NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620208 | 5t43 | 30163 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 1HT HIS 1 -12.863 -21.780 -9.099 2 H2 HIS 1 2HT HIS 1 -12.457 -22.992 -10.217 3 H3 HIS 1 3HT HIS 1 -12.044 -21.374 -10.527 4 HA HIS 1 HA HIS 1 -11.024 -22.595 -8.073 5 HB2 HIS 1 2HB HIS 1 -10.740 -24.141 -10.192 6 HB3 HIS 1 1HB HIS 1 -9.505 -22.961 -10.634 7 HD1 HIS 1 1HD HIS 1 -10.375 -25.451 -7.926 8 HD2 HIS 1 2HD HIS 1 -7.154 -23.073 -9.088 9 HE1 HIS 1 1HE HIS 1 -8.402 -26.178 -6.513 10 H HIS 2 HN HIS 2 -11.652 -19.981 -8.449 11 HA HIS 2 HA HIS 2 -9.227 -18.612 -9.379 12 HB2 HIS 2 2HB HIS 2 -12.047 -17.930 -9.176 13 HB3 HIS 2 1HB HIS 2 -11.023 -16.696 -8.441 14 HD1 HIS 2 1HD HIS 2 -11.372 -18.620 -11.705 15 HD2 HIS 2 2HD HIS 2 -9.691 -15.082 -10.275 16 HE1 HIS 2 1HE HIS 2 -10.530 -17.357 -13.731 17 H LEU 3 HN LEU 3 -11.407 -17.811 -6.697 18 HA LEU 3 HA LEU 3 -10.998 -17.558 -4.437 19 HB2 LEU 3 2HB LEU 3 -9.286 -19.535 -4.994 20 HB3 LEU 3 1HB LEU 3 -8.115 -18.257 -4.667 21 HG LEU 3 HG LEU 3 -9.626 -17.810 -2.557 22 HD11 LEU 3 1HD1 LEU 3 -11.016 -19.507 -1.852 23 HD12 LEU 3 2HD1 LEU 3 -10.068 -20.759 -2.659 24 HD13 LEU 3 3HD1 LEU 3 -11.167 -19.743 -3.593 25 HD21 LEU 3 1HD2 LEU 3 -7.343 -18.482 -2.300 26 HD22 LEU 3 2HD2 LEU 3 -7.677 -20.100 -2.917 27 HD23 LEU 3 3HD2 LEU 3 -8.289 -19.615 -1.335 28 H LEU 4 HN LEU 4 -8.456 -16.673 -3.333 29 HA LEU 4 HA LEU 4 -7.640 -14.305 -4.773 30 HB2 LEU 4 2HB LEU 4 -9.936 -13.823 -3.646 31 HB3 LEU 4 1HB LEU 4 -9.000 -13.781 -2.155 32 HG LEU 4 HG LEU 4 -7.418 -12.253 -3.700 33 HD11 LEU 4 1HD1 LEU 4 -10.235 -11.751 -4.697 34 HD12 LEU 4 2HD1 LEU 4 -8.916 -12.428 -5.649 35 HD13 LEU 4 3HD1 LEU 4 -8.823 -10.763 -5.072 36 HD21 LEU 4 1HD2 LEU 4 -8.380 -11.634 -1.497 37 HD22 LEU 4 2HD2 LEU 4 -9.908 -11.249 -2.290 38 HD23 LEU 4 3HD2 LEU 4 -8.466 -10.298 -2.643 39 H ALA 5 HN ALA 5 -7.921 -15.001 -1.276 40 HA ALA 5 HA ALA 5 -5.249 -15.889 -0.940 41 HB1 ALA 5 1HB ALA 5 -4.913 -13.447 -1.585 42 HB2 ALA 5 2HB ALA 5 -4.157 -13.961 -0.086 43 HB3 ALA 5 3HB ALA 5 -5.661 -13.038 -0.041 44 H SER 6 HN SER 6 -7.089 -17.188 0.211 45 HA SER 6 HA SER 6 -6.734 -16.874 2.986 46 HB2 SER 6 2HB SER 6 -8.156 -15.020 3.047 47 HB3 SER 6 1HB SER 6 -9.238 -15.688 1.828 48 HG SER 6 HG SER 6 -8.882 -17.157 4.164 49 H ASP 7 HN ASP 7 -6.314 -19.086 1.803 50 HA ASP 7 HA ASP 7 -8.655 -20.762 1.506 51 HB2 ASP 7 2HB ASP 7 -6.336 -20.958 0.310 52 HB3 ASP 7 1HB ASP 7 -5.855 -21.815 1.773 53 H GLU 8 HN GLU 8 -5.767 -21.153 3.563 54 HA GLU 8 HA GLU 8 -7.518 -21.761 5.847 55 HB2 GLU 8 2HB GLU 8 -5.192 -23.496 4.977 56 HB3 GLU 8 1HB GLU 8 -6.204 -23.746 6.401 57 HG2 GLU 8 2HG GLU 8 -8.155 -23.649 4.589 58 HG3 GLU 8 1HG GLU 8 -6.856 -24.167 3.515 59 H GLU 9 HN GLU 9 -4.836 -20.219 4.543 60 HA GLU 9 HA GLU 9 -4.162 -18.759 6.814 61 HB2 GLU 9 2HB GLU 9 -1.904 -19.747 7.311 62 HB3 GLU 9 1HB GLU 9 -3.249 -20.758 7.823 63 HG2 GLU 9 2HG GLU 9 -2.663 -21.440 5.122 64 HG3 GLU 9 1HG GLU 9 -1.133 -21.393 5.995 65 H ILE 10 HN ILE 10 -4.560 -18.170 4.154 66 HA ILE 10 HA ILE 10 -3.589 -17.341 2.215 67 HB ILE 10 HB ILE 10 -1.669 -15.917 4.020 68 HG12 ILE 10 2HG1 ILE 10 -4.681 -15.753 4.055 69 HG13 ILE 10 1HG1 ILE 10 -3.560 -15.759 5.418 70 HG21 ILE 10 1HG2 ILE 10 -3.531 -14.769 1.963 71 HG22 ILE 10 2HG2 ILE 10 -2.066 -15.606 1.453 72 HG23 ILE 10 3HG2 ILE 10 -1.953 -14.175 2.477 73 HD11 ILE 10 1HD1 ILE 10 -2.665 -13.531 4.361 74 HD12 ILE 10 2HD1 ILE 10 -4.163 -13.495 5.291 75 HD13 ILE 10 3HD1 ILE 10 -4.220 -13.508 3.529 76 H GLN 11 HN GLN 11 -2.309 -19.840 3.245 77 HA GLN 11 HA GLN 11 -0.494 -21.155 2.738 78 HB2 GLN 11 2HB GLN 11 -1.054 -19.932 0.460 79 HB3 GLN 11 1HB GLN 11 0.492 -19.138 0.764 80 HG2 GLN 11 2HG GLN 11 1.051 -21.074 -0.488 81 HG3 GLN 11 1HG GLN 11 1.430 -21.494 1.182 82 HE21 GLN 11 1HE2 GLN 11 -1.579 -21.527 -0.830 83 HE22 GLN 11 2HE2 GLN 11 -2.024 -23.101 -0.382 84 H ASP 12 HN ASP 12 -0.198 -19.446 4.918 85 HA ASP 12 HA ASP 12 1.389 -18.585 6.335 86 HB2 ASP 12 2HB ASP 12 2.628 -20.690 4.845 87 HB3 ASP 12 1HB ASP 12 3.810 -19.408 5.105 88 H VAL 13 HN VAL 13 1.552 -16.429 6.260 89 HA VAL 13 HA VAL 13 2.951 -15.183 3.975 90 HB VAL 13 HB VAL 13 1.874 -13.078 5.218 91 HG11 VAL 13 1HG1 VAL 13 -0.093 -13.364 3.700 92 HG12 VAL 13 2HG1 VAL 13 0.416 -15.029 3.411 93 HG13 VAL 13 3HG1 VAL 13 1.444 -13.691 2.898 94 HG21 VAL 13 1HG2 VAL 13 -0.068 -13.541 6.429 95 HG22 VAL 13 2HG2 VAL 13 0.978 -14.860 6.944 96 HG23 VAL 13 3HG2 VAL 13 -0.254 -15.141 5.717 97 H SER 14 HN SER 14 2.665 -15.169 7.487 98 HA SER 14 HA SER 14 4.110 -13.517 8.733 99 HB2 SER 14 2HB SER 14 5.636 -15.756 9.428 100 HB3 SER 14 1HB SER 14 4.162 -15.182 10.205 101 HG SER 14 HG SER 14 3.452 -17.062 9.536 102 H GLY 15 HN GLY 15 6.057 -12.538 8.952 103 HA2 GLY 15 2HA GLY 15 8.530 -12.866 8.628 104 HA3 GLY 15 1HA GLY 15 8.133 -13.255 6.962 105 H THR 16 HN THR 16 9.933 -11.319 7.457 106 HA THR 16 HA THR 16 8.622 -8.730 7.249 107 HB THR 16 HB THR 16 11.566 -8.923 7.108 108 HG1 THR 16 1HG THR 16 11.367 -10.404 8.661 109 HG21 THR 16 1HG2 THR 16 11.457 -6.938 8.383 110 HG22 THR 16 2HG2 THR 16 9.840 -7.310 8.980 111 HG23 THR 16 3HG2 THR 16 10.070 -6.825 7.299 112 H TRP 17 HN TRP 17 7.812 -8.530 5.187 113 HA TRP 17 HA TRP 17 9.423 -9.299 2.900 114 HB2 TRP 17 2HB TRP 17 6.738 -7.891 2.983 115 HB3 TRP 17 1HB TRP 17 7.477 -8.656 1.581 116 HD1 TRP 17 1HD TRP 17 6.611 -9.834 5.193 117 HE1 TRP 17 1HE TRP 17 5.527 -12.160 5.032 118 HE3 TRP 17 3HE TRP 17 6.728 -10.513 0.136 119 HZ2 TRP 17 2HZ TRP 17 4.792 -14.053 3.028 120 HZ3 TRP 17 3HZ TRP 17 5.811 -12.576 -0.873 121 HH2 TRP 17 2HH TRP 17 4.847 -14.352 0.565 122 H TYR 18 HN TYR 18 8.748 -7.344 1.066 123 HA TYR 18 HA TYR 18 9.567 -4.811 2.249 124 HB2 TYR 18 2HB TYR 18 11.067 -5.759 -0.176 125 HB3 TYR 18 1HB TYR 18 11.506 -4.497 0.976 126 HD1 TYR 18 1HD TYR 18 10.889 -8.183 0.762 127 HD2 TYR 18 2HD TYR 18 12.954 -4.994 2.764 128 HE1 TYR 18 1HE TYR 18 12.168 -9.842 2.086 129 HE2 TYR 18 2HE TYR 18 14.235 -6.655 4.085 130 HH TYR 18 HH TYR 18 13.592 -10.141 3.775 131 H LEU 19 HN LEU 19 9.422 -3.041 0.474 132 HA LEU 19 HA LEU 19 7.098 -3.674 -1.229 133 HB2 LEU 19 2HB LEU 19 7.262 -1.783 0.684 134 HB3 LEU 19 1HB LEU 19 7.882 -0.862 -0.684 135 HG LEU 19 HG LEU 19 5.799 -1.866 -1.932 136 HD11 LEU 19 1HD1 LEU 19 4.690 -1.767 0.868 137 HD12 LEU 19 2HD1 LEU 19 5.325 -3.268 0.200 138 HD13 LEU 19 3HD1 LEU 19 3.965 -2.466 -0.578 139 HD21 LEU 19 1HD2 LEU 19 5.771 0.358 0.116 140 HD22 LEU 19 2HD2 LEU 19 4.421 0.069 -0.979 141 HD23 LEU 19 3HD2 LEU 19 6.007 0.496 -1.626 142 H LYS 20 HN LYS 20 7.340 -3.622 -3.352 143 HA LYS 20 HA LYS 20 9.855 -2.500 -4.436 144 HB2 LYS 20 2HB LYS 20 8.119 -4.635 -5.668 145 HB3 LYS 20 1HB LYS 20 9.752 -4.165 -6.147 146 HG2 LYS 20 2HG LYS 20 10.062 -4.712 -3.461 147 HG3 LYS 20 1HG LYS 20 8.883 -5.925 -3.958 148 HD2 LYS 20 2HD LYS 20 11.552 -5.395 -5.294 149 HD3 LYS 20 1HD LYS 20 11.161 -6.770 -4.269 150 HE2 LYS 20 2HE LYS 20 9.114 -6.819 -6.110 151 HE3 LYS 20 1HE LYS 20 10.490 -6.301 -7.085 152 HZ1 LYS 20 1HZ LYS 20 10.134 -8.790 -5.555 153 HZ2 LYS 20 2HZ LYS 20 11.699 -8.207 -5.869 154 HZ3 LYS 20 3HZ LYS 20 10.655 -8.583 -7.156 155 H ALA 21 HN ALA 21 6.476 -2.049 -4.442 156 HA ALA 21 HA ALA 21 6.717 0.032 -6.428 157 HB1 ALA 21 1HB ALA 21 6.247 -2.402 -7.512 158 HB2 ALA 21 2HB ALA 21 5.641 -0.892 -8.201 159 HB3 ALA 21 3HB ALA 21 4.595 -1.881 -7.181 160 H MET 22 HN MET 22 5.205 1.601 -6.106 161 HA MET 22 HA MET 22 2.761 0.969 -4.638 162 HB2 MET 22 2HB MET 22 4.286 1.450 -2.855 163 HB3 MET 22 1HB MET 22 4.918 2.862 -3.689 164 HG2 MET 22 2HG MET 22 2.054 3.130 -3.385 165 HG3 MET 22 1HG MET 22 2.790 2.767 -1.828 166 HE1 MET 22 1HE MET 22 2.982 4.599 -0.408 167 HE2 MET 22 2HE MET 22 1.716 5.388 -1.341 168 HE3 MET 22 3HE MET 22 3.147 6.299 -0.865 169 H THR 23 HN THR 23 1.349 1.662 -6.105 170 HA THR 23 HA THR 23 1.744 3.990 -7.743 171 HB THR 23 HB THR 23 0.424 2.032 -8.502 172 HG1 THR 23 1HG THR 23 -1.436 4.078 -8.421 173 HG21 THR 23 1HG2 THR 23 -1.953 2.906 -6.991 174 HG22 THR 23 2HG2 THR 23 -0.695 2.134 -6.023 175 HG23 THR 23 3HG2 THR 23 -1.406 1.276 -7.391 176 H VAL 24 HN VAL 24 1.158 6.026 -7.379 177 HA VAL 24 HA VAL 24 -0.694 6.597 -5.142 178 HB VAL 24 HB VAL 24 1.371 8.629 -5.466 179 HG11 VAL 24 1HG1 VAL 24 0.632 6.927 -3.075 180 HG12 VAL 24 2HG1 VAL 24 -0.318 8.320 -3.592 181 HG13 VAL 24 3HG1 VAL 24 1.353 8.536 -3.067 182 HG21 VAL 24 1HG2 VAL 24 3.113 7.201 -4.296 183 HG22 VAL 24 2HG2 VAL 24 2.853 6.803 -5.995 184 HG23 VAL 24 3HG2 VAL 24 2.145 5.795 -4.733 185 H ASP 25 HN ASP 25 -2.425 7.445 -6.085 186 HA ASP 25 HA ASP 25 -2.846 8.540 -8.499 187 HB2 ASP 25 2HB ASP 25 -3.988 9.887 -6.057 188 HB3 ASP 25 1HB ASP 25 -4.742 9.660 -7.634 189 H ARG 26 HN ARG 26 -3.014 10.723 -9.328 