9.783 -4.982 427 HD12 LEU 59 2HD1 LEU 59 1.520 -11.520 -5.007 428 HD13 LEU 59 3HD1 LEU 59 2.090 -10.547 -3.652 429 HD21 LEU 59 3HD2 LEU 59 -0.567 -11.440 -1.636 430 HD22 LEU 59 1HD2 LEU 59 1.169 -11.276 -1.900 431 HD23 LEU 59 2HD2 LEU 59 0.315 -12.697 -2.502 432 H TYR 60 H TYR 60 -0.111 -6.584 -3.834 433 HA TYR 60 HA TYR 60 2.065 -6.548 -5.599 434 HB2 TYR 60 2HB TYR 60 0.017 -4.882 -4.772 435 HB3 TYR 60 1HB TYR 60 1.444 -3.970 -4.311 436 HD1 TYR 60 2HD TYR 60 0.362 -6.105 -7.211 437 HD2 TYR 60 1HD TYR 60 2.170 -2.451 -5.869 438 HE1 TYR 60 2HE TYR 60 0.617 -5.364 -9.560 439 HE2 TYR 60 1HE TYR 60 2.420 -1.709 -8.212 440 HH TYR 60 HH TYR 60 1.345 -2.183 -10.421 441 H ARG 61 H ARG 61 1.929 -4.957 -2.392 442 HA ARG 61 HA ARG 61 4.494 -3.954 -2.122 443 HB2 ARG 61 2HB ARG 61 2.431 -5.122 -0.331 444 HB3 ARG 61 1HB ARG 61 4.034 -4.910 0.373 445 HG2 ARG 61 2HG ARG 61 3.919 -2.627 0.289 446 HG3 ARG 61 1HG ARG 61 3.006 -2.626 -1.220 447 HD2 ARG 61 2HD ARG 61 1.559 -1.819 0.588 448 HD3 ARG 61 1HD ARG 61 0.991 -3.422 0.080 449 HE ARG 61 HE ARG 61 2.847 -4.001 2.042 450 HH11 ARG 61 1HH2 ARG 61 0.042 -1.941 1.877 451 HH12 ARG 61 2HH2 ARG 61 -0.310 -2.103 3.563 452 HH21 ARG 61 1HH1 ARG 61 2.367 -4.195 4.224 453 HH22 ARG 61 2HH1 ARG 61 0.995 -3.368 4.882 454 H ASN 62 H ASN 62 3.542 -7.357 -1.533 455 HA ASN 62 HA ASN 62 6.258 -8.166 -0.808 456 HB2 ASN 62 2HB ASN 62 3.734 -9.692 -1.535 457 HB3 ASN 62 1HB ASN 62 5.182 -10.419 -0.836 458 HD21 ASN 62 1HD2 ASN 62 2.264 -8.700 -0.092 459 HD22 ASN 62 2HD2 ASN 62 2.554 -8.500 1.569 460 H ALA 63 H ALA 63 4.105 -8.899 -3.587 461 HA ALA 63 HA ALA 63 5.881 -10.345 -5.202 462 HB1 ALA 63 1HB ALA 63 3.586 -8.467 -5.666 463 HB2 ALA 63 2HB ALA 63 3.671 -10.207 -5.937 464 HB3 ALA 63 3HB ALA 63 4.464 -9.099 -7.058 465 H GLN 64 H GLN 64 5.211 -6.863 -5.735 466 HA GLN 64 HA GLN 64 7.295 -6.278 -7.505 467 HB2 GLN 64 2HB GLN 64 5.550 -4.867 -5.612 468 HB3 GLN 64 1HB GLN 64 7.069 -4.019 -5.902 469 HG2 GLN 64 2HG GLN 64 5.226 -5.035 -8.086 470 HG3 GLN 64 1HG GLN 64 5.282 -3.366 -7.520 471 HE21 GLN 64 1HE2 GLN 64 6.336 -5.147 -10.045 472 HE22 GLN 64 2HE2 GLN 64 7.815 -4.381 -10.372 473 H SER 65 H SER 65 7.470 -6.630 -3.992 474 HA SER 65 HA SER 65 10.172 -5.562 -3.735 475 HB2 SER 65 2HB SER 65 8.193 -7.065 -2.041 476 HB3 SER 65 1HB SER 65 9.852 -6.881 -1.477 477 HG SER 65 HG SER 65 9.354 -4.916 -0.963 478 H ASN 66 H ASN 66 8.740 -8.743 -4.264 479 HA ASN 66 HA ASN 66 11.318 -10.140 -3.908 480 HB2 ASN 66 2HB ASN 66 8.438 -10.800 -4.355 481 HB3 ASN 66 1HB ASN 66 9.632 -12.010 -4.828 482 HD21 ASN 66 1HD2 ASN 66 8.225 -10.309 -2.070 483 HD22 ASN 66 2HD2 ASN 66 8.975 -11.253 -0.875 484 H THR 67 H THR 67 9.389 -8.804 -6.503 485 HA THR 67 HA THR 67 10.783 -10.339 -8.604 486 HB THR 67 HB THR 67 9.286 -8.941 -10.054 487 HG1 THR 67 1HG THR 67 8.475 -7.210 -9.229 488 HG21 THR 67 3HG2 THR 67 7.825 -10.132 -7.686 489 HG22 THR 67 1HG2 THR 67 8.552 -11.098 -8.970 490 HG23 THR 67 2HG2 THR 67 7.233 -9.986 -9.341 491 H ALA 68 H ALA 68 10.656 -6.976 -7.399 492 HA ALA 68 HA ALA 68 12.353 -5.769 -9.337 493 HB1 ALA 68 1HB ALA 68 10.911 -4.746 -7.489 494 HB2 ALA 68 2HB ALA 68 12.488 -3.997 -7.730 495 HB3 ALA 68 3HB ALA 68 12.237 -5.110 -6.384 496 H LYS 69 H LYS 69 13.159 -7.441 -6.292 497 HA LYS 69 HA LYS 69 15.926 -6.900 -6.142 498 HB2 LYS 69 2HB LYS 69 14.231 -9.306 -5.432 499 HB3 LYS 69 1HB LYS 69 15.932 -9.184 -4.980 500 HG2 LYS 69 2HG LYS 69 15.454 -7.051 -3.809 501 HG3 LYS 69 1HG LYS 69 13.748 -7.221 -4.223 502 HD2 LYS 69 2HD LYS 69 13.902 -8.099 -2.029 503 HD3 LYS 69 1HD LYS 69 13.887 -9.526 -3.067 504 HE2 LYS 69 2HE LYS 69 15.725 -10.039 -1.738 505 HE3 LYS 69 1HE LYS 69 16.546 -9.107 -3.006 506 HZ1 LYS 69 3HZ LYS 69 17.146 -8.149 -0.925 507 HZ2 LYS 69 1HZ LYS 69 15.533 -8.098 -0.404 508 HZ3 LYS 69 2HZ LYS 69 16.048 -7.083 -1.666 509 H ALA 70 H ALA 70 14.433 -9.822 -7.604 510 HA ALA 70 HA ALA 70 16.835 -10.806 -8.810 511 HB1 ALA 70 1HB ALA 70 14.750 -12.091 -8.388 512 HB2 ALA 70 2HB ALA 70 15.248 -12.211 -10.076 513 HB3 ALA 70 3HB ALA 70 13.926 -11.136 -9.621 514 H PHE 71 H PHE 71 14.408 -8.484 -9.893 515 HA PHE 71 HA PHE 71 15.042 -8.362 -12.665 516 HB2 PHE 71 2HB PHE 71 13.341 -7.122 -10.861 517 HB3 PHE 71 1HB PHE 71 14.400 -5.803 -11.359 518 HD1 PHE 71 1HD PHE 71 12.684 -8.744 -12.957 519 HD2 PHE 71 2HD PHE 71 13.697 -4.577 -13.198 520 HE1 PHE 71 1HE PHE 71 11.459 -8.570 -15.107 521 HE2 PHE 71 2HE PHE 71 12.473 -4.402 -15.348 522 HZ PHE 71 HZ PHE 71 11.353 -6.399 -16.302 523 H LYS 72 H LYS 72 16.160 -6.100 -10.108 524 HA LYS 72 HA LYS 72 18.143 -4.815 -11.720 525 HB2 LYS 72 2HB LYS 72 18.955 -4.004 -9.519 526 HB3 LYS 72 1HB LYS 72 17.197 -3.924 -9.622 527 HG2 LYS 72 2HG LYS 72 16.942 -5.911 -8.298 528 HG3 LYS 72 1HG LYS 72 18.665 -6.274 -8.401 529 HD2 LYS 72 2HD LYS 72 19.198 -4.269 -7.103 530 HD3 LYS 72 1HD LYS 72 17.492 -3.823 -7.055 531 HE2 LYS 72 2HE LYS 72 17.016 -5.342 -5.411 532 HE3 LYS 72 1HE LYS 72 18.105 -6.565 -6.095 533 HZ1 LYS 72 3HZ LYS 72 18.952 -5.601 -4.001 534 HZ2 LYS 72 1HZ LYS 72 19.004 -4.077 -4.742 535 HZ3 LYS 72 2HZ LYS 72 19.994 -5.332 -5.316 536 H ASP 73 H ASP 73 18.195 -7.829 -9.930 537 HA ASP 73 HA ASP 73 21.074 -8.126 -9.789 538 HB2 ASP 73 2HB ASP 73 18.609 -9.716 -9.320 539 HB3 ASP 73 1HB ASP 73 20.077 -10.645 -9.629 540 H ILE 74 H ILE 74 18.597 -9.556 -11.956 541 HA ILE 74 HA ILE 74 20.183 -11.140 -13.617 542 HB ILE 74 HB ILE 74 17.855 -9.311 -14.301 543 HG12 ILE 74 2HG1 ILE 74 17.602 -12.262 -13.947 544 HG13 ILE 74 1HG1 ILE 74 17.853 -11.302 -12.489 545 HG21 ILE 74 1HG2 ILE 74 19.120 -10.124 -16.310 546 HG22 ILE 74 2HG2 ILE 74 17.475 -10.755 -16.225 547 HG23 ILE 74 3HG2 ILE 74 18.837 -11.779 -15.769 548 HD11 ILE 74 3HD1 ILE 74 15.967 -9.791 -13.708 549 HD12 ILE 74 1HD1 ILE 74 15.575 -11.093 -12.586 550 HD13 ILE 74 2HD1 ILE 74 15.520 -11.381 -14.326 551 H ASP 75 H ASP 75 19.669 -7.614 -13.886 552 HA ASP 75 HA ASP 75 21.099 -7.138 -16.295 553 HB2 ASP 75 2HB ASP 75 20.598 -5.566 -13.763 554 HB3 ASP 75 1HB ASP 75 21.465 -4.859 -15.127 555 H ALA 76 H ALA 76 22.228 -7.433 -12.944 556 HA ALA 76 HA ALA 76 24.911 -6.602 -13.225 557 HB1 ALA 76 1HB ALA 76 23.528 -7.274 -11.173 558 HB2 ALA 76 2HB ALA 76 25.219 -7.776 -11.169 559 HB3 ALA 76 3HB ALA 76 23.954 -8.939 -11.563 560 H ALA 77 H ALA 77 23.360 -9.507 -14.414 561 HA ALA 77 HA ALA 77 25.965 -10.847 -14.908 562 HB1 ALA 77 1HB ALA 77 23.952 -12.024 -13.977 563 HB2 ALA 77 2HB ALA 77 24.531 -12.738 -15.481 564 HB3 ALA 77 3HB ALA 77 23.109 -11.695 -15.491 565 H ILE 78 H ILE 78 23.588 -8.908 -16.563 566 HA ILE 78 HA ILE 78 24.170 -9.869 -19.250 567 HB ILE 78 HB ILE 78 22.937 -7.278 -18.251 568 HG12 ILE 78 2HG1 ILE 78 21.586 -9.862 -19.097 569 HG13 ILE 78 1HG1 ILE 78 21.840 -9.389 -17.417 570 HG21 ILE 78 1HG2 ILE 78 22.986 -8.689 -20.925 571 HG22 ILE 78 2HG2 ILE 78 23.469 -7.033 -20.562 572 HG23 ILE 78 3HG2 ILE 78 21.765 -7.482 -20.523 573 HD11 ILE 78 3HD1 ILE 78 19.728 -8.514 -17.725 574 HD12 ILE 78 1HD1 ILE 78 19.978 -8.243 -19.449 575 HD13 ILE 78 2HD1 ILE 78 20.685 -7.136 -18.271 576 H ILE 79 H ILE 79 25.819 -7.784 -17.055 577 HA ILE 79 HA ILE 79 27.319 -6.477 -19.288 578 HB ILE 79 HB ILE 79 27.109 -5.857 -16.321 579 HG12 ILE 79 2HG1 ILE 79 25.879 -4.479 -18.735 580 HG13 ILE 79 1HG1 ILE 79 25.002 -5.516 -17.610 581 HG21 ILE 79 1HG2 ILE 79 29.158 -5.146 -17.969 582 HG22 ILE 79 2HG2 ILE 79 28.598 -4.152 -16.626 583 HG23 ILE 79 3HG2 ILE 79 28.035 -3.819 -18.264 584 HD11 ILE 79 3HD1 ILE 79 25.908 -2.726 -17.280 585 HD12 ILE 79 1HD1 ILE 79 26.213 -3.762 -15.886 586 HD13 ILE 79 2HD1 ILE 79 24.572 -3.575 -16.504 587 H GLN 80 H GLN 80 27.626 -8.567 -16.467 588 HA GLN 80 HA GLN 80 30.581 -8.744 -16.829 589 HB2 GLN 80 2HB GLN 80 28.561 -9.458 -14.714 590 HB3 GLN 80 1HB GLN 80 30.151 -10.222 -14.690 591 HG2 GLN 80 2HG GLN 80 31.142 -7.881 -14.840 592 HG3 GLN 80 1HG GLN 80 29.518 -7.268 -14.527 593 HE21 GLN 80 1HE2 GLN 80 29.433 -6.672 -12.353 594 HE22 GLN 80 2HE2 GLN 80 30.035 -7.603 -11.068 595 H ASN 81 H ASN 81 27.603 -10.608 -17.085 596 HA ASN 81 HA ASN 81 29.150 -12.974 -18.088 597 HB2 ASN 81 2HB ASN 81 26.731 -12.526 -16.437 598 HB3 ASN 81 1HB ASN 81 26.579 -13.817 -17.628 599 HD21 ASN 81 1HD2 ASN 81 27.772 -15.762 -17.269 600 HD22 ASN 81 2HD2 ASN 81 28.747 -16.014 -15.903 601 H PHE 82 H PHE 82 27.309 -10.363 -19.147 602 HA PHE 82 HA PHE 82 26.297 -9.815 -21.163 603 HB2 PHE 82 2HB PHE 82 27.382 -10.646 -22.992 604 HB3 PHE 82 1HB PHE 82 28.441 -11.338 -21.777 605 HD1 PHE 82 2HD PHE 82 25.257 -12.173 -23.617 606 HD2 PHE 82 1HD PHE 82 28.941 -13.611 -21.936 607 HE1 PHE 82 2HE PHE 82 24.787 -14.433 -24.517 608 HE2 PHE 82 1HE PHE 82 28.474 -15.867 -22.849 609 HZ PHE 82 HZ PHE 82 26.396 -16.280 -24.135 610 H ARG 83 H ARG 83 25.521 -12.804 -19.590 611 HA ARG 83 HA ARG 83 23.601 -14.152 -19.620 612 HB2 ARG 83 2HB ARG 83 22.757 -11.276 -19.870 613 HB3 ARG 83 1HB ARG 83 21.567 -12.560 -19.656 614 HG2 ARG 83 2HG ARG 83 23.953 -12.266 -17.830 615 HG3 ARG 83 1HG ARG 83 22.428 -11.437 -17.517 616 HD2 ARG 83 2HD ARG 83 22.735 -14.444 -17.858 617 HD3 ARG 83 1HD ARG 83 22.517 -13.604 -16.311 618 HE ARG 83 HE ARG 83 20.433 -12.642 -17.848 619 HH11 ARG 83 1HH2 ARG 83 21.574 -15.828 -17.013 620 HH12 ARG 83 2HH2 ARG 83 19.998 -16.534 -17.106 621 HH21 ARG 83 1HH1 ARG 83 18.402 -13.585 -17.962 622 HH22 ARG 83 2HH1 ARG 83 18.216 -15.277 -17.639 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 18.061 -5.341 -28.717 2 H2 GLY 1 2HT GLY 1 19.416 -6.210 -28.172 3 H3 GLY 1 3HT GLY 1 19.623 -4.789 -29.080 4 HA2 GLY 1 2HA GLY 1 20.042 -4.458 -26.689 5 HA3 GLY 1 1HA GLY 1 18.743 -3.446 -27.322 6 H SER 2 H SER 2 17.736 -3.315 -25.239 7 HA SER 2 HA SER 2 16.169 -5.758 -24.535 8 HB2 SER 2 2HB SER 2 16.742 -5.320 -22.146 9 HB3 SER 2 1HB SER 2 18.167 -5.688 -23.113 10 HG SER 2 HG SER 2 17.895 -3.639 -21.619 11 H HIS 3 H HIS 3 14.237 -5.215 -23.240 12 HA HIS 3 HA HIS 3 13.186 -2.516 -23.914 13 HB2 HIS 3 2HB HIS 3 12.056 -5.188 -23.089 14 HB3 HIS 3 1HB HIS 3 11.054 -3.738 -23.037 15 HD1 HIS 3 1HD HIS 3 10.942 -2.360 -25.389 16 HD2 HIS 3 2HD HIS 3 12.268 -6.306 -25.620 17 HE1 HIS 3 1HE HIS 3 10.748 -3.040 -27.820 18 H MET 4 H MET 4 13.640 -1.010 -22.337 19 HA MET 4 HA MET 4 13.819 -0.014 -20.203 20 HB2 MET 4 2HB MET 4 11.586 -2.032 -19.997 21 HB3 MET 4 1HB MET 4 12.012 -1.019 -18.617 22 HG2 MET 4 2HG MET 4 11.601 0.268 -21.296 23 HG3 MET 4 1HG MET 4 10.193 -0.197 -20.342 24 HE1 MET 4 3HE MET 4 9.414 2.161 -18.172 25 HE2 MET 4 1HE MET 4 10.369 1.040 -17.191 26 HE3 MET 4 2HE MET 4 9.440 0.444 -18.564 27 H ALA 5 H ALA 5 16.029 -1.140 -20.126 28 HA ALA 5 HA ALA 5 16.327 -2.514 -17.570 29 HB1 ALA 5 1HB ALA 5 16.294 -3.960 -20.190 30 HB2 ALA 5 2HB ALA 5 15.732 -4.500 -18.607 31 HB3 ALA 5 3HB ALA 5 17.458 -4.492 -18.975 32 H THR 6 H THR 6 17.990 -1.093 -17.016 33 HA THR 6 HA THR 6 20.287 -0.818 -18.914 34 HB THR 6 HB THR 6 20.756 1.103 -17.171 35 HG1 THR 6 1HG THR 6 19.050 0.234 -15.786 36 HG21 THR 6 3HG2 THR 6 19.623 2.591 -18.581 37 HG22 THR 6 1HG2 THR 6 18.281 1.477 -18.837 38 HG23 THR 6 2HG2 THR 6 19.837 1.176 -19.611 39 HA PRO 7 HA PRO 7 22.756 -3.274 -16.204 40 HB2 PRO 7 2HB PRO 7 25.233 -2.167 -16.702 41 HB3 PRO 7 1HB PRO 7 24.427 -3.315 -17.785 42 HG2 PRO 7 2HG PRO 7 24.654 -0.364 -17.987 43 HG3 PRO 7 1HG PRO 7 24.654 -1.589 -19.264 44 HD2 PRO 7 2HD PRO 7 22.502 -0.022 -18.673 45 HD3 PRO 7 1HD PRO 7 22.374 -1.643 -19.390 46 H TRP 8 H TRP 8 24.307 -3.002 -14.325 47 HA TRP 8 HA TRP 8 24.413 -2.140 -12.109 48 HB2 TRP 8 2HB TRP 8 25.649 0.241 -12.425 49 HB3 TRP 8 1HB TRP 8 26.459 -1.299 -12.665 50 HD1 TRP 8 HD TRP 8 24.666 1.446 -14.701 51 HE1 TRP 8 1HE TRP 8 25.662 1.460 -17.079 52 HE3 TRP 8 3HE TRP 8 27.815 -2.559 -14.361 53 HZ2 TRP 8 2HZ TRP 8 27.549 -0.030 -18.628 54 HZ3 TRP 8 3HZ TRP 8 29.203 -3.234 -16.298 55 HH2 TRP 8 HH TRP 8 29.075 -1.976 -18.431 56 H SER 9 H SER 9 21.781 -1.628 -13.107 57 HA SER 9 HA SER 9 21.228 0.972 -11.725 58 HB2 SER 9 2HB SER 9 20.853 1.569 -13.935 59 HB3 SER 9 1HB SER 9 20.456 -0.075 -14.418 60 HG SER 9 HG SER 9 18.741 1.728 -14.107 61 H GLY 10 H GLY 10 18.857 -1.208 -13.199 62 HA2 GLY 10 2HA GLY 10 17.205 -2.568 -12.252 63 HA3 GLY 10 1HA GLY 10 18.248 -2.724 -10.839 64 H TYR 11 H TYR 11 18.293 -0.749 -9.396 65 HA TYR 11 HA TYR 11 15.513 0.110 -8.883 66 HB2 TYR 11 2HB TYR 11 18.104 -0.091 -7.447 67 HB3 TYR 11 1HB TYR 11 17.019 1.187 -6.902 68 HD1 TYR 11 1HD TYR 11 14.517 0.499 -6.530 69 HD2 TYR 11 2HD TYR 11 17.791 -2.279 -6.672 70 HE1 TYR 11 1HE TYR 11 13.147 -1.177 -5.321 71 HE2 TYR 11 2HE TYR 11 16.420 -3.956 -5.463 72 HH TYR 11 HH TYR 11 13.515 -3.167 -3.897 73 H LEU 12 H LEU 12 18.340 1.413 -10.382 74 HA LEU 12 HA LEU 12 18.133 4.181 -9.775 75 HB2 LEU 12 2HB LEU 12 19.272 2.430 -11.868 76 HB3 LEU 12 1HB LEU 12 18.991 4.095 -12.375 77 HG LEU 12 HG LEU 12 20.191 4.809 -10.242 78 HD11 LEU 12 1HD1 LEU 12 20.439 1.845 -10.107 79 HD12 LEU 12 2HD1 LEU 12 20.344 3.027 -8.800 80 HD13 LEU 12 3HD1 LEU 12 21.864 2.781 -9.659 81 HD21 LEU 12 3HD2 LEU 12 21.953 3.147 -12.044 82 HD22 LEU 12 1HD2 LEU 12 22.312 4.700 -11.290 83 HD23 LEU 12 2HD2 LEU 12 21.171 4.614 -12.631 84 H ASP 13 H ASP 13 16.177 2.147 -11.865 85 HA ASP 13 HA ASP 13 14.158 4.232 -12.158 86 HB2 ASP 13 2HB ASP 13 15.988 4.886 -13.756 87 HB3 ASP 13 1HB ASP 13 15.729 3.361 -14.603 88 H ASP 14 H ASP 14 15.449 1.154 -13.406 89 HA ASP 14 HA ASP 14 13.156 0.062 -14.610 90 HB2 ASP 14 2HB ASP 14 15.638 -0.884 -13.327 91 HB3 ASP 14 1HB ASP 14 14.352 -2.087 -13.431 92 H VAL 15 H VAL 15 14.162 -1.188 -11.499 93 HA VAL 15 HA VAL 15 11.686 -2.206 -10.672 94 HB VAL 15 HB VAL 15 13.900 -0.989 -9.000 95 HG11 VAL 15 1HG1 VAL 15 13.097 -3.040 -7.557 96 HG12 VAL 15 2HG1 VAL 15 11.602 -2.822 -8.469 97 HG13 VAL 15 3HG1 VAL 15 12.236 -1.503 -7.485 98 HG21 VAL 15 3HG2 VAL 15 14.010 -3.089 -10.906 99 HG22 VAL 15 1HG2 VAL 15 14.026 -3.859 -9.320 100 HG23 VAL 15 2HG2 VAL 15 15.242 -2.650 -9.724 101 H SER 16 H SER 16 13.056 1.016 -10.125 102 HA SER 16 HA SER 16 11.162 2.091 -8.343 103 HB2 SER 16 2HB SER 16 13.116 3.302 -8.838 104 HB3 SER 16 1HB SER 16 12.877 3.150 -10.576 105 HG SER 16 HG SER 16 12.075 5.100 -10.309 106 H ALA 17 H ALA 17 10.938 1.644 -11.863 107 HA ALA 17 HA ALA 17 8.539 3.214 -12.255 108 HB1 ALA 17 1HB ALA 17 8.508 2.035 -14.412 109 HB2 ALA 17 2HB ALA 17 9.633 0.828 -13.787 110 HB3 ALA 17 3HB ALA 17 10.164 2.495 -14.014 111 H LYS 18 H LYS 18 9.182 -0.149 -11.406 112 HA LYS 18 HA LYS 18 6.322 -0.892 -11.461 113 HB2 LYS 18 2HB LYS 18 8.853 -2.331 -10.583 114 HB3 LYS 18 1HB LYS 18 7.266 -3.086 -10.744 115 HG2 LYS 18 2HG LYS 18 8.491 -1.598 -13.058 116 HG3 LYS 18 1HG LYS 18 8.930 -3.276 -12.737 117 HD2 LYS 18 2HD LYS 18 6.818 -4.072 -13.239 118 HD3 LYS 18 1HD LYS 18 6.025 -2.568 -12.769 119 HE2 LYS 18 2HE LYS 18 5.868 -2.615 -15.153 120 HE3 LYS 18 1HE LYS 18 7.232 -1.527 -14.825 121 HZ1 LYS 18 3HZ LYS 18 8.740 -3.400 -15.026 122 HZ2 LYS 18 1HZ LYS 18 7.836 -3.229 -16.451 123 HZ3 LYS 18 2HZ LYS 18 7.440 -4.449 -15.337 124 H PHE 19 H PHE 19 8.762 0.178 -9.201 125 HA PHE 19 HA PHE 19 7.224 -0.588 -6.811 126 HB2 PHE 19 2HB PHE 19 9.879 0.523 -7.539 127 HB3 PHE 19 1HB PHE 19 9.241 1.049 -5.982 128 HD1 PHE 19 1HD PHE 19 9.263 -2.142 -7.963 129 HD2 PHE 19 2HD PHE 19 9.960 -0.231 -4.181 130 HE1 PHE 19 1HE PHE 19 9.872 -4.329 -6.971 131 HE2 PHE 19 2HE PHE 19 10.572 -2.420 -3.187 132 HZ PHE 19 HZ PHE 19 10.527 -4.469 -4.583 133 H ASP 20 H ASP 20 8.650 2.565 -7.719 134 HA ASP 20 HA ASP 20 6.873 4.159 -6.198 135 HB2 ASP 20 2HB ASP 20 8.430 4.712 -8.744 136 HB3 ASP 20 1HB ASP 20 7.682 5.968 -7.760 137 H THR 21 H THR 21 6.769 4.433 -9.751 138 HA THR 21 HA THR 21 4.107 5.293 -9.956 139 HB THR 21 HB THR 21 5.576 3.501 -11.911 140 HG1 THR 21 1HG THR 21 5.782 6.297 -11.482 141 HG21 THR 21 3HG2 THR 21 3.424 5.606 -12.142 142 HG22 THR 21 1HG2 THR 21 3.380 3.935 -12.702 143 HG23 THR 21 2HG2 THR 21 4.399 5.115 -13.527 144 H GLY 22 H GLY 22 5.289 1.919 -10.284 145 HA2 GLY 22 2HA GLY 22 2.834 0.640 -10.743 146 HA3 GLY 22 1HA GLY 22 4.184 -0.115 -9.904 147 H VAL 23 H VAL 23 4.370 0.486 -7.524 148 HA VAL 23 HA VAL 23 1.990 -0.236 -6.156 149 HB VAL 23 HB VAL 23 4.443 1.223 -5.147 150 HG11 VAL 23 1HG1 VAL 23 2.340 1.016 -3.659 151 HG12 VAL 23 2HG1 VAL 23 3.870 0.447 -2.990 152 HG13 VAL 23 3HG1 VAL 23 2.701 -0.709 -3.629 153 HG21 VAL 23 3HG2 VAL 23 3.897 -1.577 -5.990 154 HG22 VAL 23 1HG2 VAL 23 4.837 -1.372 -4.513 155 HG23 VAL 23 2HG2 VAL 23 5.408 -0.671 -6.027 156 H ASP 24 H ASP 24 3.446 3.024 -6.589 157 HA ASP 24 HA ASP 24 1.594 4.491 -5.001 158 HB2 ASP 24 2HB ASP 24 3.722 5.299 -6.102 159 HB3 ASP 24 1HB ASP 24 2.852 5.324 -7.636 160 H ASN 25 H ASN 25 1.393 3.309 -8.339 161 HA ASN 25 HA ASN 25 -1.073 4.612 -9.050 162 HB2 ASN 25 2HB ASN 25 0.542 3.571 -10.632 163 HB3 ASN 25 1HB ASN 25 0.144 1.984 -9.976 164 HD21 ASN 25 1HD2 ASN 25 -0.998 4.576 -12.063 165 HD22 ASN 25 2HD2 ASN 25 -2.383 3.768 -12.622 166 H LEU 26 H LEU 26 -0.330 1.371 -7.705 167 HA LEU 26 HA LEU 26 -3.071 0.494 -7.515 168 HB2 LEU 26 2HB LEU 26 -0.453 -0.451 -6.919 169 HB3 LEU 26 1HB LEU 26 -1.385 -0.586 -5.431 170 HG LEU 26 HG LEU 26 -2.282 -1.639 -8.119 171 HD11 LEU 26 1HD1 LEU 26 -0.693 -2.811 -5.915 172 HD12 LEU 26 2HD1 LEU 26 -0.709 -3.219 -7.628 173 HD13 LEU 26 3HD1 LEU 26 -1.977 -3.828 -6.565 174 HD21 LEU 26 3HD2 LEU 26 -4.305 -1.639 -7.119 175 HD22 LEU 26 1HD2 LEU 26 -3.607 -1.224 -5.554 176 HD23 LEU 26 2HD2 LEU 26 -3.677 -2.909 -6.069 177 H GLN 27 H GLN 27 -1.035 2.512 -5.475 178 HA GLN 27 HA GLN 27 -2.731 2.383 -3.113 179 HB2 GLN 27 2HB GLN 27 -0.180 3.121 -3.658 180 HB3 GLN 27 1HB GLN 27 -0.948 4.708 -3.626 181 HG2 GLN 27 2HG GLN 27 -1.825 4.302 -1.399 182 HG3 GLN 27 1HG GLN 27 -1.236 2.638 -1.431 183 HE21 GLN 27 1HE2 GLN 27 0.230 5.870 -2.145 184 HE22 GLN 27 2HE2 GLN 27 1.624 5.598 -1.216 185 H THR 28 H THR 28 -2.452 4.577 -5.909 186 HA THR 28 HA THR 28 -4.442 6.435 -4.795 187 HB THR 28 HB THR 28 -2.372 6.830 -6.402 188 HG1 THR 28 1HG THR 28 -4.913 8.038 -6.736 189 HG21 THR 28 3HG2 THR 28 -2.765 6.686 -8.710 190 HG22 THR 28 1HG2 THR 28 -4.515 6.616 -8.505 191 HG23 THR 28 2HG2 THR 28 -3.526 5.212 -8.115 192 H GLN 29 H GLN 29 -4.347 3.708 -7.025 193 HA GLN 29 HA GLN 29 -6.792 4.068 -8.399 194 HB2 GLN 29 2HB GLN 29 -4.793 2.066 -7.989 195 HB3 GLN 29 1HB GLN 29 -6.361 1.303 -7.765 196 HG2 GLN 29 2HG GLN 29 -5.487 2.925 -10.173 197 HG3 GLN 29 1HG GLN 29 -5.721 1.179 -10.122 198 HE21 GLN 29 1HE2 GLN 29 -8.210 1.552 -8.351 199 HE22 GLN 29 2HE2 GLN 29 -9.412 2.069 -9.426 200 H VAL 30 H VAL 30 -6.224 2.257 -5.328 201 HA VAL 30 HA VAL 30 -9.004 1.670 -4.926 202 HB VAL 30 HB VAL 30 -8.120 1.707 -2.379 203 HG11 VAL 30 1HG1 VAL 30 -8.602 -0.439 -2.787 204 HG12 VAL 30 2HG1 VAL 30 -6.991 -0.642 -3.473 205 HG13 VAL 30 3HG1 VAL 30 -8.346 -0.211 -4.517 206 HG21 VAL 30 3HG2 VAL 30 -5.881 2.653 -3.401 207 HG22 VAL 30 1HG2 VAL 30 -5.590 0.960 -3.801 208 HG23 VAL 30 2HG2 VAL 30 -5.830 1.441 -2.121 209 H THR 31 H THR 31 -7.154 4.589 -4.468 210 HA THR 31 HA THR 31 -8.861 5.903 -2.563 211 HB THR 31 HB THR 31 -7.464 7.257 -4.878 212 HG1 THR 31 1HG THR 31 -6.241 6.251 -2.527 213 HG21 THR 31 3HG2 THR 31 -7.166 9.033 -3.339 214 HG22 THR 31 1HG2 THR 31 -7.497 7.994 -1.952 215 HG23 THR 31 2HG2 THR 31 -8.806 8.459 -3.039 216 H GLU 32 H GLU 32 -8.831 5.785 -6.143 217 HA GLU 32 HA GLU 32 -11.262 7.290 -6.553 218 HB2 GLU 32 2HB GLU 32 -10.002 5.032 -8.165 219 HB3 GLU 32 1HB GLU 32 -11.184 6.189 -8.774 220 HG2 GLU 32 2HG GLU 32 -8.440 6.906 -7.713 221 HG3 GLU 32 1HG GLU 32 -8.871 6.796 -9.420 222 H ALA 33 H ALA 33 -10.431 3.892 -6.082 223 HA ALA 33 HA ALA 33 -13.028 2.727 -6.324 224 HB1 ALA 33 1HB ALA 33 -10.907 1.791 -4.394 225 HB2 ALA 33 2HB ALA 33 -10.603 1.730 -6.128 226 HB3 ALA 33 3HB ALA 33 -11.950 0.828 -5.438 227 H LEU 34 H LEU 34 -11.438 4.543 -3.768 228 HA LEU 34 HA LEU 34 -13.224 3.792 -1.607 229 HB2 LEU 34 2HB LEU 34 -10.859 4.863 -1.567 230 HB3 LEU 34 1HB LEU 34 -11.682 6.385 -1.906 231 HG LEU 34 HG LEU 34 -13.220 5.611 0.117 232 HD11 LEU 34 1HD1 LEU 34 -11.970 4.375 1.803 233 HD12 LEU 34 2HD1 LEU 34 -10.554 4.310 0.752 234 HD13 LEU 34 3HD1 LEU 34 -12.016 3.424 0.319 235 HD21 LEU 34 3HD2 LEU 34 -11.799 7.663 -0.014 236 HD22 LEU 34 1HD2 LEU 34 -10.421 6.709 0.534 237 HD23 LEU 34 2HD2 LEU 34 -11.806 6.949 1.598 238 H ASP 35 H ASP 35 -12.913 6.733 -3.620 239 HA ASP 35 HA ASP 35 -15.400 7.939 -2.847 240 HB2 ASP 35 2HB ASP 35 -13.491 8.084 -5.170 241 HB3 ASP 35 1HB ASP 35 -15.037 8.926 -5.285 242 H LYS 36 H LYS 36 -14.551 5.338 -5.011 243 HA LYS 36 HA LYS 36 -16.989 5.208 -6.571 244 HB2 LYS 36 2HB LYS 36 -14.446 3.926 -6.334 245 HB3 LYS 36 1HB LYS 36 -15.660 2.666 -6.205 246 HG2 LYS 36 2HG LYS 36 -16.198 2.826 -8.395 247 HG3 LYS 36 1HG LYS 36 -16.255 4.588 -8.335 248 HD2 LYS 36 2HD LYS 36 -13.548 3.396 -8.125 249 HD3 LYS 36 1HD LYS 36 -14.348 3.183 -9.684 250 HE2 LYS 36 2HE LYS 36 -14.916 5.759 -9.359 251 HE3 LYS 36 1HE LYS 36 -13.464 5.701 -8.340 252 HZ1 LYS 36 3HZ LYS 36 -13.671 4.685 -11.127 253 HZ2 LYS 36 1HZ LYS 36 -12.292 4.585 -10.144 254 HZ3 LYS 36 2HZ LYS 36 -12.864 6.102 -10.650 255 H LEU 37 H LEU 37 -15.773 2.888 -4.156 256 HA LEU 37 HA LEU 37 -18.061 1.447 -3.565 257 HB2 LEU 37 2HB LEU 37 -16.119 0.714 -2.523 258 HB3 LEU 37 1HB LEU 37 -15.609 2.344 -2.103 259 HG LEU 37 HG LEU 37 -17.327 2.419 -0.322 260 HD11 LEU 37 1HD1 LEU 37 -19.093 1.042 -0.836 261 HD12 LEU 37 2HD1 LEU 37 -18.180 -0.085 0.165 262 HD13 LEU 37 3HD1 LEU 37 -18.061 -0.172 -1.593 263 HD21 LEU 37 3HD2 LEU 37 -15.411 0.076 -0.323 264 HD22 LEU 37 1HD2 LEU 37 -16.304 0.583 1.111 265 HD23 LEU 37 2HD2 LEU 37 -15.148 1.682 0.356 266 H ALA 38 H ALA 38 -17.148 4.631 -2.286 267 HA ALA 38 HA ALA 38 -19.563 4.806 -0.612 268 HB1 ALA 38 1HB ALA 38 -17.194 5.685 -0.155 269 HB2 ALA 38 2HB ALA 38 -18.521 6.802 0.162 270 HB3 ALA 38 3HB ALA 38 -17.566 6.962 -1.312 271 H ALA 39 H ALA 39 -18.523 5.793 -3.820 272 HA ALA 39 HA ALA 39 -20.363 7.920 -4.345 273 HB1 ALA 39 1HB ALA 39 -20.076 6.532 -6.731 274 HB2 ALA 39 2HB ALA 39 -18.660 6.013 -5.824 275 HB3 ALA 39 3HB ALA 39 -18.931 7.726 -6.124 276 H LYS 40 H LYS 40 -20.636 4.595 -5.569 277 HA LYS 40 HA LYS 40 -23.549 4.800 -5.822 278 HB2 LYS 40 2HB LYS 40 -21.320 3.156 -6.735 279 HB3 LYS 40 1HB LYS 40 -22.650 2.142 -6.182 280 HG2 LYS 40 2HG LYS 40 -22.940 2.635 -8.554 281 HG3 LYS 40 1HG LYS 40 -24.203 3.450 -7.631 282 HD2 LYS 40 2HD LYS 40 -23.127 5.563 -7.821 283 HD3 LYS 40 1HD LYS 40 -21.616 4.830 -8.361 284 HE2 LYS 40 2HE LYS 40 -24.003 4.242 -10.038 285 HE3 LYS 40 1HE LYS 40 -23.393 5.907 -10.095 286 HZ1 LYS 40 3HZ LYS 40 -21.782 3.436 -10.465 287 HZ2 LYS 40 1HZ LYS 40 -21.151 5.010 -10.423 288 HZ3 LYS 40 2HZ LYS 40 -22.199 4.549 -11.680 289 HA PRO 41 HA PRO 41 -24.564 3.263 -1.793 290 HB2 PRO 41 2HB PRO 41 -26.653 1.589 -3.065 291 HB3 PRO 41 1HB PRO 41 -26.828 2.878 -1.860 292 HG2 PRO 41 2HG PRO 41 -27.559 3.187 -4.430 293 HG3 PRO 41 1HG PRO 41 -26.954 4.520 -3.437 294 HD2 PRO 41 2HD PRO 41 -25.597 3.023 -5.610 295 HD3 PRO 41 1HD PRO 41 -25.404 4.715 -5.103 296 H SER 42 H SER 42 -25.512 0.691 -1.146 297 HA