190 HA ARG 26 HA ARG 26 -0.731 12.354 -8.469 191 HB2 ARG 26 2HB ARG 26 -2.341 12.982 -10.904 192 HB3 ARG 26 1HB ARG 26 -0.606 13.149 -10.631 193 HG2 ARG 26 2HG ARG 26 -0.459 10.627 -10.580 194 HG3 ARG 26 1HG ARG 26 -2.145 10.580 -11.095 195 HD2 ARG 26 2HD ARG 26 0.103 11.950 -12.599 196 HD3 ARG 26 1HD ARG 26 -0.593 10.388 -13.019 197 HE ARG 26 HE ARG 26 -2.551 12.505 -12.848 198 HH11 ARG 26 1HH1 ARG 26 -3.526 13.099 -14.809 199 HH12 ARG 26 2HH1 ARG 26 -2.821 12.595 -16.309 200 HH21 ARG 26 1HH2 ARG 26 -0.195 10.899 -14.810 201 HH22 ARG 26 2HH2 ARG 26 -0.935 11.350 -16.310 202 H GLU 27 HN GLU 27 -3.474 12.236 -7.161 203 HA GLU 27 HA GLU 27 -4.419 14.979 -7.595 204 HB2 GLU 27 2HB GLU 27 -5.526 12.749 -5.869 205 HB3 GLU 27 1HB GLU 27 -6.284 14.322 -6.119 206 HG2 GLU 27 2HG GLU 27 -5.536 12.878 -8.590 207 HG3 GLU 27 1HG GLU 27 -6.821 12.131 -7.643 208 H PHE 28 HN PHE 28 -3.031 12.908 -5.095 209 HA PHE 28 HA PHE 28 -2.592 15.302 -3.409 210 HB2 PHE 28 2HB PHE 28 -2.535 12.467 -2.403 211 HB3 PHE 28 1HB PHE 28 -2.752 13.956 -1.487 212 HD1 PHE 28 1HD PHE 28 -4.474 11.174 -2.444 213 HD2 PHE 28 2HD PHE 28 -4.809 15.452 -2.715 214 HE1 PHE 28 1HE PHE 28 -6.933 10.969 -2.685 215 HE2 PHE 28 2HE PHE 28 -7.265 15.242 -2.958 216 HZ PHE 28 HZ PHE 28 -8.328 13.003 -2.944 217 HA PRO 29 HA PRO 29 1.574 13.806 -4.697 218 HB2 PRO 29 2HB PRO 29 2.646 16.241 -5.290 219 HB3 PRO 29 1HB PRO 29 1.684 15.299 -6.442 220 HG2 PRO 29 2HG PRO 29 0.941 17.687 -4.873 221 HG3 PRO 29 1HG PRO 29 0.378 17.153 -6.462 222 HD2 PRO 29 2HD PRO 29 -1.015 16.861 -4.042 223 HD3 PRO 29 1HD PRO 29 -1.386 16.019 -5.562 224 H GLU 30 HN GLU 30 2.031 17.069 -3.545 225 HA GLU 30 HA GLU 30 3.703 17.737 -2.020 226 HB2 GLU 30 2HB GLU 30 1.166 16.923 -0.615 227 HB3 GLU 30 1HB GLU 30 2.479 17.747 0.228 228 HG2 GLU 30 2HG GLU 30 2.240 19.701 -1.026 229 HG3 GLU 30 1HG GLU 30 1.453 18.864 -2.364 230 H MET 31 HN MET 31 2.104 15.122 -0.323 231 HA MET 31 HA MET 31 4.484 14.299 1.017 232 HB2 MET 31 2HB MET 31 3.106 12.670 2.055 233 HB3 MET 31 1HB MET 31 2.082 14.087 1.830 234 HG2 MET 31 2HG MET 31 1.433 12.959 -0.432 235 HG3 MET 31 1HG MET 31 2.048 11.486 0.323 236 HE1 MET 31 1HE MET 31 1.396 10.606 2.508 237 HE2 MET 31 2HE MET 31 -0.049 10.996 3.438 238 HE3 MET 31 3HE MET 31 1.330 12.092 3.465 239 H ASN 32 HN ASN 32 6.080 13.265 0.042 240 HA ASN 32 HA ASN 32 5.424 11.277 -2.055 241 HB2 ASN 32 2HB ASN 32 7.840 13.094 -1.948 242 HB3 ASN 32 1HB ASN 32 7.493 11.896 -3.193 243 HD21 ASN 32 1HD2 ASN 32 4.673 12.373 -3.484 244 HD22 ASN 32 2HD2 ASN 32 4.469 13.926 -4.138 245 H LEU 33 HN LEU 33 6.067 9.289 -1.631 246 HA LEU 33 HA LEU 33 7.552 8.631 0.704 247 HB2 LEU 33 2HB LEU 33 5.849 7.278 -0.963 248 HB3 LEU 33 1HB LEU 33 7.408 6.593 -1.410 249 HG LEU 33 HG LEU 33 6.338 6.790 1.414 250 HD11 LEU 33 1HD1 LEU 33 5.823 4.488 1.281 251 HD12 LEU 33 2HD1 LEU 33 6.792 4.269 -0.175 252 HD13 LEU 33 3HD1 LEU 33 5.258 5.130 -0.260 253 HD21 LEU 33 1HD2 LEU 33 8.344 4.917 1.384 254 HD22 LEU 33 2HD2 LEU 33 8.549 6.589 1.905 255 HD23 LEU 33 3HD2 LEU 33 8.964 6.120 0.257 256 H GLU 34 HN GLU 34 9.668 8.794 0.941 257 HA GLU 34 HA GLU 34 11.394 8.934 -1.427 258 HB2 GLU 34 2HB GLU 34 11.570 9.868 1.390 259 HB3 GLU 34 1HB GLU 34 13.081 9.453 0.580 260 HG2 GLU 34 2HG GLU 34 11.039 11.218 -0.762 261 HG3 GLU 34 1HG GLU 34 12.220 11.891 0.362 262 H SER 35 HN SER 35 10.770 6.918 1.376 263 HA SER 35 HA SER 35 12.287 4.750 0.225 264 HB2 SER 35 2HB SER 35 14.093 4.651 1.641 265 HB3 SER 35 1HB SER 35 13.874 6.399 1.604 266 HG SER 35 HG SER 35 13.046 4.533 3.563 267 H VAL 36 HN VAL 36 11.995 2.754 1.409 268 HA VAL 36 HA VAL 36 9.845 2.854 3.419 269 HB VAL 36 HB VAL 36 9.099 2.277 1.036 270 HG11 VAL 36 1HG1 VAL 36 9.755 0.266 0.089 271 HG12 VAL 36 2HG1 VAL 36 10.103 -0.477 1.647 272 HG13 VAL 36 3HG1 VAL 36 11.233 0.684 0.949 273 HG21 VAL 36 1HG2 VAL 36 8.629 0.291 3.288 274 HG22 VAL 36 2HG2 VAL 36 7.590 0.507 1.879 275 HG23 VAL 36 3HG2 VAL 36 7.755 1.806 3.060 276 H THR 37 HN THR 37 9.778 1.137 4.886 277 HA THR 37 HA THR 37 12.342 -0.295 5.130 278 HB THR 37 HB THR 37 11.762 -0.503 7.519 279 HG1 THR 37 1HG THR 37 9.631 -0.487 7.671 280 HG21 THR 37 1HG2 THR 37 11.347 2.354 6.651 281 HG22 THR 37 2HG2 THR 37 12.908 1.547 6.500 282 HG23 THR 37 3HG2 THR 37 12.179 1.763 8.090 283 HA PRO 38 HA PRO 38 10.693 -4.357 4.291 284 HB2 PRO 38 2HB PRO 38 11.496 -4.964 7.112 285 HB3 PRO 38 1HB PRO 38 11.796 -5.896 5.632 286 HG2 PRO 38 2HG PRO 38 13.675 -4.362 6.782 287 HG3 PRO 38 1HG PRO 38 13.589 -4.623 5.034 288 HD2 PRO 38 2HD PRO 38 13.051 -2.171 6.557 289 HD3 PRO 38 1HD PRO 38 13.331 -2.374 4.816 290 H MET 39 HN MET 39 8.606 -4.995 4.333 291 HA MET 39 HA MET 39 6.826 -3.978 6.350 292 HB2 MET 39 2HB MET 39 6.162 -4.057 3.960 293 HB3 MET 39 1HB MET 39 6.257 -5.816 4.017 294 HG2 MET 39 2HG MET 39 4.570 -5.663 5.968 295 HG3 MET 39 1HG MET 39 4.313 -4.004 5.451 296 HE1 MET 39 1HE MET 39 4.072 -3.329 3.202 297 HE2 MET 39 2HE MET 39 2.904 -4.040 2.091 298 HE3 MET 39 3HE MET 39 4.600 -4.509 1.997 299 H THR 40 HN THR 40 6.182 -4.990 8.119 300 HA THR 40 HA THR 40 6.982 -7.789 8.429 301 HB THR 40 HB THR 40 5.971 -6.091 10.675 302 HG1 THR 40 1HG THR 40 7.513 -4.757 10.063 303 HG21 THR 40 1HG2 THR 40 7.410 -7.514 11.987 304 HG22 THR 40 2HG2 THR 40 8.159 -8.178 10.536 305 HG23 THR 40 3HG2 THR 40 6.476 -8.551 10.910 306 H LEU 41 HN LEU 41 5.389 -9.103 7.721 307 HA LEU 41 HA LEU 41 2.605 -8.357 8.335 308 HB2 LEU 41 2HB LEU 41 3.891 -9.845 6.219 309 HB3 LEU 41 1HB LEU 41 2.656 -10.836 6.992 310 HG LEU 41 HG LEU 41 1.102 -8.788 6.770 311 HD11 LEU 41 1HD1 LEU 41 3.338 -8.023 4.871 312 HD12 LEU 41 2HD1 LEU 41 2.784 -7.106 6.272 313 HD13 LEU 41 3HD1 LEU 41 1.733 -7.292 4.868 314 HD21 LEU 41 1HD2 LEU 41 0.907 -10.801 5.434 315 HD22 LEU 41 2HD2 LEU 41 2.138 -10.216 4.315 316 HD23 LEU 41 3HD2 LEU 41 0.582 -9.386 4.437 317 H THR 42 HN THR 42 2.028 -8.949 10.355 318 HA THR 42 HA THR 42 2.998 -11.511 11.405 319 HB THR 42 HB THR 42 2.847 -10.622 13.487 320 HG1 THR 42 1HG THR 42 0.729 -10.490 13.778 321 HG21 THR 42 1HG2 THR 42 3.992 -8.893 12.026 322 HG22 THR 42 2HG2 THR 42 3.323 -8.275 13.537 323 HG23 THR 42 3HG2 THR 42 2.468 -8.008 12.020 324 H THR 43 HN THR 43 1.724 -13.214 11.418 325 HA THR 43 HA THR 43 -1.074 -12.869 10.626 326 HB THR 43 HB THR 43 0.288 -15.508 11.117 327 HG1 THR 43 1HG THR 43 1.297 -13.876 9.554 328 HG21 THR 43 1HG2 THR 43 -1.820 -14.797 9.085 329 HG22 THR 43 2HG2 THR 43 -2.256 -15.143 10.762 330 HG23 THR 43 3HG2 THR 43 -1.449 -16.374 9.788 331 H LEU 44 HN LEU 44 -2.604 -12.661 12.097 332 HA LEU 44 HA LEU 44 -2.092 -13.523 14.835 333 HB2 LEU 44 2HB LEU 44 -4.599 -12.165 13.883 334 HB3 LEU 44 1HB LEU 44 -3.858 -12.120 15.483 335 HG LEU 44 HG LEU 44 -2.743 -10.864 12.956 336 HD11 LEU 44 1HD1 LEU 44 -3.933 -9.062 13.584 337 HD12 LEU 44 2HD1 LEU 44 -3.054 -9.037 15.113 338 HD13 LEU 44 3HD1 LEU 44 -4.563 -9.939 14.978 339 HD21 LEU 44 1HD2 LEU 44 -1.620 -11.331 15.704 340 HD22 LEU 44 2HD2 LEU 44 -1.160 -9.875 14.821 341 HD23 LEU 44 3HD2 LEU 44 -0.821 -11.465 14.138 342 H GLU 45 HN GLU 45 -2.525 -15.545 15.315 343 HA GLU 45 HA GLU 45 -3.466 -17.671 15.178 344 HB2 GLU 45 2HB GLU 45 -4.991 -15.884 16.590 345 HB3 GLU 45 1HB GLU 45 -6.171 -16.564 15.470 346 HG2 GLU 45 2HG GLU 45 -4.370 -18.106 17.359 347 HG3 GLU 45 1HG GLU 45 -6.122 -17.942 17.469 348 H GLY 46 HN GLY 46 -3.337 -16.217 12.562 349 HA2 GLY 46 2HA GLY 46 -3.949 -16.716 10.395 350 HA3 GLY 46 1HA GLY 46 -4.868 -18.075 11.031 351 H GLY 47 HN GLY 47 -6.128 -15.829 12.842 352 HA2 GLY 47 2HA GLY 47 -8.488 -15.515 11.240 353 HA3 GLY 47 1HA GLY 47 -8.215 -14.835 12.842 354 H ASN 48 HN ASN 48 -6.404 -13.073 12.799 355 HA ASN 48 HA ASN 48 -7.025 -11.234 10.564 356 HB2 ASN 48 2HB ASN 48 -6.279 -10.600 13.427 357 HB3 ASN 48 1HB ASN 48 -6.539 -9.405 12.157 358 HD21 ASN 48 1HD2 ASN 48 -8.710 -11.632 11.261 359 HD22 ASN 48 2HD2 ASN 48 -10.056 -11.157 12.179 360 H LEU 49 HN LEU 49 -5.323 -9.702 9.994 361 HA LEU 49 HA LEU 49 -2.601 -10.795 10.438 362 HB2 LEU 49 2HB LEU 49 -4.080 -10.618 8.023 363 HB3 LEU 49 1HB LEU 49 -2.821 -9.388 7.941 364 HG LEU 49 HG LEU 49 -2.270 -12.271 8.707 365 HD11 LEU 49 1HD1 LEU 49 -1.214 -11.522 6.139 366 HD12 LEU 49 2HD1 LEU 49 -2.956 -11.265 6.140 367 HD13 LEU 49 3HD1 LEU 49 -2.300 -12.850 6.543 368 HD21 LEU 49 1HD2 LEU 49 -0.098 -11.625 8.906 369 HD22 LEU 49 2HD2 LEU 49 -0.752 -9.993 9.051 370 HD23 LEU 49 3HD2 LEU 49 -0.189 -10.584 7.491 371 H GLU 50 HN GLU 50 -1.009 -9.310 10.874 372 HA GLU 50 HA GLU 50 -1.834 -6.475 10.915 373 HB2 GLU 50 2HB GLU 50 -1.421 -7.699 13.164 374 HB3 GLU 50 1HB GLU 50 0.282 -7.585 12.722 375 HG2 GLU 50 2HG GLU 50 0.045 -5.140 12.439 376 HG3 GLU 50 1HG GLU 50 -1.649 -5.258 12.917 377 H ALA 51 HN ALA 51 -0.715 -5.162 9.687 