SER 42 HA SER 42 -23.211 -0.945 -1.128 298 HB2 SER 42 2HB SER 42 -25.352 -1.142 0.217 299 HB3 SER 42 1HB SER 42 -26.104 -1.866 -1.201 300 HG SER 42 HG SER 42 -25.205 -3.395 0.310 301 H ASP 43 H ASP 43 -22.262 -1.009 -3.250 302 HA ASP 43 HA ASP 43 -23.874 -2.367 -5.370 303 HB2 ASP 43 2HB ASP 43 -21.779 -0.264 -5.243 304 HB3 ASP 43 1HB ASP 43 -21.708 -1.348 -6.633 305 HA PRO 44 HA PRO 44 -21.145 -5.832 -5.227 306 HB2 PRO 44 2HB PRO 44 -21.398 -6.698 -7.817 307 HB3 PRO 44 1HB PRO 44 -22.669 -6.913 -6.601 308 HG2 PRO 44 2HG PRO 44 -22.492 -5.006 -8.840 309 HG3 PRO 44 1HG PRO 44 -23.916 -5.733 -8.083 310 HD2 PRO 44 2HD PRO 44 -23.003 -3.142 -7.671 311 HD3 PRO 44 1HD PRO 44 -24.143 -4.019 -6.630 312 H ALA 45 H ALA 45 -20.906 -3.874 -8.153 313 HA ALA 45 HA ALA 45 -18.222 -4.731 -8.823 314 HB1 ALA 45 1HB ALA 45 -20.019 -4.079 -10.377 315 HB2 ALA 45 2HB ALA 45 -18.575 -3.092 -10.613 316 HB3 ALA 45 3HB ALA 45 -19.962 -2.435 -9.741 317 H LEU 46 H LEU 46 -19.481 -1.505 -7.858 318 HA LEU 46 HA LEU 46 -17.079 -0.092 -7.605 319 HB2 LEU 46 2HB LEU 46 -19.748 -0.103 -6.230 320 HB3 LEU 46 1HB LEU 46 -18.504 0.975 -5.617 321 HG LEU 46 HG LEU 46 -20.250 1.686 -7.569 322 HD11 LEU 46 1HD1 LEU 46 -17.517 2.517 -6.818 323 HD12 LEU 46 2HD1 LEU 46 -19.016 3.440 -6.801 324 HD13 LEU 46 3HD1 LEU 46 -18.145 3.199 -8.314 325 HD21 LEU 46 3HD2 LEU 46 -19.250 -0.049 -9.140 326 HD22 LEU 46 1HD2 LEU 46 -17.759 0.894 -9.112 327 HD23 LEU 46 2HD2 LEU 46 -19.238 1.603 -9.754 328 H LEU 47 H LEU 47 -18.703 -1.807 -4.908 329 HA LEU 47 HA LEU 47 -16.609 -1.591 -2.988 330 HB2 LEU 47 2HB LEU 47 -18.999 -2.316 -2.654 331 HB3 LEU 47 1HB LEU 47 -18.593 -3.853 -3.420 332 HG LEU 47 HG LEU 47 -16.650 -3.842 -1.605 333 HD11 LEU 47 1HD1 LEU 47 -18.755 -1.948 -0.573 334 HD12 LEU 47 2HD1 LEU 47 -17.001 -1.772 -0.536 335 HD13 LEU 47 3HD1 LEU 47 -17.794 -2.920 0.543 336 HD21 LEU 47 3HD2 LEU 47 -18.475 -4.894 -0.016 337 HD22 LEU 47 1HD2 LEU 47 -18.111 -5.664 -1.560 338 HD23 LEU 47 2HD2 LEU 47 -19.539 -4.642 -1.400 339 H ALA 48 H ALA 48 -17.396 -4.270 -5.219 340 HA ALA 48 HA ALA 48 -15.195 -5.987 -4.708 341 HB1 ALA 48 1HB ALA 48 -15.628 -6.630 -7.140 342 HB2 ALA 48 2HB ALA 48 -16.785 -5.300 -7.190 343 HB3 ALA 48 3HB ALA 48 -17.047 -6.656 -6.093 344 H ALA 49 H ALA 49 -15.443 -2.998 -6.489 345 HA ALA 49 HA ALA 49 -13.041 -3.208 -8.041 346 HB1 ALA 49 1HB ALA 49 -14.125 -0.611 -7.028 347 HB2 ALA 49 2HB ALA 49 -15.177 -1.620 -8.017 348 HB3 ALA 49 3HB ALA 49 -13.639 -1.056 -8.663 349 H TYR 50 H TYR 50 -13.670 -1.236 -5.052 350 HA TYR 50 HA TYR 50 -10.934 -0.607 -4.567 351 HB2 TYR 50 2HB TYR 50 -12.982 0.354 -3.448 352 HB3 TYR 50 1HB TYR 50 -13.077 -1.121 -2.487 353 HD1 TYR 50 1HD TYR 50 -10.819 -1.808 -1.253 354 HD2 TYR 50 2HD TYR 50 -11.751 2.137 -2.634 355 HE1 TYR 50 1HE TYR 50 -9.145 -0.859 0.299 356 HE2 TYR 50 2HE TYR 50 -10.084 3.092 -1.092 357 HH TYR 50 HH TYR 50 -7.780 1.915 0.074 358 H GLN 51 H GLN 51 -12.829 -3.484 -3.617 359 HA GLN 51 HA GLN 51 -10.760 -4.637 -1.953 360 HB2 GLN 51 2HB GLN 51 -13.061 -5.848 -3.525 361 HB3 GLN 51 1HB GLN 51 -12.154 -6.682 -2.264 362 HG2 GLN 51 2HG GLN 51 -12.818 -4.891 -0.656 363 HG3 GLN 51 1HG GLN 51 -13.818 -4.173 -1.919 364 HE21 GLN 51 1HE2 GLN 51 -15.732 -5.394 -2.635 365 HE22 GLN 51 2HE2 GLN 51 -16.370 -6.646 -1.682 366 H SER 52 H SER 52 -11.775 -5.176 -5.339 367 HA SER 52 HA SER 52 -9.974 -7.105 -6.208 368 HB2 SER 52 2HB SER 52 -11.765 -6.079 -7.558 369 HB3 SER 52 1HB SER 52 -10.896 -4.547 -7.576 370 HG SER 52 HG SER 52 -10.497 -5.737 -9.470 371 H LYS 53 H LYS 53 -9.419 -3.578 -6.042 372 HA LYS 53 HA LYS 53 -6.633 -3.766 -6.866 373 HB2 LYS 53 2HB LYS 53 -8.633 -1.758 -6.114 374 HB3 LYS 53 1HB LYS 53 -7.037 -1.369 -5.470 375 HG2 LYS 53 2HG LYS 53 -6.517 -0.571 -7.511 376 HG3 LYS 53 1HG LYS 53 -6.525 -2.237 -8.082 377 HD2 LYS 53 2HD LYS 53 -9.032 -1.997 -8.421 378 HD3 LYS 53 1HD LYS 53 -8.830 -0.272 -8.118 379 HE2 LYS 53 2HE LYS 53 -7.192 -0.154 -9.998 380 HE3 LYS 53 1HE LYS 53 -7.494 -1.871 -10.332 381 HZ1 LYS 53 3HZ LYS 53 -9.775 -1.442 -10.721 382 HZ2 LYS 53 1HZ LYS 53 -8.924 -0.281 -11.617 383 HZ3 LYS 53 2HZ LYS 53 -9.656 0.153 -10.146 384 H LEU 54 H LEU 54 -8.398 -3.860 -3.829 385 HA LEU 54 HA LEU 54 -6.234 -3.407 -2.011 386 HB2 LEU 54 2HB LEU 54 -8.822 -3.568 -1.711 387 HB3 LEU 54 1HB LEU 54 -8.540 -5.296 -1.535 388 HG LEU 54 HG LEU 54 -6.807 -4.702 0.235 389 HD11 LEU 54 1HD1 LEU 54 -7.754 -2.304 1.190 390 HD12 LEU 54 2HD1 LEU 54 -7.795 -2.035 -0.553 391 HD13 LEU 54 3HD1 LEU 54 -6.283 -2.488 0.235 392 HD21 LEU 54 3HD2 LEU 54 -9.761 -4.128 0.549 393 HD22 LEU 54 1HD2 LEU 54 -8.662 -4.132 1.928 394 HD23 LEU 54 2HD2 LEU 54 -8.887 -5.600 0.976 395 H SER 55 H SER 55 -7.772 -6.567 -2.700 396 HA SER 55 HA SER 55 -5.817 -8.264 -1.649 397 HB2 SER 55 2HB SER 55 -7.733 -8.458 -3.970 398 HB3 SER 55 1HB SER 55 -6.705 -9.821 -3.540 399 HG SER 55 HG SER 55 -7.651 -9.889 -1.543 400 H GLU 56 H GLU 56 -5.788 -6.546 -4.727 401 HA GLU 56 HA GLU 56 -3.440 -7.964 -5.774 402 HB2 GLU 56 2HB GLU 56 -5.361 -6.863 -7.070 403 HB3 GLU 56 1HB GLU 56 -4.634 -5.315 -6.639 404 HG2 GLU 56 2HG GLU 56 -3.614 -5.714 -8.687 405 HG3 GLU 56 1HG GLU 56 -2.438 -6.431 -7.585 406 H TYR 57 H TYR 57 -4.160 -4.945 -4.089 407 HA TYR 57 HA TYR 57 -1.512 -3.794 -4.389 408 HB2 TYR 57 2HB TYR 57 -3.594 -2.511 -4.044 409 HB3 TYR 57 1HB TYR 57 -3.781 -3.244 -2.454 410 HD1 TYR 57 2HD TYR 57 -0.659 -2.012 -4.141 411 HD2 TYR 57 1HD TYR 57 -3.493 -1.499 -0.963 412 HE1 TYR 57 2HE TYR 57 0.812 -0.311 -3.096 413 HE2 TYR 57 1HE TYR 57 -2.025 0.199 0.089 414 HH TYR 57 HH TYR 57 0.421 0.780 0.066 415 H ASN 58 H ASN 58 -3.218 -5.179 -1.537 416 HA ASN 58 HA ASN 58 -1.092 -5.116 0.299 417 HB2 ASN 58 2HB ASN 58 -3.534 -6.772 -0.172 418 HB3 ASN 58 1HB ASN 58 -2.369 -7.396 0.996 419 HD21 ASN 58 1HD2 ASN 58 -4.556 -4.678 0.312 420 HD22 ASN 58 2HD2 ASN 58 -4.520 -4.032 1.881 421 H LEU 59 H LEU 59 -1.859 -7.572 -2.167 422 HA LEU 59 HA LEU 59 0.368 -9.330 -1.530 423 HB2 LEU 59 2HB LEU 59 -1.864 -9.748 -2.822 424 HB3 LEU 59 1HB LEU 59 -1.031 -9.037 -4.202 425 HG LEU 59 HG LEU 59 -0.854 -11.511 -4.192 426 HD11 LEU 59 1HD1 LEU 59 1.909 -10.604 -3.522 427 HD12 LEU 59 2HD1 LEU 59 1.073 -9.774 -4.835 428 HD13 LEU 59 3HD1 LEU 59 1.332 -11.517 -4.917 429 HD21 LEU 59 3HD2 LEU 59 1.007 -11.426 -1.862 430 HD22 LEU 59 1HD2 LEU 59 -0.045 -12.730 -2.413 431 HD23 LEU 59 2HD2 LEU 59 -0.722 -11.372 -1.516 432 H TYR 60 H TYR 60 -0.223 -6.600 -3.679 433 HA TYR 60 HA TYR 60 1.982 -6.555 -5.400 434 HB2 TYR 60 2HB TYR 60 -0.048 -4.892 -4.612 435 HB3 TYR 60 1HB TYR 60 1.347 -4.025 -3.995 436 HD1 TYR 60 2HD TYR 60 0.555 -5.995 -7.096 437 HD2 TYR 60 1HD TYR 60 2.088 -2.370 -5.391 438 HE1 TYR 60 2HE TYR 60 0.974 -5.101 -9.367 439 HE2 TYR 60 1HE TYR 60 2.501 -1.476 -7.654 440 HH TYR 60 HH TYR 60 1.674 -1.833 -9.958 441 H ARG 61 H ARG 61 1.828 -5.019 -2.171 442 HA ARG 61 HA ARG 61 4.416 -4.096 -1.836 443 HB2 ARG 61 2HB ARG 61 2.171 -4.533 -0.285 444 HB3 ARG 61 1HB ARG 61 3.375 -5.553 0.500 445 HG2 ARG 61 2HG ARG 61 3.609 -3.431 1.541 446 HG3 ARG 61 1HG ARG 61 4.937 -3.513 0.382 447 HD2 ARG 61 2HD ARG 61 3.214 -2.387 -1.261 448 HD3 ARG 61 1HD ARG 61 2.408 -1.892 0.240 449 HE ARG 61 HE ARG 61 5.285 -1.443 0.319 450 HH11 ARG 61 1HH2 ARG 61 2.218 -0.149 -0.711 451 HH12 ARG 61 2HH2 ARG 61 2.775 1.489 -0.674 452 HH21 ARG 61 1HH1 ARG 61 5.979 0.690 0.358 453 HH22 ARG 61 2HH1 ARG 61 4.886 1.962 -0.074 454 H ASN 62 H ASN 62 3.348 -7.473 -1.307 455 HA ASN 62 HA ASN 62 6.015 -8.378 -0.524 456 HB2 ASN 62 2HB ASN 62 3.411 -9.732 -1.289 457 HB3 ASN 62 1HB ASN 62 4.835 -10.620 -0.746 458 HD21 ASN 62 1HD2 ASN 62 2.185 -8.579 0.307 459 HD22 ASN 62 2HD2 ASN 62 2.545 -8.635 1.964 460 H ALA 63 H ALA 63 3.928 -8.969 -3.387 461 HA ALA 63 HA ALA 63 5.689 -10.448 -4.980 462 HB1 ALA 63 1HB ALA 63 4.400 -9.020 -6.836 463 HB2 ALA 63 2HB ALA 63 3.472 -8.492 -5.433 464 HB3 ALA 63 3HB ALA 63 3.552 -10.205 -5.842 465 H GLN 64 H GLN 64 5.203 -6.928 -5.477 466 HA GLN 64 HA GLN 64 7.406 -6.422 -7.134 467 HB2 GLN 64 2HB GLN 64 5.768 -4.899 -5.160 468 HB3 GLN 64 1HB GLN 64 7.248 -4.127 -5.727 469 HG2 GLN 64 2HG GLN 64 5.085 -5.252 -7.535 470 HG3 GLN 64 1HG GLN 64 5.281 -3.543 -7.142 471 HE21 GLN 64 1HE2 GLN 64 6.558 -6.184 -9.072 472 HE22 GLN 64 2HE2 GLN 64 7.719 -5.266 -9.903 473 H SER 65 H SER 65 7.370 -6.775 -3.614 474 HA SER 65 HA SER 65 10.114 -5.864 -3.221 475 HB2 SER 65 2HB SER 65 8.320 -5.781 -1.506 476 HB3 SER 65 1HB SER 65 8.247 -7.541 -1.508 477 HG SER 65 HG SER 65 9.645 -6.345 0.109 478 H ASN 66 H ASN 66 8.532 -8.955 -3.842 479 HA ASN 66 HA ASN 66 10.995 -10.501 -3.321 480 HB2 ASN 66 2HB ASN 66 8.136 -11.047 -4.093 481 HB3 ASN 66 1HB ASN 66 9.345 -12.323 -4.237 482 HD21 ASN 66 1HD2 ASN 66 8.551 -13.595 -2.449 483 HD22 ASN 66 2HD2 ASN 66 8.639 -13.053 -0.843 484 H THR 67 H THR 67 9.323 -9.044 -6.022 485 HA THR 67 HA THR 67 10.714 -10.662 -8.052 486 HB THR 67 HB THR 67 9.446 -9.127 -9.570 487 HG1 THR 67 1HG THR 67 9.329 -7.253 -8.497 488 HG21 THR 67 3HG2 THR 67 7.156 -9.782 -8.702 489 HG22 THR 67 1HG2 THR 67 7.963 -10.409 -7.265 490 HG23 THR 67 2HG2 THR 67 8.304 -11.112 -8.846 491 H ALA 68 H ALA 68 10.805 -7.295 -6.834 492 HA ALA 68 HA ALA 68 12.753 -6.263 -8.632 493 HB1 ALA 68 1HB ALA 68 13.209 -4.906 -6.324 494 HB2 ALA 68 2HB ALA 68 11.661 -5.658 -5.939 495 HB3 ALA 68 3HB ALA 68 11.808 -4.615 -7.353 496 H LYS 69 H LYS 69 13.154 -8.030 -5.564 497 HA LYS 69 HA LYS 69 15.932 -7.741 -5.163 498 HB2 LYS 69 2HB LYS 69 13.891 -9.890 -4.623 499 HB3 LYS 69 1HB LYS 69 15.580 -10.150 -4.184 500 HG2 LYS 69 2HG LYS 69 15.588 -8.214 -2.753 501 HG3 LYS 69 1HG LYS 69 14.003 -7.706 -3.338 502 HD2 LYS 69 2HD LYS 69 13.002 -9.762 -2.388 503 HD3 LYS 69 1HD LYS 69 14.585 -10.241 -1.777 504 HE2 LYS 69 2HE LYS 69 13.518 -7.524 -1.053 505 HE3 LYS 69 1HE LYS 69 12.930 -8.952 -0.178 506 HZ1 LYS 69 3HZ LYS 69 15.790 -8.280 -0.623 507 HZ2 LYS 69 1HZ LYS 69 15.201 -9.613 0.244 508 HZ3 LYS 69 2HZ LYS 69 14.952 -8.039 0.834 509 H ALA 70 H ALA 70 14.249 -10.306 -7.021 510 HA ALA 70 HA ALA 70 16.721 -11.471 -8.023 511 HB1 ALA 70 1HB ALA 70 13.836 -11.700 -8.951 512 HB2 ALA 70 2HB ALA 70 14.575 -12.685 -7.688 513 HB3 ALA 70 3HB ALA 70 15.140 -12.819 -9.353 514 H PHE 71 H PHE 71 14.464 -9.009 -9.126 515 HA PHE 71 HA PHE 71 15.138 -8.891 -11.887 516 HB2 PHE 71 2HB PHE 71 13.526 -7.543 -10.059 517 HB3 PHE 71 1HB PHE 71 14.665 -6.303 -10.581 518 HD1 PHE 71 2HD PHE 71 15.110 -6.194 -13.179 519 HD2 PHE 71 1HD PHE 71 11.651 -7.991 -11.375 520 HE1 PHE 71 2HE PHE 71 13.873 -5.955 -15.315 521 HE2 PHE 71 1HE PHE 71 10.412 -7.752 -13.511 522 HZ PHE 71 HZ PHE 71 11.524 -6.735 -15.482 523 H LYS 72 H LYS 72 16.427 -6.840 -9.231 524 HA LYS 72 HA LYS 72 18.494 -5.635 -10.816 525 HB2 LYS 72 2HB LYS 72 19.381 -4.996 -8.563 526 HB3 LYS 72 1HB LYS 72 17.654 -4.684 -8.729 527 HG2 LYS 72 2HG LYS 72 17.094 -6.241 -7.165 528 HG3 LYS 72 1HG LYS 72 18.318 -7.380 -7.721 529 HD2 LYS 72 2HD LYS 72 20.037 -6.308 -6.481 530 HD3 LYS 72 1HD LYS 72 19.054 -4.869 -6.215 531 HE2 LYS 72 2HE LYS 72 17.558 -6.090 -4.733 532 HE3 LYS 72 1HE LYS 72 18.390 -7.616 -5.095 533 HZ1 LYS 72 3HZ LYS 72 20.462 -6.589 -4.296 534 HZ2 LYS 72 1HZ LYS 72 19.288 -6.690 -3.076 535 HZ3 LYS 72 2HZ LYS 72 19.591 -5.203 -3.840 536 H ASP 73 H ASP 73 18.291 -8.723 -9.195 537 HA ASP 73 HA ASP 73 21.157 -9.220 -9.050 538 HB2 ASP 73 2HB ASP 73 19.270 -10.237 -7.666 539 HB3 ASP 73 1HB ASP 73 18.871 -11.208 -9.082 540 H ILE 74 H ILE 74 18.557 -10.511 -11.163 541 HA ILE 74 HA ILE 74 20.053 -12.113 -12.897 542 HB ILE 74 HB ILE 74 17.737 -10.235 -13.482 543 HG12 ILE 74 2HG1 ILE 74 17.413 -13.175 -13.121 544 HG13 ILE 74 1HG1 ILE 74 17.766 -12.236 -11.672 545 HG21 ILE 74 1HG2 ILE 74 18.942 -12.530 -15.037 546 HG22 ILE 74 2HG2 ILE 74 18.564 -10.905 -15.607 547 HG23 ILE 74 3HG2 ILE 74 17.262 -12.043 -15.261 548 HD11 ILE 74 3HD1 ILE 74 15.352 -12.204 -13.407 549 HD12 ILE 74 1HD1 ILE 74 15.879 -10.650 -12.762 550 HD13 ILE 74 2HD1 ILE 74 15.488 -11.973 -11.664 551 H ASP 75 H ASP 75 19.557 -8.582 -13.129 552 HA ASP 75 HA ASP 75 20.926 -8.108 -15.576 553 HB2 ASP 75 2HB ASP 75 20.335 -6.581 -13.057 554 HB3 ASP 75 1HB ASP 75 21.383 -5.849 -14.272 555 H ALA 76 H ALA 76 22.128 -8.454 -12.260 556 HA ALA 76 HA ALA 76 24.800 -7.599 -12.574 557 HB1 ALA 76 1HB ALA 76 25.122 -8.714 -10.526 558 HB2 ALA 76 2HB ALA 76 24.003 -10.009 -10.952 559 HB3 ALA 76 3HB ALA 76 23.385 -8.409 -10.539 560 H ALA 77 H ALA 77 23.241 -10.485 -13.797 561 HA ALA 77 HA ALA 77 25.824 -11.832 -14.349 562 HB1 ALA 77 1HB ALA 77 22.964 -12.592 -15.024 563 HB2 ALA 77 2HB ALA 77 23.763 -13.000 -13.506 564 HB3 ALA 77 3HB ALA 77 24.364 -13.665 -15.024 565 H ILE 78 H ILE 78 23.467 -9.814 -15.956 566 HA ILE 78 HA ILE 78 24.117 -10.632 -18.673 567 HB ILE 78 HB ILE 78 22.828 -8.119 -17.556 568 HG12 ILE 78 2HG1 ILE 78 21.545 -10.665 -18.601 569 HG13 ILE 78 1HG1 ILE 78 21.738 -10.288 -16.889 570 HG21 ILE 78 1HG2 ILE 78 21.737 -8.132 -19.851 571 HG22 ILE 78 2HG2 ILE 78 22.912 -9.362 -20.317 572 HG23 ILE 78 3HG2 ILE 78 23.459 -7.753 -19.845 573 HD11 ILE 78 3HD1 ILE 78 19.982 -8.960 -18.932 574 HD12 ILE 78 1HD1 ILE 78 20.548 -8.036 -17.540 575 HD13 ILE 78 2HD1 ILE 78 19.582 -9.492 -17.299 576 H ILE 79 H ILE 79 25.813 -8.791 -16.357 577 HA ILE 79 HA ILE 79 27.282 -7.283 -18.488 578 HB ILE 79 HB ILE 79 27.058 -6.864 -15.487 579 HG12 ILE 79 2HG1 ILE 79 25.837 -5.319 -17.801 580 HG13 ILE 79 1HG1 ILE 79 24.957 -6.450 -16.774 581 HG21 ILE 79 1HG2 ILE 79 28.394 -4.966 -15.726 582 HG22 ILE 79 2HG2 ILE 79 28.065 -4.827 -17.453 583 HG23 ILE 79 3HG2 ILE 79 29.166 -6.072 -16.862 584 HD11 ILE 79 3HD1 ILE 79 25.801 -5.004 -14.798 585 HD12 ILE 79 1HD1 ILE 79 24.511 -4.341 -15.802 586 HD13 ILE 79 2HD1 ILE 79 26.173 -3.792 -16.023 587 H GLN 80 H GLN 80 27.662 -9.370 -15.633 588 HA GLN 80 HA GLN 80 30.589 -9.573 -16.046 589 HB2 GLN 80 2HB GLN 80 28.638 -10.816 -14.076 590 HB3 GLN 80 1HB GLN 80 30.393 -10.974 -13.983 591 HG2 GLN 80 2HG GLN 80 30.650 -8.576 -13.707 592 HG3 GLN 80 1HG GLN 80 28.925 -8.322 -13.971 593 HE21 GLN 80 1HE2 GLN 80 27.540 -9.844 -12.354 594 HE22 GLN 80 2HE2 GLN 80 28.059 -9.796 -10.739 595 H ASN 81 H ASN 81 27.639 -11.437 -16.515 596 HA ASN 81 HA ASN 81 29.234 -13.699 -17.674 597 HB2 ASN 81 2HB ASN 81 26.761 -13.414 -16.054 598 HB3 ASN 81 1HB ASN 81 26.699 -14.643 -17.318 599 HD21 ASN 81 1HD2 ASN 81 27.910 -16.572 -16.997 600 HD22 ASN 81 2HD2 ASN 81 28.869 -16.858 -15.626 601 H PHE 82 H PHE 82 27.359 -11.039 -18.541 602 HA PHE 82 HA PHE 82 26.358 -10.348 -20.517 603 HB2 PHE 82 2HB PHE 82 27.484 -11.000 -22.394 604 HB3 PHE 82 1HB PHE 82 28.543 -11.765 -21.225 605 HD1 PHE 82 2HD PHE 82 25.406 -12.518 -23.176 606 HD2 PHE 82 1HD PHE 82 29.099 -14.006 -21.559 607 HE1 PHE 82 2HE PHE 82 25.003 -14.707 -24.266 608 HE2 PHE 82 1HE PHE 82 28.698 -16.190 -22.660 609 HZ PHE 82 HZ PHE 82 26.649 -16.542 -24.009 610 H ARG 83 H ARG 83 25.624 -13.473 -19.211 611 HA ARG 83 HA ARG 83 23.735 -14.856 -19.387 612 HB2 ARG 83 2HB ARG 83 22.828 -11.986 -19.412 613 HB3 ARG 83 1HB ARG 83 21.667 -13.311 -19.321 614 HG2 ARG 83 2HG ARG 83 24.021 -13.117 -17.443 615 HG3 ARG 83 1HG ARG 83 22.475 -12.346 -17.084 616 HD2 ARG 83 2HD ARG 83 22.847 -15.308 -17.667 617 HD3 ARG 83 1HD ARG 83 22.595 -14.602 -16.058 618 HE ARG 83 HE ARG 83 20.511 -13.557 -17.538 619 HH11 ARG 83 1HH2 ARG 83 21.703 -16.777 -16.950 620 HH12 ARG 83 2HH2 ARG 83 20.143 -17.504 -17.121 621 HH21 ARG 83 1HH1 ARG 83 18.499 -14.525 -17.754 622 HH22 ARG 83 2HH1 ARG 83 18.342 -16.240 -17.572 Start of MODEL 21 1 H1 GLY 1 1HT GLY 1 16.965 -3.739 -28.447 2 H2 GLY 1 2HT GLY 1 17.908 -5.081 -28.889 3 H3 GLY 1 3HT GLY 1 18.479 -3.507 -29.177 4 HA2 GLY 1 2HA GLY 1 19.504 -4.655 -27.223 5 HA3 GLY 1 1HA GLY 1 18.787 -3.079 -26.890 6 H SER 2 H SER 2 17.396 -3.012 -25.199 7 HA SER 2 HA SER 2 15.862 -5.485 -24.497 8 HB2 SER 2 2HB SER 2 18.049 -5.066 -23.192 9 HB3 SER 2 1HB SER 2 17.216 -3.689 -22.475 10 HG SER 2 HG SER 2 17.055 -5.746 -21.316 11 H HIS 3 H HIS 3 13.856 -5.037 -23.415 12 HA HIS 3 HA HIS 3 12.758 -2.350 -23.967 13 HB2 HIS 3 2HB HIS 3 11.778 -5.094 -23.303 14 HB3 HIS 3 1HB HIS 3 10.718 -3.737 -22.920 15 HD1 HIS 3 1HD HIS 3 10.780 -1.888 -25.141 16 HD2 HIS 3 2HD HIS 3 11.219 -5.972 -25.850 17 HE1 HIS 3 1HE HIS 3 10.194 -2.259 -27.577 18 H MET 4 H MET 4 13.146 -0.826 -22.395 19 HA MET 4 HA MET 4 13.314 0.175 -20.262 20 HB2 MET 4 2HB MET 4 11.294 -2.035 -19.757 21 HB3 MET 4 1HB MET 4 11.547 -0.645 -18.701 22 HG2 MET 4 2HG MET 4 11.029 -0.139 -21.604 23 HG3 MET 4 1HG MET 4 9.669 -0.604 -20.583 24 HE1 MET 4 3HE MET 4 8.555 2.366 -18.948 25 HE2 MET 4 1HE MET 4 9.046 0.827 -18.224 26 HE3 MET 4 2HE MET 4 8.270 0.853 -19.806 27 H ALA 5 H ALA 5 15.580 -0.841 -20.238 28 HA ALA 5 HA ALA 5 16.006 -2.192 -17.690 29 HB1 ALA 5 1HB ALA 5 16.521 -4.333 -18.465 30 HB2 ALA 5 2HB ALA 5 16.902 -3.761 -20.089 31 HB3 ALA 5 3HB ALA 5 15.221 -3.887 -19.569 32 H THR 6 H THR 6 17.639 -0.735 -17.162 33 HA THR 6 HA THR 6 19.840 -0.300 -19.139 34 HB THR 6 HB THR 6 20.321 1.603 -17.456 35 HG1 THR 6 1HG THR 6 18.558 2.100 -16.132 36 HG21 THR 6 3HG2 THR 6 17.669 1.549 -18.923 37 HG22 THR 6 1HG2 THR 6 19.228 1.954 -19.640 38 HG23 THR 6 2HG2 THR 6 18.527 3.000 -18.406 39 HA PRO 7 HA PRO 7 22.514 -2.767 -16.634 40 HB2 PRO 7 2HB PRO 7 24.928 -1.587 -17.241 41 HB3 PRO 7 1HB PRO 7 24.088 -2.719 -18.314 42 HG2 PRO 7 2HG PRO 7 24.235 0.242 -18.431 43 HG3 PRO 7 1HG PRO 7 24.194 -0.942 -19.745 44 HD2 PRO 7 2HD PRO 7 22.040 0.548 -18.985 45 HD3 PRO 7 1HD PRO 7 21.913 -1.048 -19.752 46 H TRP 8 H TRP 8 24.115 -2.512 -14.814 47 HA TRP 8 HA TRP 8 24.311 -1.689 -12.590 48 HB2 TRP 8 2HB TRP 8 25.507 0.713 -12.918 49 HB3 TRP 8 1HB TRP 8 26.323 -0.816 -13.210 50 HD1 TRP 8 HD TRP 8 24.434 1.946 -15.132 51 HE1 TRP 8 1HE TRP 8 25.332 2.000 -17.547 52 HE3 TRP 8 3HE TRP 8 27.611 -2.048 -14.982 53 HZ2 TRP 8 2HZ TRP 8 27.160 0.544 -19.195 54 HZ3 TRP 8 3HZ TRP 8 28.923 -2.687 -16.985 55 HH2 TRP 8 HH TRP 8 28.701 -1.398 -19.090 56 H SER 9 H SER 9 21.631 -1.170 -13.475 57 HA SER 9 HA SER 9 21.120 1.348 -11.945 58 HB2 SER 9 2HB SER 9 20.388 0.580 -14.728 59 HB3 SER 9 1HB SER 9 19.157 1.430 -13.797 60 HG SER 9 HG SER 9 21.796 2.248 -14.427 61 H GLY 10 H GLY 10 18.723 -0.655 -13.623 62 HA2 GLY 10 2HA GLY 10 17.035 -2.056 -12.801 63 HA3 GLY 10 1HA GLY 10 18.038 -2.310 -11.372 64 H TYR 11 H TYR 11 18.077 -0.437 -9.815 65 HA TYR 11 HA TYR 11 15.317 0.429 -9.278 66 HB2 TYR 11 2HB TYR 11 17.925 0.215 -7.889 67 HB3 TYR 11 1HB TYR 11 16.883 1.524 -7.331 68 HD1 TYR 11 2HD TYR 11 16.883 -2.138 -8.087 69 HD2 TYR 11 1HD TYR 11 15.070 1.081 -5.895 70 HE1 TYR 11 2HE TYR 11 15.501 -3.771 -6.830 71 HE2 TYR 11 1HE TYR 11 13.689 -0.552 -4.639 72 HH TYR 11 HH TYR 11 13.701 -2.890 -4.039 73 H LEU 12 H LEU 12 18.095 1.762 -10.826 74 HA LEU 12 HA LEU 12 17.849 4.534 -10.218 75 HB2 LEU 12 2HB LEU 12 18.984 2.804 -12.357 76 HB3 LEU 12 1HB LEU 12 18.755 4.504 -12.771 77 HG LEU 12 HG LEU 12 19.979 5.107 -10.654 78 HD11 LEU 12 1HD1 LEU 12 19.985 3.336 -9.193 79 HD12 LEU 12 2HD1 LEU 12 21.501 2.971 -10.017 80 HD13 LEU 12 3HD1 LEU 12 20.020 2.136 -10.484 81 HD21 LEU 12 3HD2 LEU 12 22.017 5.034 -11.739 82 HD22 LEU 12 1HD2 LEU 12 20.971 4.612 -13.094 83 HD23 LEU 12 2HD2 LEU 12 21.823 3.347 -12.211 84 H ASP 13 H ASP 13 15.893 2.440 -12.231 85 HA ASP 13 HA ASP 13 13.855 4.485 -12.579 86 HB2 ASP 13 2HB ASP 13 15.789 5.035 -14.198 87 HB3 ASP 13 1HB ASP 13 15.295 3.592 -15.085 88 H ASP 14 H ASP 14 15.212 1.415 -13.775 89 HA ASP 14 HA ASP 14 12.920 0.272 -14.958 90 HB2 ASP 14 2HB ASP 14 15.478 -0.579 -13.802 91 HB3 ASP 14 1HB ASP 14 14.233 -1.825 -13.734 92 H VAL 15 H VAL 15 14.020 -0.980 -11.880 93 HA VAL 15 HA VAL 15 11.578 -2.038 -11.007 94 HB VAL 15 HB VAL 15 13.832 -0.818 -9.393 95 HG11 VAL 15 1HG1 VAL 15 13.079 -2.856 -7.917 96 HG12 VAL 15 2HG1 VAL 15 11.556 -2.660 -8.788 97 HG13 VAL 15 3HG1 VAL 15 12.203 -1.327 -7.829 98 HG21 VAL 15 3HG2 VAL 15 13.531 -3.333 -10.982 99 HG22 VAL 15 1HG2 VAL 15 14.430 -3.417 -9.467 100 HG23 VAL 15 2HG2 VAL 15 14.955 -2.324 -10.746 101 H SER 16 H SER 16 12.918 1.201 -10.440 102 HA SER 16 HA SER 16 11.045 2.226 -8.613 103 HB2 SER 16 2HB SER 16 12.980 3.460 -9.158 104 HB3 SER 16 1HB SER 16 12.670 3.345 -10.888 105 HG SER 16 HG SER 16 11.907 5.304 -10.488 106 H ALA 17 H ALA 17 10.743 1.808 -12.133 107 HA ALA 17 HA ALA 17 8.301 3.337 -12.434 108 HB1 ALA 17 1HB ALA 17 10.054 1.560 -13.978 109 HB2 ALA 17 2HB ALA 17 9.130 2.961 -14.519 110 HB3 ALA 17 3HB ALA 17 8.354 1.381 -14.416 111 H LYS 18 H LYS 18 9.049 -0.033 -11.686 112 HA LYS 18 HA LYS 18 6.216 -0.855 -11.680 113 HB2 LYS 18 2HB LYS 18 8.795 -2.229 -10.843 114 HB3 LYS 18 1HB LYS 18 7.232 -3.026 -11.018 115 HG2 LYS 18 2HG LYS 18 7.402 -1.822 -13.437 116 HG3 LYS 18 1HG LYS 18 9.116 -2.081 -13.107 117 HD2 LYS 18 2HD LYS 18 8.926 -4.372 -13.178 118 HD3 LYS 18 1HD LYS 18 7.277 -4.358 -12.552 119 HE2 LYS 18 2HE LYS 18 7.857 -3.247 -15.297 120 HE3 LYS 18 1HE LYS 18 7.619 -4.989 -15.061 121 HZ1 LYS 18 3HZ LYS 18 5.762 -2.801 -14.299 122 HZ2 LYS 18 1HZ LYS 18 5.578 -4.405 -13.778 123 HZ3 LYS 18 2HZ LYS 18 5.486 -4.035 -15.434 124 H PHE 19 H PHE 19 8.648 0.288 -9.444 125 HA PHE 19 HA PHE 19 7.153 -0.562 -7.046 126 HB2 PHE 19 2HB PHE 19 9.794 0.575 -7.784 127 HB3 PHE 19 1HB PHE 19 9.171 1.072 -6.211 128 HD1 PHE 19 1HD PHE 19 9.144 -2.093 -8.233 129 HD2 PHE 19 2HD PHE 19 9.959 -0.227 -4.453 130 HE1 PHE 19 1HE PHE 19 9.777 -4.292 -7.286 131 HE2 PHE 19 2HE PHE 19 10.595 -2.427 -3.503 132 HZ PHE 19 HZ PHE 19 10.504 -4.461 -4.919 133 H ASP 20 H ASP 20 8.547 2.616 -7.924 134 HA ASP 20 HA ASP 20 6.781 4.170 -6.347 135 HB2 ASP 20 2HB ASP 20 8.827 4.524 -8.365 136 HB3 ASP 20 1HB ASP 20 7.521 5.676 -8.635 137 H THR 21 H THR 21 6.620 4.457 -9.898 138 HA THR 21 HA THR 21 3.946 5.304 -10.055 139 HB THR 21 HB THR 21 5.272 3.503 -12.085 140 HG1 THR 21 1HG THR 21 5.841 6.209 -11.463 141 HG21 THR 21 3HG2 THR 21 4.271 5.342 -13.586 142 HG22 THR 21 1HG2 THR 21 3.372 5.845 -12.154 143 HG23 THR 21 2HG2 THR 21 3.140 4.228 -12.817 144 H GLY 22 H GLY 22 5.155 1.945 -10.406 145 HA2 GLY 22 2HA GLY 22 2.702 0.646 -10.840 146 HA3 GLY 22 1HA GLY 22 4.076 -0.103 -10.032 147 H VAL 23 H VAL 23 4.305 0.489 -7.658 148 HA VAL 23 HA VAL 23 1.970 -0.275 -6.241 149 HB VAL 23 HB VAL 23 4.431 1.210 -5.287 150 HG11 VAL 23 1HG1 VAL 23 2.765 -0.742 -3.713 151 HG12 VAL 23 2HG1 VAL 23 2.358 0.974 -3.750 152 HG13 VAL 23 3HG1 VAL 23 3.918 0.452 -3.116 153 HG21 VAL 23 3HG2 VAL 23 5.593 -0.748 -5.437 154 HG22 VAL 23 1HG2 VAL 23 4.352 -1.206 -6.602 155 HG23 VAL 23 2HG2 VAL 23 4.211 -1.713 -4.920 156 H ASP 24 H ASP 24 3.359 3.010 -6.700 157 HA ASP 24 HA ASP 24 1.522 4.436 -5.054 158 HB2 ASP 24 2HB ASP 24 3.617 5.287 -6.183 159 HB3 ASP 24 1HB ASP 24 2.722 5.310 -7.703 160 H ASN 25 H ASN 25 1.277 3.295 -8.401 161 HA ASN 25 HA ASN 25 -1.223 4.571 -9.048 162 HB2 ASN 25 2HB ASN 25 0.381 3.602 -10.679 163 HB3 ASN 25 1HB ASN 25 0.045 1.991 -10.044 164 HD21 ASN 25 1HD2 ASN 25 -0.939 4.268 -12.389 165 HD22 ASN 25 2HD2 ASN 25 -2.424 3.558 -12.801 166 H LEU 26 H LEU 26 -0.382 1.361 -7.719 167 HA LEU 26 HA LEU 26 -3.093 0.378 -7.544 168 HB2 LEU 26 2HB LEU 26 -0.434 -0.470 -6.969 169 HB3 LEU 26 1HB LEU 26 -1.360 -0.668 -5.485 170 HG LEU 26 HG LEU 26 -2.228 -1.701 -8.188 171 HD11 LEU 26 1HD1 LEU 26 -0.543 -3.185 -7.741 172 HD12 LEU 26 2HD1 LEU 26 -1.795 -3.919 -6.741 173 HD13 LEU 26 3HD1 LEU 26 -0.585 -2.867 -6.009 174 HD21 LEU 26 3HD2 LEU 26 -3.577 -1.344 -5.660 175 HD22 LEU 26 1HD2 LEU 26 -3.488 -3.060 -6.060 176 HD23 LEU 26 2HD2 LEU 26 -4.231 -1.929 -7.190 177 H GLN 27 H GLN 27 -1.109 2.416 -5.468 178 HA GLN 27 HA GLN 27 -2.831 2.206 -3.123 179 HB2 GLN 27 2HB GLN 27 -0.272 2.930 -3.586 180 HB3 GLN 27 1HB GLN 27 -1.018 4.528 -3.559 181 HG2 GLN 27 2HG GLN 27 -2.060 3.975 -1.367 182 HG3 GLN 27 1HG GLN 27 -1.221 2.424 -1.385 183 HE21 GLN 27 1HE2 GLN 27 1.310 3.223 -2.397 184 HE22 GLN 27 2HE2 GLN 27 2.044 4.267 -1.278 185 H THR 28 H THR 28 -2.517 4.469 -5.853 186 HA THR 28 HA THR 28 -4.473 6.334 -4.706 187 HB THR 28 HB THR 28 -2.405 6.740 -6.273 188 HG1 THR 28 1HG THR 28 -3.686 8.421 -5.688 189 HG21 THR 28 3HG2 THR 28 -2.671 6.505 -8.565 190 HG22 THR 28 1HG2 THR 28 -4.431 6.588 -8.473 191 HG23 THR 28 2HG2 THR 28 -3.593 5.111 -8.004 192 H GLN 29 H GLN 29 -4.489 3.622 -6.951 193 HA GLN 29 HA GLN 29 -6.959 4.126 -8.280 194 HB2 GLN 29 2HB GLN 29 -4.998 2.086 -8.089 195 HB3 GLN 29 1HB GLN 29 -6.542 1.319 -7.739 196 HG2 GLN 29 2HG GLN 29 -5.851 2.959 -10.192 197 HG3 GLN 29 1HG GLN 29 -6.167 1.227 -10.137 198 HE21 GLN 29 1HE2 GLN 29 -8.467 1.592 -8.190 199 HE22 GLN 29 2HE2 GLN 29 -9.734 2.227 -9.120 200 H VAL 30 H VAL 30 -6.318 2.228 -5.286 201 HA VAL 30 HA VAL 30 -9.065 1.591 -4.785 202 HB VAL 30 HB VAL 30 -8.101 1.702 -2.271 203 HG11 VAL 30 1HG1 VAL 30 -6.905 -0.584 -3.583 204 HG12 VAL 30 2HG1 VAL 30 -8.505 -0.250 -4.246 205 HG13 VAL 30 3HG1 VAL 30 -8.306 -0.513 -2.515 206 HG21 VAL 30 3HG2 VAL 30 -5.800 1.553 -2.069 207 HG22 VAL 30 1HG2 VAL 30 -5.932 2.714 -3.389 208 HG23 VAL 30 2HG2 VAL 30 -5.583 1.021 -3.736 209 H THR 31 H THR 31 -7.178 4.499 -4.224 210 HA THR 31 HA THR 31 -8.942 5.823 -2.392 211 HB THR 31 HB THR 31 -7.438 7.175 -4.638 212 HG1 THR 31 1HG THR 31 -5.613 6.998 -3.185 213 HG21 THR 31 3HG2 THR 31 -8.886 8.302 -2.762 214 HG22 THR 31 1HG2 THR 31 -7.307 8.977 -3.163 215 HG23 THR 31 2HG2 THR 31 -7.492 7.952 -1.740 216 H GLU 32 H GLU 32 -8.797 5.771 -5.973 217 HA GLU 32 HA GLU 32 -11.198 7.325 -6.403 218 HB2 GLU 32 2HB GLU 32 -9.837 5.161 -8.062 219 HB3 GLU 32 1HB GLU 32 -11.023 6.314 -8.674 220 HG2 GLU 32 2HG GLU 32 -8.384 7.096 -7.409 221 HG3 GLU 32 1HG GLU 32 -8.662 6.990 -9.148 222 H ALA 33 H ALA 33 -10.423 3.887 -6.062 223 HA ALA 33 HA ALA 33 -13.013 2.760 -6.470 224 HB1 ALA 33 1HB ALA 33 -10.636 1.706 -6.161 225 HB2 ALA 33 2HB ALA 33 -12.010 0.831 -5.486 226 HB3 ALA 33 3HB ALA 33 -10.982 1.802 -4.437 227 H LEU 34 H LEU 34 -11.571 4.532 -3.818 228 HA LEU 34 HA LEU 34 -13.545 3.813 -1.792 229 HB2 LEU 34 2HB LEU 34 -11.040 4.906 -1.823 230 HB3 LEU 34 1HB LEU 34 -12.016 6.364 -1.639 231 HG LEU 34 HG LEU 34 -12.766 4.051 0.074 232 HD11 LEU 34 1HD1 LEU 34 -10.882 5.234 1.657 233 HD12 LEU 34 2HD1 LEU 34 -10.083 5.301 0.087 234 HD13 LEU 34 3HD1 LEU 34 -10.607 3.751 0.744 235 HD21 LEU 34 3HD2 LEU 34 -13.226 5.831 1.662 236 HD22 LEU 34 1HD2 LEU 34 -13.881 6.304 0.095 237 HD23 LEU 34 2HD2 LEU 34 -12.362 6.999 0.662 238 H ASP 35 H ASP 35 -12.900 6.692 -3.803 239 HA ASP 35 HA ASP 35 -15.267 8.145 -3.064 240 HB2 ASP 35 2HB ASP 35 -13.541 8.162 -5.566 241 HB3 ASP 35 1HB ASP 35 -14.702 9.420 -5.140 242 H LYS 36 H LYS 36 -14.635 5.519 -5.302 243 HA LYS 36 HA LYS 36 -17.068 5.827 -6.873 244 HB2 LYS 36 2HB LYS 36 -14.678 4.236 -6.825 245 HB3 LYS 36 1HB LYS 36 -16.057 3.142 -6.874 246 HG2 LYS 36 2HG LYS 36 -16.171 3.544 -9.094 247 HG3 LYS 36 1HG LYS 36 -16.713 5.170 -8.700 248 HD2 LYS 36 2HD LYS 36 -13.824 4.310 -9.027 249 HD3 LYS 36 1HD LYS 36 -14.764 5.207 -10.220 250 HE2 LYS 36 2HE LYS 36 -14.891 6.449 -7.576 251 HE3 LYS 36 1HE LYS 36 -13.233 6.340 -8.199 252 HZ1 LYS 36 3HZ LYS 36 -15.534 7.272 -9.825 253 HZ2 LYS 36 1HZ LYS 36 -13.889 7.344 -10.235 254 HZ3 LYS 36 2HZ LYS 36 -14.498 8.329 -8.991 255 H LEU 37 H LEU 37 -16.106 3.158 -4.646 256 HA LEU 37 HA LEU 37 -18.714 2.127 -4.282 257 HB2 LEU 37 2HB LEU 37 -17.555 0.665 -2.983 258 HB3 LEU 37 1HB LEU 37 -16.126 1.590 -3.419 259 HG LEU 37 HG LEU 37 -16.726 3.084 -1.378 260 HD11 LEU 37 1HD1 LEU 37 -18.797 2.475 -0.580 261 HD12 LEU 37 2HD1 LEU 37 -17.845 1.299 0.325 262 HD13 LEU 37 3HD1 LEU 37 -18.649 0.819 -1.169 263 HD21 LEU 37 3HD2 LEU 37 -15.716 0.235 -1.243 264 HD22 LEU 37 1HD2 LEU 37 -15.697 1.291 0.169 265 HD23 LEU 37 2HD2 LEU 37 -14.772 1.725 -1.269 266 H ALA 38 H ALA 38 -17.178 4.952 -2.913 267 HA ALA 38 HA ALA 38 -19.241 5.397 -0.860 268 HB1 ALA 38 1HB ALA 38 -17.014 7.114 -2.024 269 HB2 ALA 38 2HB ALA 38 -16.894 6.119 -0.573 270 HB3 ALA 38 3HB ALA 38 -17.958 7.526 -0.593 271 H ALA 39 H ALA 39 -18.451 6.403 -4.151 272 HA ALA 39 HA ALA 39 -20.304 8.562 -4.484 273 HB1 ALA 39 1HB ALA 39 -20.130 7.263 -6.931 274 HB2 ALA 39 2HB ALA 39 -18.678 6.705 -6.109 275 HB3 ALA 39 3HB ALA 39 -18.950 8.428 -6.335 276 H LYS 40 H LYS 40 -20.559 5.124 -5.316 277 HA LYS 40 HA LYS 40 -23.487 5.311 -5.699 278 HB2 LYS 40 2HB LYS 40 -21.237 3.738 -6.581 279 HB3 LYS 40 1HB LYS 40 -22.438 2.657 -5.892 280 HG2 LYS 40 2HG LYS 40 -22.819 2.981 -8.301 281 HG3 LYS 40 1HG LYS 40 -24.156 3.649 -7.365 282 HD2 LYS 40 2HD LYS 40 -23.222 5.903 -7.581 283 HD3 LYS 40 1HD LYS 40 -21.820 5.260 -8.436 284 HE2 LYS 40 2HE LYS 40 -23.255 4.484 -10.273 285 HE3 LYS 40 1HE LYS 40 -24.694 5.056 -9.407 286 HZ1 LYS 40 3HZ LYS 40 -23.632 7.277 -9.318 287 HZ2 LYS 40 1HZ LYS 40 -23.999 6.776 -10.896 288 HZ3 LYS 40 2HZ LYS 40 -22.398 6.698 -10.332 289 HA PRO 41 HA PRO 41 -24.409 3.992 -1.561 290 HB2 PRO 41 2HB PRO 41 -26.525 2.260 -2.706 291 HB3 PRO 41 1HB PRO 41 -26.674 3.604 -1.559 292 HG2 PRO 41 2HG PRO 41 -27.462 3.794 -4.122 293 HG3 PRO 41 1HG PRO 41 -26.834 5.171 -3.206 294 HD2 PRO 41 2HD PRO 41 -25.529 3.571 -5.338 295 HD3 PRO 41 1HD PRO 41 -25.324 5.285 -4.915 296 H SER 42 H SER 42 -25.327 1.462 -0.753 297 HA SER 42 HA SER 42 -23.023 -0.175 -0.735 298 HB2 SER 42 2HB SER 42 -25.133 -0.279 0.692 299 HB3 SER 42 1HB SER 42 -25.905 -1.121 -0.649 300 HG SER 42 HG SER 42 -23.674 -1.914 0.906 301 H ASP 43 H ASP 43 -22.151 -0.381 -2.875 302 HA ASP 43 HA ASP 43 -23.864 -1.831 -4.852 303 HB2 ASP 43 2HB ASP 43 -21.700 0.224 -4.953 304 HB3 ASP 43 1HB ASP 43 -21.843 -0.883 -6.319 305 HA PRO 44 HA PRO 44 -21.141 -5.313 -4.667 306 HB2 PRO 44 2HB PRO 44 -21.547 -6.288 -7.201 307 HB3 PRO 44 1HB PRO 44 -22.738 -6.456 -5.900 308 HG2 PRO 44 2HG PRO 44 -22.702 -4.633 -8.214 309 HG3 PRO 44 1HG PRO 44 -24.077 -5.353 -7.366 310 HD2 PRO 44 2HD PRO 44 -23.216 -2.742 -7.084 311 HD3 PRO 44 1HD PRO 44 -24.236 -3.618 -5.924 312 H ALA 45 H ALA 45 -21.112 -3.480 -7.658 313 HA ALA 45 HA ALA 45 -18.600 -4.387 -8.655 314 HB1 ALA 45 1HB ALA 45 -20.373 -3.507 -10.002 315 HB2 ALA 45 2HB ALA 45 -18.998 -2.412 -10.159 316 HB3 ALA 45 3HB ALA 45 -20.356 -1.982 -9.118 317 H LEU 46 H LEU 46 -19.290 -1.018 -7.593 318 HA LEU 46 HA LEU 46 -16.623 -0.169 -7.455 319 HB2 LEU 46 2HB LEU 46 -19.027 0.612 -5.787 320 HB3 LEU 46 1HB LEU 46 -17.540 1.550 -5.878 321 HG LEU 46 HG LEU 46 -19.515 0.980 -8.100 322 HD11 LEU 46 1HD1 LEU 46 -19.458 3.001 -6.336 323 HD12 LEU 46 2HD1 LEU 46 -19.972 3.227 -8.007 324 HD13 LEU 46 3HD1 LEU 46 -18.331 3.651 -7.526 325 HD21 LEU 46 3HD2 LEU 46 -17.506 0.696 -9.281 326 HD22 LEU 46 1HD2 LEU 46 -16.624 1.812 -8.239 327 HD23 LEU 46 2HD2 LEU 46 -17.771 2.433 -9.426 328 H LEU 47 H LEU 47 -18.528 -1.472 -4.679 329 HA LEU 47 HA LEU 47 -16.443 -1.375 -2.747 330 HB2 LEU 47 2HB LEU 47 -18.948 -1.978 -2.558 331 HB3 LEU 47 1HB LEU 47 -18.466 -3.608 -3.030 332 HG LEU 47 HG LEU 47 -16.733 -3.440 -1.121 333 HD11 LEU 47 1HD1 LEU 47 -16.916 -1.744 0.434 334 HD12 LEU 47 2HD1 LEU 47 -18.639 -1.513 0.133 335 HD13 LEU 47 3HD1 LEU 47 -17.451 -0.861 -0.997 336 HD21 LEU 47 3HD2 LEU 47 -18.693 -4.894 -0.997 337 HD22 LEU 47 1HD2 LEU 47 -19.715 -3.525 -0.561 338 HD23 LEU 47 2HD2 LEU 47 -18.474 -4.087 0.557 339 H ALA 48 H ALA 48 -17.366 -3.988 -4.985 340 HA ALA 48 HA ALA 48 -15.248 -5.830 -4.415 341 HB1 ALA 48 1HB ALA 48 -16.835 -5.166 -6.916 342 HB2 ALA 48 2HB ALA 48 -17.226 -6.403 -5.721 343 HB3 ALA 48 3HB ALA 48 -15.812 -6.595 -6.759 344 H ALA 49 H ALA 49 -15.475 -2.938 -6.362 345 HA ALA 49 HA ALA 49 -13.133 -3.229 -7.968 346 HB1 ALA 49 1HB ALA 49 -14.081 -0.569 -6.982 347 HB2 ALA 49 2HB ALA 49 -15.247 -1.577 -7.836 348 HB3 ALA 49 3HB ALA 49 -13.750 -1.095 -8.633 349 H TYR 50 H TYR 50 -13.598 -1.218 -5.004 350 HA TYR 50 HA TYR 50 -10.869 -0.566 -4.590 351 HB2 TYR 50 2HB TYR 50 -12.925 0.384 -3.482 352 HB3 TYR 50 1HB TYR 50 -13.005 -1.078 -2.503 353 HD1 TYR 50 1HD TYR 50 -10.728 -1.712 -1.261 354 HD2 TYR 50 2HD TYR 50 -11.768 2.199 -2.669 355 HE1 TYR 50 1HE TYR 50 -9.103 -0.709 0.308 356 HE2 TYR 50 2HE TYR 50 -10.145 3.207 -1.112 357 HH TYR 50 HH TYR 50 -7.759 1.925 0.141 358 H GLN 51 H GLN 51 -12.755 -3.421 -3.534 359 HA GLN 51 HA GLN 51 -10.642 -4.546 -1.901 360 HB2 GLN 51 2HB GLN 51 -13.052 -5.697 -3.344 361 HB3 GLN 51 1HB GLN 51 -12.052 -6.628 -2.228 362 HG2 GLN 51 2HG GLN 51 -12.499 -4.561 -0.628 363 HG3 GLN 51 1HG GLN 51 -13.917 -4.357 -1.656 364 HE21 GLN 51 1HE2 GLN 51 -15.631 -5.897 -1.458 365 HE22 GLN 51 2HE2 GLN 51 -15.611 -7.160 -0.324 366 H SER 52 H SER 52 -11.732 -5.106 -5.261 367 HA SER 52 HA SER 52 -9.960 -7.080 -6.126 368 HB2 SER 52 2HB SER 52 -11.836 -5.949 -7.383 369 HB3 SER 52 1HB SER 52 -10.785 -4.553 -7.610 370 HG SER 52 HG SER 52 -10.554 -5.842 -9.396 371 H LYS 53 H LYS 53 -9.410 -3.554 -6.003 372 HA LYS 53 HA LYS 53 -6.650 -3.724 -6.918 373 HB2 LYS 53 2HB LYS 53 -8.651 -1.751 -6.271 374 HB3 LYS 53 1HB LYS 53 -7.174 -1.357 -5.396 375 HG2 LYS 53 2HG LYS 53 -6.287 -0.534 -7.285 376 HG3 LYS 53 1HG LYS 53 -6.390 -2.132 -8.018 377 HD2 LYS 53 2HD LYS 53 -8.926 -0.583 -7.884 378 HD3 LYS 53 1HD LYS 53 -7.701 0.005 -9.010 379 HE2 LYS 53 2HE LYS 53 -7.703 -1.995 -10.262 380 HE3 LYS 53 1HE LYS 53 -8.453 -2.919 -8.946 381 HZ1 LYS 53 3HZ LYS 53 -10.467 -1.710 -9.191 382 HZ2 LYS 53 1HZ LYS 53 -10.027 -2.234 -10.744 383 HZ3 LYS 53 2HZ LYS 53 -9.765 -0.618 -10.288 384 H LEU 54 H LEU 54 -8.321 -3.797 -3.828 385 HA LEU 54 HA LEU 54 -6.111 -3.338 -2.071 386 HB2 LEU 54 2HB LEU 54 -8.713 -3.528 -1.739 387 HB3 LEU 54 1HB LEU 54 -8.375 -5.236 -1.486 388 HG LEU 54 HG LEU 54 -6.599 -4.463 0.200 389 HD11 LEU 54 1HD1 LEU 54 -7.838 -1.912 -0.632 390 HD12 LEU 54 2HD1 LEU 54 -6.254 -2.215 0.083 391 HD13 LEU 54 3HD1 LEU 54 -7.683 -2.120 1.113 392 HD21 LEU 54 3HD2 LEU 54 -8.161 -4.717 1.888 393 HD22 LEU 54 1HD2 LEU 54 -9.136 -5.255 0.521 394 HD23 LEU 54 2HD2 LEU 54 -9.309 -3.611 1.134 395 H SER 55 H SER 55 -7.669 -6.494 -2.711 396 HA SER 55 HA SER 55 -5.726 -8.194 -1.664 397 HB2 SER 55 2HB SER 55 -7.570 -8.431 -4.050 398 HB3 SER 55 1HB SER 55 -6.629 -9.796 -3.456 399 HG SER 55 HG SER 55 -8.521 -8.242 -2.011 400 H GLU 56 H GLU 56 -5.751 -6.656 -4.866 401 HA GLU 56 HA GLU 56 -3.379 -8.042 -5.845 402 HB2 GLU 56 2HB GLU 56 -5.284 -6.944 -7.165 403 HB3 GLU 56 1HB GLU 56 -4.551 -5.395 -6.747 404 HG2 GLU 56 2HG GLU 56 -3.520 -5.821 -8.784 405 HG3 GLU 56 1HG GLU 56 -2.355 -6.538 -7.670 406 H TYR 57 H TYR 57 -4.073 -5.015 -4.177 407 HA TYR 57 HA TYR 57 -1.437 -3.855 -4.500 408 HB2 TYR 57 2HB TYR 57 -3.517 -2.587 -4.107 409 HB3 TYR 57 1HB TYR 57 -3.682 -3.346 -2.528 410 HD1 TYR 57 2HD TYR 57 -0.581 -2.077 -4.216 411 HD2 TYR 57 1HD TYR 57 -3.408 -1.607 -1.026 412 HE1 TYR 57 2HE TYR 57 0.883 -0.375 -3.162 413 HE2 TYR 57 1HE TYR 57 -1.947 0.094 0.035 414 HH TYR 57 HH TYR 57 0.749 1.467 -1.614 415 H ASN 58 H ASN 58 -3.085 -5.271 -1.630 416 HA ASN 58 HA ASN 58 -0.920 -5.224 0.165 417 HB2 ASN 58 2HB ASN 58 -3.390 -6.840 -0.264 418 HB3 ASN 58 1HB ASN 58 -2.199 -7.521 0.846 419 HD21 ASN 58 1HD2 ASN 58 -4.242 -4.646 0.277 420 HD22 ASN 58 2HD2 ASN 58 -4.188 -4.090 1.879 421 H LEU 59 H LEU 59 -1.747 -7.653 -2.308 422 HA LEU 59 HA LEU 59 0.479 -9.432 -1.730 423 HB2 LEU 59 2HB LEU 59 -1.775 -9.812 -2.997 424 HB3 LEU 59 1HB LEU 59 -0.952 -9.095 -4.379 425 HG LEU 59 HG LEU 59 -0.798 -11.569 -4.401 426 HD11 LEU 59 1HD1 LEU 59 1.979 -10.688 -3.747 427 HD12 LEU 59 2HD1 LEU 59 1.137 -9.850 -5.050 428 HD13 LEU 59 3HD1 LEU 59 1.386 -11.594 -5.139 429 HD21 LEU 59 3HD2 LEU 59 0.977 -11.365 -1.969 430 HD22 LEU 59 1HD2 LEU 59 0.244 -12.804 -2.679 431 HD23 LEU 59 2HD2 LEU 59 -0.758 -11.643 -1.809 432 H TYR 60 H TYR 60 -0.116 -6.660 -3.823 433 HA TYR 60 HA TYR 60 2.074 -6.624 -5.571 434 HB2 TYR 60 2HB TYR 60 0.058 -4.952 -4.768 435 HB3 TYR 60 1HB TYR 60 1.461 -4.097 -4.148 436 HD1 TYR 60 2HD TYR 60 0.615 -6.032 -7.255 437 HD2 TYR 60 1HD TYR 60 2.252 -2.455 -5.540 438 HE1 TYR 60 2HE TYR 60 1.035 -5.134 -9.524 439 HE2 TYR 60 1HE TYR 60 2.667 -1.557 -7.803 440 HH TYR 60 HH TYR 60 2.847 -3.282 -10.464 441 H ARG 61 H ARG 61 1.943 -5.147 -2.314 442 HA ARG 61 HA ARG 61 4.526 -4.215 -1.974 443 HB2 ARG 61 2HB ARG 61 2.728 -5.727 -0.057 444 HB3 ARG 61 1HB ARG 61 4.130 -4.787 0.452 445 HG2 ARG 61 2HG ARG 61 2.418 -3.257 -1.346 446 HG3 ARG 61 1HG ARG 61 1.532 -3.815 0.073 447 HD2 ARG 61 2HD ARG 61 2.457 -1.779 0.822 448 HD3 ARG 61 1HD ARG 61 3.654 -2.959 1.389 449 HE ARG 61 HE ARG 61 4.492 -2.383 -1.183 450 HH11 ARG 61 1HH2 ARG 61 3.733 -0.465 1.626 451 HH12 ARG 61 2HH2 ARG 61 4.850 0.787 1.206 452 HH21 ARG 61 1HH1 ARG 61 5.933 -0.744 -1.702 453 HH22 ARG 61 2HH1 ARG 61 6.086 0.633 -0.663 454 H ASN 62 H ASN 62 3.487 -7.614 -1.535 455 HA ASN 62 HA ASN 62 6.176 -8.516 -0.814 456 HB2 ASN 62 2HB ASN 62 3.550 -9.853 -1.528 457 HB3 ASN 62 1HB ASN 62 4.993 -10.764 -1.075 458 HD21 ASN 62 1HD2 ASN 62 2.535 -8.509 0.145 459 HD22 ASN 62 2HD2 ASN 62 2.906 -8.723 1.787 460 H ALA 63 H ALA 63 4.029 -9.096 -3.636 461 HA ALA 63 HA ALA 63 5.773 -10.524 -5.290 462 HB1 ALA 63 1HB ALA 63 4.401 -8.968 -7.055 463 HB2 ALA 63 2HB ALA 63 3.454 -8.700 -5.591 464 HB3 ALA 63 3HB ALA 63 3.683 -10.337 -6.207 465 H GLN 64 H GLN 64 5.221 -7.003 -5.729 466 HA GLN 64 HA GLN 64 7.373 -6.450 -7.437 467 HB2 GLN 64 2HB GLN 64 5.756 -4.971 -5.415 468 HB3 GLN 64 1HB GLN 64 7.218 -4.172 -5.995 469 HG2 GLN 64 2HG GLN 64 5.037 -5.296 -7.783 470 HG3 GLN 64 1HG GLN 64 5.225 -3.591 -7.371 471 HE21 GLN 64 1HE2 GLN 64 6.494 -6.198 -9.354 472 HE22 GLN 64 2HE2 GLN 64 7.630 -5.259 -10.196 473 H SER 65 H SER 65 7.428 -6.882 -3.934 474 HA SER 65 HA SER 65 10.165 -5.921 -3.582 475 HB2 SER 65 2HB SER 65 8.093 -7.382 -1.954 476 HB3 SER 65 1HB SER 65 9.736 -7.212 -1.343 477 HG SER 65 HG SER 65 8.001 -5.495 -0.935 478 H ASN 66 H ASN 66 8.608 -9.025 -4.199 479 HA ASN 66 HA ASN 66 11.096 -10.554 -3.771 480 HB2 ASN 66 2HB ASN 66 8.795 -11.348 -3.171 481 HB3 ASN 66 1HB ASN 66 8.392 -11.362 -4.889 482 HD21 ASN 66 1HD2 ASN 66 10.159 -13.052 -2.362 483 HD22 ASN 66 2HD2 ASN 66 10.645 -14.366 -3.320 484 H THR 67 H THR 67 9.362 -9.056 -6.413 485 HA THR 67 HA THR 67 10.749 -10.611 -8.496 486 HB THR 67 HB THR 67 9.438 -9.036 -9.960 487 HG1 THR 67 1HG THR 67 9.038 -7.231 -8.957 488 HG21 THR 67 3HG2 THR 67 7.526 -10.263 -9.667 489 HG22 THR 67 1HG2 THR 67 7.481 -9.971 -7.929 490 HG23 THR 67 2HG2 THR 67 8.570 -11.190 -8.591 491 H ALA 68 H ALA 68 10.795 -7.265 -7.216 492 HA ALA 68 HA ALA 68 12.702 -6.178 -9.033 493 HB1 ALA 68 1HB ALA 68 11.650 -5.613 -6.307 494 HB2 ALA 68 2HB ALA 68 11.705 -4.571 -7.728 495 HB3 ALA 68 3HB ALA 68 13.152 -4.804 -6.749 496 H LYS 69 H LYS 69 13.151 -8.007 -6.016 497 HA LYS 69 HA LYS 69 15.931 -7.646 -5.620 498 HB2 LYS 69 2HB LYS 69 13.840 -9.663 -4.977 499 HB3 LYS 69 1HB LYS 69 15.512 -10.198 -4.805 500 HG2 LYS 69 2HG LYS 69 15.810 -7.902 -3.549 501 HG3 LYS 69 1HG LYS 69 14.064 -8.018 -3.337 502 HD2 LYS 69 2HD LYS 69 14.779 -9.154 -1.447 503 HD3 LYS 69 1HD LYS 69 14.650 -10.493 -2.589 504 HE2 LYS 69 2HE LYS 69 16.978 -10.627 -2.892 505 HE3 LYS 69 1HE LYS 69 17.240 -8.963 -2.333 506 HZ1 LYS 69 3HZ LYS 69 16.519 -9.596 -0.135 507 HZ2 LYS 69 1HZ LYS 69 17.796 -10.605 -0.612 508 HZ3 LYS 69 2HZ LYS 69 16.198 -11.182 -0.651 509 H ALA 70 H ALA 70 14.321 -10.318 -7.395 510 HA ALA 70 HA ALA 70 16.772 -11.426 -8.447 511 HB1 ALA 70 1HB ALA 70 14.366 -12.399 -8.151 512 HB2 ALA 70 2HB ALA 70 15.297 -12.894 -9.565 513 HB3 ALA 70 3HB ALA 70 14.047 -11.659 -9.719 514 H PHE 71 H PHE 71 14.539 -8.939 -9.549 515 HA PHE 71 HA PHE 71 15.290 -8.762 -12.289 516 HB2 PHE 71 2HB PHE 71 13.595 -7.484 -10.501 517 HB3 PHE 71 1HB PHE 71 14.744 -6.215 -10.922 518 HD1 PHE 71 2HD PHE 71 15.421 -6.412 -13.607 519 HD2 PHE 71 1HD PHE 71 11.674 -7.486 -11.803 520 HE1 PHE 71 2HE PHE 71 14.282 -6.102 -15.788 521 HE2 PHE 71 1HE PHE 71 10.535 -7.177 -13.984 522 HZ PHE 71 HZ PHE 71 11.839 -6.484 -15.977 523 H LYS 72 H LYS 72 16.454 -6.718 -9.575 524 HA LYS 72 HA LYS 72 18.539 -5.428 -11.034 525 HB2 LYS 72 2HB LYS 72 19.358 -4.865 -8.758 526 HB3 LYS 72 1HB LYS 72 17.610 -4.674 -8.877 527 HG2 LYS 72 2HG LYS 72 17.222 -6.760 -7.746 528 HG3 LYS 72 1HG LYS 72 18.926 -7.200 -7.849 529 HD2 LYS 72 2HD LYS 72 19.319 -4.984 -6.518 530 HD3 LYS 72 1HD LYS 72 17.613 -5.136 -6.099 531 HE2 LYS 72 2HE LYS 72 18.487 -6.395 -4.367 532 HE3 LYS 72 1HE LYS 72 18.435 -7.676 -5.594 533 HZ1 LYS 72 3HZ LYS 72 20.726 -5.852 -5.082 534 HZ2 LYS 72 1HZ LYS 72 20.669 -7.043 -6.289 535 HZ3 LYS 72 2HZ LYS 72 20.653 -7.493 -4.650 536 H ASP 73 H ASP 73 18.394 -8.591 -9.528 537 HA ASP 73 HA ASP 73 21.267 -9.041 -9.420 538 HB2 ASP 73 2HB ASP 73 19.354 -10.136 -8.093 539 HB3 ASP 73 1HB ASP 73 19.058 -11.105 -9.537 540 H ILE 74 H ILE 74 18.700 -10.397 -11.536 541 HA ILE 74 HA ILE 74 20.259 -11.854 -13.339 542 HB ILE 74 HB ILE 74 17.816 -10.118 -13.834 543 HG12 ILE 74 2HG1 ILE 74 17.688 -13.080 -13.539 544 HG13 ILE 74 1HG1 ILE 74 18.014 -12.156 -12.073 545 HG21 ILE 74 1HG2 ILE 74 18.944 -10.804 -15.940 546 HG22 ILE 74 2HG2 ILE 74 17.383 -11.600 -15.745 547 HG23 ILE 74 3HG2 ILE 74 18.872 -12.485 -15.415 548 HD11 ILE 74 3HD1 ILE 74 16.015 -10.660 -12.974 549 HD12 ILE 74 1HD1 ILE 74 15.696 -12.134 -12.060 550 HD13 ILE 74 2HD1 ILE 74 15.582 -12.145 -13.819 551 H ASP 75 H ASP 75 19.583 -8.350 -13.417 552 HA ASP 75 HA ASP 75 20.814 -7.705 -15.896 553 HB2 ASP 75 2HB ASP 75 20.362 -6.301 -13.267 554 HB3 ASP 75 1HB ASP 75 21.217 -5.481 -14.574 555 H ALA 76 H ALA 76 22.197 -8.115 -12.653 556 HA ALA 76 HA ALA 76 24.816 -7.155 -13.066 557 HB1 ALA 76 1HB ALA 76 23.575 -8.056 -10.984 558 HB2 ALA 76 2HB ALA 76 25.303 -8.388 -11.101 559 HB3 ALA 76 3HB ALA 76 24.133 -9.646 -11.503 560 H ALA 77 H ALA 77 23.306 -10.061 -14.313 561 HA ALA 77 HA ALA 77 25.921 -11.234 -15.092 562 HB1 ALA 77 1HB ALA 77 23.991 -12.526 -14.072 563 HB2 ALA 77 2HB ALA 77 24.575 -13.176 -15.604 564 HB3 ALA 77 3HB ALA 77 23.093 -12.220 -15.559 565 H ILE 78 H ILE 78 23.311 -9.349 -16.427 566 HA ILE 78 HA ILE 78 23.706 -10.107 -19.208 567 HB ILE 78 HB ILE 78 22.444 -7.664 -17.920 568 HG12 ILE 78 2HG1 ILE 78 21.163 -10.245 -18.877 569 HG13 ILE 78 1HG1 ILE 78 21.515 -9.884 -17.187 570 HG21 ILE 78 1HG2 ILE 78 21.144 -7.620 -20.072 571 HG22 ILE 78 2HG2 ILE 78 22.223 -8.872 -20.691 572 HG23 ILE 78 3HG2 ILE 78 22.864 -7.282 -20.277 573 HD11 ILE 78 3HD1 ILE 78 19.430 -8.736 -18.975 574 HD12 ILE 78 1HD1 ILE 78 20.187 -7.634 -17.824 575 HD13 ILE 78 2HD1 ILE 78 19.363 -9.084 -17.247 576 H ILE 79 H ILE 79 25.588 -8.249 -17.068 577 HA ILE 79 HA ILE 79 26.746 -6.644 -19.317 578 HB ILE 79 HB ILE 79 26.840 -6.289 -16.300 579 HG12 ILE 79 2HG1 ILE 79 25.326 -4.743 -18.434 580 HG13 ILE 79 1HG1 ILE 79 24.600 -5.925 -17.346 581 HG21 ILE 79 1HG2 ILE 79 27.488 -4.046 -18.124 582 HG22 ILE 79 2HG2 ILE 79 28.673 -5.351 -18.095 583 HG23 ILE 79 3HG2 ILE 79 28.246 -4.517 -16.602 584 HD11 ILE 79 3HD1 ILE 79 25.522 -4.520 -15.421 585 HD12 ILE 79 1HD1 ILE 79 24.203 -3.795 -16.341 586 HD13 ILE 79 2HD1 ILE 79 25.865 -3.274 -16.623 587 H GLN 80 H GLN 80 27.554 -8.703 -16.521 588 HA GLN 80 HA GLN 80 30.408 -8.805 -17.287 589 HB2 GLN 80 2HB GLN 80 28.730 -10.119 -15.122 590 HB3 GLN 80 1HB GLN 80 30.484 -10.269 -15.242 591 HG2 GLN 80 2HG GLN 80 30.644 -7.766 -15.131 592 HG3 GLN 80 1HG GLN 80 28.907 -7.714 -14.831 593 HE21 GLN 80 1HE2 GLN 80 28.190 -8.123 -12.698 594 HE22 GLN 80 2HE2 GLN 80 29.219 -8.580 -11.427 595 H ASN 81 H ASN 81 27.498 -10.782 -17.448 596 HA ASN 81 HA ASN 81 29.037 -12.965 -18.816 597 HB2 ASN 81 2HB ASN 81 26.741 -12.793 -16.937 598 HB3 ASN 81 1HB ASN 81 26.601 -14.016 -18.201 599 HD21 ASN 81 1HD2 ASN 81 27.857 -13.488 -15.106 600 HD22 ASN 81 2HD2 ASN 81 28.992 -14.751 -15.073 601 H PHE 82 H PHE 82 26.977 -10.370 -19.426 602 HA PHE 82 HA PHE 82 25.738 -9.694 -21.268 603 HB2 PHE 82 2HB PHE 82 26.677 -10.272 -23.268 604 HB3 PHE 82 1HB PHE 82 27.887 -11.008 -22.234 605 HD1 PHE 82 2HD PHE 82 24.588 -11.866 -23.845 606 HD2 PHE 82 1HD PHE 82 28.492 -13.219 -22.667 607 HE1 PHE 82 2HE PHE 82 24.155 -14.056 -24.922 608 HE2 PHE 82 1HE PHE 82 28.062 -15.404 -23.757 609 HZ PHE 82 HZ PHE 82 25.892 -15.824 -24.880 610 H ARG 83 H ARG 83 25.276 -12.864 -19.949 611 HA ARG 83 HA ARG 83 23.435 -14.322 -19.944 612 HB2 ARG 83 2HB ARG 83 22.407 -11.495 -19.821 613 HB3 ARG 83 1HB ARG 83 21.328 -12.874 -19.613 614 HG2 ARG 83 2HG ARG 83 23.876 -12.599 -18.022 615 HG3 ARG 83 1HG ARG 83 22.362 -11.876 -17.477 616 HD2 ARG 83 2HD ARG 83 22.629 -14.815 -18.196 617 HD3 ARG 83 1HD ARG 83 22.783 -14.192 -16.541 618 HE ARG 83 HE ARG 83 20.388 -13.213 -17.883 619 HH11 ARG 83 1HH2 ARG 83 21.774 -15.848 -16.072 620 HH12 ARG 83 2HH2 ARG 83 20.243 -16.386 -15.475 621 HH21 ARG 83 1HH1 ARG 83 18.416 -13.932 -17.093 622 HH22 ARG 83 2HH1 ARG 83 18.355 -15.311 -16.047 Start of MODEL 22 1 H1 GLY 1 1HT GLY 1 19.001 6.100 -30.631 2 H2 GLY 1 2HT GLY 1 19.332 4.650 -29.809 3 H3 GLY 1 3HT GLY 1 20.168 6.072 -29.400 4 HA2 GLY 1 2HA GLY 1 18.335 7.031 -28.372 5 HA3 GLY 1 1HA GLY 1 17.229 5.903 -29.157 6 H SER 2 H SER 2 18.962 6.517 -26.325 7 HA SER 2 HA SER 2 18.994 3.662 -25.472 8 HB2 SER 2 2HB SER 2 20.924 5.328 -25.200 9 HB3 SER 2 1HB SER 2 19.932 6.128 -23.984 10 HG SER 2 HG SER 2 21.171 4.640 -22.919 11 H HIS 3 H HIS 3 16.642 3.463 -25.259 12 HA HIS 3 HA HIS 3 15.324 5.187 -23.226 13 HB2 HIS 3 2HB HIS 3 14.364 3.040 -25.145 14 HB3 HIS 3 1HB HIS 3 13.301 3.946 -24.066 15 HD1 HIS 3 1HD HIS 3 14.004 6.760 -24.316 16 HD2 HIS 3 2HD HIS 3 14.294 4.237 -27.622 17 HE1 HIS 3 1HE HIS 3 13.951 8.252 -26.362 18 H MET 4 H MET 4 15.959 4.443 -21.188 19 HA MET 4 HA MET 4 16.151 2.977 -19.345 20 HB2 MET 4 2HB MET 4 13.670 2.913 -20.220 21 HB3 MET 4 1HB MET 4 14.090 1.275 -20.723 22 HG2 MET 4 2HG MET 4 15.058 1.136 -18.250 23 HG3 MET 4 1HG MET 4 13.879 2.416 -17.966 24 HE1 MET 4 3HE MET 4 10.508 0.987 -18.422 25 HE2 MET 4 1HE MET 4 11.527 2.332 -18.952 26 HE3 MET 4 2HE MET 4 11.488 1.867 -17.253 27 H ALA 5 H ALA 5 18.315 2.260 -20.091 28 HA ALA 5 HA ALA 5 18.456 -0.637 -20.421 29 HB1 ALA 5 1HB ALA 5 19.901 0.058 -22.651 30 HB2 ALA 5 2HB ALA 5 18.588 1.235 -22.703 31 HB3 ALA 5 3HB ALA 5 18.226 -0.492 -22.688 32 H THR 6 H THR 6 19.509 1.339 -18.558 33 HA THR 6 HA THR 