378 HA ALA 51 HA ALA 51 1.925 -6.062 8.734 379 HB1 ALA 51 1HB ALA 51 -0.384 -4.819 7.342 380 HB2 ALA 51 2HB ALA 51 0.766 -6.030 6.767 381 HB3 ALA 51 3HB ALA 51 1.233 -4.328 6.830 382 H LYS 52 HN LYS 52 3.550 -4.915 9.481 383 HA LYS 52 HA LYS 52 3.074 -2.083 10.193 384 HB2 LYS 52 2HB LYS 52 5.288 -3.499 11.535 385 HB3 LYS 52 1HB LYS 52 4.126 -2.342 12.188 386 HG2 LYS 52 2HG LYS 52 2.371 -4.159 12.029 387 HG3 LYS 52 1HG LYS 52 3.671 -5.285 11.642 388 HD2 LYS 52 2HD LYS 52 3.501 -3.597 14.156 389 HD3 LYS 52 1HD LYS 52 3.160 -5.324 14.057 390 HE2 LYS 52 2HE LYS 52 5.384 -5.343 14.755 391 HE3 LYS 52 1HE LYS 52 5.573 -5.442 13.004 392 HZ1 LYS 52 1HZ LYS 52 5.353 -2.746 13.700 393 HZ2 LYS 52 2HZ LYS 52 6.702 -3.559 13.061 394 HZ3 LYS 52 3HZ LYS 52 6.494 -3.445 14.743 395 H VAL 53 HN VAL 53 4.140 -0.727 8.885 396 HA VAL 53 HA VAL 53 6.882 -1.405 8.122 397 HB VAL 53 HB VAL 53 5.428 -2.171 6.279 398 HG11 VAL 53 1HG1 VAL 53 4.056 -0.637 5.044 399 HG12 VAL 53 2HG1 VAL 53 4.638 0.730 5.995 400 HG13 VAL 53 3HG1 VAL 53 3.612 -0.495 6.743 401 HG21 VAL 53 1HG2 VAL 53 6.524 0.144 4.921 402 HG22 VAL 53 2HG2 VAL 53 7.066 -1.532 4.863 403 HG23 VAL 53 3HG2 VAL 53 7.658 -0.458 6.130 404 H THR 54 HN THR 54 8.176 0.339 7.855 405 HA THR 54 HA THR 54 7.022 2.922 8.632 406 HB THR 54 HB THR 54 9.956 2.361 8.538 407 HG1 THR 54 1HG THR 54 9.860 1.391 10.500 408 HG21 THR 54 1HG2 THR 54 10.105 4.138 10.038 409 HG22 THR 54 2HG2 THR 54 8.468 3.889 10.647 410 HG23 THR 54 3HG2 THR 54 8.717 4.621 9.063 411 H MET 55 HN MET 55 6.835 4.453 7.136 412 HA MET 55 HA MET 55 8.385 4.122 4.646 413 HB2 MET 55 2HB MET 55 6.311 6.043 4.327 414 HB3 MET 55 1HB MET 55 6.493 4.490 3.525 415 HG2 MET 55 2HG MET 55 5.475 3.474 5.685 416 HG3 MET 55 1HG MET 55 4.974 5.132 6.052 417 HE1 MET 55 1HE MET 55 4.626 5.949 2.671 418 HE2 MET 55 2HE MET 55 4.065 6.633 4.192 419 HE3 MET 55 3HE MET 55 2.895 6.125 2.976 420 H LEU 56 HN LEU 56 9.324 5.898 3.710 421 HA LEU 56 HA LEU 56 9.949 8.054 5.626 422 HB2 LEU 56 2HB LEU 56 11.901 6.804 4.724 423 HB3 LEU 56 1HB LEU 56 11.421 7.266 3.098 424 HG LEU 56 HG LEU 56 11.641 9.667 3.729 425 HD11 LEU 56 1HD1 LEU 56 13.120 9.878 5.933 426 HD12 LEU 56 2HD1 LEU 56 12.258 8.405 6.375 427 HD13 LEU 56 3HD1 LEU 56 11.359 9.879 6.017 428 HD21 LEU 56 1HD2 LEU 56 13.537 8.450 2.697 429 HD22 LEU 56 2HD2 LEU 56 14.102 7.986 4.301 430 HD23 LEU 56 3HD2 LEU 56 14.102 9.683 3.823 431 H ILE 57 HN ILE 57 8.070 9.238 5.274 432 HA ILE 57 HA ILE 57 7.443 10.113 2.574 433 HB ILE 57 HB ILE 57 6.095 10.540 5.249 434 HG12 ILE 57 2HG1 ILE 57 6.091 8.296 3.814 435 HG13 ILE 57 1HG1 ILE 57 4.624 8.867 4.602 436 HG21 ILE 57 1HG2 ILE 57 5.504 11.635 2.503 437 HG22 ILE 57 2HG2 ILE 57 5.585 12.500 4.039 438 HG23 ILE 57 3HG2 ILE 57 4.224 11.425 3.703 439 HD11 ILE 57 1HD1 ILE 57 4.448 8.190 2.114 440 HD12 ILE 57 2HD1 ILE 57 5.300 9.691 1.775 441 HD13 ILE 57 3HD1 ILE 57 3.734 9.728 2.585 442 H SER 58 HN SER 58 8.357 11.833 1.778 443 HA SER 58 HA SER 58 9.655 13.749 1.646 444 HB2 SER 58 2HB SER 58 7.647 14.695 3.697 445 HB3 SER 58 1HB SER 58 8.529 15.682 2.535 446 HG SER 58 HG SER 58 6.854 13.539 1.755 447 H GLY 59 HN GLY 59 11.042 12.044 3.243 448 HA2 GLY 59 2HA GLY 59 12.884 12.194 4.640 449 HA3 GLY 59 1HA GLY 59 12.463 13.872 4.958 450 H ARG 60 HN ARG 60 9.654 12.563 5.591 451 HA ARG 60 HA ARG 60 10.241 12.277 8.447 452 HB2 ARG 60 2HB ARG 60 7.545 12.413 7.079 453 HB3 ARG 60 1HB ARG 60 7.875 12.600 8.801 454 HG2 ARG 60 2HG ARG 60 9.105 14.649 8.410 455 HG3 ARG 60 1HG ARG 60 9.001 14.430 6.664 456 HD2 ARG 60 2HD ARG 60 7.325 16.062 7.563 457 HD3 ARG 60 1HD ARG 60 6.599 14.706 6.705 458 HE ARG 60 HE ARG 60 6.833 14.261 9.548 459 HH11 ARG 60 1HH1 ARG 60 4.873 14.173 10.693 460 HH12 ARG 60 2HH1 ARG 60 3.417 14.753 9.953 461 HH21 ARG 60 1HH2 ARG 60 4.971 15.658 6.988 462 HH22 ARG 60 2HH2 ARG 60 3.473 15.594 7.856 463 H CYS 61 HN CYS 61 10.209 10.378 9.477 464 HA CYS 61 HA CYS 61 9.618 7.957 7.975 465 HB2 CYS 61 2HB CYS 61 10.696 8.472 10.750 466 HB3 CYS 61 1HB CYS 61 10.331 6.853 10.153 467 H GLN 62 HN GLN 62 7.514 7.470 7.761 468 HA GLN 62 HA GLN 62 5.703 7.947 10.026 469 HB2 GLN 62 2HB GLN 62 5.122 7.266 7.134 470 HB3 GLN 62 1HB GLN 62 3.903 7.569 8.374 471 HG2 GLN 62 2HG GLN 62 6.061 9.556 7.622 472 HG3 GLN 62 1HG GLN 62 4.436 9.576 6.938 473 HE21 GLN 62 1HE2 GLN 62 6.318 10.221 9.853 474 HE22 GLN 62 2HE2 GLN 62 5.050 10.936 10.726 475 H GLU 63 HN GLU 63 5.540 6.297 11.390 476 HA GLU 63 HA GLU 63 5.982 3.553 10.564 477 HB2 GLU 63 2HB GLU 63 4.970 3.344 13.066 478 HB3 GLU 63 1HB GLU 63 6.669 3.690 12.738 479 HG2 GLU 63 2HG GLU 63 6.327 6.050 13.003 480 HG3 GLU 63 1HG GLU 63 4.576 5.853 13.040 481 H VAL 64 HN VAL 64 4.467 2.431 9.538 482 HA VAL 64 HA VAL 64 1.637 3.121 10.018 483 HB VAL 64 HB VAL 64 2.612 1.331 7.816 484 HG11 VAL 64 1HG1 VAL 64 0.414 3.392 7.757 485 HG12 VAL 64 2HG1 VAL 64 0.143 1.805 8.477 486 HG13 VAL 64 3HG1 VAL 64 0.589 1.937 6.777 487 HG21 VAL 64 1HG2 VAL 64 2.761 4.346 7.979 488 HG22 VAL 64 2HG2 VAL 64 2.664 3.498 6.438 489 HG23 VAL 64 3HG2 VAL 64 4.033 3.218 7.512 490 H LYS 65 HN LYS 65 0.166 1.564 10.606 491 HA LYS 65 HA LYS 65 1.060 -1.196 11.003 492 HB2 LYS 65 2HB LYS 65 1.479 0.237 13.116 493 HB3 LYS 65 1HB LYS 65 -0.276 0.264 13.274 494 HG2 LYS 65 2HG LYS 65 0.100 -2.384 12.834 495 HG3 LYS 65 1HG LYS 65 1.624 -1.992 13.625 496 HD2 LYS 65 2HD LYS 65 0.068 -2.611 15.357 497 HD3 LYS 65 1HD LYS 65 0.299 -0.868 15.457 498 HE2 LYS 65 2HE LYS 65 -1.854 -1.443 13.622 499 HE3 LYS 65 1HE LYS 65 -2.148 -2.263 15.155 500 HZ1 LYS 65 1HZ LYS 65 -3.035 -0.148 15.443 501 HZ2 LYS 65 2HZ LYS 65 -1.737 0.619 14.659 502 HZ3 LYS 65 3HZ LYS 65 -1.522 -0.050 16.205 503 H ALA 66 HN ALA 66 -0.412 -1.894 9.498 504 HA ALA 66 HA ALA 66 -3.226 -1.168 9.885 505 HB1 ALA 66 1HB ALA 66 -2.874 -2.810 7.595 506 HB2 ALA 66 2HB ALA 66 -1.585 -1.606 7.581 507 HB3 ALA 66 3HB ALA 66 -3.272 -1.093 7.648 508 H VAL 67 HN VAL 67 -4.740 -2.633 10.323 509 HA VAL 67 HA VAL 67 -3.831 -5.372 10.881 510 HB VAL 67 HB VAL 67 -6.275 -4.253 12.178 511 HG11 VAL 67 1HG1 VAL 67 -4.064 -6.081 13.158 512 HG12 VAL 67 2HG1 VAL 67 -5.527 -6.651 12.352 513 HG13 VAL 67 3HG1 VAL 67 -5.642 -5.826 13.908 514 HG21 VAL 67 1HG2 VAL 67 -3.403 -3.597 12.871 515 HG22 VAL 67 2HG2 VAL 67 -4.691 -3.541 14.074 516 HG23 VAL 67 3HG2 VAL 67 -4.752 -2.481 12.666 517 H LEU 68 HN LEU 68 -4.525 -6.709 9.338 518 HA LEU 68 HA LEU 68 -6.841 -6.064 7.756 519 HB2 LEU 68 2HB LEU 68 -5.173 -8.578 7.674 520 HB3 LEU 68 1HB LEU 68 -6.095 -7.854 6.363 521 HG LEU 68 HG LEU 68 -3.603 -6.729 7.659 522 HD11 LEU 68 1HD1 LEU 68 -4.098 -7.363 4.746 523 HD12 LEU 68 2HD1 LEU 68 -3.537 -8.602 5.869 524 HD13 LEU 68 3HD1 LEU 68 -2.554 -7.167 5.581 525 HD21 LEU 68 1HD2 LEU 68 -3.972 -5.020 5.705 526 HD22 LEU 68 2HD2 LEU 68 -4.864 -4.805 7.211 527 HD23 LEU 68 3HD2 LEU 68 -5.653 -5.534 5.816 528 H GLU 69 HN GLU 69 -8.643 -6.273 9.138 529 HA GLU 69 HA GLU 69 -8.998 -8.703 10.670 530 HB2 GLU 69 2HB GLU 69 -10.899 -6.413 10.106 531 HB3 GLU 69 1HB GLU 69 -11.177 -7.711 11.265 532 HG2 GLU 69 2HG GLU 69 -8.686 -6.025 11.412 533 HG3 GLU 69 1HG GLU 69 -10.191 -5.474 12.148 534 H LYS 70 HN LYS 70 -9.950 -10.503 9.980 535 HA LYS 70 HA LYS 70 -10.729 -10.842 7.279 536 HB2 LYS 70 2HB LYS 70 -10.460 -12.486 9.674 537 HB3 LYS 70 1HB LYS 70 -11.835 -12.971 8.685 538 HG2 LYS 70 2HG LYS 70 -9.030 -12.545 7.615 539 HG3 LYS 70 1HG LYS 70 -9.687 -14.118 8.058 540 HD2 LYS 70 2HD LYS 70 -11.656 -13.180 6.405 541 HD3 LYS 70 1HD LYS 70 -10.224 -12.446 5.686 542 HE2 LYS 70 2HE LYS 70 -10.424 -14.567 4.628 543 HE3 LYS 70 1HE LYS 70 -9.146 -14.767 5.826 544 HZ1 LYS 70 1HZ LYS 70 -11.304 -15.364 7.272 545 HZ2 LYS 70 2HZ LYS 70 -10.379 -16.521 6.439 546 HZ3 LYS 70 3HZ LYS 70 -11.807 -15.913 5.749 547 H THR 71 HN THR 71 -12.684 -10.861 6.315 548 HA THR 71 HA THR 71 -15.009 -10.063 7.965 549 HB THR 71 HB THR 71 -15.917 -9.096 5.869 550 HG1 THR 71 1HG THR 71 -13.874 -8.871 4.357 551 HG21 THR 71 1HG2 THR 71 -14.126 -7.277 5.663 552 HG22 THR 71 2HG2 THR 71 -13.206 -8.202 6.849 553 HG23 THR 71 3HG2 THR 71 -14.787 -7.550 7.274 554 H ASP 72 HN ASP 72 -17.075 -10.574 6.367 555 HA ASP 72 HA ASP 72 -17.239 -13.457 6.421 556 HB2 ASP 72 2HB ASP 72 -19.229 -11.361 5.520 557 HB3 ASP 72 1HB ASP 72 -19.577 -13.080 5.691 558 H GLU 73 HN GLU 73 -15.772 -11.513 4.324 559 HA GLU 73 HA GLU 73 -16.538 -13.139 1.974 560 HB2 GLU 73 2HB GLU 73 -17.084 -10.576 2.043 561 HB3 GLU 73 1HB GLU 73 -15.366 -10.399 1.689 562 HG2 GLU 73 2HG GLU 73 -17.384 -11.980 0.073 563 HG3 GLU 73 1HG GLU 73 -16.612 -10.471 -0.405 564 HA PRO 74 HA PRO 74 -12.191 -14.314 3.112 565 HB2 PRO 74 2HB PRO 74 -12.823 -16.030 0.733 566 HB3 PRO 74 1HB PRO 74 -11.966 -16.453 2.230 567 HG2 PRO 74 2HG PRO 74 -14.492 -17.170 