6 22.393 1.583 -19.187 34 HB THR 6 HB THR 6 22.263 2.712 -16.856 35 HG1 THR 6 1HG THR 6 20.086 3.294 -16.340 36 HG21 THR 6 3HG2 THR 6 22.398 4.187 -18.664 37 HG22 THR 6 1HG2 THR 6 20.866 4.649 -17.924 38 HG23 THR 6 2HG2 THR 6 20.878 3.626 -19.360 39 HA PRO 7 HA PRO 7 23.524 -2.055 -16.970 40 HB2 PRO 7 2HB PRO 7 25.975 -1.270 -15.972 41 HB3 PRO 7 1HB PRO 7 25.707 -1.788 -17.646 42 HG2 PRO 7 2HG PRO 7 25.977 0.949 -16.532 43 HG3 PRO 7 1HG PRO 7 26.528 0.299 -18.083 44 HD2 PRO 7 2HD PRO 7 24.320 1.868 -17.813 45 HD3 PRO 7 1HD PRO 7 24.511 0.657 -19.100 46 H TRP 8 H TRP 8 24.031 -2.791 -14.720 47 HA TRP 8 HA TRP 8 23.165 -2.820 -12.504 48 HB2 TRP 8 2HB TRP 8 24.507 -0.848 -11.267 49 HB3 TRP 8 1HB TRP 8 25.290 -2.314 -11.835 50 HD1 TRP 8 HD TRP 8 24.651 1.320 -12.969 51 HE1 TRP 8 1HE TRP 8 26.590 2.029 -14.515 52 HE3 TRP 8 3HE TRP 8 27.216 -3.085 -13.241 53 HZ2 TRP 8 2HZ TRP 8 28.923 0.876 -15.704 54 HZ3 TRP 8 3HZ TRP 8 29.293 -3.252 -14.581 55 HH2 TRP 8 HH TRP 8 30.150 -1.278 -15.812 56 H SER 9 H SER 9 21.283 -1.413 -14.143 57 HA SER 9 HA SER 9 20.537 0.998 -12.582 58 HB2 SER 9 2HB SER 9 20.241 1.389 -14.852 59 HB3 SER 9 1HB SER 9 19.841 -0.291 -15.193 60 HG SER 9 HG SER 9 18.120 1.487 -15.153 61 H GLY 10 H GLY 10 18.203 -1.294 -13.931 62 HA2 GLY 10 2HA GLY 10 16.493 -2.536 -12.937 63 HA3 GLY 10 1HA GLY 10 17.519 -2.643 -11.508 64 H TYR 11 H TYR 11 17.558 -0.685 -10.113 65 HA TYR 11 HA TYR 11 14.813 0.275 -9.665 66 HB2 TYR 11 2HB TYR 11 17.385 0.061 -8.231 67 HB3 TYR 11 1HB TYR 11 16.423 1.471 -7.793 68 HD1 TYR 11 1HD TYR 11 13.820 0.967 -7.468 69 HD2 TYR 11 2HD TYR 11 16.960 -1.945 -7.122 70 HE1 TYR 11 1HE TYR 11 12.336 -0.470 -6.096 71 HE2 TYR 11 2HE TYR 11 15.475 -3.382 -5.752 72 HH TYR 11 HH TYR 11 12.673 -2.299 -4.327 73 H LEU 12 H LEU 12 17.639 1.464 -11.257 74 HA LEU 12 HA LEU 12 17.420 4.271 -10.823 75 HB2 LEU 12 2HB LEU 12 18.532 2.415 -12.879 76 HB3 LEU 12 1HB LEU 12 18.383 4.113 -13.331 77 HG LEU 12 HG LEU 12 19.611 4.724 -11.234 78 HD11 LEU 12 1HD1 LEU 12 19.599 1.732 -10.979 79 HD12 LEU 12 2HD1 LEU 12 19.343 2.957 -9.737 80 HD13 LEU 12 3HD1 LEU 12 20.969 2.644 -10.344 81 HD21 LEU 12 3HD2 LEU 12 21.842 3.797 -12.036 82 HD22 LEU 12 1HD2 LEU 12 20.892 4.628 -13.268 83 HD23 LEU 12 2HD2 LEU 12 20.936 2.866 -13.229 84 H ASP 13 H ASP 13 15.474 2.082 -12.750 85 HA ASP 13 HA ASP 13 13.460 4.126 -13.237 86 HB2 ASP 13 2HB ASP 13 15.550 4.361 -14.884 87 HB3 ASP 13 1HB ASP 13 14.698 3.084 -15.755 88 H ASP 14 H ASP 14 14.794 0.979 -14.241 89 HA ASP 14 HA ASP 14 12.517 -0.214 -15.389 90 HB2 ASP 14 2HB ASP 14 15.031 -1.020 -14.104 91 HB3 ASP 14 1HB ASP 14 13.769 -2.248 -14.022 92 H VAL 15 H VAL 15 13.536 -1.280 -12.220 93 HA VAL 15 HA VAL 15 11.078 -2.273 -11.333 94 HB VAL 15 HB VAL 15 13.329 -0.964 -9.791 95 HG11 VAL 15 1HG1 VAL 15 11.098 -2.834 -9.011 96 HG12 VAL 15 2HG1 VAL 15 11.519 -1.278 -8.296 97 HG13 VAL 15 3HG1 VAL 15 12.569 -2.673 -8.051 98 HG21 VAL 15 3HG2 VAL 15 12.948 -3.611 -11.131 99 HG22 VAL 15 1HG2 VAL 15 13.864 -3.561 -9.624 100 HG23 VAL 15 2HG2 VAL 15 14.398 -2.614 -11.013 101 H SER 16 H SER 16 12.382 1.005 -10.969 102 HA SER 16 HA SER 16 10.551 2.124 -9.176 103 HB2 SER 16 2HB SER 16 12.395 3.385 -9.879 104 HB3 SER 16 1HB SER 16 12.064 3.093 -11.583 105 HG SER 16 HG SER 16 11.379 5.187 -10.224 106 H ALA 17 H ALA 17 10.043 1.355 -12.604 107 HA ALA 17 HA ALA 17 7.541 2.835 -12.849 108 HB1 ALA 17 1HB ALA 17 8.692 2.438 -14.854 109 HB2 ALA 17 2HB ALA 17 7.440 1.197 -14.905 110 HB3 ALA 17 3HB ALA 17 9.080 0.776 -14.413 111 H LYS 18 H LYS 18 8.422 -0.520 -12.108 112 HA LYS 18 HA LYS 18 5.573 -1.340 -11.919 113 HB2 LYS 18 2HB LYS 18 8.196 -2.806 -11.463 114 HB3 LYS 18 1HB LYS 18 6.606 -3.564 -11.534 115 HG2 LYS 18 2HG LYS 18 7.824 -1.946 -13.789 116 HG3 LYS 18 1HG LYS 18 7.859 -3.707 -13.698 117 HD2 LYS 18 2HD LYS 18 5.341 -3.669 -13.541 118 HD3 LYS 18 1HD LYS 18 5.407 -1.937 -13.873 119 HE2 LYS 18 2HE LYS 18 6.478 -2.343 -16.033 120 HE3 LYS 18 1HE LYS 18 6.557 -4.083 -15.694 121 HZ1 LYS 18 3HZ LYS 18 4.094 -2.429 -15.876 122 HZ2 LYS 18 1HZ LYS 18 4.126 -4.057 -15.399 123 HZ3 LYS 18 2HZ LYS 18 4.588 -3.625 -16.977 124 H PHE 19 H PHE 19 8.226 -0.358 -9.906 125 HA PHE 19 HA PHE 19 6.939 -1.317 -7.415 126 HB2 PHE 19 2HB PHE 19 9.522 -1.186 -8.318 127 HB3 PHE 19 1HB PHE 19 9.424 0.300 -7.375 128 HD1 PHE 19 2HD PHE 19 8.117 -0.036 -5.040 129 HD2 PHE 19 1HD PHE 19 10.198 -3.105 -7.205 130 HE1 PHE 19 2HE PHE 19 8.348 -1.349 -2.948 131 HE2 PHE 19 1HE PHE 19 10.433 -4.419 -5.113 132 HZ PHE 19 HZ PHE 19 9.507 -3.542 -2.986 133 H ASP 20 H ASP 20 8.411 1.774 -8.556 134 HA ASP 20 HA ASP 20 7.040 3.364 -6.564 135 HB2 ASP 20 2HB ASP 20 9.090 3.641 -8.479 136 HB3 ASP 20 1HB ASP 20 7.856 4.807 -8.957 137 H THR 21 H THR 21 6.682 3.710 -10.110 138 HA THR 21 HA THR 21 4.106 4.929 -9.994 139 HB THR 21 HB THR 21 5.383 3.249 -12.180 140 HG1 THR 21 1HG THR 21 5.543 6.013 -11.571 141 HG21 THR 21 3HG2 THR 21 3.971 4.445 -13.705 142 HG22 THR 21 1HG2 THR 21 3.417 5.533 -12.432 143 HG23 THR 21 2HG2 THR 21 2.928 3.839 -12.420 144 H GLY 22 H GLY 22 5.074 1.524 -10.388 145 HA2 GLY 22 2HA GLY 22 2.510 0.409 -10.866 146 HA3 GLY 22 1HA GLY 22 3.850 -0.456 -10.118 147 H VAL 23 H VAL 23 4.238 0.362 -7.720 148 HA VAL 23 HA VAL 23 1.918 -0.380 -6.213 149 HB VAL 23 HB VAL 23 4.417 1.106 -5.361 150 HG11 VAL 23 1HG1 VAL 23 2.750 -0.797 -3.727 151 HG12 VAL 23 2HG1 VAL 23 2.400 0.932 -3.772 152 HG13 VAL 23 3HG1 VAL 23 3.955 0.362 -3.165 153 HG21 VAL 23 3HG2 VAL 23 4.169 -1.820 -4.960 154 HG22 VAL 23 1HG2 VAL 23 5.574 -0.870 -5.438 155 HG23 VAL 23 2HG2 VAL 23 4.360 -1.311 -6.636 156 H ASP 24 H ASP 24 3.373 2.819 -6.889 157 HA ASP 24 HA ASP 24 1.671 4.407 -5.247 158 HB2 ASP 24 2HB ASP 24 3.723 5.153 -6.460 159 HB3 ASP 24 1HB ASP 24 2.846 5.015 -7.984 160 H ASN 25 H ASN 25 1.266 3.211 -8.573 161 HA ASN 25 HA ASN 25 -1.241 4.493 -9.136 162 HB2 ASN 25 2HB ASN 25 0.314 3.421 -10.779 163 HB3 ASN 25 1HB ASN 25 -0.114 1.844 -10.114 164 HD21 ASN 25 1HD2 ASN 25 -1.257 4.496 -12.133 165 HD22 ASN 25 2HD2 ASN 25 -2.684 3.733 -12.649 166 H LEU 26 H LEU 26 -0.413 1.293 -7.775 167 HA LEU 26 HA LEU 26 -3.113 0.348 -7.468 168 HB2 LEU 26 2HB LEU 26 -0.428 -0.460 -6.875 169 HB3 LEU 26 1HB LEU 26 -1.379 -0.645 -5.406 170 HG LEU 26 HG LEU 26 -2.248 -1.701 -8.096 171 HD11 LEU 26 1HD1 LEU 26 -1.676 -3.940 -6.857 172 HD12 LEU 26 2HD1 LEU 26 -0.599 -2.916 -5.909 173 HD13 LEU 26 3HD1 LEU 26 -0.392 -3.034 -7.655 174 HD21 LEU 26 3HD2 LEU 26 -3.353 -3.103 -5.880 175 HD22 LEU 26 1HD2 LEU 26 -4.197 -2.083 -7.044 176 HD23 LEU 26 2HD2 LEU 26 -3.550 -1.380 -5.562 177 H GLN 27 H GLN 27 -1.092 2.500 -5.550 178 HA GLN 27 HA GLN 27 -2.750 2.382 -3.152 179 HB2 GLN 27 2HB GLN 27 -0.205 3.091 -3.712 180 HB3 GLN 27 1HB GLN 27 -0.956 4.686 -3.736 181 HG2 GLN 27 2HG GLN 27 -1.992 4.132 -1.496 182 HG3 GLN 27 1HG GLN 27 -0.987 2.682 -1.466 183 HE21 GLN 27 1HE2 GLN 27 1.129 2.932 -0.690 184 HE22 GLN 27 2HE2 GLN 27 1.889 4.428 -0.435 185 H THR 28 H THR 28 -2.497 4.529 -5.984 186 HA THR 28 HA THR 28 -4.448 6.429 -4.877 187 HB THR 28 HB THR 28 -2.411 6.770 -6.521 188 HG1 THR 28 1HG THR 28 -3.616 8.497 -5.973 189 HG21 THR 28 3HG2 THR 28 -3.610 5.098 -8.165 190 HG22 THR 28 1HG2 THR 28 -2.800 6.525 -8.810 191 HG23 THR 28 2HG2 THR 28 -4.553 6.518 -8.613 192 H GLN 29 H GLN 29 -4.465 3.648 -7.044 193 HA GLN 29 HA GLN 29 -6.960 4.063 -8.341 194 HB2 GLN 29 2HB GLN 29 -4.979 2.036 -8.068 195 HB3 GLN 29 1HB GLN 29 -6.532 1.285 -7.720 196 HG2 GLN 29 2HG GLN 29 -5.796 2.853 -10.207 197 HG3 GLN 29 1HG GLN 29 -6.121 1.125 -10.108 198 HE21 GLN 29 1HE2 GLN 29 -8.448 1.593 -8.190 199 HE22 GLN 29 2HE2 GLN 29 -9.699 2.191 -9.165 200 H VAL 30 H VAL 30 -6.275 2.268 -5.286 201 HA VAL 30 HA VAL 30 -9.030 1.674 -4.767 202 HB VAL 30 HB VAL 30 -8.054 1.788 -2.254 203 HG11 VAL 30 1HG1 VAL 30 -8.374 -0.185 -4.319 204 HG12 VAL 30 2HG1 VAL 30 -8.516 -0.378 -2.573 205 HG13 VAL 30 3HG1 VAL 30 -6.950 -0.582 -3.357 206 HG21 VAL 30 3HG2 VAL 30 -5.860 2.713 -3.392 207 HG22 VAL 30 1HG2 VAL 30 -5.578 1.009 -3.746 208 HG23 VAL 30 2HG2 VAL 30 -5.756 1.545 -2.076 209 H THR 31 H THR 31 -7.181 4.615 -4.431 210 HA THR 31 HA THR 31 -8.877 5.961 -2.533 211 HB THR 31 HB THR 31 -7.478 7.281 -4.862 212 HG1 THR 31 1HG THR 31 -6.300 6.121 -2.558 213 HG21 THR 31 3HG2 THR 31 -7.609 7.993 -1.924 214 HG22 THR 31 1HG2 THR 31 -8.763 8.577 -3.121 215 HG23 THR 31 2HG2 THR 31 -7.061 9.022 -3.247 216 H GLU 32 H GLU 32 -8.835 5.808 -6.118 217 HA GLU 32 HA GLU 32 -11.271 7.313 -6.531 218 HB2 GLU 32 2HB GLU 32 -9.986 5.070 -8.145 219 HB3 GLU 32 1HB GLU 32 -11.182 6.211 -8.755 220 HG2 GLU 32 2HG GLU 32 -8.452 6.964 -7.687 221 HG3 GLU 32 1HG GLU 32 -8.876 6.851 -9.394 222 H ALA 33 H ALA 33 -10.427 3.905 -6.123 223 HA ALA 33 HA ALA 33 -13.017 2.730 -6.353 224 HB1 ALA 33 1HB ALA 33 -10.963 1.745 -4.397 225 HB2 ALA 33 2HB ALA 33 -10.524 1.807 -6.099 226 HB3 ALA 33 3HB ALA 33 -11.896 0.832 -5.578 227 H LEU 34 H LEU 34 -11.446 4.562 -3.805 228 HA LEU 34 HA LEU 34 -13.213 3.783 -1.633 229 HB2 LEU 34 2HB LEU 34 -10.845 4.889 -1.634 230 HB3 LEU 34 1HB LEU 34 -11.714 6.401 -1.901 231 HG LEU 34 HG LEU 34 -13.182 5.466 0.134 232 HD11 LEU 34 1HD1 LEU 34 -11.714 4.350 1.775 233 HD12 LEU 34 2HD1 LEU 34 -10.410 4.317 0.589 234 HD13 LEU 34 3HD1 LEU 34 -11.875 3.376 0.313 235 HD21 LEU 34 3HD2 LEU 34 -11.301 6.646 1.612 236 HD22 LEU 34 1HD2 LEU 34 -12.278 7.572 0.472 237 HD23 LEU 34 2HD2 LEU 34 -10.650 7.060 0.027 238 H ASP 35 H ASP 35 -12.922 6.758 -3.602 239 HA ASP 35 HA ASP 35 -15.421 7.927 -2.825 240 HB2 ASP 35 2HB ASP 35 -13.397 8.175 -4.992 241 HB3 ASP 35 1HB ASP 35 -14.998 8.807 -5.374 242 H LYS 36 H LYS 36 -14.552 5.350 -5.006 243 HA LYS 36 HA LYS 36 -16.984 5.223 -6.577 244 HB2 LYS 36 2HB LYS 36 -14.433 3.953 -6.348 245 HB3 LYS 36 1HB LYS 36 -15.641 2.686 -6.238 246 HG2 LYS 36 2HG LYS 36 -16.187 2.877 -8.424 247 HG3 LYS 36 1HG LYS 36 -16.229 4.639 -8.345 248 HD2 LYS 36 2HD LYS 36 -13.533 3.416 -8.147 249 HD3 LYS 36 1HD LYS 36 -14.334 3.239 -9.709 250 HE2 LYS 36 2HE LYS 36 -14.861 5.789 -9.443 251 HE3 LYS 36 1HE LYS 36 -13.517 5.754 -8.285 252 HZ1 LYS 36 3HZ LYS 36 -12.789 6.149 -10.609 253 HZ2 LYS 36 1HZ LYS 36 -13.390 4.619 -11.027 254 HZ3 LYS 36 2HZ LYS 36 -12.108 4.753 -9.921 255 H LEU 37 H LEU 37 -15.756 2.886 -4.183 256 HA LEU 37 HA LEU 37 -18.037 1.422 -3.616 257 HB2 LEU 37 2HB LEU 37 -16.087 0.695 -2.579 258 HB3 LEU 37 1HB LEU 37 -15.602 2.324 -2.123 259 HG LEU 37 HG LEU 37 -17.327 2.347 -0.354 260 HD11 LEU 37 1HD1 LEU 37 -18.131 -0.239 0.013 261 HD12 LEU 37 2HD1 LEU 37 -18.121 -0.136 -1.748 262 HD13 LEU 37 3HD1 LEU 37 -19.097 0.989 -0.803 263 HD21 LEU 37 3HD2 LEU 37 -16.095 1.066 1.152 264 HD22 LEU 37 1HD2 LEU 37 -14.939 1.252 -0.167 265 HD23 LEU 37 2HD2 LEU 37 -15.857 -0.246 -0.003 266 H ALA 38 H ALA 38 -17.162 4.611 -2.329 267 HA ALA 38 HA ALA 38 -19.583 4.739 -0.652 268 HB1 ALA 38 1HB ALA 38 -18.567 7.020 -0.180 269 HB2 ALA 38 2HB ALA 38 -17.269 6.580 -1.289 270 HB3 ALA 38 3HB ALA 38 -17.524 5.646 0.185 271 H ALA 39 H ALA 39 -18.529 5.774 -3.837 272 HA ALA 39 HA ALA 39 -20.361 7.915 -4.340 273 HB1 ALA 39 1HB ALA 39 -20.072 6.565 -6.744 274 HB2 ALA 39 2HB ALA 39 -18.665 6.013 -5.840 275 HB3 ALA 39 3HB ALA 39 -18.914 7.735 -6.111 276 H LYS 40 H LYS 40 -20.638 4.606 -5.606 277 HA LYS 40 HA LYS 40 -23.549 4.824 -5.875 278 HB2 LYS 40 2HB LYS 40 -21.319 3.181 -6.786 279 HB3 LYS 40 1HB LYS 40 -22.657 2.166 -6.251 280 HG2 LYS 40 2HG LYS 40 -22.926 2.681 -8.621 281 HG3 LYS 40 1HG LYS 40 -24.195 3.488 -7.700 282 HD2 LYS 40 2HD LYS 40 -23.334 5.584 -8.083 283 HD3 LYS 40 1HD LYS 40 -21.668 5.007 -8.125 284 HE2 LYS 40 2HE LYS 40 -22.639 3.759 -10.335 285 HE3 LYS 40 1HE LYS 40 -23.635 5.228 -10.338 286 HZ1 LYS 40 3HZ LYS 40 -21.539 5.648 -11.451 287 HZ2 LYS 40 1HZ LYS 40 -20.675 5.124 -10.089 288 HZ3 LYS 40 2HZ LYS 40 -21.614 6.538 -10.006 289 HA PRO 41 HA PRO 41 -24.607 3.250 -1.873 290 HB2 PRO 41 2HB PRO 41 -26.677 1.579 -3.181 291 HB3 PRO 41 1HB PRO 41 -26.869 2.860 -1.969 292 HG2 PRO 41 2HG PRO 41 -27.571 3.186 -4.543 293 HG3 PRO 41 1HG PRO 41 -26.981 4.514 -3.534 294 HD2 PRO 41 2HD PRO 41 -25.596 3.034 -5.702 295 HD3 PRO 41 1HD PRO 41 -25.414 4.723 -5.181 296 H SER 42 H SER 42 -25.555 0.669 -1.257 297 HA SER 42 HA SER 42 -23.250 -0.961 -1.225 298 HB2 SER 42 2HB SER 42 -26.220 -1.515 -1.105 299 HB3 SER 42 1HB SER 42 -25.040 -2.807 -0.903 300 HG SER 42 HG SER 42 -24.328 -1.884 0.926 301 H ASP 43 H ASP 43 -22.276 -0.997 -3.337 302 HA ASP 43 HA ASP 43 -23.856 -2.335 -5.492 303 HB2 ASP 43 2HB ASP 43 -21.779 -0.228 -5.307 304 HB3 ASP 43 1HB ASP 43 -21.642 -1.312 -6.692 305 HA PRO 44 HA PRO 44 -21.141 -5.811 -5.338 306 HB2 PRO 44 2HB PRO 44 -21.370 -6.662 -7.935 307 HB3 PRO 44 1HB PRO 44 -22.658 -6.872 -6.736 308 HG2 PRO 44 2HG PRO 44 -22.440 -4.957 -8.963 309 HG3 PRO 44 1HG PRO 44 -23.878 -5.677 -8.228 310 HD2 PRO 44 2HD PRO 44 -22.948 -3.094 -7.792 311 HD3 PRO 44 1HD PRO 44 -24.112 -3.965 -6.773 312 H ALA 45 H ALA 45 -20.852 -3.804 -8.227 313 HA ALA 45 HA ALA 45 -18.162 -4.686 -8.867 314 HB1 ALA 45 1HB ALA 45 -19.486 -4.122 -10.670 315 HB2 ALA 45 2HB ALA 45 -18.592 -2.616 -10.456 316 HB3 ALA 45 3HB ALA 45 -20.233 -2.766 -9.827 317 H LEU 46 H LEU 46 -19.449 -1.473 -7.884 318 HA LEU 46 HA LEU 46 -17.049 -0.045 -7.637 319 HB2 LEU 46 2HB LEU 46 -19.718 -0.071 -6.259 320 HB3 LEU 46 1HB LEU 46 -18.479 1.017 -5.653 321 HG LEU 46 HG LEU 46 -20.233 1.713 -7.601 322 HD11 LEU 46 1HD1 LEU 46 -18.142 3.236 -8.358 323 HD12 LEU 46 2HD1 LEU 46 -17.500 2.559 -6.868 324 HD13 LEU 46 3HD1 LEU 46 -19.002 3.474 -6.838 325 HD21 LEU 46 3HD2 LEU 46 -19.222 1.632 -9.788 326 HD22 LEU 46 1HD2 LEU 46 -19.239 -0.018 -9.173 327 HD23 LEU 46 2HD2 LEU 46 -17.746 0.919 -9.146 328 H LEU 47 H LEU 47 -18.674 -1.754 -4.936 329 HA LEU 47 HA LEU 47 -16.580 -1.541 -3.017 330 HB2 LEU 47 2HB LEU 47 -19.099 -2.426 -3.025 331 HB3 LEU 47 1HB LEU 47 -18.306 -3.988 -3.226 332 HG LEU 47 HG LEU 47 -17.116 -2.259 -1.145 333 HD11 LEU 47 1HD1 LEU 47 -19.781 -2.075 -1.145 334 HD12 LEU 47 2HD1 LEU 47 -18.873 -2.237 0.359 335 HD13 LEU 47 3HD1 LEU 47 -19.645 -3.650 -0.362 336 HD21 LEU 47 3HD2 LEU 47 -17.604 -4.624 0.021 337 HD22 LEU 47 1HD2 LEU 47 -16.250 -4.399 -1.086 338 HD23 LEU 47 2HD2 LEU 47 -17.747 -5.133 -1.661 339 H ALA 48 H ALA 48 -17.368 -4.210 -5.259 340 HA ALA 48 HA ALA 48 -15.173 -5.937 -4.749 341 HB1 ALA 48 1HB ALA 48 -15.600 -6.552 -7.196 342 HB2 ALA 48 2HB ALA 48 -16.772 -5.235 -7.220 343 HB3 ALA 48 3HB ALA 48 -17.013 -6.609 -6.142 344 H ALA 49 H ALA 49 -15.415 -2.945 -6.523 345 HA ALA 49 HA ALA 49 -13.013 -3.150 -8.073 346 HB1 ALA 49 1HB ALA 49 -13.798 -1.156 -8.816 347 HB2 ALA 49 2HB ALA 49 -13.836 -0.478 -7.187 348 HB3 ALA 49 3HB ALA 49 -15.184 -1.450 -7.771 349 H TYR 50 H TYR 50 -13.630 -1.169 -5.087 350 HA TYR 50 HA TYR 50 -10.896 -0.560 -4.586 351 HB2 TYR 50 2HB TYR 50 -12.953 0.387 -3.466 352 HB3 TYR 50 1HB TYR 50 -13.042 -1.094 -2.514 353 HD1 TYR 50 1HD TYR 50 -10.760 -1.778 -1.300 354 HD2 TYR 50 2HD TYR 50 -11.756 2.171 -2.619 355 HE1 TYR 50 1HE TYR 50 -9.095 -0.828 0.259 356 HE2 TYR 50 2HE TYR 50 -10.100 3.129 -1.070 357 HH TYR 50 HH TYR 50 -9.014 1.975 1.388 358 H GLN 51 H GLN 51 -12.804 -3.433 -3.636 359 HA GLN 51 HA GLN 51 -10.736 -4.602 -1.985 360 HB2 GLN 51 2HB GLN 51 -13.057 -5.782 -3.550 361 HB3 GLN 51 1HB GLN 51 -12.137 -6.650 -2.319 362 HG2 GLN 51 2HG GLN 51 -12.743 -4.785 -0.708 363 HG3 GLN 51 1HG GLN 51 -13.858 -4.189 -1.936 364 HE21 GLN 51 1HE2 GLN 51 -14.797 -6.710 -2.944 365 HE22 GLN 51 2HE2 GLN 51 -15.684 -7.475 -1.715 366 H SER 52 H SER 52 -11.739 -5.100 -5.380 367 HA SER 52 HA SER 52 -9.953 -7.051 -6.249 368 HB2 SER 52 2HB SER 52 -11.734 -5.999 -7.600 369 HB3 SER 52 1HB SER 52 -10.844 -4.480 -7.614 370 HG SER 52 HG SER 52 -10.653 -6.287 -9.390 371 H LYS 53 H LYS 53 -9.376 -3.532 -6.035 372 HA LYS 53 HA LYS 53 -6.591 -3.715 -6.864 373 HB2 LYS 53 2HB LYS 53 -8.586 -1.730 -6.223 374 HB3 LYS 53 1HB LYS 53 -7.119 -1.372 -5.314 375 HG2 LYS 53 2HG LYS 53 -6.198 -0.521 -7.176 376 HG3 LYS 53 1HG LYS 53 -6.289 -2.110 -7.930 377 HD2 LYS 53 2HD LYS 53 -8.811 -0.526 -7.831 378 HD3 LYS 53 1HD LYS 53 -7.561 0.026 -8.947 379 HE2 LYS 53 2HE LYS 53 -7.598 -1.979 -10.187 380 HE3 LYS 53 1HE LYS 53 -8.369 -2.884 -8.868 381 HZ1 LYS 53 3HZ LYS 53 -9.632 -0.578 -10.250 382 HZ2 LYS 53 1HZ LYS 53 -10.358 -1.620 -9.125 383 HZ3 LYS 53 2HZ LYS 53 -9.930 -2.198 -10.665 384 H LEU 54 H LEU 54 -8.357 -3.825 -3.828 385 HA LEU 54 HA LEU 54 -6.195 -3.435 -1.999 386 HB2 LEU 54 2HB LEU 54 -8.795 -3.567 -1.733 387 HB3 LEU 54 1HB LEU 54 -8.524 -5.295 -1.538 388 HG LEU 54 HG LEU 54 -6.802 -4.688 0.241 389 HD11 LEU 54 1HD1 LEU 54 -7.767 -2.029 -0.584 390 HD12 LEU 54 2HD1 LEU 54 -6.275 -2.478 0.241 391 HD13 LEU 54 3HD1 LEU 54 -7.766 -2.278 1.161 392 HD21 LEU 54 3HD2 LEU 54 -8.451 -4.757 1.899 393 HD22 LEU 54 1HD2 LEU 54 -9.339 -5.355 0.498 394 HD23 LEU 54 2HD2 LEU 54 -9.528 -3.678 1.012 395 H SER 55 H SER 55 -7.780 -6.566 -2.705 396 HA SER 55 HA SER 55 -5.871 -8.298 -1.644 397 HB2 SER 55 2HB SER 55 -7.718 -8.475 -4.027 398 HB3 SER 55 1HB SER 55 -6.767 -9.859 -3.496 399 HG SER 55 HG SER 55 -8.318 -10.137 -2.110 400 H GLU 56 H GLU 56 -5.729 -6.539 -4.688 401 HA GLU 56 HA GLU 56 -3.397 -8.029 -5.694 402 HB2 GLU 56 2HB GLU 56 -5.294 -6.918 -7.030 403 HB3 GLU 56 1HB GLU 56 -4.529 -5.380 -6.631 404 HG2 GLU 56 2HG GLU 56 -3.498 -5.853 -8.656 405 HG3 GLU 56 1HG GLU 56 -2.356 -6.584 -7.529 406 H TYR 57 H TYR 57 -4.101 -4.985 -4.053 407 HA TYR 57 HA TYR 57 -1.460 -3.837 -4.363 408 HB2 TYR 57 2HB TYR 57 -3.553 -2.571 -3.977 409 HB3 TYR 57 1HB TYR 57 -3.689 -3.301 -2.382 410 HD1 TYR 57 2HD TYR 57 -0.609 -2.069 -4.140 411 HD2 TYR 57 1HD TYR 57 -3.393 -1.531 -0.922 412 HE1 TYR 57 2HE TYR 57 0.875 -0.355 -3.136 413 HE2 TYR 57 1HE TYR 57 -1.913 0.183 0.089 414 HH TYR 57 HH TYR 57 1.031 0.541 -0.331 415 H ASN 58 H ASN 58 -3.119 -5.202 -1.478 416 HA ASN 58 HA ASN 58 -0.958 -5.137 0.318 417 HB2 ASN 58 2HB ASN 58 -3.408 -6.811 -0.095 418 HB3 ASN 58 1HB ASN 58 -2.233 -7.375 1.093 419 HD21 ASN 58 1HD2 ASN 58 -5.023 -5.702 1.027 420 HD22 ASN 58 2HD2 ASN 58 -4.749 -4.578 2.268 421 H LEU 59 H LEU 59 -1.794 -7.603 -2.112 422 HA LEU 59 HA LEU 59 0.418 -9.386 -1.499 423 HB2 LEU 59 2HB LEU 59 -1.837 -9.768 -2.767 424 HB3 LEU 59 1HB LEU 59 -0.998 -9.088 -4.159 425 HG LEU 59 HG LEU 59 -0.868 -11.563 -4.132 426 HD11 LEU 59 1HD1 LEU 59 1.091 -9.876 -4.795 427 HD12 LEU 59 2HD1 LEU 59 1.322 -11.623 -4.849 428 HD13 LEU 59 3HD1 LEU 59 1.912 -10.698 -3.468 429 HD21 LEU 59 3HD2 LEU 59 -0.763 -11.444 -1.473 430 HD22 LEU 59 1HD2 LEU 59 0.975 -11.458 -1.775 431 HD23 LEU 59 2HD2 LEU 59 -0.031 -12.787 -2.353 432 H TYR 60 H TYR 60 -0.150 -6.641 -3.638 433 HA TYR 60 HA TYR 60 2.056 -6.672 -5.372 434 HB2 TYR 60 2HB TYR 60 0.042 -4.956 -4.629 435 HB3 TYR 60 1HB TYR 60 1.458 -4.092 -4.055 436 HD1 TYR 60 2HD TYR 60 0.423 -6.075 -7.073 437 HD2 TYR 60 1HD TYR 60 2.420 -2.608 -5.521 438 HE1 TYR 60 2HE TYR 60 0.858 -5.290 -9.380 439 HE2 TYR 60 1HE TYR 60 2.851 -1.821 -7.825 440 HH TYR 60 HH TYR 60 3.050 -3.254 -10.250 441 H ARG 61 H ARG 61 1.911 -5.091 -2.157 442 HA ARG 61 HA ARG 61 4.500 -4.169 -1.839 443 HB2 ARG 61 2HB ARG 61 2.347 -5.234 -0.116 444 HB3 ARG 61 1HB ARG 61 3.943 -5.206 0.635 445 HG2 ARG 61 2HG ARG 61 4.024 -2.926 0.686 446 HG3 ARG 61 1HG ARG 61 3.222 -2.763 -0.878 447 HD2 ARG 61 2HD ARG 61 1.652 -1.909 0.713 448 HD3 ARG 61 1HD ARG 61 1.078 -3.549 0.355 449 HE ARG 61 HE ARG 61 2.851 -3.942 2.436 450 HH11 ARG 61 1HH2 ARG 61 0.088 -1.876 1.949 451 HH12 ARG 61 2HH2 ARG 61 -0.329 -1.854 3.627 452 HH21 ARG 61 1HH1 ARG 61 2.288 -3.896 4.607 453 HH22 ARG 61 2HH1 ARG 61 0.907 -2.987 5.122 454 H ASN 62 H ASN 62 3.442 -7.547 -1.300 455 HA ASN 62 HA ASN 62 6.135 -8.439 -0.571 456 HB2 ASN 62 2HB ASN 62 3.524 -9.832 -1.246 457 HB3 ASN 62 1HB ASN 62 4.963 -10.675 -0.671 458 HD21 ASN 62 1HD2 ASN 62 2.233 -8.753 0.317 459 HD22 ASN 62 2HD2 ASN 62 2.622 -8.679 1.968 460 H ALA 63 H ALA 63 3.945 -9.131 -3.333 461 HA ALA 63 HA ALA 63 5.682 -10.609 -4.960 462 HB1 ALA 63 1HB ALA 63 4.250 -9.183 -6.768 463 HB2 ALA 63 2HB ALA 63 3.338 -8.813 -5.305 464 HB3 ALA 63 3HB ALA 63 3.552 -10.489 -5.811 465 H GLN 64 H GLN 64 5.055 -7.120 -5.513 466 HA GLN 64 HA GLN 64 7.141 -6.587 -7.302 467 HB2 GLN 64 2HB GLN 64 5.513 -5.090 -5.324 468 HB3 GLN 64 1HB GLN 64 6.973 -4.272 -5.881 469 HG2 GLN 64 2HG GLN 64 4.869 -5.469 -7.710 470 HG3 GLN 64 1HG GLN 64 4.986 -3.757 -7.303 471 HE21 GLN 64 1HE2 GLN 64 7.659 -3.178 -7.486 472 HE22 GLN 64 2HE2 GLN 64 8.258 -3.531 -9.034 473 H SER 65 H SER 65 7.314 -6.898 -3.788 474 HA SER 65 HA SER 65 10.051 -5.879 -3.581 475 HB2 SER 65 2HB SER 65 8.372 -5.736 -1.769 476 HB3 SER 65 1HB SER 65 8.292 -7.494 -1.702 477 HG SER 65 HG SER 65 9.788 -6.221 -0.219 478 H ASN 66 H ASN 66 8.495 -9.007 -4.001 479 HA ASN 66 HA ASN 66 10.967 -10.531 -3.501 480 HB2 ASN 66 2HB ASN 66 8.096 -11.060 -4.197 481 HB3 ASN 66 1HB ASN 66 9.282 -12.344 -4.446 482 HD21 ASN 66 1HD2 ASN 66 7.925 -10.182 -1.934 483 HD22 ASN 66 2HD2 ASN 66 8.365 -11.167 -0.623 484 H THR 67 H THR 67 9.200 -9.211 -6.232 485 HA THR 67 HA THR 67 10.741 -10.794 -8.200 486 HB THR 67 HB THR 67 8.888 -8.508 -8.824 487 HG1 THR 67 1HG THR 67 7.203 -9.573 -8.123 488 HG21 THR 67 3HG2 THR 67 9.599 -9.461 -10.802 489 HG22 THR 67 1HG2 THR 67 8.190 -10.471 -10.477 490 HG23 THR 67 2HG2 THR 67 9.807 -11.057 -10.081 491 H ALA 68 H ALA 68 10.470 -7.425 -7.066 492 HA ALA 68 HA ALA 68 12.165 -6.173 -8.973 493 HB1 ALA 68 1HB ALA 68 11.751 -5.618 -6.017 494 HB2 ALA 68 2HB ALA 68 10.734 -5.022 -7.328 495 HB3 ALA 68 3HB ALA 68 12.401 -4.466 -7.184 496 H LYS 69 H LYS 69 12.971 -7.791 -5.896 497 HA LYS 69 HA LYS 69 15.735 -7.192 -5.756 498 HB2 LYS 69 2HB LYS 69 13.864 -9.290 -4.785 499 HB3 LYS 69 1HB LYS 69 15.581 -9.691 -4.715 500 HG2 LYS 69 2HG LYS 69 15.750 -7.236 -3.697 501 HG3 LYS 69 1HG LYS 69 14.072 -7.558 -3.261 502 HD2 LYS 69 2HD LYS 69 14.629 -9.214 -1.771 503 HD3 LYS 69 1HD LYS 69 16.035 -9.725 -2.706 504 HE2 LYS 69 2HE LYS 69 17.120 -7.497 -2.010 505 HE3 LYS 69 1HE LYS 69 15.813 -7.373 -0.814 506 HZ1 LYS 69 3HZ LYS 69 17.535 -9.770 -1.150 507 HZ2 LYS 69 1HZ LYS 69 16.389 -9.499 0.071 508 HZ3 LYS 69 2HZ LYS 69 17.809 -8.567 0.019 509 H ALA 70 H ALA 70 14.238 -10.144 -7.151 510 HA ALA 70 HA ALA 70 16.651 -11.191 -8.284 511 HB1 ALA 70 1HB ALA 70 15.177 -12.755 -9.286 512 HB2 ALA 70 2HB ALA 70 13.872 -11.575 -9.405 513 HB3 ALA 70 3HB ALA 70 14.317 -12.242 -7.835 514 H PHE 71 H PHE 71 14.282 -8.857 -9.455 515 HA PHE 71 HA PHE 71 14.978 -8.824 -12.223 516 HB2 PHE 71 2HB PHE 71 13.218 -7.548 -10.505 517 HB3 PHE 71 1HB PHE 71 14.287 -6.236 -11.001 518 HD1 PHE 71 1HD PHE 71 11.873 -8.777 -12.155 519 HD2 PHE 71 2HD PHE 71 14.396 -5.500 -13.315 520 HE1 PHE 71 1HE PHE 71 10.715 -8.661 -14.346 521 HE2 PHE 71 2HE PHE 71 13.238 -5.383 -15.505 522 HZ PHE 71 HZ PHE 71 11.397 -6.964 -16.020 523 H LYS 72 H LYS 72 16.015 -6.508 -9.682 524 HA LYS 72 HA LYS 72 18.032 -5.237 -11.257 525 HB2 LYS 72 2HB LYS 72 18.791 -4.403 -9.045 526 HB3 LYS 72 1HB LYS 72 17.037 -4.328 -9.191 527 HG2 LYS 72 2HG LYS 72 16.765 -6.326 -7.869 528 HG3 LYS 72 1HG LYS 72 18.499 -6.643 -7.895 529 HD2 LYS 72 2HD LYS 72 18.732 -4.316 -6.776 530 HD3 LYS 72 1HD LYS 72 17.010 -4.472 -6.426 531 HE2 LYS 72 2HE LYS 72 18.019 -5.408 -4.503 532 HE3 LYS 72 1HE LYS 72 17.691 -6.842 -5.497 533 HZ1 LYS 72 3HZ LYS 72 20.234 -5.315 -5.348 534 HZ2 LYS 72 1HZ LYS 72 19.926 -6.525 -6.495 535 HZ3 LYS 72 2HZ LYS 72 19.973 -6.915 -4.842 536 H ASP 73 H ASP 73 18.064 -8.212 -9.390 537 HA ASP 73 HA ASP 73 20.924 -8.518 -9.169 538 HB2 ASP 73 2HB ASP 73 19.113 -9.679 -7.852 539 HB3 ASP 73 1HB ASP 73 18.755 -10.635 -9.291 540 H ILE 74 H ILE 74 18.546 -9.866 -11.489 541 HA ILE 74 HA ILE 74 20.218 -11.441 -13.091 542 HB ILE 74 HB ILE 74 17.924 -9.605 -13.865 543 HG12 ILE 74 2HG1 ILE 74 17.633 -12.553 -13.544 544 HG13 ILE 74 1HG1 ILE 74 17.837 -11.613 -12.066 545 HG21 ILE 74 1HG2 ILE 74 18.720 -10.210 -15.953 546 HG22 ILE 74 2HG2 ILE 74 17.712 -11.616 -15.607 547 HG23 ILE 74 3HG2 ILE 74 19.456 -11.698 -15.357 548 HD11 ILE 74 3HD1 ILE 74 15.565 -11.676 -13.964 549 HD12 ILE 74 1HD1 ILE 74 16.015 -10.074 -13.378 550 HD13 ILE 74 2HD1 ILE 74 15.577 -11.343 -12.233 551 H ASP 75 H ASP 75 19.780 -7.909 -13.206 552 HA ASP 75 HA ASP 75 21.234 -7.328 -15.577 553 HB2 ASP 75 2HB ASP 75 20.692 -5.923 -12.967 554 HB3 ASP 75 1HB ASP 75 21.692 -5.152 -14.197 555 H ALA 76 H ALA 76 22.343 -7.873 -12.250 556 HA ALA 76 HA ALA 76 25.048 -7.098 -12.468 557 HB1 ALA 76 1HB ALA 76 25.268 -8.269 -10.453 558 HB2 ALA 76 2HB ALA 76 24.184 -9.559 -10.974 559 HB3 ALA 76 3HB ALA 76 23.529 -7.987 -10.516 560 H ALA 77 H ALA 77 23.426 -9.878 -13.850 561 HA ALA 77 HA ALA 77 25.977 -11.280 -14.409 562 HB1 ALA 77 1HB ALA 77 23.930 -12.470 -13.657 563 HB2 ALA 77 2HB ALA 77 24.440 -13.013 -15.255 564 HB3 ALA 77 3HB ALA 77 23.084 -11.898 -15.095 565 H ILE 78 H ILE 78 23.723 -9.119 -15.969 566 HA ILE 78 HA ILE 78 24.352 -9.844 -18.709 567 HB ILE 78 HB ILE 78 23.222 -7.310 -17.475 568 HG12 ILE 78 2HG1 ILE 78 21.790 -9.703 -18.676 569 HG13 ILE 78 1HG1 ILE 78 21.984 -9.433 -16.943 570 HG21 ILE 78 1HG2 ILE 78 23.741 -6.702 -19.668 571 HG22 ILE 78 2HG2 ILE 78 22.103 -7.329 -19.856 572 HG23 ILE 78 3HG2 ILE 78 23.488 -8.335 -20.286 573 HD11 ILE 78 3HD1 ILE 78 20.970 -7.053 -17.550 574 HD12 ILE 78 1HD1 ILE 78 19.918 -8.441 -17.270 575 HD13 ILE 78 2HD1 ILE 78 20.301 -7.943 -18.918 576 H ILE 79 H ILE 79 26.189 -8.266 -16.325 577 HA ILE 79 HA ILE 79 27.738 -6.734 -18.380 578 HB ILE 79 HB ILE 79 27.574 -6.479 -15.358 579 HG12 ILE 79 2HG1 ILE 79 26.465 -4.642 -17.502 580 HG13 ILE 79 1HG1 ILE 79 25.497 -5.871 -16.690 581 HG21 ILE 79 1HG2 ILE 79 29.594 -5.467 -15.750 582 HG22 ILE 79 2HG2 ILE 79 28.566 -4.122 -16.243 583 HG23 ILE 79 3HG2 ILE 79 29.245 -5.203 -17.459 584 HD11 ILE 79 3HD1 ILE 79 25.128 -4.418 -15.013 585 HD12 ILE 79 1HD1 ILE 79 26.204 -3.238 -15.759 586 HD13 ILE 79 2HD1 ILE 79 26.853 -4.443 -14.648 587 H GLN 80 H GLN 80 28.047 -8.921 -15.578 588 HA GLN 80 HA GLN 80 30.933 -9.321 -16.072 589 HB2 GLN 80 2HB GLN 80 28.887 -10.410 -14.114 590 HB3 GLN 80 1HB GLN 80 30.581 -10.903 -14.102 591 HG2 GLN 80 2HG GLN 80 30.041 -7.976 -14.144 592 HG3 GLN 80 1HG GLN 80 29.682 -8.830 -12.643 593 HE21 GLN 80 1HE2 GLN 80 31.915 -6.905 -13.140 594 HE22 GLN 80 2HE2 GLN 80 33.344 -7.764 -12.825 595 H ASN 81 H ASN 81 27.862 -10.963 -16.596 596 HA ASN 81 HA ASN 81 29.294 -13.268 -17.876 597 HB2 ASN 81 2HB ASN 81 26.840 -12.889 -16.241 598 HB3 ASN 81 1HB ASN 81 26.712 -14.063 -17.552 599 HD21 ASN 81 1HD2 ASN 81 27.546 -13.833 -14.324 600 HD22 ASN 81 2HD2 ASN 81 28.586 -15.169 -14.213 601 H PHE 82 H PHE 82 27.598 -10.448 -18.601 602 HA PHE 82 HA PHE 82 26.637 -9.596 -20.534 603 HB2 PHE 82 2HB PHE 82 27.716 -10.225 -22.446 604 HB3 PHE 82 1HB PHE 82 28.725 -11.113 -21.322 605 HD1 PHE 82 2HD PHE 82 25.544 -11.564 -23.295 606 HD2 PHE 82 1HD PHE 82 29.133 -13.368 -21.767 607 HE1 PHE 82 2HE PHE 82 24.998 -13.665 -24.489 608 HE2 PHE 82 1HE PHE 82 28.590 -15.464 -22.973 609 HZ PHE 82 HZ PHE 82 26.521 -15.614 -24.330 610 H ARG 83 H ARG 83 25.705 -12.726 -19.378 611 HA ARG 83 HA ARG 83 23.729 -13.973 -19.610 612 HB2 ARG 83 2HB ARG 83 22.995 -11.055 -19.514 613 HB3 ARG 83 1HB ARG 83 21.765 -12.318 -19.451 614 HG2 ARG 83 2HG ARG 83 24.151 -12.344 -17.607 615 HG3 ARG 83 1HG ARG 83 22.679 -11.463 -17.198 616 HD2 ARG 83 2HD ARG 83 22.681 -14.400 -17.964 617 HD3 ARG 83 1HD ARG 83 22.750 -13.828 -16.286 618 HE ARG 83 HE ARG 83 20.620 -12.554 -17.815 619 HH11 ARG 83 1HH2 ARG 83 21.518 -15.359 -15.951 620 HH12 ARG 83 2HH2 ARG 83 19.886 -15.721 -15.508 621 HH21 ARG 83 1HH1 ARG 83 18.513 -13.048 -17.225 622 HH22 ARG 83 2HH1 ARG 83 18.197 -14.425 -16.223 Start of MODEL 23 1 H1 GLY 1 1HT GLY 1 19.166 -3.109 -26.288 2 H2 GLY 1 2HT GLY 1 19.398 -3.647 -24.693 3 H3 GLY 1 3HT GLY 1 19.968 -2.118 -25.168 4 HA2 GLY 1 2HA GLY 1 17.175 -2.994 -24.744 5 HA3 GLY 1 1HA GLY 1 18.030 -1.653 -23.980 6 H SER 2 H SER 2 15.582 -2.013 -25.930 7 HA SER 2 HA SER 2 16.425 0.120 -27.867 8 HB2 SER 2 2HB SER 2 14.820 -0.869 -29.379 9 HB3 SER 2 1HB SER 2 15.784 -2.184 -28.714 10 HG SER 2 HG SER 2 13.990 -2.966 -27.977 11 H HIS 3 H HIS 3 13.568 -1.105 -26.074 12 HA HIS 3 HA HIS 3 12.499 1.694 -26.016 13 HB2 HIS 3 2HB HIS 3 11.345 -1.071 -26.102 14 HB3 HIS 3 1HB HIS 3 10.396 0.208 -25.346 15 HD1 HIS 3 1HD HIS 3 9.596 -1.130 -28.086 16 HD2 HIS 3 2HD HIS 3 11.664 2.470 -27.699 17 HE1 HIS 3 1HE HIS 3 9.209 0.153 -30.235 18 H MET 4 H MET 4 13.114 2.629 -24.089 19 HA MET 4 HA MET 4 13.439 2.921 -21.766 20 HB2 MET 4 2HB MET 4 11.228 0.840 -21.822 21 HB3 MET 4 1HB MET 4 11.642 1.834 -20.425 22 HG2 MET 4 2HG MET 4 10.839 2.967 -23.118 23 HG3 MET 4 1HG MET 4 9.718 2.736 -21.775 24 HE1 MET 4 3HE MET 4 11.329 3.568 -19.118 25 HE2 MET 4 1HE MET 4 9.673 3.747 -19.716 26 HE3 MET 4 2HE MET 4 10.562 5.153 -19.137 27 H ALA 5 H ALA 5 15.602 1.826 -22.031 28 HA ALA 5 HA ALA 5 15.895 -0.356 -20.117 29 HB1 ALA 5 1HB ALA 5 16.860 -1.906 -21.887 30 HB2 ALA 5 2HB ALA 5 16.210 -0.802 -23.098 31 HB3 ALA 5 3HB ALA 5 15.119 -1.648 -22.001 32 H THR 6 H THR 6 17.579 0.728 -19.090 33 HA THR 6 HA THR 6 19.956 1.459 -20.775 34 HB THR 6 HB THR 6 20.304 3.191 -18.945 35 HG1 THR 6 1HG THR 6 18.387 3.605 -17.713 36 HG21 THR 6 3HG2 THR 6 18.999 3.439 -21.220 37 HG22 THR 6 1HG2 THR 6 18.936 4.733 -20.024 38 HG23 THR 6 2HG2 THR 6 17.596 3.597 -20.163 39 HA PRO 7 HA PRO 7 22.224 -1.345 -18.236 40 HB2 PRO 7 2HB PRO 7 24.709 -0.166 -18.310 41 HB3 PRO 7 1HB PRO 7 24.028 -1.106 -19.650 42 HG2 PRO 7 2HG PRO 7 24.211 1.838 -19.305 43 HG3 PRO 7 1HG PRO 7 24.370 0.858 -20.771 44 HD2 PRO 7 2HD PRO 7 22.129 2.279 -20.136 45 HD3 PRO 7 1HD PRO 7 22.116 0.812 -21.139 46 H TRP 8 H TRP 8 23.502 -1.386 -16.167 47 HA TRP 8 HA TRP 8 23.351 -0.866 -13.851 48 HB2 TRP 8 2HB TRP 8 24.664 1.454 -13.614 49 HB3 TRP 8 1HB TRP 8 25.472 -0.028 -14.101 50 HD1 TRP 8 HD TRP 8 23.892 3.125 -15.666 51 HE1 TRP 8 1HE TRP 8 25.089 3.598 -17.899 52 HE3 TRP 8 3HE TRP 8 26.958 -0.949 -15.901 53 HZ2 TRP 8 2HZ TRP 8 27.088 2.406 -19.562 54 HZ3 TRP 8 3HZ TRP 8 28.501 -1.253 -17.816 55 HH2 TRP 8 HH TRP 8 28.571 0.418 -19.646 56 H SER 9 H SER 9 20.867 -0.135 -15.068 57 HA SER 9 HA SER 9 20.219 2.391 -13.584 58 HB2 SER 9 2HB SER 9 19.742 2.882 -15.800 59 HB3 SER 9 1HB SER 9 19.420 1.201 -16.209 60 HG SER 9 HG SER 9 17.673 3.078 -15.690 61 H GLY 10 H GLY 10 17.920 0.037 -14.891 62 HA2 GLY 10 2HA GLY 10 16.361 -1.355 -13.847 63 HA3 GLY 10 1HA GLY 10 17.459 -1.417 -12.468 64 H TYR 11 H TYR 11 17.441 0.547 -11.051 65 HA TYR 11 HA TYR 11 14.651 1.311 -10.480 66 HB2 TYR 11 2HB TYR 11 17.307 1.327 -9.136 67 HB3 TYR 11 1HB TYR 11 16.126 2.510 -8.574 68 HD1 TYR 11 2HD TYR 11 16.502 -1.131 -9.354 69 HD2 TYR 11 1HD TYR 11 14.427 1.867 -7.084 70 HE1 TYR 11 2HE TYR 11 15.328 -2.908 -8.082 71 HE2 TYR 11 1HE TYR 11 13.252 0.091 -5.813 72 HH TYR 11 HH TYR 11 13.721 -2.362 -5.223 73 H LEU 12 H LEU 12 17.351 2.702 -12.125 74 HA LEU 12 HA LEU 12 17.007 5.477 -11.600 75 HB2 LEU 12 2HB LEU 12 18.145 3.731 -13.718 76 HB3 LEU 12 1HB LEU 12 17.829 5.401 -14.184 77 HG LEU 12 HG LEU 12 19.074 6.105 -12.085 78 HD11 LEU 12 1HD1 LEU 12 20.766 4.084 -11.529 79 HD12 LEU 12 2HD1 LEU 12 19.337 3.142 -11.954 80 HD13 LEU 12 3HD1 LEU 12 19.257 4.322 -10.647 81 HD21 LEU 12 3HD2 LEU 12 21.147 6.057 -13.193 82 HD22 LEU 12 1HD2 LEU 12 20.003 5.851 -14.519 83 HD23 LEU 12 2HD2 LEU 12 20.857 4.453 -13.865 84 H ASP 13 H ASP 13 15.086 3.251 -13.509 85 HA ASP 13 HA ASP 13 12.953 5.207 -13.836 86 HB2 ASP 13 2HB ASP 13 14.953 5.573 -15.575 87 HB3 ASP 13 1HB ASP 13 14.103 4.293 -16.441 88 H ASP 14 H ASP 14 14.381 2.154 -14.993 89 HA ASP 14 HA ASP 14 12.093 0.894 -16.055 90 HB2 ASP 14 2HB ASP 14 14.708 0.151 -14.921 91 HB3 ASP 14 1HB ASP 14 13.502 -1.136 -14.878 92 H VAL 15 H VAL 15 13.342 -0.289 -13.015 93 HA VAL 15 HA VAL 15 10.992 -1.403 -12.015 94 HB VAL 15 HB VAL 15 13.280 -0.052 -10.566 95 HG11 VAL 15 1HG1 VAL 15 11.120 -1.960 -9.717 96 HG12 VAL 15 2HG1 VAL 15 11.657 -0.476 -8.929 97 HG13 VAL 15 3HG1 VAL 15 12.671 -1.918 -8.878 98 HG21 VAL 15 3HG2 VAL 15 14.358 -1.619 -11.865 99 HG22 VAL 15 1HG2 VAL 15 12.927 -2.639 -12.007 100 HG23 VAL 15 2HG2 VAL 15 13.881 -2.659 -10.523 101 H SER 16 H SER 16 12.148 1.927 -11.642 102 HA SER 16 HA SER 16 10.381 2.881 -9.687 103 HB2 SER 16 2HB SER 16 12.112 4.262 -10.441 104 HB3 SER 16 1HB SER 16 11.703 4.008 -12.135 105 HG SER 16 HG SER 16 10.171 5.439 -10.209 106 H ALA 17 H ALA 17 9.735 2.339 -13.151 107 HA ALA 17 HA ALA 17 7.129 3.638 -13.142 108 HB1 ALA 17 1HB ALA 17 7.938 1.490 -15.073 109 HB2 ALA 17 2HB ALA 17 8.862 2.992 -15.037 110 HB3 ALA 17 3HB ALA 17 7.135 3.028 -15.389 111 H LYS 18 H LYS 18 8.236 0.286 -12.755 112 HA LYS 18 HA LYS 18 5.459 -0.736 -12.560 113 HB2 LYS 18 2HB LYS 18 8.180 -2.045 -12.203 114 HB3 LYS 18 1HB LYS 18 6.644 -2.902 -12.333 115 HG2 LYS 18 2HG LYS 18 7.694 -1.031 -14.472 116 HG3 LYS 18 1HG LYS 18 7.956 -2.776 -14.492 117 HD2 LYS 18 2HD LYS 18 5.525 -3.156 -14.480 118 HD3 LYS 18 1HD LYS 18 5.245 -1.415 -14.428 119 HE2 LYS 18 2HE LYS 18 7.023 -2.350 -16.618 120 HE3 LYS 18 1HE LYS 18 5.315 -2.810 -16.756 121 HZ1 LYS 18 3HZ LYS 18 6.373 -0.075 -16.267 122 HZ2 LYS 18 1HZ LYS 18 4.729 -0.489 -16.242 123 HZ3 LYS 18 2HZ LYS 18 5.615 -0.624 -17.685 124 H PHE 19 H PHE 19 8.180 0.080 -10.533 125 HA PHE 19 HA PHE 19 6.968 -1.022 -8.083 126 HB2 PHE 19 2HB PHE 19 9.494 -0.791 -8.997 127 HB3 PHE 19 1HB PHE 19 9.392 0.720 -8.096 128 HD1 PHE 19 2HD PHE 19 7.890 0.240 -5.771 129 HD2 PHE 19 1HD PHE 19 10.540 -2.470 -7.787 130 HE1 PHE 19 2HE PHE 19 8.224 -1.007 -3.650 131 HE2 PHE 19 1HE PHE 19 10.877 -3.717 -5.668 132 HZ PHE 19 HZ PHE 19 9.719 -2.986 -3.601 133 H ASP 20 H ASP 20 8.286 2.220 -8.979 134 HA ASP 20 HA ASP 20 6.869 3.564 -6.847 135 HB2 ASP 20 2HB ASP 20 8.869 4.104 -8.778 136 HB3 ASP 20 1HB ASP 20 7.588 5.280 -9.070 137 H THR 21 H THR 21 6.451 4.278 -10.330 138 HA THR 21 HA THR 21 3.852 5.385 -10.088 139 HB THR 21 HB THR 21 5.111 3.890 -12.412 140 HG1 THR 21 1HG THR 21 5.246 6.598 -11.588 141 HG21 THR 21 3HG2 THR 21 3.608 5.038 -13.820 142 HG22 THR 21 1HG2 THR 21 3.176 6.195 -12.560 143 HG23 THR 21 2HG2 THR 21 2.604 4.530 -12.462 144 H GLY 22 H GLY 22 4.867 2.035 -10.711 145 HA2 GLY 22 2HA GLY 22 2.290 0.929 -11.215 146 HA3 GLY 22 1HA GLY 22 3.668 0.021 -10.599 147 H VAL 23 H VAL 23 4.138 0.500 -8.174 148 HA VAL 23 HA VAL 23 1.904 -0.355 -6.632 149 HB VAL 23 HB VAL 23 4.413 1.106 -5.777 150 HG11 VAL 23 1HG1 VAL 23 4.085 0.129 -3.629 151 HG12 VAL 23 2HG1 VAL 23 2.804 -0.924 -4.231 152 HG13 VAL 23 3HG1 VAL 23 2.524 0.812 -4.089 153 HG21 VAL 23 3HG2 VAL 23 4.295 -1.827 -5.544 154 HG22 VAL 23 1HG2 VAL 23 5.597 -0.803 -6.147 155 HG23 VAL 23 2HG2 VAL 23 4.265 -1.250 -7.209 156 H ASP 24 H ASP 24 3.275 2.922 -7.068 157 HA ASP 24 HA ASP 24 1.577 4.305 -5.236 158 HB2 ASP 24 2HB ASP 24 3.621 5.171 -6.422 159 HB3 ASP 24 1HB ASP 24 2.674 5.246 -7.909 160 H ASN 25 H ASN 25 1.148 3.395 -8.647 161 HA ASN 25 HA ASN 25 -1.353 4.717 -9.104 162 HB2 ASN 25 2HB ASN 25 0.102 3.789 -10.865 163 HB3 ASN 25 1HB ASN 25 -0.171 2.160 -10.249 164 HD21 ASN 25 1HD2 ASN 25 -1.549 4.740 -12.178 165 HD22 ASN 25 2HD2 ASN 25 -2.959 3.912 -12.632 166 H LEU 26 H LEU 26 -0.539 1.460 -7.876 167 HA LEU 26 HA LEU 26 -3.273 0.551 -7.626 168 HB2 LEU 26 2HB LEU 26 -0.646 -0.430 -7.253 169 HB3 LEU 26 1HB LEU 26 -1.443 -0.601 -5.691 170 HG LEU 26 HG LEU 26 -2.535 -1.603 -8.327 171 HD11 LEU 26 1HD1 LEU 26 -0.839 -2.801 -6.234 172 HD12 LEU 26 2HD1 LEU 26 -1.017 -3.246 -7.930 173 HD13 LEU 26 3HD1 LEU 26 -2.205 -3.792 -6.746 174 HD21 LEU 26 3HD2 LEU 26 -3.732 -1.173 -5.700 175 HD22 LEU 26 1HD2 LEU 26 -3.866 -2.851 -6.226 176 HD23 LEU 26 2HD2 LEU 26 -4.512 -1.557 -7.234 177 H GLN 27 H GLN 27 -1.097 2.383 -5.512 178 HA GLN 27 HA GLN 27 -2.708 2.153 -3.114 179 HB2 GLN 27 2HB GLN 27 -0.192 2.943 -3.707 180 HB3 GLN 27 1HB GLN 27 -0.970 4.523 -3.616 181 HG2 GLN 27 2HG GLN 27 -1.816 4.009 -1.375 182 HG3 GLN 27 1HG GLN 27 -1.109 2.395 -1.461 183 HE21 GLN 27 1HE2 GLN 27 0.532 2.584 0.137 184 HE22 GLN 27 2HE2 GLN 27 1.786 3.726 0.060 185 H THR 28 H THR 28 -2.558 4.451 -5.814 186 HA THR 28 HA THR 28 -4.575 6.215 -4.577 187 HB THR 28 HB THR 28 -2.620 6.989 -5.981 188 HG1 THR 28 1HG THR 28 -5.234 7.572 -6.905 189 HG21 THR 28 3HG2 THR 28 -2.892 6.799 -8.457 190 HG22 THR 28 1HG2 THR 28 -4.240 5.693 -8.194 191 HG23 THR 28 2HG2 THR 28 -2.615 5.244 -7.676 192 H GLN 29 H GLN 29 -4.432 3.542 -6.846 193 HA GLN 29 HA GLN 29 -6.845 3.920 -8.284 194 HB2 GLN 29 2HB GLN 29 -4.862 1.901 -7.829 195 HB3 GLN 29 1HB GLN 29 -6.442 1.151 -7.668 196 HG2 GLN 29 2HG GLN 29 -5.457 2.775 -10.030 197 HG3 GLN 29 1HG GLN 29 -5.744 1.037 -10.001 198 HE21 GLN 29 1HE2 GLN 29 -8.274 1.479 -8.306 199 HE22 GLN 29 2HE2 GLN 29 -9.428 2.035 -9.415 200 H VAL 30 H VAL 30 -6.328 2.094 -5.219 201 HA VAL 30 HA VAL 30 -9.130 1.517 -4.866 202 HB VAL 30 HB VAL 30 -8.324 1.341 -2.361 203 HG11 VAL 30 1HG1 VAL 30 -8.167 -0.869 -2.798 204 HG12 VAL 30 2HG1 VAL 30 -6.871 -0.645 -3.972 205 HG13 VAL 30 3HG1 VAL 30 -8.550 -0.404 -4.456 206 HG21 VAL 30 3HG2 VAL 30 -6.135 2.606 -3.168 207 HG22 VAL 30 1HG2 VAL 30 -5.635 0.972 -3.607 208 HG23 VAL 30 2HG2 VAL 30 -6.057 1.346 -1.935 209 H THR 31 H THR 31 -7.120 4.310 -4.128 210 HA THR 31 HA THR 31 -8.869 5.649 -2.293 211 HB THR 31 HB THR 31 -7.273 6.993 -4.486 212 HG1 THR 31 1HG THR 31 -6.322 5.725 -2.135 213 HG21 THR 31 3HG2 THR 31 -7.271 7.750 -1.593 214 HG22 THR 31 1HG2 THR 31 -8.707 8.108 -2.553 215 HG23 THR 31 2HG2 THR 31 -7.144 8.779 -3.019 216 H GLU 32 H GLU 32 -8.638 5.648 -5.857 217 HA GLU 32 HA GLU 32 -10.938 7.292 -6.396 218 HB2 GLU 32 2HB GLU 32 -9.774 4.935 -7.940 219 HB3 GLU 32 1HB GLU 32 -10.821 6.182 -8.610 220 HG2 GLU 32 2HG GLU 32 -8.075 6.656 -7.426 221 HG3 GLU 32 1HG GLU 32 -8.450 6.605 -9.146 222 H ALA 33 H ALA 33 -10.434 3.774 -6.209 223 HA ALA 33 HA ALA 33 -13.074 2.831 -6.485 224 HB1 ALA 33 1HB ALA 33 -10.839 1.576 -6.261 225 HB2 ALA 33 2HB ALA 33 -12.199 0.854 -5.403 226 HB3 ALA 33 3HB ALA 33 -10.999 1.793 -4.523 227 H LEU 34 H LEU 34 -11.524 4.492 -3.806 228 HA LEU 34 HA LEU 34 -13.501 3.850 -1.774 229 HB2 LEU 34 2HB LEU 34 -11.020 4.802 -1.700 230 HB3 LEU 34 1HB LEU 34 -11.840 6.359 -1.810 231 HG LEU 34 HG LEU 34 -13.315 5.541 0.127 232 HD11 LEU 34 1HD1 LEU 34 -12.600 3.696 1.414 233 HD12 LEU 34 2HD1 LEU 34 -11.010 3.667 0.651 234 HD13 LEU 34 3HD1 LEU 34 -12.429 3.129 -0.248 235 HD21 LEU 34 3HD2 LEU 34 -11.188 5.824 1.735 236 HD22 LEU 34 1HD2 LEU 34 -11.851 7.182 0.827 237 HD23 LEU 34 2HD2 LEU 34 -10.434 6.325 0.222 238 H ASP 35 H ASP 35 -12.805 6.862 -3.583 239 HA ASP 35 HA ASP 35 -15.276 8.173 -2.895 240 HB2 ASP 35 2HB ASP 35 -12.965 8.968 -3.933 241 HB3 ASP 35 1HB ASP 35 -13.798 8.677 -5.460 242 H LYS 36 H LYS 36 -14.508 5.657 -5.151 243 HA LYS 36 HA LYS 36 -16.780 6.139 -6.942 244 HB2 LYS 36 2HB LYS 36 -14.331 4.835 -7.042 245 HB3 LYS 36 1HB LYS 36 -15.470 3.507 -6.952 246 HG2 LYS 36 2HG LYS 36 -16.023 3.803 -9.115 247 HG3 LYS 36 1HG LYS 36 -16.482 5.475 -8.792 248 HD2 LYS 36 2HD LYS 36 -14.696 5.379 -10.491 249 HD3 LYS 36 1HD LYS 36 -14.114 6.165 -9.024 250 HE2 LYS 36 2HE LYS 36 -12.581 4.528 -8.630 251 HE3 LYS 36 1HE LYS 36 -13.735 3.238 -9.023 252 HZ1 LYS 36 3HZ LYS 36 -12.448 5.022 -11.023 253 HZ2 LYS 36 1HZ LYS 36 -13.480 3.717 -11.353 254 HZ3 LYS 36 2HZ LYS 36 -11.943 3.435 -10.686 255 H LEU 37 H LEU 37 -15.875 3.590 -4.545 256 HA LEU 37 HA LEU 37 -18.426 2.287 -4.690 257 HB2 LEU 37 2HB LEU 37 -17.352 0.803 -3.344 258 HB3 LEU 37 1HB LEU 37 -15.942 1.833 -3.524 259 HG LEU 37 HG LEU 37 -16.897 3.146 -1.496 260 HD11 LEU 37 1HD1 LEU 37 -18.678 0.761 -1.688 261 HD12 LEU 37 2HD1 LEU 37 -19.023 2.370 -1.053 262 HD13 LEU 37 3HD1 LEU 37 -18.128 1.209 -0.074 263 HD21 LEU 37 3HD2 LEU 37 -14.890 1.844 -1.257 264 HD22 LEU 37 1HD2 LEU 37 -15.787 0.329 -1.351 265 HD23 LEU 37 2HD2 LEU 37 -15.946 1.362 0.070 266 H ALA 38 H ALA 38 -17.219 5.049 -2.907 267 HA ALA 38 HA ALA 38 -19.501 5.308 -1.113 268 HB1 ALA 38 1HB ALA 38 -18.505 7.481 -0.671 269 HB2 ALA 38 2HB ALA 38 -17.616 7.436 -2.193 270 HB3 ALA 38 3HB ALA 38 -17.179 6.340 -0.883 271 H ALA 39 H ALA 39 -18.673 6.215 -4.401 272 HA ALA 39 HA ALA 39 -20.656 8.154 -5.024 273 HB1 ALA 39 1HB ALA 39 -19.844 7.782 -7.160 274 HB2 ALA 39 2HB ALA 39 -20.006 6.032 -7.015 275 HB3 ALA 39 3HB ALA 39 -18.619 6.850 -6.300 276 H LYS 40 H LYS 40 -20.731 4.676 -5.760 277 HA LYS 40 HA LYS 40 -23.651 4.678 -6.092 278 HB2 LYS 40 2HB LYS 40 -21.303 3.050 -6.727 279 HB3 LYS 40 1HB LYS 40 -22.620 2.059 -6.102 280 HG2 LYS 40 2HG LYS 40 -22.819 2.248 -8.529 281 HG3 LYS 40 1HG LYS 40 -24.155 3.105 -7.761 282 HD2 LYS 40 2HD LYS 40 -22.732 5.215 -7.937 283 HD3 LYS 40 1HD LYS 40 -21.657 4.291 -8.986 284 HE2 LYS 40 2HE LYS 40 -23.061 5.110 -10.626 285 HE3 LYS 40 1HE LYS 40 -24.058 3.721 -10.143 286 HZ1 LYS 40 3HZ LYS 40 -24.210 6.466 -9.012 287 HZ2 LYS 40 1HZ LYS 40 -25.107 5.137 -8.461 288 HZ3 LYS 40 2HZ LYS 40 -25.361 5.740 -10.029 289 HA PRO 41 HA PRO 41 -24.559 3.659 -1.868 290 HB2 PRO 41 2HB PRO 41 -26.711 1.930 -2.340 291 HB3 PRO 41 1HB PRO 41 -26.827 3.692 -2.196 292 HG2 PRO 41 2HG PRO 41 -26.798 1.992 -4.619 293 HG3 PRO 41 1HG PRO 41 -27.622 3.530 -4.323 294 HD2 PRO 41 2HD PRO 41 -25.393 3.323 -5.848 295 HD3 PRO 41 1HD PRO 41 -25.786 4.778 -4.904 296 H SER 42 H SER 42 -25.478 1.170 -0.912 297 HA SER 42 HA SER 42 -23.160 -0.445 -0.784 298 HB2 SER 42 2HB SER 42 -26.093 -1.209 -0.577 299 HB3 SER 42 1HB SER 42 -24.755 -2.168 0.047 300 HG SER 42 HG SER 42 -25.967 0.035 1.087 301 H ASP 43 H ASP 43 -22.292 -0.740 -2.925 302 HA ASP 43 HA ASP 43 -23.971 -2.368 -4.790 303 HB2 ASP 43 2HB ASP 43 -21.933 -0.207 -5.043 304 HB3 ASP 43 1HB ASP 43 -21.984 -1.418 -6.325 305 HA PRO 44 HA PRO 44 -21.077 -5.689 -4.445 306 HB2 PRO 44 2HB PRO 44 -21.460 -6.846 -6.902 307 HB3 PRO 44 1HB PRO 44 -22.639 -6.972 -5.586 308 HG2 PRO 44 2HG PRO 44 -22.686 -5.311 -8.019 309 HG3 PRO 44 1HG PRO 44 -24.027 -6.020 -7.110 310 HD2 PRO 44 2HD PRO 44 -23.245 -3.365 -7.016 311 HD3 PRO 44 1HD PRO 44 -24.250 -4.188 -5.805 312 H ALA 45 H ALA 45 -21.141 -4.046 -7.556 313 HA ALA 45 HA ALA 45 -18.547 -4.893 -8.453 314 HB1 ALA 45 1HB ALA 45 -20.648 -4.111 -9.669 315 HB2 ALA 45 2HB ALA 45 -19.112 -3.495 -10.283 316 HB3 ALA 45 3HB ALA 45 -20.136 -2.472 -9.273 317 H LEU 46 H LEU 46 -19.644 -1.620 -7.464 318 HA LEU 46 HA LEU 46 -17.204 -0.272 -7.471 319 HB2 LEU 46 2HB LEU 46 -19.829 -0.081 -6.210 320 HB3 LEU 46 1HB LEU 46 -18.580 0.601 -5.182 321 HG LEU 46 HG LEU 46 -19.390 2.392 -6.557 322 HD11 LEU 46 1HD1 LEU 46 -16.834 2.042 -6.384 323 HD12 LEU 46 2HD1 LEU 46 -17.431 3.156 -7.614 324 HD13 LEU 46 3HD1 LEU 46 -16.931 1.531 -8.070 325 HD21 LEU 46 3HD2 LEU 46 -19.566 2.255 -8.976 326 HD22 LEU 46 1HD2 LEU 46 -20.473 0.926 -8.254 327 HD23 LEU 46 2HD2 LEU 46 -18.886 0.628 -8.965 328 H LEU 47 H LEU 47 -18.629 -1.701 -4.520 329 HA LEU 47 HA LEU 47 -16.387 -1.503 -2.814 330 HB2 LEU 47 2HB LEU 47 -18.925 -2.319 -2.604 331 HB3 LEU 47 1HB LEU 47 -18.169 -3.906 -2.730 332 HG LEU 47 HG LEU 47 -16.517 -2.751 -0.922 333 HD11 LEU 47 1HD1 LEU 47 -19.117 -1.286 -0.876 334 HD12 LEU 47 2HD1 LEU 47 -17.501 -0.719 -0.453 335 HD13 LEU 47 3HD1 LEU 47 -18.409 -1.722 0.679 336 HD21 LEU 47 3HD2 LEU 47 -18.125 -4.875 -0.932 337 HD22 LEU 47 1HD2 LEU 47 -19.110 -3.846 0.108 338 HD23 LEU 47 2HD2 LEU 47 -17.460 -4.253 0.578 339 H ALA 48 H ALA 48 -17.384 -4.287 -4.839 340 HA ALA 48 HA ALA 48 -15.208 -6.034 -4.328 341 HB1 ALA 48 1HB ALA 48 -15.780 -6.832 -6.679 342 HB2 ALA 48 2HB ALA 48 -16.890 -5.467 -6.782 343 HB3 ALA 48 3HB ALA 48 -17.153 -6.727 -5.576 344 H ALA 49 H ALA 49 -15.512 -3.243 -6.430 345 HA ALA 49 HA ALA 49 -13.138 -3.598 -7.987 346 HB1 ALA 49 1HB ALA 49 -13.699 -1.471 -8.760 347 HB2 ALA 49 2HB ALA 49 -14.224 -0.924 -7.168 348 HB3 ALA 49 3HB ALA 49 -15.244 -2.012 -8.108 349 H TYR 50 H TYR 50 -13.697 -1.406 -5.156 350 HA TYR 50 HA TYR 50 -10.996 -0.642 -4.765 351 HB2 TYR 50 2HB TYR 50 -13.014 0.303 -3.651 352 HB3 TYR 50 1HB TYR 50 -13.151 -1.168 -2.693 353 HD1 TYR 50 1HD TYR 50 -10.949 -1.845 -1.353 354 HD2 TYR 50 2HD TYR 50 -11.836 2.095 -2.794 355 HE1 TYR 50 1HE TYR 50 -9.367 -0.886 0.283 356 HE2 TYR 50 2HE TYR 50 -10.255 3.058 -1.163 357 HH TYR 50 HH TYR 50 -8.029 1.146 0.585 358 H GLN 51 H GLN 51 -12.733 -3.548 -3.639 359 HA GLN 51 HA GLN 51 -10.582 -4.547 -1.982 360 HB2 GLN 51 2HB GLN 51 -12.889 -5.909 -3.411 361 HB3 GLN 51 1HB GLN 51 -11.919 -6.646 -2.136 362 HG2 GLN 51 2HG GLN 51 -12.634 -4.949 -0.545 363 HG3 GLN 51 1HG GLN 51 -13.505 -4.083 -1.812 364 HE21 GLN 51 1HE2 GLN 51 -15.711 -4.457 -1.581 365 HE22 GLN 51 2HE2 GLN 51 -16.411 -5.949 -1.176 366 H SER 52 H SER 52 -11.662 -5.291 -5.312 367 HA SER 52 HA SER 52 -9.793 -7.220 -6.086 368 HB2 SER 52 2HB SER 52 -11.776 -6.095 -7.323 369 HB3 SER 52 1HB SER 52 -10.612 -4.865 -7.805 370 HG SER 52 HG SER 52 -10.232 -6.252 -9.355 371 H LYS 53 H LYS 53 -9.436 -3.675 -6.080 372 HA LYS 53 HA LYS 53 -6.663 -3.756 -7.010 373 HB2 LYS 53 2HB LYS 53 -8.779 -1.821 -6.372 374 HB3 LYS 53 1HB LYS 53 -7.193 -1.278 -5.825 375 HG2 LYS 53 2HG LYS 53 -6.646 -0.733 -7.933 376 HG3 LYS 53 1HG LYS 53 -6.854 -2.412 -8.423 377 HD2 LYS 53 2HD LYS 53 -9.322 -1.982 -8.635 378 HD3 LYS 53 1HD LYS 53 -9.008 -0.277 -8.323 379 HE2 LYS 53 2HE LYS 53 -7.454 -0.247 -10.296 380 HE3 LYS 53 1HE LYS 53 -7.942 -1.917 -10.649 381 HZ1 LYS 53 3HZ LYS 53 -9.293 -0.150 -11.792 382 HZ2 LYS 53 1HZ LYS 53 -9.888 0.289 -10.266 383 HZ3 LYS 53 2HZ LYS 53 -10.188 -1.267 -10.878 384 H LEU 54 H LEU 54 -8.376 -3.682 -3.947 385 HA LEU 54 HA LEU 54 -6.177 -2.974 -2.234 386 HB2 LEU 54 2HB LEU 54 -8.610 -2.934 -1.674 387 HB3 LEU 54 1HB LEU 54 -8.630 -4.696 -1.731 388 HG LEU 54 HG LEU 54 -6.700 -4.551 0.001 389 HD11 LEU 54 1HD1 LEU 54 -7.643 -1.742 -0.229 390 HD12 LEU 54 2HD1 LEU 54 -6.061 -2.363 0.240 391 HD13 LEU 54 3HD1 LEU 54 -7.381 -2.342 1.409 392 HD21 LEU 54 3HD2 LEU 54 -9.558 -3.768 0.656 393 HD22 LEU 54 1HD2 LEU 54 -8.386 -4.335 1.845 394 HD23 LEU 54 2HD2 LEU 54 -8.917 -5.407 0.549 395 H SER 55 H SER 55 -7.708 -6.200 -2.571 396 HA SER 55 HA SER 55 -5.692 -7.763 -1.401 397 HB2 SER 55 2HB SER 55 -7.527 -8.340 -3.748 398 HB3 SER 55 1HB SER 55 -6.666 -9.577 -2.836 399 HG SER 55 HG SER 55 -7.755 -8.747 -0.956 400 H GLU 56 H GLU 56 -5.911 -6.554 -4.730 401 HA GLU 56 HA GLU 56 -3.597 -7.974 -5.747 402 HB2 GLU 56 2HB GLU 56 -5.515 -6.898 -7.037 403 HB3 GLU 56 1HB GLU 56 -4.790 -5.336 -6.660 404 HG2 GLU 56 2HG GLU 56 -3.830 -5.788 -8.732 405 HG3 GLU 56 1HG GLU 56 -2.609 -6.435 -7.636 406 H TYR 57 H TYR 57 -4.157 -4.855 -4.195 407 HA TYR 57 HA TYR 57 -1.521 -3.767 -4.656 408 HB2 TYR 57 2HB TYR 57 -3.541 -2.438 -4.188 409 HB3 TYR 57 1HB TYR 57 -3.655 -3.163 -2.588 410 HD1 TYR 57 2HD TYR 57 -0.610 -2.003 -4.454 411 HD2 TYR 57 1HD TYR 57 -3.244 -1.422 -1.118 412 HE1 TYR 57 2HE TYR 57 0.959 -0.337 -3.499 413 HE2 TYR 57 1HE TYR 57 -1.676 0.243 -0.156 414 HH TYR 57 HH TYR 57 1.258 0.525 -0.697 415 H ASN 58 H ASN 58 -3.037 -5.218 -1.734 416 HA ASN 58 HA ASN 58 -0.832 -5.093 0.007 417 HB2 ASN 58 2HB ASN 58 -3.206 -6.877 -0.386 418 HB3 ASN 58 1HB ASN 58 -1.974 -7.405 0.761 419 HD21 ASN 58 1HD2 ASN 58 -4.087 -4.597 -0.003 420 HD22 ASN 58 2HD2 ASN 58 -4.159 -4.025 1.593 421 H LEU 59 H LEU 59 -1.658 -7.661 -2.348 422 HA LEU 59 HA LEU 59 0.696 -9.276 -1.861 423 HB2 LEU 59 2HB LEU 59 -1.585 -9.802 -3.025 424 HB3 LEU 59 1HB LEU 59 -0.856 -9.076 -4.455 425 HG LEU 59 HG LEU 59 -0.574 -11.538 -4.430 426 HD11 LEU 59 1HD1 LEU 59 1.577 -11.467 -5.257 427 HD12 LEU 59 2HD1 LEU 59 2.177 -10.501 -3.909 428 HD13 LEU 59 3HD1 LEU 59 1.242 -9.737 -5.194 429 HD21 LEU 59 3HD2 LEU 59 0.348 -12.702 -2.675 430 HD22 LEU 59 1HD2 LEU 59 -0.297 -11.339 -1.757 431 HD23 LEU 59 2HD2 LEU 59 1.407 -11.370 -2.212 432 H TYR 60 H TYR 60 -0.127 -6.589 -3.982 433 HA TYR 60 HA TYR 60 1.977 -6.480 -5.827 434 HB2 TYR 60 2HB TYR 60 -0.082 -4.892 -4.943 435 HB3 TYR 60 1HB TYR 60 1.313 -3.951 -4.443 436 HD1 TYR 60 2HD TYR 60 0.302 -5.994 -7.435 437 HD2 TYR 60 1HD TYR 60 1.991 -2.348 -5.929 438 HE1 TYR 60 2HE TYR 60 0.534 -5.142 -9.749 439 HE2 TYR 60 1HE TYR 60 2.218 -1.495 -8.236 440 HH TYR 60 HH TYR 60 2.461 -2.657 -10.612 441 H ARG 61 H ARG 61 1.933 -4.927 -2.601 442 HA ARG 61 HA ARG 61 4.480 -3.867 -2.413 443 HB2 ARG 61 2HB ARG 61 2.877 -5.417 -0.357 444 HB3 ARG 61 1HB ARG 61 4.229 -4.356 0.038 445 HG2 ARG 61 2HG ARG 61 2.312 -3.035 -1.721 446 HG3 ARG 61 1HG ARG 61 1.550 -3.592 -0.232 447 HD2 ARG 61 2HD ARG 61 2.358 -1.463 0.381 448 HD3 ARG 61 1HD ARG 61 3.673 -2.526 0.921 449 HE ARG 61 HE ARG 61 4.321 -2.005 -1.713 450 HH11 ARG 61 1HH2 ARG 61 3.564 -0.019 1.048 451 HH12 ARG 61 2HH2 ARG 61 4.552 1.294 0.510 452 HH21 ARG 61 1HH1 ARG 61 5.595 -0.286 -2.386 453 HH22 ARG 61 2HH1 ARG 61 5.694 1.147 -1.418 454 H ASN 62 H ASN 62 3.633 -7.300 -1.826 455 HA ASN 62 HA ASN 62 6.392 -8.048 -1.211 456 HB2 ASN 62 2HB ASN 62 3.876 -9.623 -1.857 457 HB3 ASN 62 1HB ASN 62 5.367 -10.330 -1.232 458 HD21 ASN 62 1HD2 ASN 62 2.394 -9.002 -0.274 459 HD22 ASN 62 2HD2 ASN 62 2.776 -8.687 1.350 460 H ALA 63 H ALA 63 4.155 -8.804 -3.915 461 HA ALA 63 HA ALA 63 5.894 -10.189 -5.615 462 HB1 ALA 63 1HB ALA 63 3.687 -8.189 -6.181 463 HB2 ALA 63 2HB ALA 63 3.526 -9.940 -6.039 464 HB3 ALA 63 3HB ALA 63 4.383 -9.241 -7.413 465 H GLN 64 H GLN 64 5.135 -6.719 -6.089 466 HA GLN 64 HA GLN 64 7.157 -6.080 -7.915 467 HB2 GLN 64 2HB GLN 64 5.491 -4.693 -5.906 468 HB3 GLN 64 1HB GLN 64 6.938 -3.811 -6.391 469 HG2 GLN 64 2HG GLN 64 4.889 -4.967 -8.307 470 HG3 GLN 64 1HG GLN 64 4.988 -3.270 -7.838 471 HE21 GLN 64 1HE2 GLN 64 7.773 -2.836 -7.899 472 HE22 GLN 64 2HE2 GLN 64 8.345 -3.059 -9.481 473 H SER 65 H SER 65 7.429 -6.405 -4.402 474 HA SER 65 HA SER 65 10.125 -5.296 -4.241 475 HB2 SER 65 2HB SER 65 8.188 -6.747 -2.465 476 HB3 SER 65 1HB SER 65 9.864 -6.594 -1.949 477 HG SER 65 HG SER 65 8.503 -4.844 -1.268 478 H ASN 66 H ASN 66 8.714 -8.483 -4.728 479 HA ASN 66 HA ASN 66 11.293 -9.876 -4.356 480 HB2 ASN 66 2HB ASN 66 8.424 -10.572 -4.907 481 HB3 ASN 66 1HB ASN 66 9.673 -11.781 -5.206 482 HD21 ASN 66 1HD2 ASN 66 8.566 -9.525 -2.618 483 HD22 ASN 66 2HD2 ASN 66 9.013 -10.544 -1.336 484 H THR 67 H THR 67 9.330 -8.602 -6.965 485 HA THR 67 HA THR 67 10.799 -10.116 -9.038 486 HB THR 67 HB THR 67 8.870 -7.867 -9.543 487 HG1 THR 67 1HG THR 67 8.139 -10.485 -8.738 488 HG21 THR 67 3HG2 THR 67 8.717 -10.551 -10.817 489 HG22 THR 67 1HG2 THR 67 10.123 -9.562 -11.206 490 HG23 THR 67 2HG2 THR 67 8.500 -8.953 -11.530 491 H ALA 68 H ALA 68 10.542 -6.780 -7.816 492 HA ALA 68 HA ALA 68 12.066 -5.443 -9.805 493 HB1 ALA 68 1HB ALA 68 11.949 -4.953 -6.812 494 HB2 ALA 68 2HB ALA 68 10.727 -4.423 -7.968 495 HB3 ALA 68 3HB ALA 68 12.358 -3.759 -8.043 496 H LYS 69 H LYS 69 13.136 -7.159 -6.867 497 HA LYS 69 HA LYS 69 15.888 -6.501 -6.898 498 HB2 LYS 69 2HB LYS 69 14.124 -8.653 -5.877 499 HB3 LYS 69 1HB LYS 69 15.829 -9.084 -6.007 500 HG2 LYS 69 2HG LYS 69 16.258 -6.799 -4.833 501 HG3 LYS 69 1HG LYS 69 14.560 -6.902 -4.366 502 HD2 LYS 69 2HD LYS 69 14.913 -8.666 -2.944 503 HD3 LYS 69 1HD LYS 69 16.202 -9.345 -3.940 504 HE2 LYS 69 2HE LYS 69 17.458 -7.100 -3.181 505 HE3 LYS 69 1HE LYS 69 16.367 -7.276 -1.791 506 HZ1 LYS 69 3HZ LYS 69 18.507 -8.548 -1.617 507 HZ2 LYS 69 1HZ LYS 69 17.963 -9.519 -2.897 508 HZ3 LYS 69 2HZ LYS 69 17.100 -9.483 -1.433 509 H ALA 70 H ALA 70 14.381 -9.443 -8.304 510 HA ALA 70 HA ALA 70 16.724 -10.344 -9.681 511 HB1 ALA 70 1HB ALA 70 15.134 -11.996 -9.545 512 HB2 ALA 70 2HB ALA 70 14.645 -11.356 -11.115 513 HB3 ALA 70 3HB ALA 70 13.797 -10.850 -9.654 514 H PHE 71 H PHE 71 14.190 -8.052 -10.541 515 HA PHE 71 HA PHE 71 14.631 -7.870 -13.351 516 HB2 PHE 71 2HB PHE 71 13.011 -6.719 -11.421 517 HB3 PHE 71 1HB PHE 71 13.999 -5.359 -11.951 518 HD1 PHE 71 1HD PHE 71 11.649 -7.999 -13.074 519 HD2 PHE 71 2HD PHE 71 13.776 -4.427 -14.153 520 HE1 PHE 71 1HE PHE 71 10.291 -7.815 -15.140 521 HE2 PHE 71 2HE PHE 71 12.417 -4.242 -16.220 522 HZ PHE 71 HZ PHE 71 10.675 -5.937 -16.714 523 H LYS 72 H LYS 72 15.845 -5.632 -10.819 524 HA LYS 72 HA LYS 72 17.680 -4.248 -12.519 525 HB2 LYS 72 2HB LYS 72 18.614 -3.475 -10.350 526 HB3 LYS 72 1HB LYS 72 16.852 -3.439 -10.341 527 HG2 LYS 72 2HG LYS 72 16.732 -5.470 -9.063 528 HG3 LYS 72 1HG LYS 72 18.456 -5.777 -9.278 529 HD2 LYS 72 2HD LYS 72 18.875 -3.578 -8.064 530 HD3 LYS 72 1HD LYS 72 17.161 -3.584 -7.647 531 HE2 LYS 72 2HE LYS 72 17.850 -6.125 -6.923 532 HE3 LYS 72 1HE LYS 72 19.357 -5.255 -6.572 533 HZ1 LYS 72 3HZ LYS 72 18.011 -3.549 -5.441 534 HZ2 LYS 72 1HZ LYS 72 17.891 -5.064 -4.690 535 HZ3 LYS 72 2HZ LYS 72 16.624 -4.502 -5.673 536 H ASP 73 H ASP 73 17.942 -7.301 -10.810 537 HA ASP 73 HA ASP 73 20.826 -7.521 -10.851 538 HB2 ASP 73 2HB ASP 73 18.847 -8.789 -9.588 539 HB3 ASP 73 1HB ASP 73 19.012 -9.899 -10.949 540 H ILE 74 H ILE 74 18.275 -8.905 -12.958 541 HA ILE 74 HA ILE 74 19.782 -10.396 -14.763 542 HB ILE 74 HB ILE 74 17.430 -8.535 -15.244 543 HG12 ILE 74 2HG1 ILE 74 17.183 -11.499 -15.045 544 HG13 ILE 74 1HG1 ILE 74 17.517 -10.627 -13.550 545 HG21 ILE 74 1HG2 ILE 74 17.405 -9.178 -17.403 546 HG22 ILE 74 2HG2 ILE 74 17.496 -10.878 -16.942 547 HG23 ILE 74 3HG2 ILE 74 18.974 -9.942 -17.158 548 HD11 ILE 74 3HD1 ILE 74 15.258 -10.345 -13.485 549 HD12 ILE 74 1HD1 ILE 74 15.075 -10.649 -15.213 550 HD13 ILE 74 2HD1 ILE 74 15.569 -9.054 -14.645 551 H ASP 75 H ASP 75 19.213 -6.865 -14.904 552 HA ASP 75 HA ASP 75 20.591 -6.307 -17.326 553 HB2 ASP 75 2HB ASP 75 19.923 -4.855 -14.787 554 HB3 ASP 75 1HB ASP 75 20.989 -4.069 -15.951 555 H ALA 76 H ALA 76 21.786 -6.663 -14.001 556 HA ALA 76 HA ALA 76 24.446 -5.758 -14.313 557 HB1 ALA 76 1HB ALA 76 23.871 -8.189 -12.678 558 HB2 ALA 76 2HB ALA 76 22.940 -6.734 -12.322 559 HB3 ALA 76 3HB ALA 76 24.701 -6.702 -12.221 560 H ALA 77 H ALA 77 22.937 -8.668 -15.532 561 HA ALA 77 HA ALA 77 25.548 -9.965 -16.085 562 HB1 ALA 77 1HB ALA 77 24.226 -11.879 -16.491 563 HB2 ALA 77 2HB ALA 77 22.808 -10.918 -16.910 564 HB3 ALA 77 3HB ALA 77 23.328 -11.034 -15.229 565 H ILE 78 H ILE 78 23.149 -8.001 -17.683 566 HA ILE 78 HA ILE 78 23.803 -8.859 -20.397 567 HB ILE 78 HB ILE 78 22.391 -6.395 -19.329 568 HG12 ILE 78 2HG1 ILE 78 21.199 -9.003 -20.321 569 HG13 ILE 78 1HG1 ILE 78 21.445 -8.638 -18.612 570 HG21 ILE 78 1HG2 ILE 78 22.741 -5.892 -21.562 571 HG22 ILE 78 2HG2 ILE 78 21.249 -6.824 -21.692 572 HG23 ILE 78 3HG2 ILE 78 22.800 -7.588 -22.041 573 HD11 ILE 78 3HD1 ILE 78 19.481 -7.487 -20.533 574 HD12 ILE 78 1HD1 ILE 78 20.164 -6.388 -19.334 575 HD13 ILE 78 2HD1 ILE 78 19.302 -7.835 -18.813 576 H ILE 79 H ILE 79 25.449 -6.938 -18.134 577 HA ILE 79 HA ILE 79 26.814 -5.383 -20.303 578 HB ILE 79 HB ILE 79 26.555 -4.902 -17.313 579 HG12 ILE 79 2HG1 ILE 79 25.286 -3.494 -19.689 580 HG13 ILE 79 1HG1 ILE 79 24.450 -4.603 -18.603 581 HG21 ILE 79 1HG2 ILE 79 27.392 -2.710 -19.110 582 HG22 ILE 79 2HG2 ILE 79 28.573 -4.010 -18.947 583 HG23 ILE 79 3HG2 ILE 79 28.002 -3.155 -17.515 584 HD11 ILE 79 3HD1 ILE 79 23.943 -2.414 -17.799 585 HD12 ILE 79 1HD1 ILE 79 25.622 -1.893 -17.945 586 HD13 ILE 79 2HD1 ILE 79 25.163 -3.052 -16.697 587 H GLN 80 H GLN 80 27.311 -7.362 -17.388 588 HA GLN 80 HA GLN 80 30.241 -7.418 -17.782 589 HB2 GLN 80 2HB GLN 80 28.226 -8.454 -15.797 590 HB3 GLN 80 1HB GLN 80 29.871 -9.091 -15.783 591 HG2 GLN 80 2HG GLN 80 30.703 -6.710 -15.671 592 HG3 GLN 80 1HG GLN 80 29.028 -6.201 -15.449 593 HE21 GLN 80 1HE2 GLN 80 27.869 -7.257 -13.516 594 HE22 GLN 80 2HE2 GLN 80 28.794 -7.604 -12.137 595 H ASN 81 H ASN 81 27.410 -9.445 -18.300 596 HA ASN 81 HA ASN 81 29.150 -11.595 -19.466 597 HB2 ASN 81 2HB ASN 81 26.649 -11.494 -17.853 598 HB3 ASN 81 1HB ASN 81 26.722 -12.744 -19.095 599 HD21 ASN 81 1HD2 ASN 81 28.787 -11.393 -16.453 600 HD22 ASN 81 2HD2 ASN 81 29.459 -12.890 -16.017 601 H PHE 82 H PHE 82 27.085 -9.068 -20.298 602 HA PHE 82 HA PHE 82 26.022 -8.434 -22.261 603 HB2 PHE 82 2HB PHE 82 27.181 -8.984 -24.149 604 HB3 PHE 82 1HB PHE 82 28.299 -9.680 -22.991 605 HD1 PHE 82 2HD PHE 82 25.215 -10.643 -24.936 606 HD2 PHE 82 1HD PHE 82 29.015 -11.872 -23.349 607 HE1 PHE 82 2HE PHE 82 24.966 -12.846 -26.043 608 HE2 PHE 82 1HE PHE 82 28.769 -14.069 -24.470 609 HZ PHE 82 HZ PHE 82 26.743 -14.558 -25.812 610 H ARG 83 H ARG 83 25.524 -11.623 -20.993 611 HA ARG 83 HA ARG 83 23.748 -13.141 -21.194 612 HB2 ARG 83 2HB ARG 83 22.659 -10.347 -21.084 613 HB3 ARG 83 1HB ARG 83 21.558 -11.723 -21.124 614 HG2 ARG 83 2HG ARG 83 23.818 -11.435 -19.130 615 HG3 ARG 83 1HG ARG 83 22.155 -10.954 -18.798 616 HD2 ARG 83 2HD ARG 83 23.078 -13.762 -19.525 617 HD3 ARG 83 1HD ARG 83 22.535 -13.222 -17.928 618 HE ARG 83 HE ARG 83 20.812 -13.722 -20.247 619 HH11 ARG 83 1HH2 ARG 83 21.184 -12.026 -17.222 620 HH12 ARG 83 2HH2 ARG 83 19.481 -11.864 -16.982 621 HH21 ARG 83 1HH1 ARG 83 18.609 -13.488 -19.909 622 HH22 ARG 83 2HH1 ARG 83 18.033 -12.679 -18.490 Start of MODEL 24 1 H1 GLY 1 1HT GLY 1 23.451 5.069 -28.413 2 H2 GLY 1 2HT GLY 1 24.704 5.781 -27.513 3 H3 GLY 1 3HT GLY 1 24.362 6.332 -29.083 4 HA2 GLY 1 2HA GLY 1 23.391 7.944 -27.753 5 HA3 GLY 1 1HA GLY 1 22.049 6.882 -28.182 6 H SER 2 H SER 2 23.487 8.404 -25.614 7 HA SER 2 HA SER 2 22.844 6.281 -23.627 8 HB2 SER 2 2HB SER 2 24.932 7.966 -23.850 9 HB3 SER 2 1HB SER 2 23.868 8.982 -22.882 10 HG SER 2 HG SER 2 25.377 7.334 -21.840 11 H HIS 3 H HIS 3 20.553 7.258 -24.884 12 HA HIS 3 HA HIS 3 19.400 9.470 -23.329 13 HB2 HIS 3 2HB HIS 3 18.484 7.570 -25.493 14 HB3 HIS 3 1HB HIS 3 17.360 8.692 -24.726 15 HD1 HIS 3 1HD HIS 3 17.151 10.027 -26.986 16 HD2 HIS 3 2HD HIS 3 20.988 9.994 -25.356 17 HE1 HIS 3 1HE HIS 3 18.463 11.818 -28.205 18 H MET 4 H MET 4 19.703 8.332 -21.189 19 HA MET 4 HA MET 4 18.865 7.078 -19.369 20 HB2 MET 4 2HB MET 4 16.537 7.794 -21.121 21 HB3 MET 4 1HB MET 4 16.257 6.750 -19.729 22 HG2 MET 4 2HG MET 4 16.861 8.396 -18.198 23 HG3 MET 4 1HG MET 4 17.858 9.261 -19.367 24 HE1 MET 4 3HE MET 4 17.261 10.432 -21.156 25 HE2 MET 4 1HE MET 4 16.797 11.782 -20.110 26 HE3 MET 4 2HE MET 4 15.767 11.315 -21.461 27 H ALA 5 H ALA 5 20.247 5.273 -20.474 28 HA ALA 5 HA ALA 5 18.685 2.815 -20.482 29 HB1 ALA 5 1HB ALA 5 18.079 3.355 -22.684 30 HB2 ALA 5 2HB ALA 5 19.521 2.369 -22.935 31 HB3 ALA 5 3HB ALA 5 19.628 4.128 -23.020 32 H THR 6 H THR 6 20.978 3.788 -19.037 33 HA THR 6 HA THR 6 23.317 2.362 -20.182 34 HB THR 6 HB THR 6 24.327 3.397 -18.024 35 HG1 THR 6 1HG THR 6 22.827 4.146 -16.774 36 HG21 THR 6 3HG2 THR 6 24.530 5.571 -19.097 37 HG22 THR 6 1HG2 THR 6 23.099 5.254 -20.078 38 HG23 THR 6 2HG2 THR 6 24.571 4.316 -20.335 39 HA PRO 7 HA PRO 7 22.824 -1.307 -17.802 40 HB2 PRO 7 2HB PRO 7 25.670 -1.132 -17.000 41 HB3 PRO 7 1HB PRO 7 24.839 -2.395 -17.925 42 HG2 PRO 7 2HG PRO 7 26.551 -0.664 -19.060 43 HG3 PRO 7 1HG PRO 7 25.158 -1.337 -19.919 44 HD2 PRO 7 2HD PRO 7 25.548 1.384 -18.795 45 HD3 PRO 7 1HD PRO 7 24.622 0.863 -20.220 46 H TRP 8 H TRP 8 24.061 -2.082 -15.462 47 HA TRP 8 HA TRP 8 23.521 -1.849 -13.155 48 HB2 TRP 8 2HB TRP 8 24.973 0.335 -12.436 49 HB3 TRP 8 1HB TRP 8 25.676 -1.233 -12.796 50 HD1 TRP 8 HD TRP 8 24.896 2.117 -14.548 51 HE1 TRP 8 1HE TRP 8 26.634 2.469 -16.420 52 HE3 TRP 8 3HE TRP 8 27.437 -2.298 -14.228 53 HZ2 TRP 8 2HZ TRP 8 28.817 1.060 -17.618 54 HZ3 TRP 8 3HZ TRP 8 29.343 -2.764 -15.740 55 HH2 TRP 8 HH TRP 8 30.036 -1.092 -17.434 56 H SER 9 H SER 9 21.194 -1.210 -13.684 57 HA SER 9 HA SER 9 20.669 1.463 -12.469 58 HB2 SER 9 2HB SER 9 18.830 1.615 -14.298 59 HB3 SER 9 1HB SER 9 20.496 1.911 -14.786 60 HG SER 9 HG SER 9 19.814 0.439 -16.219 61 H GLY 10 H GLY 10 18.279 -0.670 -13.983 62 HA2 GLY 10 2HA GLY 10 16.575 -1.982 -13.061 63 HA3 GLY 10 1HA GLY 10 17.579 -2.144 -11.619 64 H TYR 11 H TYR 11 17.638 -0.137 -10.210 65 HA TYR 11 HA TYR 11 14.868 0.755 -9.737 66 HB2 TYR 11 2HB TYR 11 17.477 0.664 -8.307 67 HB3 TYR 11 1HB TYR 11 16.336 1.908 -7.794 68 HD1 TYR 11 2HD TYR 11 16.735 -1.753 -8.343 69 HD2 TYR 11 1HD TYR 11 14.389 1.360 -6.538 70 HE1 TYR 11 2HE TYR 11 15.437 -3.457 -7.092 71 HE2 TYR 11 1HE TYR 11 13.091 -0.343 -5.288 72 HH TYR 11 HH TYR 11 12.534 -2.699 -5.432 73 H LEU 12 H LEU 12 17.674 2.011 -11.308 74 HA LEU 12 HA LEU 12 17.466 4.800 -10.814 75 HB2 LEU 12 2HB LEU 12 18.521 2.983 -12.920 76 HB3 LEU 12 1HB LEU 12 18.310 4.671 -13.385 77 HG LEU 12 HG LEU 12 19.606 5.338 -11.346 78 HD11 LEU 12 1HD1 LEU 12 19.619 2.365 -11.031 79 HD12 LEU 12 2HD1 LEU 12 19.508 3.622 -9.800 80 HD13 LEU 12 3HD1 LEU 12 21.062 3.252 -10.546 81 HD21 LEU 12 3HD2 LEU 12 21.826 4.298 -12.236 82 HD22 LEU 12 1HD2 LEU 12 20.896 5.335 -13.318 83 HD23 LEU 12 2HD2 LEU 12 20.805 3.581 -13.484 84 H ASP 13 H ASP 13 15.469 2.676 -12.768 85 HA ASP 13 HA ASP 13 13.417 4.710 -13.097 86 HB2 ASP 13 2HB ASP 13 15.428 5.121 -14.772 87 HB3 ASP 13 1HB ASP 13 14.662 3.816 -15.680 88 H ASP 14 H ASP 14 14.775 1.646 -14.295 89 HA ASP 14 HA ASP 14 12.507 0.463 -15.459 90 HB2 ASP 14 2HB ASP 14 15.027 -0.372 -14.180 91 HB3 ASP 14 1HB ASP 14 13.778 -1.617 -14.217 92 H VAL 15 H VAL 15 13.565 -0.700 -12.336 93 HA VAL 15 HA VAL 15 11.139 -1.777 -11.466 94 HB VAL 15 HB VAL 15 13.354 -0.451 -9.888 95 HG11 VAL 15 1HG1 VAL 15 12.655 -2.218 -8.195 96 HG12 VAL 15 2HG1 VAL 15 11.198 -2.431 -9.168 97 HG13 VAL 15 3HG1 VAL 15 11.540 -0.871 -8.418 98 HG21 VAL 15 3HG2 VAL 15 13.398 -3.356 -10.112 99 HG22 VAL 15 1HG2 VAL 15 14.672 -2.189 -10.465 100 HG23 VAL 15 2HG2 VAL 15 13.474 -2.586 -11.696 101 H SER 16 H SER 16 12.350 1.523 -11.046 102 HA SER 16 HA SER 16 10.511 2.547 -9.200 103 HB2 SER 16 2HB SER 16 12.311 3.875 -9.888 104 HB3 SER 16 1HB SER 16 11.973 3.612 -11.596 105 HG SER 16 HG SER 16 11.342 5.716 -10.534 106 H ALA 17 H ALA 17 10.001 1.897 -12.659 107 HA ALA 17 HA ALA 17 7.448 3.292 -12.825 108 HB1 ALA 17 1HB ALA 17 7.565 2.631 -15.040 109 HB2 ALA 17 2HB ALA 17 8.193 1.034 -14.636 110 HB3 ALA 17 3HB ALA 17 9.261 2.437 -14.597 111 H LYS 18 H LYS 18 8.430 -0.066 -12.232 112 HA LYS 18 HA LYS 18 5.610 -0.982 -12.081 113 HB2 LYS 18 2HB LYS 18 8.273 -2.378 -11.640 114 HB3 LYS 18 1HB LYS 18 6.709 -3.182 -11.764 115 HG2 LYS 18 2HG LYS 18 7.911 -1.448 -13.941 116 HG3 LYS 18 1HG LYS 18 7.999 -3.210 -13.911 117 HD2 LYS 18 2HD LYS 18 5.501 -3.289 -13.838 118 HD3 LYS 18 1HD LYS 18 5.475 -1.534 -14.013 119 HE2 LYS 18 2HE LYS 18 7.128 -2.988 -16.010 120 HE3 LYS 18 1HE LYS 18 5.372 -3.206 -16.145 121 HZ1 LYS 18 3HZ LYS 18 6.751 -0.587 -15.869 122 HZ2 LYS 18 1HZ LYS 18 5.081 -0.823 -16.046 123 HZ3 LYS 18 2HZ LYS 18 6.132 -1.210 -17.324 124 H PHE 19 H PHE 19 8.266 -0.085 -10.014 125 HA PHE 19 HA PHE 19 6.969 -1.121 -7.566 126 HB2 PHE 19 2HB PHE 19 9.548 -0.921 -8.446 127 HB3 PHE 19 1HB PHE 19 9.425 0.541 -7.468 128 HD1 PHE 19 2HD PHE 19 8.034 0.087 -5.167 129 HD2 PHE 19 1HD PHE 19 10.330 -2.808 -7.354 130 HE1 PHE 19 2HE PHE 19 8.273 -1.274 -3.107 131 HE2 PHE 19 1HE PHE 19 10.572 -4.170 -5.294 132 HZ PHE 19 HZ PHE 19 9.543 -3.404 -3.171 133 H ASP 20 H ASP 20 8.385 2.043 -8.579 134 HA ASP 20 HA ASP 20 6.967 3.517 -6.531 135 HB2 ASP 20 2HB ASP 20 9.023 3.920 -8.428 136 HB3 ASP 20 1HB ASP 20 7.773 5.098 -8.829 137 H THR 21 H THR 21 6.636 4.055 -10.054 138 HA THR 21 HA THR 21 4.043 5.214 -9.918 139 HB THR 21 HB THR 21 5.077 3.570 -12.232 140 HG1 THR 21 1HG THR 21 6.470 5.218 -12.703 141 HG21 THR 21 3HG2 THR 21 3.473 6.112 -11.915 142 HG22 THR 21 1HG2 THR 21 2.967 4.598 -12.666 143 HG23 THR 21 2HG2 THR 21 4.171 5.615 -13.457 144 H GLY 22 H GLY 22 5.044 1.833 -10.407 145 HA2 GLY 22 2HA GLY 22 2.490 0.713 -10.942 146 HA3 GLY 22 1HA GLY 22 3.834 -0.167 -10.218 147 H VAL 23 H VAL 23 4.209 0.553 -7.797 148 HA VAL 23 HA VAL 23 1.906 -0.257 -6.314 149 HB VAL 23 HB VAL 23 4.384 1.247 -5.436 150 HG11 VAL 23 1HG1 VAL 23 2.737 -0.697 -3.827 151 HG12 VAL 23 2HG1 VAL 23 2.382 1.030 -3.837 152 HG13 VAL 23 3HG1 VAL 23 3.942 0.455 -3.250 153 HG21 VAL 23 3HG2 VAL 23 5.564 -0.697 -5.609 154 HG22 VAL 23 1HG2 VAL 23 4.297 -1.177 -6.738 155 HG23 VAL 23 2HG2 VAL 23 4.207 -1.674 -5.049 156 H ASP 24 H ASP 24 3.273 2.988 -6.933 157 HA ASP 24 HA ASP 24 1.534 4.490 -5.239 158 HB2 ASP 24 2HB ASP 24 2.962 5.044 -7.852 159 HB3 ASP 24 1HB ASP 24 2.048 6.295 -7.011 160 H ASN 25 H ASN 25 1.173 3.337 -8.580 161 HA ASN 25 HA ASN 25 -1.352 4.586 -9.146 162 HB2 ASN 25 2HB ASN 25 0.331 2.345 -10.185 163 HB3 ASN 25 1HB ASN 25 -1.357 2.382 -10.695 164 HD21 ASN 25 1HD2 ASN 25 0.894 5.120 -10.054 165 HD22 ASN 25 2HD2 ASN 25 0.758 5.790 -11.607 166 H LEU 26 H LEU 26 -0.459 1.413 -7.773 167 HA LEU 26 HA LEU 26 -3.159 0.413 -7.520 168 HB2 LEU 26 2HB LEU 26 -0.473 -0.403 -6.999 169 HB3 LEU 26 1HB LEU 26 -1.378 -0.615 -5.504 170 HG LEU 26 HG LEU 26 -2.257 -1.657 -8.201 171 HD11 LEU 26 1HD1 LEU 26 -1.797 -3.870 -6.759 172 HD12 LEU 26 2HD1 LEU 26 -0.600 -2.807 -6.021 173 HD13 LEU 26 3HD1 LEU 26 -0.551 -3.119 -7.754 174 HD21 LEU 26 3HD2 LEU 26 -3.491 -3.018 -6.053 175 HD22 LEU 26 1HD2 LEU 26 -4.253 -1.915 -7.198 176 HD23 LEU 26 2HD2 LEU 26 -3.607 -1.300 -5.678 177 H GLN 27 H GLN 27 -1.123 2.477 -5.515 178 HA GLN 27 HA GLN 27 -2.770 2.279 -3.121 179 HB2 GLN 27 2HB GLN 27 -0.236 3.041 -3.686 180 HB3 GLN 27 1HB GLN 27 -1.012 4.626 -3.631 181 HG2 GLN 27 2HG GLN 27 -1.611 2.666 -1.446 182 HG3 GLN 27 1HG GLN 27 -0.065 3.517 -1.417 183 HE21 GLN 27 1HE2 GLN 27 -0.175 5.952 -1.437 184 HE22 GLN 27 2HE2 GLN 27 -1.546 6.721 -0.794 185 H THR 28 H THR 28 -2.576 4.491 -5.895 186 HA THR 28 HA THR 28 -4.547 6.338 -4.722 187 HB THR 28 HB THR 28 -2.580 6.973 -6.191 188 HG1 THR 28 1HG THR 28 -3.750 8.559 -7.190 189 HG21 THR 28 3HG2 THR 28 -2.733 5.165 -7.832 190 HG22 THR 28 1HG2 THR 28 -2.904 6.721 -8.643 191 HG23 THR 28 2HG2 THR 28 -4.327 5.727 -8.335 192 H GLN 29 H GLN 29 -4.527 3.595 -6.919 193 HA GLN 29 HA GLN 29 -7.000 4.055 -8.266 194 HB2 GLN 29 2HB GLN 29 -5.027 2.018 -8.018 195 HB3 GLN 29 1HB GLN 29 -6.584 1.260 -7.704 196 HG2 GLN 29 2HG GLN 29 -5.810 2.874 -10.150 197 HG3 GLN 29 1HG GLN 29 -6.164 1.150 -10.088 198 HE21 GLN 29 1HE2 GLN 29 -8.505 1.616 -8.186 199 HE22 GLN 29 2HE2 GLN 29 -9.734 2.256 -9.161 200 H VAL 30 H VAL 30 -6.345 2.223 -5.233 201 HA VAL 30 HA VAL 30 -9.114 1.607 -4.757 202 HB VAL 30 HB VAL 30 -8.143 1.668 -2.236 203 HG11 VAL 30 1HG1 VAL 30 -7.043 -0.637 -3.631 204 HG12 VAL 30 2HG1 VAL 30 -8.667 -0.248 -4.195 205 HG13 VAL 30 3HG1 VAL 30 -8.378 -0.551 -2.483 206 HG21 VAL 30 3HG2 VAL 30 -5.666 0.973 -3.790 207 HG22 VAL 30 1HG2 VAL 30 -5.833 1.348 -2.074 208 HG23 VAL 30 2HG2 VAL 30 -5.954 2.635 -3.274 209 H THR 31 H THR 31 -7.134 4.449 -4.121 210 HA THR 31 HA THR 31 -8.897 5.816 -2.321 211 HB THR 31 HB THR 31 -7.311 7.122 -4.544 212 HG1 THR 31 1HG THR 31 -5.521 6.901 -3.052 213 HG21 THR 31 3HG2 THR 31 -7.617 7.847 -1.623 214 HG22 THR 31 1HG2 THR 31 -8.700 8.439 -2.882 215 HG23 THR 31 2HG2 THR 31 -6.988 8.862 -2.921 216 H GLU 32 H GLU 32 -8.667 5.757 -5.893 217 HA GLU 32 HA GLU 32 -10.990 7.368 -6.442 218 HB2 GLU 32 2HB GLU 32 -9.793 5.016 -7.969 219 HB3 GLU 32 1HB GLU 32 -10.862 6.241 -8.647 220 HG2 GLU 32 2HG GLU 32 -8.121 6.767 -7.472 221 HG3 GLU 32 1HG GLU 32 -8.500 6.697 -9.191 222 H ALA 33 H ALA 33 -10.436 3.861 -6.250 223 HA ALA 33 HA ALA 33 -13.057 2.870 -6.506 224 HB1 ALA 33 1HB ALA 33 -10.798 1.660 -6.285 225 HB2 ALA 33 2HB ALA 33 -12.134 0.916 -5.409 226 HB3 ALA 33 3HB ALA 33 -10.951 1.891 -4.547 227 H LEU 34 H LEU 34 -11.528 4.573 -3.836 228 HA LEU 34 HA LEU 34 -13.490 3.902 -1.798 229 HB2 LEU 34 2HB LEU 34 -11.019 4.875 -1.729 230 HB3 LEU 34 1HB LEU 34 -11.850 6.427 -1.841 231 HG LEU 34 HG LEU 34 -13.317 5.595 0.099 232 HD11 LEU 34 1HD1 LEU 34 -12.581 3.763 1.389 233 HD12 LEU 34 2HD1 LEU 34 -10.988 3.755 0.631 234 HD13 LEU 34 3HD1 LEU 34 -12.397 3.195 -0.270 235 HD21 LEU 34 3HD2 LEU 34 -11.753 6.417 1.722 236 HD22 LEU 34 1HD2 LEU 34 -11.385 7.259 0.217 237 HD23 LEU 34 2HD2 LEU 34 -10.375 5.913 0.744 238 H ASP 35 H ASP 35 -12.835 6.929 -3.598 239 HA ASP 35 HA ASP 35 -15.318 8.206 -2.901 240 HB2 ASP 35 2HB ASP 35 -13.115 8.535 -4.904 241 HB3 ASP 35 1HB ASP 35 -14.603 9.447 -5.162 242 H LYS 36 H LYS 36 -14.524 5.706 -5.169 243 HA LYS 36 HA LYS 36 -16.808 6.159 -6.948 244 HB2 LYS 36 2HB LYS 36 -14.348 4.880 -7.057 245 HB3 LYS 36 1HB LYS 36 -15.473 3.540 -6.956 246 HG2 LYS 36 2HG LYS 36 -16.038 3.820 -9.116 247 HG3 LYS 36 1HG LYS 36 -16.518 5.487 -8.797 248 HD2 LYS 36 2HD LYS 36 -14.743 5.415 -10.505 249 HD3 LYS 36 1HD LYS 36 -14.160 6.208 -9.041 250 HE2 LYS 36 2HE LYS 36 -12.607 4.588 -8.655 251 HE3 LYS 36 1HE LYS 36 -13.746 3.285 -9.048 252 HZ1 LYS 36 3HZ LYS 36 -13.471 3.681 -11.355 253 HZ2 LYS 36 1HZ LYS 36 -11.909 3.590 -10.701 254 HZ3 LYS 36 2HZ LYS 36 -12.581 5.102 -11.085 255 H LEU 37 H LEU 37 -15.872 3.622 -4.546 256 HA LEU 37 HA LEU 37 -18.414 2.298 -4.684 257 HB2 LEU 37 2HB LEU 37 -17.321 0.826 -3.341 258 HB3 LEU 37 1HB LEU 37 -15.924 1.874 -3.510 259 HG LEU 37 HG LEU 37 -16.902 3.169 -1.485 260 HD11 LEU 37 1HD1 LEU 37 -19.027 2.381 -1.057 261 HD12 LEU 37 2HD1 LEU 37 -18.133 1.219 -0.077 262 HD13 LEU 37 3HD1 LEU 37 -18.669 0.776 -1.697 263 HD21 LEU 37 3HD2 LEU 37 -15.690 0.404 -1.438 264 HD22 LEU 37 1HD2 LEU 37 -16.021 1.262 0.067 265 HD23 LEU 37 2HD2 LEU 37 -14.910 1.952 -1.115 266 H ALA 38 H ALA 38 -17.225 5.072 -2.910 267 HA ALA 38 HA ALA 38 -19.518 5.324 -1.126 268 HB1 ALA 38 1HB ALA 38 -17.542 6.463 -0.474 269 HB2 ALA 38 2HB ALA 38 -18.540 7.761 -1.128 270 HB3 ALA 38 3HB ALA 38 -17.248 7.064 -2.106 271 H ALA 39 H ALA 39 -18.649 6.253 -4.398 272 HA ALA 39 HA ALA 39 -20.612 8.199 -5.042 273 HB1 ALA 39 1HB ALA 39 -19.957 6.061 -7.017 274 HB2 ALA 39 2HB ALA 39 -18.576 6.888 -6.300 275 HB3 ALA 39 3HB ALA 39 -19.798 7.810 -7.176 276 H LYS 40 H LYS 40 -20.713 4.719 -5.762 277 HA LYS 40 HA LYS 40 -23.633 4.752 -6.113 278 HB2 LYS 40 2HB LYS 40 -21.295 3.103 -6.745 279 HB3 LYS 40 1HB LYS 40 -22.630 2.123 -6.139 280 HG2 LYS 40 2HG LYS 40 -22.807 2.333 -8.566 281 HG3 LYS 40 1HG LYS 40 -24.138 3.204 -7.802 282 HD2 LYS 40 2HD LYS 40 -23.254 5.289 -8.323 283 HD3 LYS 40 1HD LYS 40 -21.599 4.683 -8.398 284 HE2 LYS 40 2HE LYS 40 -23.619 3.697 -10.401 285 HE3 LYS 40 1HE LYS 40 -22.825 5.265 -10.647 286 HZ1 LYS 40 3HZ LYS 40 -21.516 3.460 -11.608 287 HZ2 LYS 40 1HZ LYS 40 -21.437 2.694 -10.097 288 HZ3 LYS 40 2HZ LYS 40 -20.683 4.200 -10.326 289 HA PRO 41 HA PRO 41 -24.563 3.727 -1.891 290 HB2 PRO 41 2HB PRO 41 -26.669 1.918 -2.927 291 HB3 PRO 41 1HB PRO 41 -26.827 3.338 -1.876 292 HG2 PRO 41 2HG PRO 41 -27.602 3.348 -4.452 293 HG3 PRO 41 1HG PRO 41 -26.986 4.787 -3.628 294 HD2 PRO 41 2HD PRO 41 -25.660 3.053 -5.638 295 HD3 PRO 41 1HD PRO 41 -25.465 4.793 -5.331 296 H SER 42 H SER 42 -25.484 1.239 -0.940 297 HA SER 42 HA SER 42 -23.170 -0.380 -0.807 298 HB2 SER 42 2HB SER 42 -25.007 -0.605 0.750 299 HB3 SER 42 1HB SER 42 -26.131 -0.997 -0.549 300 HG SER 42 HG SER 42 -25.380 -2.981 -0.606 301 H ASP 43 H ASP 43 -22.297 -0.672 -2.945 302 HA ASP 43 HA ASP 43 -23.975 -2.284 -4.825 303 HB2 ASP 43 2HB ASP 43 -21.891 -0.161 -5.058 304 HB3 ASP 43 1HB ASP 43 -21.979 -1.358 -6.351 305 HA PRO 44 HA PRO 44 -21.124 -5.641 -4.458 306 HB2 PRO 44 2HB PRO 44 -21.513 -6.799 -6.914 307 HB3 PRO 44 1HB PRO 44 -22.701 -6.904 -5.603 308 HG2 PRO 44 2HG PRO 44 -22.709 -5.247 -8.040 309 HG3 PRO 44 1HG PRO 44 -24.065 -5.937 -7.139 310 HD2 PRO 44 2HD PRO 44 -23.250 -3.292 -7.044 311 HD3 PRO 44 1HD PRO 44 -24.272 -4.100 -5.837 312 H ALA 45 H ALA 45 -21.151 -3.983 -7.562 313 HA ALA 45 HA ALA 45 -18.558 -4.872 -8.442 314 HB1 ALA 45 1HB ALA 45 -20.016 -2.412 -9.341 315 HB2 ALA 45 2HB ALA 45 -20.712 -4.009 -9.612 316 HB3 ALA 45 3HB ALA 45 -19.145 -3.599 -10.311 317 H LEU 46 H LEU 46 -19.649 -1.595 -7.463 318 HA LEU 46 HA LEU 46 -17.203 -0.250 -7.472 319 HB2 LEU 46 2HB LEU 46 -19.831 -0.053 -6.214 320 HB3 LEU 46 1HB LEU 46 -18.581 0.630 -5.189 321 HG LEU 46 HG LEU 46 -19.392 2.418 -6.568 322 HD11 LEU 46 1HD1 LEU 46 -16.837 2.067 -6.390 323 HD12 LEU 46 2HD1 LEU 46 -17.432 3.179 -7.623 324 HD13 LEU 46 3HD1 LEU 46 -16.930 1.554 -8.075 325 HD21 LEU 46 3HD2 LEU 46 -19.218 0.362 -8.747 326 HD22 LEU 46 1HD2 LEU 46 -19.143 2.078 -9.150 327 HD23 LEU 46 2HD2 LEU 46 -20.558 1.426 -8.323 328 H LEU 47 H LEU 47 -18.644 -1.684 -4.533 329 HA LEU 47 HA LEU 47 -16.404 -1.495 -2.817 330 HB2 LEU 47 2HB LEU 47 -18.946 -2.278 -2.600 331 HB3 LEU 47 1HB LEU 47 -18.218 -3.877 -2.747 332 HG LEU 47 HG LEU 47 -16.541 -2.787 -0.932 333 HD11 LEU 47 1HD1 LEU 47 -17.473 -0.714 -0.488 334 HD12 LEU 47 2HD1 LEU 47 -18.351 -1.690 0.690 335 HD13 LEU 47 3HD1 LEU 47 -19.112 -1.260 -0.842 336 HD21 LEU 47 3HD2 LEU 47 -17.787 -4.916 -0.726 337 HD22 LEU 47 1HD2 LEU 47 -19.252 -4.016 -0.333 338 HD23 LEU 47 2HD2 LEU 47 -17.876 -3.984 0.769 339 H ALA 48 H ALA 48 -17.413 -4.242 -4.881 340 HA ALA 48 HA ALA 48 -15.260 -6.023 -4.359 341 HB1 ALA 48 1HB ALA 48 -17.190 -6.707 -5.623 342 HB2 ALA 48 2HB ALA 48 -15.822 -6.782 -6.735 343 HB3 ALA 48 3HB ALA 48 -16.942 -5.420 -6.804 344 H ALA 49 H ALA 49 -15.521 -3.203 -6.424 345 HA ALA 49 HA ALA 49 -13.144 -3.574 -7.976 346 HB1 ALA 49 1HB ALA 49 -13.687 -1.441 -8.745 347 HB2 ALA 49 2HB ALA 49 -14.222 -0.899 -7.154 348 HB3 ALA 49 3HB ALA 49 -15.239 -1.978 -8.106 349 H TYR 50 H TYR 50 -13.696 -1.368 -5.153 350 HA TYR 50 HA TYR 50 -10.984 -0.641 -4.751 351 HB2 TYR 50 2HB TYR 50 -13.010 0.333 -3.659 352 HB3 TYR 50 1HB TYR 50 -13.148 -1.121 -2.678 353 HD1 TYR 50 1HD TYR 50 -10.943 -1.785 -1.337 354 HD2 TYR 50 2HD TYR 50 -11.827 2.137 -2.829 355 HE1 TYR 50 1HE TYR 50 -9.356 -0.804 0.284 356 HE2 TYR 50 2HE TYR 50 -10.240 3.120 -1.216 357 HH TYR 50 HH TYR 50 -8.998 1.393 1.414 358 H GLN 51 H GLN 51 -12.774 -3.508 -3.613 359 HA GLN 51 HA GLN 51 -10.650 -4.538 -1.935 360 HB2 GLN 51 2HB GLN 51 -13.013 -5.813 -3.356 361 HB3 GLN 51 1HB GLN 51 -12.031 -6.633 -2.139 362 HG2 GLN 51 2HG GLN 51 -12.596 -4.840 -0.511 363 HG3 GLN 51 1HG GLN 51 -13.641 -4.097 -1.723 364 HE21 GLN 51 1HE2 GLN 51 -15.539 -5.421 -2.470 365 HE22 GLN 51 2HE2 GLN 51 -16.189 -6.597 -1.435 366 H SER 52 H SER 52 -11.723 -5.271 -5.271 367 HA SER 52 HA SER 52 -9.886 -7.245 -6.019 368 HB2 SER 52 2HB SER 52 -11.825 -6.173 -7.306 369 HB3 SER 52 1HB SER 52 -10.720 -4.863 -7.709 370 HG SER 52 HG SER 52 -9.649 -6.160 -9.013 371 H LYS 53 H LYS 53 -9.477 -3.714 -6.001 372 HA LYS 53 HA LYS 53 -6.728 -3.768 -6.962 373 HB2 LYS 53 2HB LYS 53 -8.805 -1.897 -6.427 374 HB3 LYS 53 1HB LYS 53 -7.450 -1.432 -5.403 375 HG2 LYS 53 2HG LYS 53 -6.357 -0.584 -7.171 376 HG3 LYS 53 1HG LYS 53 -6.437 -2.137 -8.000 377 HD2 LYS 53 2HD LYS 53 -8.948 -0.536 -7.931 378 HD3 LYS 53 1HD LYS 53 -7.645 0.067 -8.959 379 HE2 LYS 53 2HE LYS 53 -7.660 -1.831 -10.333 380 HE3 LYS 53 1HE LYS 53 -8.412 -2.845 -9.083 381 HZ1 LYS 53 3HZ LYS 53 -10.435 -1.616 -9.271 382 HZ2 LYS 53 1HZ LYS 53 -9.989 -2.100 -10.834 383 HZ3 LYS 53 2HZ LYS 53 -9.732 -0.496 -10.337 384 H LEU 54 H LEU 54 -8.359 -3.818 -3.848 385 HA LEU 54 HA LEU 54 -6.130 -3.281 -2.135 386 HB2 LEU 54 2HB LEU 54 -8.717 -3.467 -1.755 387 HB3 LEU 54 1HB LEU 54 -8.383 -5.176 -1.485 388 HG LEU 54 HG LEU 54 -6.536 -4.320 0.139 389 HD11 LEU 54 1HD1 LEU 54 -6.363 -2.056 0.095 390 HD12 LEU 54 2HD1 LEU 54 -7.806 -2.074 1.107 391 HD13 LEU 54 3HD1 LEU 54 -7.955 -1.857 -0.638 392 HD21 LEU 54 3HD2 LEU 54 -8.256 -5.457 1.202 393 HD22 LEU 54 1HD2 LEU 54 -9.505 -4.422 0.512 394 HD23 LEU 54 2HD2 LEU 54 -8.522 -3.841 1.857 395 H SER 55 H SER 55 -7.661 -6.469 -2.715 396 HA SER 55 HA SER 55 -5.707 -8.137 -1.628 397 HB2 SER 55 2HB SER 55 -7.785 -8.302 -3.741 398 HB3 SER 55 1HB SER 55 -6.583 -9.588 -3.751 399 HG SER 55 HG SER 55 -8.363 -8.814 -1.697 400 H GLU 56 H GLU 56 -5.720 -6.616 -4.833 401 HA GLU 56 HA GLU 56 -3.338 -8.005 -5.791 402 HB2 GLU 56 2HB GLU 56 -5.245 -6.938 -7.133 403 HB3 GLU 56 1HB GLU 56 -4.527 -5.378 -6.728 404 HG2 GLU 56 2HG GLU 56 -3.479 -5.814 -8.754 405 HG3 GLU 56 1HG GLU 56 -2.316 -6.512 -7.626 406 H TYR 57 H TYR 57 -4.060 -4.959 -4.167 407 HA TYR 57 HA TYR 57 -1.431 -3.786 -4.492 408 HB2 TYR 57 2HB TYR 57 -3.522 -2.529 -4.114 409 HB3 TYR 57 1HB TYR 57 -3.679 -3.268 -2.526 410 HD1 TYR 57 2HD TYR 57 -0.572 -2.021 -4.219 411 HD2 TYR 57 1HD TYR 57 -3.427 -1.487 -1.061 412 HE1 TYR 57 2HE TYR 57 0.884 -0.299 -3.187 413 HE2 TYR 57 1HE TYR 57 -1.974 0.235 -0.025 414 HH TYR 57 HH TYR 57 0.979 0.603 -0.384 415 H ASN 58 H ASN 58 -3.073 -5.189 -1.615 416 HA ASN 58 HA ASN 58 -0.923 -5.093 0.192 417 HB2 ASN 58 2HB ASN 58 -3.153 -7.111 -0.233 418 HB3 ASN 58 1HB ASN 58 -2.112 -7.125 1.191 419 HD21 ASN 58 1HD2 ASN 58 -3.838 -6.510 2.663 420 HD22 ASN 58 2HD2 ASN 58 -4.522 -4.957 2.637 421 H LEU 59 H LEU 59 -1.704 -7.583 -2.237 422 HA LEU 59 HA LEU 59 0.556 -9.305 -1.630 423 HB2 LEU 59 2HB LEU 59 -1.691 -9.750 -2.890 424 HB3 LEU 59 1HB LEU 59 -0.877 -9.047 -4.285 425 HG LEU 59 HG LEU 59 -0.679 -11.518 -4.257 426 HD11 LEU 59 1HD1 LEU 59 1.227 -9.780 -4.937 427 HD12 LEU 59 2HD1 LEU 59 1.509 -11.521 -4.985 428 HD13 LEU 59 3HD1 LEU 59 2.079 -10.572 -3.612 429 HD21 LEU 59 3HD2 LEU 59 1.171 -11.355 -1.908 430 HD22 LEU 59 1HD2 LEU 59 0.209 -12.717 -2.484 431 HD23 LEU 59 2HD2 LEU 59 -0.565 -11.400 -1.601 432 H TYR 60 H TYR 60 -0.086 -6.579 -3.769 433 HA TYR 60 HA TYR 60 2.104 -6.548 -5.517 434 HB2 TYR 60 2HB TYR 60 0.061 -4.885 -4.743 435 HB3 TYR 60 1HB TYR 60 1.459 -3.993 -4.169 436 HD1 TYR 60 2HD TYR 60 0.517 -5.999 -7.205 437 HD2 TYR 60 1HD TYR 60 2.304 -2.433 -5.621 438 HE1 TYR 60 2HE TYR 60 0.909 -5.170 -9.505 439 HE2 TYR 60 1HE TYR 60 2.691 -1.603 -7.915 440 HH TYR 60 HH TYR 60 2.814 -3.336 -10.501 441 H ARG 61 H ARG 61 1.955 -5.004 -2.288 442 HA ARG 61 HA ARG 61 4.519 -4.016 -1.981 443 HB2 ARG 61 2HB ARG 61 2.318 -4.540 -0.397 444 HB3 ARG 61 1HB ARG 61 3.565 -5.536 0.352 445 HG2 ARG 61 2HG ARG 61 3.915 -3.511 1.440 446 HG3 ARG 61 1HG ARG 61 5.032 -3.355 0.084 447 HD2 ARG 61 2HD ARG 61 3.498 -1.971 -1.142 448 HD3 ARG 61 1HD ARG 61 2.177 -2.331 -0.013 449 HE ARG 61 HE ARG 61 4.319 -0.412 0.441 450 HH11 ARG 61 1HH2 ARG 61 2.135 -2.663 1.958 451 HH12 ARG 61 2HH2 ARG 61 2.166 -1.838 3.478 452 HH21 ARG 61 1HH1 ARG 61 4.343 0.638 2.423 453 HH22 ARG 61 2HH1 ARG 61 3.406 0.016 3.741 454 H ASN 62 H ASN 62 3.563 -7.430 -1.473 455 HA ASN 62 HA ASN 62 6.287 -8.254 -0.782 456 HB2 ASN 62 2HB ASN 62 3.721 -9.729 -1.460 457 HB3 ASN 62 1HB ASN 62 5.186 -10.516 -0.872 458 HD21 ASN 62 1HD2 ASN 62 2.482 -8.448 0.063 459 HD22 ASN 62 2HD2 ASN 62 2.813 -8.459 1.728 460 H ALA 63 H ALA 63 4.089 -8.973 -3.530 461 HA ALA 63 HA ALA 63 5.843 -10.387 -5.191 462 HB1 ALA 63 1HB ALA 63 4.371 -9.015 -6.981 463 HB2 ALA 63 2HB ALA 63 3.474 -8.608 -5.518 464 HB3 ALA 63 3HB ALA 63 3.681 -10.296 -5.984 465 H GLN 64 H GLN 64 5.133 -6.909 -5.702 466 HA GLN 64 HA GLN 64 7.196 -6.309 -7.497 467 HB2 GLN 64 2HB GLN 64 5.533 -4.876 -5.507 468 HB3 GLN 64 1HB GLN 64 6.982 -4.018 -6.030 469 HG2 GLN 64 2HG GLN 64 4.916 -5.215 -7.904 470 HG3 GLN 64 1HG GLN 64 5.007 -3.508 -7.467 471 HE21 GLN 64 1HE2 GLN 64 7.726 -2.966 -7.581 472 HE22 GLN 64 2HE2 GLN 64 8.321 -3.254 -9.144 473 H SER 65 H SER 65 7.397 -6.640 -3.985 474 HA SER 65 HA SER 65 10.106 -5.560 -3.774 475 HB2 SER 65 2HB SER 65 8.417 -5.515 -1.957 476 HB3 SER 65 1HB SER 65 8.424 -7.276 -1.914 477 HG SER 65 HG SER 65 10.685 -7.127 -1.429 478 H ASN 66 H ASN 66 8.641 -8.727 -4.240 479 HA ASN 66 HA ASN 66 11.168 -10.179 -3.795 480 HB2 ASN 66 2HB ASN 66 8.305 -10.790 -4.453 481 HB3 ASN 66 1HB ASN 66 9.524 -12.030 -4.748 482 HD21 ASN 66 1HD2 ASN 66 8.015 -10.059 -2.193 483 HD22 ASN 66 2HD2 ASN 66 8.565 -11.012 -0.901 484 H THR 67 H THR 67 9.314 -8.881 -6.478 485 HA THR 67 HA THR 67 10.829 -10.397 -8.505 486 HB THR 67 HB THR 67 9.013 -8.068 -9.059 487 HG1 THR 67 1HG THR 67 7.490 -8.989 -7.975 488 HG21 THR 67 3HG2 THR 67 9.668 -10.724 -10.322 489 HG22 THR 67 1HG2 THR 67 9.840 -9.109 -11.010 490 HG23 THR 67 2HG2 THR 67 8.236 -9.811 -10.797 491 H ALA 68 H ALA 68 10.602 -7.043 -7.303 492 HA ALA 68 HA ALA 68 12.315 -5.787 -9.195 493 HB1 ALA 68 1HB ALA 68 12.008 -5.221 -6.228 494 HB2 ALA 68 2HB ALA 68 10.852 -4.718 -7.462 495 HB3 ALA 68 3HB ALA 68 12.490 -4.066 -7.471 496 H LYS 69 H LYS 69 13.092 -7.445 -6.131 497 HA LYS 69 HA LYS 69 15.856 -6.880 -5.958 498 HB2 LYS 69 2HB LYS 69 14.137 -8.182 -4.444 499 HB3 LYS 69 1HB LYS 69 14.725 -9.594 -5.323 500 HG2 LYS 69 2HG LYS 69 17.096 -8.555 -4.741 501 HG3 LYS 69 1HG LYS 69 16.190 -7.795 -3.432 502 HD2 LYS 69 2HD LYS 69 15.309 -10.066 -2.811 503 HD3 LYS 69 1HD LYS 69 16.397 -10.761 -4.013 504 HE2 LYS 69 2HE LYS 69 18.162 -9.210 -2.653 505 HE3 LYS 69 1HE LYS 69 17.027 -9.613 -1.347 506 HZ1 LYS 69 3HZ LYS 69 17.217 -11.914 -1.841 507 HZ2 LYS 69 1HZ LYS 69 18.798 -11.312 -1.727 508 HZ3 LYS 69 2HZ LYS 69 18.114 -11.613 -3.253 509 H ALA 70 H ALA 70 14.367 -9.807 -7.418 510 HA ALA 70 HA ALA 70 16.782 -10.829 -8.564 511 HB1 ALA 70 1HB ALA 70 14.469 -11.909 -8.153 512 HB2 ALA 70 2HB ALA 70 15.300 -12.351 -9.644 513 HB3 ALA 70 3HB ALA 70 13.992 -11.168 -9.681 514 H PHE 71 H PHE 71 14.403 -8.490 -9.717 515 HA PHE 71 HA PHE 71 15.113 -8.388 -12.472 516 HB2 PHE 71 2HB PHE 71 13.362 -7.139 -10.733 517 HB3 PHE 71 1HB PHE 71 14.445 -5.823 -11.184 518 HD1 PHE 71 1HD PHE 71 12.663 -8.711 -12.799 519 HD2 PHE 71 2HD PHE 71 13.928 -4.617 -13.102 520 HE1 PHE 71 1HE PHE 71 11.520 -8.519 -14.991 521 HE2 PHE 71 2HE PHE 71 12.785 -4.425 -15.294 522 HZ PHE 71 HZ PHE 71 11.581 -6.377 -16.239 523 H LYS 72 H LYS 72 16.168 -6.119 -9.894 524 HA LYS 72 HA LYS 72 18.202 -4.850 -11.452 525 HB2 LYS 72 2HB LYS 72 18.959 -4.042 -9.229 526 HB3 LYS 72 1HB LYS 72 17.205 -3.947 -9.385 527 HG2 LYS 72 2HG LYS 72 16.895 -5.932 -8.068 528 HG3 LYS 72 1HG LYS 72 18.619 -6.302 -8.111 529 HD2 LYS 72 2HD LYS 72 18.783 -3.861 -7.034 530 HD3 LYS 72 1HD LYS 72 17.156 -4.269 -6.488 531 HE2 LYS 72 2HE LYS 72 18.243 -6.537 -5.741 532 HE3 LYS 72 1HE LYS 72 19.762 -5.622 -5.819 533 HZ1 LYS 72 3HZ LYS 72 18.624 -3.858 -4.507 534 HZ2 LYS 72 1HZ LYS 72 18.852 -5.305 -3.654 535 HZ3 LYS 72 2HZ LYS 72 17.320 -4.923 -4.280 536 H ASP 73 H ASP 73 18.190 -7.853 -9.637 537 HA ASP 73 HA ASP 73 21.056 -8.175 -9.409 538 HB2 ASP 73 2HB ASP 73 19.314 -9.318 -8.040 539 HB3 ASP 73 1HB ASP 73 18.812 -10.219 -9.471 540 H ILE 74 H ILE 74 18.651 -9.546 -11.691 541 HA ILE 74 HA ILE 74 20.281 -11.143 -13.298 542 HB ILE 74 HB ILE 74 18.017 -9.269 -14.063 543 HG12 ILE 74 2HG1 ILE 74 17.685 -12.214 -13.751 544 HG13 ILE 74 1HG1 ILE 74 17.910 -11.281 -12.272 545 HG21 ILE 74 1HG2 ILE 74 17.719 -11.155 -15.855 546 HG22 ILE 74 2HG2 ILE 74 19.426 -11.476 -15.550 547 HG23 ILE 74 3HG2 ILE 74 18.918 -9.893 -16.139 548 HD11 ILE 74 3HD1 ILE 74 15.656 -10.968 -12.422 549 HD12 ILE 74 1HD1 ILE 74 15.625 -11.315 -14.151 550 HD13 ILE 74 2HD1 ILE 74 16.102 -9.715 -13.581 551 H ASP 75 H ASP 75 19.855 -7.606 -13.528 552 HA ASP 75 HA ASP 75 21.371 -7.117 -15.881 553 HB2 ASP 75 2HB ASP 75 20.803 -5.598 -13.334 554 HB3 ASP 75 1HB ASP 75 21.779 -4.881 -14.614 555 H ALA 76 H ALA 76 22.397 -7.508 -12.504 556 HA ALA 76 HA ALA 76 25.104 -6.745 -12.682 557 HB1 ALA 76 1HB ALA 76 24.159 -9.140 -11.121 558 HB2 ALA 76 2HB ALA 76 23.565 -7.527 -10.726 559 HB3 ALA 76 3HB ALA 76 25.290 -7.880 -10.628 560 H ALA 77 H ALA 77 23.527 -9.587 -13.991 561 HA ALA 77 HA ALA 77 26.123 -10.951 -14.472 562 HB1 ALA 77 1HB ALA 77 24.676 -12.814 -15.104 563 HB2 ALA 77 2HB ALA 77 23.266 -11.755 -15.106 564 HB3 ALA 77 3HB ALA 77 24.087 -12.125 -13.590 565 H ILE 78 H ILE 78 23.787 -8.954 -16.113 566 HA ILE 78 HA ILE 78 24.381 -9.860 -18.814 567 HB ILE 78 HB ILE 78 23.167 -7.293 -17.741 568 HG12 ILE 78 2HG1 ILE 78 21.808 -9.814 -18.743 569 HG13 ILE 78 1HG1 ILE 78 22.039 -9.436 -17.036 570 HG21 ILE 78 1HG2 ILE 78 23.236 -8.574 -20.480 571 HG22 ILE 78 2HG2 ILE 78 23.766 -6.953 -20.030 572 HG23 ILE 78 3HG2 ILE 78 22.047 -7.350 -20.036 573 HD11 ILE 78 3HD1 ILE 78 20.930 -7.116 -17.851 574 HD12 ILE 78 1HD1 ILE 78 19.969 -8.481 -17.285 575 HD13 ILE 78 2HD1 ILE 78 20.186 -8.212 -19.014 576 H ILE 79 H ILE 79 26.186 -8.044 -16.579 577 HA ILE 79 HA ILE 79 27.642 -6.605 -18.766 578 HB ILE 79 HB ILE 79 27.498 -6.139 -15.767 579 HG12 ILE 79 2HG1 ILE 79 26.273 -4.596 -18.081 580 HG13 ILE 79 1HG1 ILE 79 25.384 -5.675 -17.007 581 HG21 ILE 79 1HG2 ILE 79 29.407 -5.267 -17.691 582 HG22 ILE 79 2HG2 ILE 79 29.242 -4.736 -16.019 583 HG23 ILE 79 3HG2 ILE 79 28.395 -3.876 -17.304 584 HD11 ILE 79 3HD1 ILE 79 26.375 -2.936 -16.523 585 HD12 ILE 79 1HD1 ILE 79 26.655 -4.063 -15.197 586 HD13 ILE 79 2HD1 ILE 79 25.017 -3.788 -15.788 587 H GLN 80 H GLN 80 28.068 -8.588 -15.833 588 HA GLN 80 HA GLN 80 30.963 -8.908 -16.341 589 HB2 GLN 80 2HB GLN 80 29.000 -9.965 -14.280 590 HB3 GLN 80 1HB GLN 80 30.726 -10.331 -14.254 591 HG2 GLN 80 2HG GLN 80 31.297 -8.011 -13.977 592 HG3 GLN 80 1HG GLN 80 29.634 -7.507 -14.284 593 HE21 GLN 80 1HE2 GLN 80 27.973 -8.444 -12.639 594 HE22 GLN 80 2HE2 GLN 80 28.480 -8.564 -11.024 595 H ASN 81 H ASN 81 27.951 -10.705 -16.673 596 HA ASN 81 HA ASN 81 29.449 -13.037 -17.821 597 HB2 ASN 81 2HB ASN 81 27.011 -12.632 -16.169 598 HB3 ASN 81 1HB ASN 81 26.897 -13.893 -17.396 599 HD21 ASN 81 1HD2 ASN 81 29.417 -12.780 -15.042 600 HD22 ASN 81 2HD2 ASN 81 29.814 -14.343 -14.515 601 H PHE 82 H PHE 82 27.637 -10.340 -18.713 602 HA PHE 82 HA PHE 82 26.618 -9.661 -20.684 603 HB2 PHE 82 2HB PHE 82 27.696 -10.379 -22.565 604 HB3 PHE 82 1HB PHE 82 28.755 -11.145 -21.397 605 HD1 PHE 82 2HD PHE 82 25.568 -11.863 -23.281 606 HD2 PHE 82 1HD PHE 82 29.252 -13.405 -21.693 607 HE1 PHE 82 2HE PHE 82 25.096 -14.065 -24.317 608 HE2 PHE 82 1HE PHE 82 28.783 -15.601 -22.740 609 HZ PHE 82 HZ PHE 82 26.703 -15.933 -24.048 610 H ARG 83 H ARG 83 25.824 -12.742 -19.307 611 HA ARG 83 HA ARG 83 23.898 -14.079 -19.431 612 HB2 ARG 83 2HB ARG 83 23.062 -11.189 -19.490 613 HB3 ARG 83 1HB ARG 83 21.869 -12.482 -19.361 614 HG2 ARG 83 2HG ARG 83 24.255 -12.312 -17.519 615 HG3 ARG 83 1HG ARG 83 22.729 -11.505 -17.152 616 HD2 ARG 83 2HD ARG 83 23.038 -14.483 -17.690 617 HD3 ARG 83 1HD ARG 83 22.816 -13.746 -16.091 618 HE ARG 83 HE ARG 83 20.735 -12.687 -17.566 619 HH11 ARG 83 1HH2 ARG 83 21.876 -15.919 -16.940 620 HH12 ARG 83 2HH2 ARG 83 20.302 -16.620 -17.084 621 HH21 ARG 83 1HH1 ARG 83 18.704 -13.622 -17.747 622 HH22 ARG 83 2HH1 ARG 83 18.518 -15.331 -17.538 Start of MODEL 25 1 H1 GLY 1 1HT GLY 1 17.036 -1.015 -30.419 2 H2 GLY 1 2HT GLY 1 15.622 -1.821 -29.930 3 H3 GLY 1 3HT GLY 1 17.147 -2.445 -29.514 4 HA2 GLY 1 2HA GLY 1 17.582 -0.456 -28.165 5 HA3 GLY 1 1HA GLY 1 15.941 0.083 -28.528 6 H SER 2 H SER 2 16.065 -0.112 -25.993 7 HA SER 2 HA SER 2 14.859 -2.754 -25.285 8 HB2 SER 2 2HB SER 2 16.989 -1.271 -23.712 9 HB3 SER 2 1HB SER 2 16.267 -2.818 -23.277 10 HG SER 2 HG SER 2 17.326 -3.783 -24.893 11 H HIS 3 H HIS 3 13.359 -2.610 -23.514 12 HA HIS 3 HA HIS 3 12.322 0.143 -23.038 13 HB2 HIS 3 2HB HIS 3 11.234 -2.664 -22.702 14 HB3 HIS 3 1HB HIS 3 10.349 -1.229 -22.183 15 HD1 HIS 3 1HD HIS 3 9.927 -3.348 -24.753 16 HD2 HIS 3 2HD HIS 3 10.934 0.696 -24.805 17 HE1 HIS 3 1HE HIS 3 9.276 -2.477 -27.040 18 H MET 4 H MET 4 13.516 0.979 -21.306 19 HA MET 4 HA MET 4 14.307 1.206 -19.090 20 HB2 MET 4 2HB MET 4 11.665 0.577 -19.103 21 HB3 MET 4 1HB MET 4 12.293 -0.764 -18.143 22 HG2 MET 4 2HG MET 4 13.136 0.658 -16.476 23 HG3 MET 4 1HG MET 4 13.143 2.061 -17.543 24 HE1 MET 4 3HE MET 4 11.775 3.614 -17.724 25 HE2 MET 4 1HE MET 4 10.147 3.843 -17.073 26 HE3 MET 4 2HE MET 4 10.380 2.965 -18.582 27 H ALA 5 H ALA 5 16.314 0.032 -19.518 28 HA ALA 5 HA ALA 5 16.660 -2.319 -17.828 29 HB1 ALA 5 1HB ALA 5 15.557 -3.195 -19.914 30 HB2 ALA 5 2HB ALA 5 17.154 -3.886 -19.629 31 HB3 ALA 5 3HB ALA 5 16.944 -2.616 -20.836 32 H THR 6 H THR 6 18.493 -1.410 -16.893 33 HA THR 6 HA THR 6 20.787 -0.814 -18.732 34 HB THR 6 HB THR 6 21.316 0.987 -16.976 35 HG1 THR 6 1HG THR 6 19.460 1.632 -15.786 36 HG21 THR 6 3HG2 THR 6 18.674 1.484 -18.327 37 HG22 THR 6 1HG2 THR 6 20.135 1.246 -19.285 38 HG23 THR 6 2HG2 THR 6 20.041 2.580 -18.134 39 HA PRO 7 HA PRO 7 23.016 -3.586 -16.129 40 HB2 PRO 7 2HB PRO 7 25.547 -2.508 -16.330 41 HB3 PRO 7 1HB PRO 7 24.798 -3.507 -17.586 42 HG2 PRO 7 2HG PRO 7 25.097 -0.558 -17.442 43 HG3 PRO 7 1HG PRO 7 25.175 -1.636 -18.843 44 HD2 PRO 7 2HD PRO 7 23.012 -0.090 -18.256 45 HD3 PRO 7 1HD PRO 7 22.907 -1.629 -19.140 46 H TRP 8 H TRP 8 24.347 -3.588 -14.098 47 HA TRP 8 HA TRP 8 24.282 -2.949 -11.806 48 HB2 TRP 8 2HB TRP 8 25.709 -0.687 -11.719 49 HB3 TRP 8 1HB TRP 8 26.433 -2.230 -12.144 50 HD1 TRP 8 HD TRP 8 24.953 0.902 -13.850 51 HE1 TRP 8 1HE TRP 8 26.121 1.200 -16.129 52 HE3 TRP 8 3HE TRP 8 27.848 -3.302 -13.911 53 HZ2 TRP 8 2HZ TRP 8 28.034 -0.165 -17.758 54 HZ3 TRP 8 3HZ TRP 8 29.338 -3.775 -15.834 55 HH2 TRP 8 HH TRP 8 29.435 -2.212 -17.757 56 H SER 9 H SER 9 21.801 -2.157 -12.988 57 HA SER 9 HA SER 9 21.306 0.414 -11.523 58 HB2 SER 9 2HB SER 9 20.964 1.004 -13.741 59 HB3 SER 9 1HB SER 9 20.519 -0.632 -14.214 60 HG SER 9 HG SER 9 18.686 0.658 -14.219 61 H GLY 10 H GLY 10 18.886 -1.710 -12.999 62 HA2 GLY 10 2HA GLY 10 17.187 -3.013 -12.056 63 HA3 GLY 10 1HA GLY 10 18.216 -3.192 -10.635 64 H TYR 11 H TYR 11 18.305 -1.210 -9.201 65 HA TYR 11 HA TYR 11 15.544 -0.272 -8.717 66 HB2 TYR 11 2HB TYR 11 18.114 -0.545 -7.251 67 HB3 TYR 11 1HB TYR 11 17.052 0.757 -6.715 68 HD1 TYR 11 2HD TYR 11 16.863 -2.858 -7.720 69 HD2 TYR 11 1HD TYR 11 15.406 0.257 -5.145 70 HE1 TYR 11 2HE TYR 11 15.438 -4.505 -6.534 71 HE2 TYR 11 1HE TYR 11 13.982 -1.390 -3.958 72 HH TYR 11 HH TYR 11 14.363 -4.739 -4.310 73 H LEU 12 H LEU 12 18.423 0.948 -10.186 74 HA LEU 12 HA LEU 12 18.298 3.719 -9.577 75 HB2 LEU 12 2HB LEU 12 19.365 1.946 -11.702 76 HB3 LEU 12 1HB LEU 12 19.178 3.639 -12.156 77 HG LEU 12 HG LEU 12 20.405 4.231 -10.009 78 HD11 LEU 12 1HD1 LEU 12 20.462 1.256 -9.919 79 HD12 LEU 12 2HD1 LEU 12 20.444 2.421 -8.596 80 HD13 LEU 12 3HD1 LEU 12 21.946 2.087 -9.456 81 HD21 LEU 12 3HD2 LEU 12 21.376 3.946 -12.428 82 HD22 LEU 12 1HD2 LEU 12 22.132 2.497 -11.764 83 HD23 LEU 12 2HD2 LEU 12 22.493 4.078 -11.068 84 H ASP 13 H ASP 13 16.289 1.751 -11.683 85 HA ASP 13 HA ASP 13 14.329 3.891 -11.969 86 HB2 ASP 13 2HB ASP 13 16.331 4.329 -13.577 87 HB3 ASP 13 1HB ASP 13 15.672 2.986 -14.513 88 H ASP 14 H ASP 14 15.543 0.788 -13.232 89 HA ASP 14 HA ASP 14 13.231 -0.236 -14.457 90 HB2 ASP 14 2HB ASP 14 15.674 -1.257 -13.154 91 HB3 ASP 14 1HB ASP 14 14.359 -2.423 -13.284 92 H VAL 15 H VAL 15 14.182 -1.516 -11.340 93 HA VAL 15 HA VAL 15 11.672 -2.477 -10.540 94 HB VAL 15 HB VAL 15 13.911 -1.334 -8.850 95 HG11 VAL 15 1HG1 VAL 15 12.199 -1.798 -7.360 96 HG12 VAL 15 2HG1 VAL 15 13.049 -3.343 -7.402 97 HG13 VAL 15 3HG1 VAL 15 11.570 -3.124 -8.337 98 HG21 VAL 15 3HG2 VAL 15 13.938 -4.209 -9.193 99 HG22 VAL 15 1HG2 VAL 15 15.205 -3.039 -9.561 100 HG23 VAL 15 2HG2 VAL 15 13.977 -3.417 -10.767 101 H SER 16 H SER 16 13.125 0.705 -9.963 102 HA SER 16 HA SER 16 11.252 1.821 -8.185 103 HB2 SER 16 2HB SER 16 13.236 2.986 -8.674 104 HB3 SER 16 1HB SER 16 12.998 2.842 -10.413 105 HG SER 16 HG SER 16 11.398 4.367 -8.619 106 H ALA 17 H ALA 17 11.017 1.361 -11.699 107 HA ALA 17 HA ALA 17 8.659 2.996 -12.100 108 HB1 ALA 17 1HB ALA 17 9.561 0.551 -13.654 109 HB2 ALA 17 2HB ALA 17 10.344 2.123 -13.807 110 HB3 ALA 17 3HB ALA 17 8.652 1.932 -14.266 111 H LYS 18 H LYS 18 9.228 -0.370 -11.216 112 HA LYS 18 HA LYS 18 6.353 -1.054 -11.269 113 HB2 LYS 18 2HB LYS 18 8.838 -2.548 -10.356 114 HB3 LYS 18 1HB LYS 18 7.237 -3.261 -10.552 115 HG2 LYS 18 2HG LYS 18 7.512 -2.125 -12.987 116 HG3 LYS 18 1HG LYS 18 9.208 -2.443 -12.620 117 HD2 LYS 18 2HD LYS 18 8.715 -4.797 -12.197 118 HD3 LYS 18 1HD LYS 18 6.993 -4.506 -12.452 119 HE2 LYS 18 2HE LYS 18 7.648 -5.302 -14.562 120 HE3 LYS 18 1HE LYS 18 7.827 -3.550 -14.786 121 HZ1 LYS 18 3HZ LYS 18 9.943 -5.491 -14.028 122 HZ2 LYS 18 1HZ LYS 18 10.145 -3.809 -13.943 123 HZ3 LYS 18 2HZ LYS 18 9.867 -4.555 -15.444 124 H PHE 19 H PHE 19 8.814 -0.011 -9.013 125 HA PHE 19 HA PHE 19 7.265 -0.733 -6.615 126 HB2 PHE 19 2HB PHE 19 9.925 0.377 -7.355 127 HB3 PHE 19 1HB PHE 19 9.290 0.881 -5.789 128 HD1 PHE 19 1HD PHE 19 9.197 -2.308 -7.771 129 HD2 PHE 19 2HD PHE 19 10.144 -0.397 -4.043 130 HE1 PHE 19 1HE PHE 19 9.829 -4.500 -6.807 131 HE2 PHE 19 2HE PHE 19 10.777 -2.591 -3.077 132 HZ PHE 19 HZ PHE 19 10.620 -4.644 -4.460 133 H ASP 20 H ASP 20 8.716 2.389 -7.588 134 HA ASP 20 HA ASP 20 6.955 4.024 -6.087 135 HB2 ASP 20 2HB ASP 20 8.533 4.522 -8.630 136 HB3 ASP 20 1HB ASP 20 7.792 5.802 -7.670 137 H THR 21 H THR 21 6.876 4.237 -9.644 138 HA THR 21 HA THR 21 4.230 5.136 -9.884 139 HB THR 21 HB THR 21 5.541 3.253 -11.846 140 HG1 THR 21 1HG THR 21 6.210 5.934 -11.219 141 HG21 THR 21 3HG2 THR 21 3.413 4.070 -12.572 142 HG22 THR 21 1HG2 THR 21 4.626 5.021 -13.429 143 HG23 THR 21 2HG2 THR 21 3.789 5.708 -12.037 144 H GLY 22 H GLY 22 5.348 1.732 -10.149 145 HA2 GLY 22 2HA GLY 22 2.883 0.484 -10.616 146 HA3 GLY 22 1HA GLY 22 4.199 -0.271 -9.724 147 H VAL 23 H VAL 23 4.360 0.504 -7.364 148 HA VAL 23 HA VAL 23 1.952 -0.188 -6.014 149 HB VAL 23 HB VAL 23 4.406 1.294 -5.028 150 HG11 VAL 23 1HG1 VAL 23 2.189 1.075 -3.608 151 HG12 VAL 23 2HG1 VAL 23 3.755 0.766 -2.861 152 HG13 VAL 23 3HG1 VAL 23 2.748 -0.582 -3.387 153 HG21 VAL 23 3HG2 VAL 23 4.380 -1.145 -6.250 154 HG22 VAL 23 1HG2 VAL 23 4.056 -1.621 -4.585 155 HG23 VAL 23 2HG2 VAL 23 5.516 -0.714 -4.974 156 H ASP 24 H ASP 24 3.330 3.012 -6.791 157 HA ASP 24 HA ASP 24 1.529 4.592 -5.215 158 HB2 ASP 24 2HB ASP 24 3.079 5.027 -7.779 159 HB3 ASP 24 1HB ASP 24 2.094 6.305 -7.071 160 H ASN 25 H ASN 25 1.315 3.221 -8.478 161 HA ASN 25 HA ASN 25 -1.184 4.427 -9.237 162 HB2 ASN 25 2HB ASN 25 0.599 2.201 -10.077 163 HB3 ASN 25 1HB ASN 25 -1.083 2.065 -10.593 164 HD21 ASN 25 1HD2 ASN 25 1.818 3.207 -11.677 165 HD22 ASN 25 2HD2 ASN 25 1.283 4.484 -12.658 166 H LEU 26 H LEU 26 -0.345 1.318 -7.682 167 HA LEU 26 HA LEU 26 -3.069 0.373 -7.439 168 HB2 LEU 26 2HB LEU 26 -0.395 -0.443 -6.781 169 HB3 LEU 26 1HB LEU 26 -1.390 -0.618 -5.339 170 HG LEU 26 HG LEU 26 -2.222 -1.665 -8.042 171 HD11 LEU 26 1HD1 LEU 26 -0.302 -2.938 -7.575 172 HD12 LEU 26 2HD1 LEU 26 -1.612 -3.916 -6.914 173 HD13 LEU 26 3HD1 LEU 26 -0.616 -2.934 -5.841 174 HD21 LEU 26 3HD2 LEU 26 -4.162 -2.087 -6.990 175 HD22 LEU 26 1HD2 LEU 26 -3.522 -1.383 -5.506 176 HD23 LEU 26 2HD2 LEU 26 -3.303 -3.102 -5.833 177 H GLN 27 H GLN 27 -1.058 2.533 -5.526 178 HA GLN 27 HA GLN 27 -2.724 2.457 -3.135 179 HB2 GLN 27 2HB GLN 27 -0.184 3.173 -3.704 180 HB3 GLN 27 1HB GLN 27 -0.945 4.763 -3.759 181 HG2 GLN 27 2HG GLN 27 -1.871 4.428 -1.514 182 HG3 GLN 27 1HG GLN 27 -1.182 2.805 -1.456 183 HE21 GLN 27 1HE2 GLN 27 -0.522 6.136 -0.847 184 HE22 GLN 27 2HE2 GLN 27 1.139 5.976 -0.534 185 H THR 28 H THR 28 -2.508 4.540 -6.014 186 HA THR 28 HA THR 28 -4.456 6.457 -4.931 187 HB THR 28 HB THR 28 -2.427 6.775 -6.587 188 HG1 THR 28 1HG THR 28 -3.381 8.621 -6.417 189 HG21 THR 28 3HG2 THR 28 -3.047 6.718 -8.945 190 HG22 THR 28 1HG2 THR 28 -4.673 6.169 -8.536 191 HG23 THR 28 2HG2 THR 28 -3.288 5.115 -8.251 192 H GLN 29 H GLN 29 -4.462 3.663 -7.094 193 HA GLN 29 HA GLN 29 -6.966 4.043 -8.368 194 HB2 GLN 29 2HB GLN 29 -4.973 2.028 -8.072 195 HB3 GLN 29 1HB GLN 29 -6.526 1.275 -7.730 196 HG2 GLN 29 2HG GLN 29 -5.782 2.833 -10.221 197 HG3 GLN 29 1HG GLN 29 -6.099 1.105 -10.115 198 HE21 GLN 29 1HE2 GLN 29 -8.440 1.584 -8.207 199 HE22 GLN 29 2HE2 GLN 29 -9.687 2.165 -9.195 200 H VAL 30 H VAL 30 -6.271 2.270 -5.300 201 HA VAL 30 HA VAL 30 -9.028 1.683 -4.776 202 HB VAL 30 HB VAL 30 -8.046 1.798 -2.264 203 HG11 VAL 30 1HG1 VAL 30 -6.959 -0.568 -3.474 204 HG12 VAL 30 2HG1 VAL 30 -8.482 -0.166 -4.267 205 HG13 VAL 30 3HG1 VAL 30 -8.430 -0.390 -2.520 206 HG21 VAL 30 3HG2 VAL 30 -5.851 2.709 -3.406 207 HG22 VAL 30 1HG2 VAL 30 -5.580 1.005 -3.768 208 HG23 VAL 30 2HG2 VAL 30 -5.748 1.533 -2.094 209 H THR 31 H THR 31 -7.183 4.625 -4.465 210 HA THR 31 HA THR 31 -8.870 5.967 -2.552 211 HB THR 31 HB THR 31 -7.468 7.278 -4.888 212 HG1 THR 31 1HG THR 31 -5.588 7.153 -3.455 213 HG21 THR 31 3HG2 THR 31 -7.953 7.974 -1.983 214 HG22 THR 31 1HG2 THR 31 -8.633 8.773 -3.402 215 HG23 THR 31 2HG2 THR 31 -6.911 8.917 -3.048 216 H GLU 32 H GLU 32 -8.845 5.800 -6.135 217 HA GLU 32 HA GLU 32 -11.282 7.304 -6.544 218 HB2 GLU 32 2HB GLU 32 -10.006 5.055 -8.158 219 HB3 GLU 32 1HB GLU 32 -11.199 6.202 -8.765 220 HG2 GLU 32 2HG GLU 32 -8.461 6.943 -7.707 221 HG3 GLU 32 1HG GLU 32 -8.893 6.829 -9.413 222 H ALA 33 H ALA 33 -10.432 3.898 -6.128 223 HA ALA 33 HA ALA 33 -13.023 2.721 -6.341 224 HB1 ALA 33 1HB ALA 33 -10.525 1.802 -6.102 225 HB2 ALA 33 2HB ALA 33 -11.894 0.825 -5.576 226 HB3 ALA 33 3HB ALA 33 -10.958 1.737 -4.397 227 H LEU 34 H LEU 34 -11.434 4.555 -3.806 228 HA LEU 34 HA LEU 34 -13.184 3.777 -1.620 229 HB2 LEU 34 2HB LEU 34 -10.820 4.879 -1.629 230 HB3 LEU 34 1HB LEU 34 -11.683 6.392 -1.907 231 HG LEU 34 HG LEU 34 -13.124 5.737 0.128 232 HD11 LEU 34 1HD1 LEU 34 -10.712 4.018 0.748 233 HD12 LEU 34 2HD1 LEU 34 -12.202 3.352 0.082 234 HD13 LEU 34 3HD1 LEU 34 -12.217 4.140 1.659 235 HD21 LEU 34 3HD2 LEU 34 -11.581 6.800 1.628 236 HD22 LEU 34 1HD2 LEU 34 -11.265 7.480 0.033 237 HD23 LEU 34 2HD2 LEU 34 -10.191 6.247 0.693 238 H ASP 35 H ASP 35 -12.912 6.754 -3.591 239 HA ASP 35 HA ASP 35 -15.408 7.918 -2.793 240 HB2 ASP 35 2HB ASP 35 -13.505 8.115 -5.114 241 HB3 ASP 35 1HB ASP 35 -15.067 8.924 -5.235 242 H LYS 36 H LYS 36 -14.551 5.341 -4.982 243 HA LYS 36 HA LYS 36 -16.995 5.210 -6.534 244 HB2 LYS 36 2HB LYS 36 -14.442 3.942 -6.322 245 HB3 LYS 36 1HB LYS 36 -15.649 2.675 -6.203 246 HG2 LYS 36 2HG LYS 36 -16.208 2.861 -8.385 247 HG3 LYS 36 1HG LYS 36 -16.257 4.623 -8.307 248 HD2 LYS 36 2HD LYS 36 -13.555 3.414 -8.128 249 HD3 LYS 36 1HD LYS 36 -14.366 3.229 -9.684 250 HE2 LYS 36 2HE LYS 36 -14.912 5.791 -9.366 251 HE3 LYS 36 1HE LYS 36 -13.502 5.735 -8.290 252 HZ1 LYS 36 3HZ LYS 36 -12.236 4.666 -10.041 253 HZ2 LYS 36 1HZ LYS 36 -12.840 6.152 -10.594 254 HZ3 LYS 36 2HZ LYS 36 -13.583 4.702 -11.077 255 H LEU 37 H LEU 37 -15.750 2.869 -4.151 256 HA LEU 37 HA LEU 37 -18.032 1.411 -3.568 257 HB2 LEU 37 2HB LEU 37 -16.078 0.675 -2.546 258 HB3 LEU 37 1HB LEU 37 -15.584 2.301 -2.091 259 HG LEU 37 HG LEU 37 -17.292 2.329 -0.310 260 HD11 LEU 37 1HD1 LEU 37 -18.106 -0.260 0.051 261 HD12 LEU 37 2HD1 LEU 37 -18.123 -0.135 -1.708 262 HD13 LEU 37 3HD1 LEU 37 -19.077 0.985 -0.736 263 HD21 LEU 37 3HD2 LEU 37 -15.206 0.193 -0.458 264 HD22 LEU 37 1HD2 LEU 37 -16.305 0.183 0.921 265 HD23 LEU 37 2HD2 LEU 37 -15.299 1.598 0.604 266 H ALA 38 H ALA 38 -17.137 4.593 -2.280 267 HA ALA 38 HA ALA 38 -19.543 4.724 -0.582 268 HB1 ALA 38 1HB ALA 38 -18.434 7.147 -0.411 269 HB2 ALA 38 2HB ALA 38 -17.065 6.298 -1.130 270 HB3 ALA 38 3HB ALA 38 -17.730 5.755 0.411 271 H ALA 39 H ALA 39 -18.522 5.760 -3.778 272 HA ALA 39 HA ALA 39 -20.359 7.899 -4.261 273 HB1 ALA 39 1HB ALA 39 -18.677 6.002 -5.780 274 HB2 ALA 39 2HB ALA 39 -18.927 7.725 -6.044 275 HB3 ALA 39 3HB ALA 39 -20.092 6.558 -6.669 276 H LYS 40 H LYS 40 -20.642 4.592 -5.527 277 HA LYS 40 HA LYS 40 -23.555 4.802 -5.771 278 HB2 LYS 40 2HB LYS 40 -21.329 3.170 -6.707 279 HB3 LYS 40 1HB LYS 40 -22.652 2.146 -6.152 280 HG2 LYS 40 2HG LYS 40 -22.955 2.657 -8.521 281 HG3 LYS 40 1HG LYS 40 -24.220 3.452 -7.584 282 HD2 LYS 40 2HD LYS 40 -22.943 5.559 -7.630 283 HD3 LYS 40 1HD LYS 40 -21.665 4.767 -8.553 284 HE2 LYS 40 2HE LYS 40 -22.915 5.750 -10.274 285 HE3 LYS 40 1HE LYS 40 -23.680 4.152 -10.182 286 HZ1 LYS 40 3HZ LYS 40 -25.278 6.041 -10.056 287 HZ2 LYS 40 1HZ LYS 40 -24.560 6.499 -8.589 288 HZ3 LYS 40 2HZ LYS 40 -25.340 4.996 -8.718 289 HA PRO 41 HA PRO 41 -24.569 3.227 -1.757 290 HB2 PRO 41 2HB PRO 41 -26.656 1.562 -3.044 291 HB3 PRO 41 1HB PRO 41 -26.832 2.841 -1.828 292 HG2 PRO 41 2HG PRO 41 -27.563 3.171 -4.394 293 HG3 PRO 41 1HG PRO 41 -26.960 4.496 -3.389 294 HD2 PRO 41 2HD PRO 41 -25.602 3.019 -5.576 295 HD3 PRO 41 1HD PRO 41 -25.412 4.707 -5.054 296 H SER 42 H SER 42 -25.514 0.645 -1.136 297 HA SER 42 HA SER 42 -23.211 -0.987 -1.134 298 HB2 SER 42 2HB SER 42 -25.008 -1.494 0.338 299 HB3 SER 42 1HB SER 42 -26.184 -1.517 -0.973 300 HG SER 42 HG SER 42 -25.020 -3.571 0.026 301 H ASP 43 H ASP 43 -22.262 -1.019 -3.257 302 HA ASP 43 HA ASP 43 -23.867 -2.351 -5.397 303 HB2 ASP 43 2HB ASP 43 -21.786 -0.245 -5.231 304 HB3 ASP 43 1HB ASP 43 -21.669 -1.324 -6.621 305 HA PRO 44 HA PRO 44 -21.150 -5.825 -5.291 306 HB2 PRO 44 2HB PRO 44 -21.398 -6.661 -7.890 307 HB3 PRO 44 1HB PRO 44 -22.677 -6.878 -6.683 308 HG2 PRO 44 2HG PRO 44 -22.477 -4.951 -8.901 309 HG3 PRO 44 1HG PRO 44 -23.909 -5.673 -8.156 310 HD2 PRO 44 2HD PRO 44 -22.970 -3.094 -7.715 311 HD3 PRO 44 1HD PRO 44 -24.130 -3.968 -6.693 312 H ALA 45 H ALA 45 -20.885 -3.817 -8.183 313 HA ALA 45 HA ALA 45 -18.197 -4.689 -8.841 314 HB1 ALA 45 1HB ALA 45 -18.537 -2.998 -10.615 315 HB2 ALA 45 2HB ALA 45 -19.979 -2.432 -9.772 316 HB3 ALA 45 3HB ALA 45 -19.932 -4.063 -10.441 317 H LEU 46 H LEU 46 -19.475 -1.477 -7.845 318 HA LEU 46 HA LEU 46 -17.074 -0.052 -7.605 319 HB2 LEU 46 2HB LEU 46 -19.736 -0.080 -6.214 320 HB3 LEU 46 1HB LEU 46 -18.492 1.003 -5.608 321 HG LEU 46 HG LEU 46 -20.254 1.712 -7.545 322 HD11 LEU 46 1HD1 LEU 46 -17.514 2.547 -6.821 323 HD12 LEU 46 2HD1 LEU 46 -19.015 3.466 -6.781 324 HD13 LEU 46 3HD1 LEU 46 -18.162 3.232 -8.306 325 HD21 LEU 46 3HD2 LEU 46 -17.774 0.921 -9.106 326 HD22 LEU 46 1HD2 LEU 46 -19.255 1.635 -9.738 327 HD23 LEU 46 2HD2 LEU 46 -19.266 -0.018 -9.128 328 H LEU 47 H LEU 47 -18.683 -1.769 -4.899 329 HA LEU 47 HA LEU 47 -16.574 -1.561 -2.996 330 HB2 LEU 47 2HB LEU 47 -19.093 -2.438 -2.979 331 HB3 LEU 47 1HB LEU 47 -18.310 -4.002 -3.197 332 HG LEU 47 HG LEU 47 -17.086 -2.293 -1.121 333 HD11 LEU 47 1HD1 LEU 47 -18.821 -2.337 0.438 334 HD12 LEU 47 2HD1 LEU 47 -19.667 -3.643 -0.390 335 HD13 LEU 47 3HD1 LEU 47 -19.705 -2.010 -1.052 336 HD21 LEU 47 3HD2 LEU 47 -17.421 -4.581 0.089 337 HD22 LEU 47 1HD2 LEU 47 -16.276 -4.501 -1.251 338 HD23 LEU 47 2HD2 LEU 47 -17.886 -5.173 -1.507 339 H ALA 48 H ALA 48 -17.376 -4.205 -5.260 340 HA ALA 48 HA ALA 48 -15.188 -5.948 -4.761 341 HB1 ALA 48 1HB ALA 48 -17.023 -6.615 -6.155 342 HB2 ALA 48 2HB ALA 48 -15.619 -6.534 -7.222 343 HB3 ALA 48 3HB ALA 48 -16.801 -5.225 -7.217 344 H ALA 49 H ALA 49 -15.424 -2.946 -6.524 345 HA ALA 49 HA ALA 49 -13.020 -3.147 -8.072 346 HB1 ALA 49 1HB ALA 49 -14.100 -0.557 -7.029 347 HB2 ALA 49 2HB ALA 49 -15.151 -1.553 -8.035 348 HB3 ALA 49 3HB ALA 49 -13.609 -0.982 -8.667 349 H TYR 50 H TYR 50 -13.636 -1.170 -5.081 350 HA TYR 50 HA TYR 50 -10.900 -0.569 -4.582 351 HB2 TYR 50 2HB TYR 50 -12.953 0.385 -3.459 352 HB3 TYR 50 1HB TYR 50 -13.046 -1.097 -2.508 353 HD1 TYR 50 1HD TYR 50 -10.771 -1.789 -1.292 354 HD2 TYR 50 2HD TYR 50 -11.742 2.162 -2.619 355 HE1 TYR 50 1HE TYR 50 -9.099 -0.847 0.264 356 HE2 TYR 50 2HE TYR 50 -10.078 3.113 -1.073 357 HH TYR 50 HH TYR 50 -7.894 2.200 0.060 358 H GLN 51 H GLN 51 -12.813 -3.439 -3.635 359 HA GLN 51 HA GLN 51 -10.748 -4.614 -1.984 360 HB2 GLN 51 2HB GLN 51 -13.087 -5.760 -3.545 361 HB3 GLN 51 1HB GLN 51 -12.150 -6.670 -2.361 362 HG2 GLN 51 2HG GLN 51 -12.700 -4.682 -0.760 363 HG3 GLN 51 1HG GLN 51 -13.988 -4.330 -1.913 364 HE21 GLN 51 1HE2 GLN 51 -15.279 -6.489 -2.544 365 HE22 GLN 51 2HE2 GLN 51 -15.691 -7.482 -1.231 366 H SER 52 H SER 52 -11.749 -5.106 -5.382 367 HA SER 52 HA SER 52 -9.963 -7.054 -6.253 368 HB2 SER 52 2HB SER 52 -11.739 -5.993 -7.603 369 HB3 SER 52 1HB SER 52 -10.842 -4.478 -7.614 370 HG SER 52 HG SER 52 -9.510 -5.276 -9.059 371 H LYS 53 H LYS 53 -9.379 -3.535 -6.033 372 HA LYS 53 HA LYS 53 -6.591 -3.723 -6.855 373 HB2 LYS 53 2HB LYS 53 -8.581 -1.736 -6.214 374 HB3 LYS 53 1HB LYS 53 -7.123 -1.389 -5.288 375 HG2 LYS 53 2HG LYS 53 -6.189 -0.517 -7.133 376 HG3 LYS 53 1HG LYS 53 -6.256 -2.106 -7.892 377 HD2 LYS 53 2HD LYS 53 -8.791 -0.540 -7.827 378 HD3 LYS 53 1HD LYS 53 -7.530 0.019 -8.926 379 HE2 LYS 53 2HE LYS 53 -7.555 -1.967 -10.183 380 HE3 LYS 53 1HE LYS 53 -8.289 -2.900 -8.863 381 HZ1 LYS 53 3HZ LYS 53 -9.578 -0.718 -10.417 382 HZ2 LYS 53 1HZ LYS 53 -10.267 -1.465 -9.060 383 HZ3 LYS 53 2HZ LYS 53 -9.980 -2.368 -10.470 384 H LEU 54 H LEU 54 -8.362 -3.820 -3.819 385 HA LEU 54 HA LEU 54 -6.206 -3.457 -1.981 386 HB2 LEU 54 2HB LEU 54 -8.811 -3.594 -1.729 387 HB3 LEU 54 1HB LEU 54 -8.537 -5.323 -1.543 388 HG LEU 54 HG LEU 54 -6.826 -4.724 0.250 389 HD11 LEU 54 1HD1 LEU 54 -7.807 -2.316 1.173 390 HD12 LEU 54 2HD1 LEU 54 -7.777 -2.062 -0.572 391 HD13 LEU 54 3HD1 LEU 54 -6.300 -2.515 0.278 392 HD21 LEU 54 3HD2 LEU 54 -9.745 -3.986 0.645 393 HD22 LEU 54 1HD2 LEU 54 -8.612 -4.332 1.951 394 HD23 LEU 54 2HD2 LEU 54 -9.048 -5.599 0.803 395 H SER 55 H SER 55 -7.792 -6.572 -2.744 396 HA SER 55 HA SER 55 -5.903 -8.328 -1.687 397 HB2 SER 55 2HB SER 55 -8.218 -8.618 -2.919 398 HB3 SER 55 1HB SER 55 -7.207 -8.893 -4.336 399 HG SER 55 HG SER 55 -6.533 -10.727 -3.505 400 H GLU 56 H GLU 56 -5.734 -6.553 -4.730 401 HA GLU 56 HA GLU 56 -3.379 -8.018 -5.711 402 HB2 GLU 56 2HB GLU 56 -5.262 -6.895 -7.061 403 HB3 GLU 56 1HB GLU 56 -4.500 -5.361 -6.638 404 HG2 GLU 56 2HG GLU 56 -3.461 -5.832 -8.666 405 HG3 GLU 56 1HG GLU 56 -2.316 -6.536 -7.523 406 H TYR 57 H TYR 57 -4.115 -5.007 -4.036 407 HA TYR 57 HA TYR 57 -1.477 -3.840 -4.302 408 HB2 TYR 57 2HB TYR 57 -3.584 -2.592 -3.935 409 HB3 TYR 57 1HB TYR 57 -3.733 -3.333 -2.347 410 HD1 TYR 57 2HD TYR 57 -0.671 -2.037 -4.096 411 HD2 TYR 57 1HD TYR 57 -3.435 -1.611 -0.845 412 HE1 TYR 57 2HE TYR 57 0.794 -0.324 -3.065 413 HE2 TYR 57 1HE TYR 57 -1.972 0.102 0.193 414 HH TYR 57 HH TYR 57 0.978 0.511 -0.263 415 H ASN 58 H ASN 58 -3.172 -5.215 -1.443 416 HA ASN 58 HA ASN 58 -1.027 -5.176 0.372 417 HB2 ASN 58 2HB ASN 58 -3.248 -7.217 -0.034 418 HB3 ASN 58 1HB ASN 58 -2.278 -7.085 1.434 419 HD21 ASN 58 1HD2 ASN 58 -4.234 -6.485 2.671 420 HD22 ASN 58 2HD2 ASN 58 -4.897 -4.929 2.530 421 H LEU 59 H LEU 59 -1.832 -7.567 -2.129 422 HA LEU 59 HA LEU 59 0.347 -9.395 -1.502 423 HB2 LEU 59 2HB LEU 59 -1.895 -9.741 -2.803 424 HB3 LEU 59 1HB LEU 59 -1.037 -9.039 -4.172 425 HG LEU 59 HG LEU 59 -0.923 -11.514 -4.191 426 HD11 LEU 59 1HD1 LEU 59 1.049 -9.828 -4.812 427 HD12 LEU 59 2HD1 LEU 59 1.275 -11.576 -4.889 428 HD13 LEU 59 3HD1 LEU 59 1.856 -10.673 -3.489 429 HD21 LEU 59 3HD2 LEU 59 -0.158 -12.775 -2.420 430 HD22 LEU 59 1HD2 LEU 59 -0.807 -11.410 -1.512 431 HD23 LEU 59 2HD2 LEU 59 0.922 -11.505 -1.845 432 H TYR 60 H TYR 60 -0.174 -6.609 -3.599 433 HA TYR 60 HA TYR 60 2.047 -6.617 -5.311 434 HB2 TYR 60 2HB TYR 60 0.039 -4.915 -4.583 435 HB3 TYR 60 1HB TYR 60 1.426 -4.078 -3.904 436 HD1 TYR 60 2HD TYR 60 0.600 -5.957 -7.045 437 HD2 TYR 60 1HD TYR 60 2.386 -2.487 -5.262 438 HE1 TYR 60 2HE TYR 60 1.131 -5.075 -9.296 439 HE2 TYR 60 1HE TYR 60 2.914 -1.606 -7.509 440 HH TYR 60 HH TYR 60 1.808 -2.022 -9.963 441 H ARG 61 H ARG 61 1.884 -5.076 -2.083 442 HA ARG 61 HA ARG 61 4.483 -4.206 -1.716 443 HB2 ARG 61 2HB ARG 61 2.324 -5.322 0.002 444 HB3 ARG 61 1HB ARG 61 3.912 -5.148 0.749 445 HG2 ARG 61 2HG ARG 61 3.854 -2.863 0.666 446 HG3 ARG 61 1HG ARG 61 2.977 -2.837 -0.864 447 HD2 ARG 61 2HD ARG 61 1.354 -2.062 0.665 448 HD3 ARG 61 1HD ARG 61 0.990 -3.798 0.583 449 HE ARG 61 HE ARG 61 1.796 -4.015 2.791 450 HH11 ARG 61 1HH2 ARG 61 2.933 -1.050 1.359 451 HH12 ARG 61 2HH2 ARG 61 3.664 -0.493 2.824 452 HH21 ARG 61 1HH1 ARG 61 2.752 -3.270 4.678 453 HH22 ARG 61 2HH1 ARG 61 3.564 -1.739 4.690 454 H ASN 62 H ASN 62 3.347 -7.563 -1.208 455 HA ASN 62 HA ASN 62 6.002 -8.517 -0.431 456 HB2 ASN 62 2HB ASN 62 3.352 -9.807 -1.141 457 HB3 ASN 62 1HB ASN 62 4.764 -10.738 -0.641 458 HD21 ASN 62 1HD2 ASN 62 2.086 -8.894 0.518 459 HD22 ASN 62 2HD2 ASN 62 2.538 -8.857 2.153 460 H ALA 63 H ALA 63 3.865 -9.116 -3.254 461 HA ALA 63 HA ALA 63 5.577 -10.628 -4.860 462 HB1 ALA 63 1HB ALA 63 3.119 -9.408 -5.064 463 HB2 ALA 63 2HB ALA 63 3.909 -10.285 -6.372 464 HB3 ALA 63 3HB ALA 63 4.057 -8.531 -6.272 465 H GLN 64 H GLN 64 5.137 -7.105 -5.422 466 HA GLN 64 HA GLN 64 7.350 -6.696 -7.099 467 HB2 GLN 64 2HB GLN 64 5.862 -5.015 -5.093 468 HB3 GLN 64 1HB GLN 64 7.243 -4.329 -5.944 469 HG2 GLN 64 2HG GLN 64 4.767 -5.524 -7.236 470 HG3 GLN 64 1HG GLN 64 5.170 -3.810 -7.154 471 HE21 GLN 64 1HE2 GLN 64 7.999 -4.045 -7.745 472 HE22 GLN 64 2HE2 GLN 64 8.150 -4.554 -9.356 473 H SER 65 H SER 65 7.297 -6.959 -3.578 474 HA SER 65 HA SER 65 10.046 -6.066 -3.185 475 HB2 SER 65 2HB SER 65 8.421 -5.872 -1.412 476 HB3 SER 65 1HB SER 65 8.012 -7.582 -1.524 477 HG SER 65 HG SER 65 9.988 -8.100 -0.690 478 H ASN 66 H ASN 66 8.434 -9.148 -3.753 479 HA ASN 66 HA ASN 66 10.883 -10.715 -3.220 480 HB2 ASN 66 2HB ASN 66 8.004 -11.216 -3.912 481 HB3 ASN 66 1HB ASN 66 9.177 -12.514 -4.140 482 HD21 ASN 66 1HD2 ASN 66 8.511 -10.029 -1.592 483 HD22 ASN 66 2HD2 ASN 66 8.653 -11.116 -0.297 484 H THR 67 H THR 67 9.243 -9.266 -5.941 485 HA THR 67 HA THR 67 10.614 -10.956 -7.935 486 HB THR 67 HB THR 67 9.326 -9.499 -9.496 487 HG1 THR 67 1HG THR 67 8.877 -7.604 -8.748 488 HG21 THR 67 3HG2 THR 67 8.136 -11.405 -8.729 489 HG22 THR 67 1HG2 THR 67 7.027 -10.054 -8.497 490 HG23 THR 67 2HG2 THR 67 7.912 -10.716 -7.121 491 H ALA 68 H ALA 68 10.729 -7.582 -6.759 492 HA ALA 68 HA ALA 68 12.627 -6.554 -8.612 493 HB1 ALA 68 1HB ALA 68 11.696 -4.915 -7.302 494 HB2 ALA 68 2HB ALA 68 13.151 -5.180 -6.342 495 HB3 ALA 68 3HB ALA 68 11.636 -5.949 -5.874 496 H LYS 69 H LYS 69 13.105 -8.361 -5.585 497 HA LYS 69 HA LYS 69 15.897 -8.058 -5.252 498 HB2 LYS 69 2HB LYS 69 13.853 -10.175 -4.637 499 HB3 LYS 69 1HB LYS 69 15.553 -10.490 -4.290 500 HG2 LYS 69 2HG LYS 69 15.441 -8.092 -3.176 501 HG3 LYS 69 1HG LYS 69 13.718 -8.455 -3.077 502 HD2 LYS 69 2HD LYS 69 14.054 -10.309 -1.680 503 HD3 LYS 69 1HD LYS 69 15.743 -10.484 -2.161 504 HE2 LYS 69 2HE LYS 69 15.021 -7.902 -0.862 505 HE3 LYS 69 1HE LYS 69 15.037 -9.339 0.181 506 HZ1 LYS 69 3HZ LYS 69 17.214 -8.461 -1.643 507 HZ2 LYS 69 1HZ LYS 69 17.217 -9.913 -0.766 508 HZ3 LYS 69 2HZ LYS 69 17.250 -8.425 0.054 509 H ALA 70 H ALA 70 14.256 -10.816 -6.858 510 HA ALA 70 HA ALA 70 16.629 -11.954 -7.984 511 HB1 ALA 70 1HB ALA 70 13.919 -12.130 -9.279 512 HB2 ALA 70 2HB ALA 70 14.152 -12.801 -7.665 513 HB3 ALA 70 3HB ALA 70 15.107 -13.408 -9.018 514 H PHE 71 H PHE 71 14.458 -9.409 -9.080 515 HA PHE 71 HA PHE 71 15.185 -9.270 -11.829 516 HB2 PHE 71 2HB PHE 71 13.545 -7.937 -10.034 517 HB3 PHE 71 1HB PHE 71 14.728 -6.702 -10.465 518 HD1 PHE 71 1HD PHE 71 12.143 -9.002 -11.774 519 HD2 PHE 71 2HD PHE 71 14.854 -5.802 -12.701 520 HE1 PHE 71 1HE PHE 71 10.998 -8.660 -13.948 521 HE2 PHE 71 2HE PHE 71 13.710 -5.460 -14.875 522 HZ PHE 71 HZ PHE 71 11.782 -6.890 -15.498 523 H LYS 72 H LYS 72 16.404 -7.168 -9.184 524 HA LYS 72 HA LYS 72 18.538 -6.011 -10.682 525 HB2 LYS 72 2HB LYS 72 19.357 -5.367 -8.426 526 HB3 LYS 72 1HB LYS 72 17.617 -5.125 -8.574 527 HG2 LYS 72 2HG LYS 72 17.144 -7.131 -7.344 528 HG3 LYS 72 1HG LYS 72 18.830 -7.646 -7.417 529 HD2 LYS 72 2HD LYS 72 19.362 -5.455 -6.162 530 HD3 LYS 72 1HD LYS 72 17.634 -5.384 -5.817 531 HE2 LYS 72 2HE LYS 72 18.285 -6.620 -3.974 532 HE3 LYS 72 1HE LYS 72 18.132 -7.963 -5.123 533 HZ1 LYS 72 3HZ LYS 72 20.444 -7.681 -5.733 534 HZ2 LYS 72 1HZ LYS 72 20.323 -7.943 -4.061 535 HZ3 LYS 72 2HZ LYS 72 20.603 -6.376 -4.657 536 H ASP 73 H ASP 73 18.287 -9.095 -9.034 537 HA ASP 73 HA ASP 73 21.136 -9.628 -8.848 538 HB2 ASP 73 2HB ASP 73 19.269 -10.648 -7.491 539 HB3 ASP 73 1HB ASP 73 18.789 -11.547 -8.930 540 H ILE 74 H ILE 74 18.586 -10.897 -11.035 541 HA ILE 74 HA ILE 74 20.119 -12.494 -12.739 542 HB ILE 74 HB ILE 74 17.824 -10.607 -13.370 543 HG12 ILE 74 2HG1 ILE 74 17.512 -13.555 -13.033 544 HG13 ILE 74 1HG1 ILE 74 17.787 -12.606 -11.574 545 HG21 ILE 74 1HG2 ILE 74 18.658 -11.244 -15.486 546 HG22 ILE 74 2HG2 ILE 74 17.403 -12.441 -15.163 547 HG23 ILE 74 3HG2 ILE 74 19.101 -12.856 -14.925 548 HD11 ILE 74 3HD1 ILE 74 15.929 -11.043 -12.660 549 HD12 ILE 74 1HD1 ILE 74 15.482 -12.458 -11.707 550 HD13 ILE 74 2HD1 ILE 74 15.474 -12.543 -13.468 551 H ASP 75 H ASP 75 19.669 -8.956 -12.945 552 HA ASP 75 HA ASP 75 21.080 -8.472 -15.365 553 HB2 ASP 75 2HB ASP 75 20.529 -6.952 -12.823 554 HB3 ASP 75 1HB ASP 75 21.532 -6.226 -14.080 555 H ALA 76 H ALA 76 22.235 -8.852 -12.032 556 HA ALA 76 HA ALA 76 24.929 -8.049 -12.326 557 HB1 ALA 76 1HB ALA 76 25.182 -9.090 -10.250 558 HB2 ALA 76 2HB ALA 76 24.134 -10.439 -10.689 559 HB3 ALA 76 3HB ALA 76 23.434 -8.864 -10.313 560 H ALA 77 H ALA 77 23.318 -10.906 -13.545 561 HA ALA 77 HA ALA 77 25.877 -12.310 -14.065 562 HB1 ALA 77 1HB ALA 77 24.362 -14.114 -14.762 563 HB2 ALA 77 2HB ALA 77 22.989 -13.011 -14.688 564 HB3 ALA 77 3HB ALA 77 23.837 -13.464 -13.210 565 H ILE 78 H ILE 78 23.586 -10.247 -15.698 566 HA ILE 78 HA ILE 78 24.217 -11.130 -18.404 567 HB ILE 78 HB ILE 78 22.974 -8.574 -17.337 568 HG12 ILE 78 2HG1 ILE 78 21.645 -11.120 -18.325 569 HG13 ILE 78 1HG1 ILE 78 21.838 -10.701 -16.622 570 HG21 ILE 78 1HG2 ILE 78 23.650 -8.313 -19.647 571 HG22 ILE 78 2HG2 ILE 78 21.904 -8.561 -19.618 572 HG23 ILE 78 3HG2 ILE 78 22.976 -9.887 -20.069 573 HD11 ILE 78 3HD1 ILE 78 20.688 -8.450 -17.325 574 HD12 ILE 78 1HD1 ILE 78 19.694 -9.885 -17.071 575 HD13 ILE 78 2HD1 ILE 78 20.121 -9.386 -18.709 576 H ILE 79 H ILE 79 25.892 -9.217 -16.106 577 HA ILE 79 HA ILE 79 27.416 -7.801 -18.258 578 HB ILE 79 HB ILE 79 27.171 -7.317 -15.267 579 HG12 ILE 79 2HG1 ILE 79 25.998 -5.807 -17.629 580 HG13 ILE 79 1HG1 ILE 79 25.090 -6.893 -16.578 581 HG21 ILE 79 1HG2 ILE 79 28.690 -5.623 -15.469 582 HG22 ILE 79 2HG2 ILE 79 28.149 -5.197 -17.092 583 HG23 ILE 79 3HG2 ILE 79 29.251 -6.552 -16.858 584 HD11 ILE 79 3HD1 ILE 79 25.905 -5.421 -14.631 585 HD12 ILE 79 1HD1 ILE 79 24.686 -4.723 -15.698 586 HD13 ILE 79 2HD1 ILE 79 26.378 -4.255 -15.866 587 H GLN 80 H GLN 80 27.704 -9.930 -15.441 588 HA GLN 80 HA GLN 80 30.647 -10.152 -15.804 589 HB2 GLN 80 2HB GLN 80 28.672 -11.309 -13.803 590 HB3 GLN 80 1HB GLN 80 30.424 -11.490 -13.704 591 HG2 GLN 80 2HG GLN 80 30.656 -9.018 -13.626 592 HG3 GLN 80 1HG GLN 80 28.898 -8.871 -13.646 593 HE21 GLN 80 1HE2 GLN 80 28.035 -8.623 -11.588 594 HE22 GLN 80 2HE2 GLN 80 28.694 -9.273 -10.165 595 H ASN 81 H ASN 81 27.662 -11.980 -16.211 596 HA ASN 81 HA ASN 81 29.214 -14.300 -17.309 597 HB2 ASN 81 2HB ASN 81 26.756 -13.920 -15.694 598 HB3 ASN 81 1HB ASN 81 26.640 -15.161 -16.943 599 HD21 ASN 81 1HD2 ASN 81 28.644 -14.153 -14.138 600 HD22 ASN 81 2HD2 ASN 81 29.240 -15.707 -13.807 601 H PHE 82 H PHE 82 27.405 -11.625 -18.260 602 HA PHE 82 HA PHE 82 26.432 -10.964 -20.260 603 HB2 PHE 82 2HB PHE 82 27.553 -11.694 -22.112 604 HB3 PHE 82 1HB PHE 82 28.586 -12.452 -20.915 605 HD1 PHE 82 2HD PHE 82 25.441 -13.184 -22.862 606 HD2 PHE 82 1HD PHE 82 29.091 -14.714 -21.187 607 HE1 PHE 82 2HE PHE 82 24.990 -15.392 -23.894 608 HE2 PHE 82 1HE PHE 82 28.644 -16.916 -22.231 609 HZ PHE 82 HZ PHE 82 26.591 -17.257 -23.580 610 H ARG 83 H ARG 83 25.618 -14.036 -18.876 611 HA ARG 83 HA ARG 83 23.698 -15.377 -19.026 612 HB2 ARG 83 2HB ARG 83 22.862 -12.488 -19.124 613 HB3 ARG 83 1HB ARG 83 21.666 -13.782 -19.010 614 HG2 ARG 83 2HG ARG 83 24.015 -13.600 -17.123 615 HG3 ARG 83 1HG ARG 83 22.486 -12.787 -16.791 616 HD2 ARG 83 2HD ARG 83 22.795 -15.770 -17.303 617 HD3 ARG 83 1HD ARG 83 22.548 -15.022 -15.714 618 HE ARG 83 HE ARG 83 20.497 -13.966 -17.231 619 HH11 ARG 83 1HH2 ARG 83 21.616 -17.197 -16.562 620 HH12 ARG 83 2HH2 ARG 83 20.042 -17.893 -16.727 621 HH21 ARG 83 1HH1 ARG 83 18.467 -14.895 -17.440 622 HH22 ARG 83 2HH1 ARG 83 18.272 -16.602 -17.221
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