1.857 568 HG3 PRO 74 1HG PRO 74 -13.908 -16.650 3.448 569 HD2 PRO 74 2HD PRO 74 -15.668 -15.210 1.529 570 HD3 PRO 74 1HD PRO 74 -15.587 -15.077 3.301 571 H GLY 75 HN GLY 75 -10.372 -13.406 2.320 572 HA2 GLY 75 2HA GLY 75 -8.864 -12.706 0.624 573 HA3 GLY 75 1HA GLY 75 -10.201 -12.729 -0.521 574 H LYS 76 HN LYS 76 -11.344 -11.288 2.173 575 HA LYS 76 HA LYS 76 -10.593 -8.575 1.308 576 HB2 LYS 76 2HB LYS 76 -12.921 -9.134 0.644 577 HB3 LYS 76 1HB LYS 76 -13.295 -9.498 2.325 578 HG2 LYS 76 2HG LYS 76 -12.513 -7.095 2.856 579 HG3 LYS 76 1HG LYS 76 -12.580 -6.811 1.124 580 HD2 LYS 76 2HD LYS 76 -14.904 -7.864 2.762 581 HD3 LYS 76 1HD LYS 76 -14.676 -6.163 2.362 582 HE2 LYS 76 2HE LYS 76 -14.407 -7.495 -0.086 583 HE3 LYS 76 1HE LYS 76 -15.742 -8.309 0.719 584 HZ1 LYS 76 1HZ LYS 76 -15.588 -5.633 -0.326 585 HZ2 LYS 76 2HZ LYS 76 -16.243 -5.718 1.240 586 HZ3 LYS 76 3HZ LYS 76 -16.946 -6.605 -0.027 587 H TYR 77 HN TYR 77 -10.089 -7.177 2.875 588 HA TYR 77 HA TYR 77 -10.501 -8.012 5.679 589 HB2 TYR 77 2HB TYR 77 -7.913 -6.872 4.624 590 HB3 TYR 77 1HB TYR 77 -8.273 -7.332 6.289 591 HD1 TYR 77 1HD TYR 77 -8.246 -8.747 2.814 592 HD2 TYR 77 2HD TYR 77 -7.781 -9.503 7.014 593 HE1 TYR 77 1HE TYR 77 -7.562 -11.078 2.319 594 HE2 TYR 77 2HE TYR 77 -7.091 -11.832 6.519 595 HH TYR 77 HH TYR 77 -7.153 -13.452 4.859 596 H THR 78 HN THR 78 -10.464 -6.291 7.218 597 HA THR 78 HA THR 78 -10.642 -3.596 6.067 598 HB THR 78 HB THR 78 -12.645 -3.303 7.756 599 HG1 THR 78 1HG THR 78 -13.283 -5.129 8.509 600 HG21 THR 78 1HG2 THR 78 -13.174 -2.766 5.587 601 HG22 THR 78 2HG2 THR 78 -14.127 -4.243 5.752 602 HG23 THR 78 3HG2 THR 78 -12.561 -4.292 4.940 603 H ALA 79 HN ALA 79 -10.717 -1.893 7.723 604 HA ALA 79 HA ALA 79 -9.201 -2.705 10.139 605 HB1 ALA 79 1HB ALA 79 -8.498 -0.845 8.103 606 HB2 ALA 79 2HB ALA 79 -7.648 -1.172 9.613 607 HB3 ALA 79 3HB ALA 79 -8.886 0.083 9.554 608 H ASP 80 HN ASP 80 -9.654 -1.350 12.031 609 HA ASP 80 HA ASP 80 -12.227 -1.212 12.831 610 HB2 ASP 80 2HB ASP 80 -9.794 -0.157 13.782 611 HB3 ASP 80 1HB ASP 80 -10.930 1.189 13.778 612 H GLY 81 HN GLY 81 -10.592 1.141 10.790 613 HA2 GLY 81 2HA GLY 81 -12.446 3.226 10.868 614 HA3 GLY 81 1HA GLY 81 -11.353 2.889 9.534 615 H GLY 82 HN GLY 82 -12.848 0.087 9.451 616 HA2 GLY 82 2HA GLY 82 -14.459 -0.790 8.065 617 HA3 GLY 82 1HA GLY 82 -15.503 0.425 8.796 618 H LYS 83 HN LYS 83 -12.966 2.004 7.349 619 HA LYS 83 HA LYS 83 -14.503 2.434 4.859 620 HB2 LYS 83 2HB LYS 83 -12.663 4.367 6.297 621 HB3 LYS 83 1HB LYS 83 -13.576 4.698 4.823 622 HG2 LYS 83 2HG LYS 83 -15.257 3.653 6.983 623 HG3 LYS 83 1HG LYS 83 -14.466 5.173 7.405 624 HD2 LYS 83 2HD LYS 83 -15.392 6.297 5.512 625 HD3 LYS 83 1HD LYS 83 -15.923 4.779 4.785 626 HE2 LYS 83 2HE LYS 83 -17.751 6.126 5.928 627 HE3 LYS 83 1HE LYS 83 -17.596 4.455 6.472 628 HZ1 LYS 83 1HZ LYS 83 -17.618 6.581 8.102 629 HZ2 LYS 83 2HZ LYS 83 -15.946 6.353 7.894 630 HZ3 LYS 83 3HZ LYS 83 -16.911 5.090 8.492 631 H HIS 84 HN HIS 84 -11.879 0.995 6.150 632 HA HIS 84 HA HIS 84 -10.267 1.318 3.712 633 HB2 HIS 84 2HB HIS 84 -9.513 0.977 6.589 634 HB3 HIS 84 1HB HIS 84 -8.453 0.313 5.346 635 HD1 HIS 84 1HD HIS 84 -9.209 2.718 3.289 636 HD2 HIS 84 2HD HIS 84 -7.675 3.108 7.145 637 HE1 HIS 84 1HE HIS 84 -8.088 4.985 3.382 638 H VAL 85 HN VAL 85 -10.685 -0.328 2.420 639 HA VAL 85 HA VAL 85 -11.075 -2.987 3.657 640 HB VAL 85 HB VAL 85 -11.884 -2.265 0.857 641 HG11 VAL 85 1HG1 VAL 85 -13.249 -4.205 2.690 642 HG12 VAL 85 2HG1 VAL 85 -11.728 -4.667 1.922 643 HG13 VAL 85 3HG1 VAL 85 -13.122 -4.234 0.932 644 HG21 VAL 85 1HG2 VAL 85 -13.316 -1.743 3.460 645 HG22 VAL 85 2HG2 VAL 85 -14.220 -2.016 1.970 646 HG23 VAL 85 3HG2 VAL 85 -13.104 -0.655 2.087 647 H ALA 86 HN ALA 86 -9.116 -3.920 3.637 648 HA ALA 86 HA ALA 86 -7.373 -3.562 1.359 649 HB1 ALA 86 1HB ALA 86 -6.249 -3.320 3.428 650 HB2 ALA 86 2HB ALA 86 -5.747 -4.879 2.774 651 HB3 ALA 86 3HB ALA 86 -6.959 -4.807 4.054 652 H TYR 87 HN TYR 87 -6.762 -5.070 -0.039 653 HA TYR 87 HA TYR 87 -7.960 -7.760 0.251 654 HB2 TYR 87 2HB TYR 87 -7.562 -6.095 -2.252 655 HB3 TYR 87 1HB TYR 87 -7.962 -7.807 -2.273 656 HD1 TYR 87 1HD TYR 87 -9.154 -4.432 -1.378 657 HD2 TYR 87 2HD TYR 87 -10.157 -8.598 -1.684 658 HE1 TYR 87 1HE TYR 87 -11.556 -3.864 -1.142 659 HE2 TYR 87 2HE TYR 87 -12.567 -8.030 -1.444 660 HH TYR 87 HH TYR 87 -13.704 -4.760 -1.604 661 H ILE 88 HN ILE 88 -6.467 -9.320 0.293 662 HA ILE 88 HA ILE 88 -3.719 -8.686 -0.522 663 HB ILE 88 HB ILE 88 -4.474 -11.152 1.002 664 HG12 ILE 88 2HG1 ILE 88 -4.262 -8.336 2.100 665 HG13 ILE 88 1HG1 ILE 88 -5.618 -9.451 2.264 666 HG21 ILE 88 1HG2 ILE 88 -2.116 -9.417 1.587 667 HG22 ILE 88 2HG2 ILE 88 -2.115 -10.294 0.055 668 HG23 ILE 88 3HG2 ILE 88 -2.242 -11.177 1.576 669 HD11 ILE 88 1HD1 ILE 88 -3.041 -9.379 3.736 670 HD12 ILE 88 2HD1 ILE 88 -3.638 -10.983 3.307 671 HD13 ILE 88 3HD1 ILE 88 -4.635 -9.904 4.283 672 H ILE 89 HN ILE 89 -2.915 -9.638 -2.286 673 HA ILE 89 HA ILE 89 -4.304 -12.016 -3.333 674 HB ILE 89 HB ILE 89 -2.971 -10.337 -5.333 675 HG12 ILE 89 2HG1 ILE 89 -3.948 -8.559 -3.901 676 HG13 ILE 89 1HG1 ILE 89 -4.762 -8.660 -5.459 677 HG21 ILE 89 1HG2 ILE 89 -5.708 -11.621 -5.146 678 HG22 ILE 89 2HG2 ILE 89 -4.284 -12.305 -5.924 679 HG23 ILE 89 3HG2 ILE 89 -5.040 -10.859 -6.588 680 HD11 ILE 89 1HD1 ILE 89 -5.953 -8.829 -2.906 681 HD12 ILE 89 2HD1 ILE 89 -6.031 -10.451 -3.588 682 HD13 ILE 89 3HD1 ILE 89 -6.728 -9.095 -4.466 683 H ARG 90 HN ARG 90 -3.007 -13.478 -4.481 684 HA ARG 90 HA ARG 90 -0.181 -13.433 -3.677 685 HB2 ARG 90 2HB ARG 90 -0.930 -15.832 -5.071 686 HB3 ARG 90 1HB ARG 90 -0.427 -15.643 -3.390 687 HG2 ARG 90 2HG ARG 90 -2.753 -14.982 -2.799 688 HG3 ARG 90 1HG ARG 90 -3.237 -15.274 -4.469 689 HD2 ARG 90 2HD ARG 90 -1.947 -17.610 -3.876 690 HD3 ARG 90 1HD ARG 90 -2.650 -17.203 -2.314 691 HE ARG 90 HE ARG 90 -4.775 -17.561 -3.222 692 HH11 ARG 90 1HH1 ARG 90 -6.139 -18.337 -4.865 693 HH12 ARG 90 2HH1 ARG 90 -5.517 -18.562 -6.466 694 HH21 ARG 90 1HH2 ARG 90 -2.319 -17.492 -5.659 695 HH22 ARG 90 2HH2 ARG 90 -3.355 -18.083 -6.914 696 H SER 91 HN SER 91 0.976 -12.265 -5.144 697 HA SER 91 HA SER 91 0.483 -11.756 -7.770 698 HB2 SER 91 2HB SER 91 2.441 -10.977 -6.278 699 HB3 SER 91 1HB SER 91 3.269 -12.423 -6.849 700 HG SER 91 HG SER 91 2.334 -11.440 -9.000 701 H HIS 92 HN HIS 92 1.595 -12.620 -9.708 702 HA HIS 92 HA HIS 92 1.018 -15.417 -9.985 703 HB2 HIS 92 2HB HIS 92 2.236 -13.359 -11.831 704 HB3 HIS 92 1HB HIS 92 2.027 -15.047 -12.298 705 HD1 HIS 92 1HD HIS 92 -0.308 -12.698 -10.394 706 HD2 HIS 92 2HD HIS 92 -0.280 -15.074 -13.821 707 HE1 HIS 92 1HE HIS 92 -2.640 -12.571 -11.373 708 H VAL 93 HN VAL 93 3.645 -13.694 -8.804 709 HA VAL 93 HA VAL 93 5.544 -15.864 -9.460 710 HB VAL 93 HB VAL 93 6.096 -13.035 -8.536 711 HG11 VAL 93 1HG1 VAL 93 8.435 -13.801 -9.454 712 HG12 VAL 93 2HG1 VAL 93 7.818 -15.424 -9.143 713 HG13 VAL 93 3HG1 VAL 93 7.951 -14.262 -7.822 714 HG21 VAL 93 1HG2 VAL 93 6.786 -12.612 -10.813 715 HG22 VAL 93 2HG2 VAL 93 5.160 -13.295 -10.869 716 HG23 VAL 93 3HG2 VAL 93 6.555 -14.306 -11.249 717 H LYS 94 HN LYS 94 7.133 -16.363 -7.739 718 HA LYS 94 HA LYS 94 5.758 -16.862 -5.245 719 HB2 LYS 94 2HB LYS 94 7.803 -18.115 -6.673 720 HB3 LYS 94 1HB LYS 94 8.606 -17.465 -5.245 721 HG2 LYS 94 2HG LYS 94 7.835 -19.626 -4.606 722 HG3 LYS 94 1HG LYS 94 6.694 -18.493 -3.881 723 HD2 LYS 94 2HD LYS 94 5.588 -18.911 -6.370 724 HD3 LYS 94 1HD LYS 94 6.261 -20.498 -5.991 725 HE2 LYS 94 2HE LYS 94 4.052 -20.500 -5.084 726 HE3 LYS 94 1HE LYS 94 5.135 -20.282 -3.710 727 HZ1 LYS 94 1HZ LYS 94 4.227 -17.867 -5.058 728 HZ2 LYS 94 2HZ LYS 94 4.479 -18.161 -3.404 729 HZ3 LYS 94 3HZ LYS 94 3.062 -18.712 -4.163 730 H ASP 95 HN ASP 95 6.624 -16.296 -3.156 731 HA ASP 95 HA ASP 95 7.268 -14.710 -1.609 732 HB2 ASP 95 2HB ASP 95 9.566 -13.642 -2.983 733 HB3 ASP 95 1HB ASP 95 9.480 -14.633 -1.530 734 H HIS 96 HN HIS 96 5.539 -13.930 -3.899 735 HA HIS 96 HA HIS 96 5.927 -11.027 -3.613 736 HB2 HIS 96 2HB HIS 96 5.566 -12.594 -6.139 737 HB3 HIS 96 1HB HIS 96 4.950 -10.944 -6.032 738 HD1 HIS 96 1HD HIS 96 8.190 -12.872 -5.569 739 HD2 HIS 96 2HD HIS 96 6.902 -8.977 -6.287 740 HE1 HIS 96 1HE HIS 96 10.267 -11.496 -6.027 741 H TYR 97 HN TYR 97 4.123 -9.889 -3.155 742 HA TYR 97 HA TYR 97 1.511 -11.164 -3.568 743 HB2 TYR 97 2HB TYR 97 2.743 -10.466 -0.956 744 HB3 TYR 97 1HB TYR 97 1.032 -10.087 -1.163 745 HD1 TYR 97 1HD TYR 97 3.540 -12.814 -1.492 746 HD2 TYR 97 2HD TYR 97 -0.611 -11.800 -1.083 747 HE1 TYR 97 1HE TYR 97 2.980 -15.215 -1.183 748 HE2 TYR 97 2HE TYR 97 -1.175 -14.191 -0.784 749 HH TYR 97 HH TYR 97 0.102 -16.286 0.051 750 H ILE 98 HN ILE 98 -0.111 -9.785 -4.047 751 HA ILE 98 HA ILE 98 0.602 -6.971 -4.434 752 HB ILE 98 HB ILE 98 -1.939 -8.318 -5.322 753 HG12 ILE 98 2HG1 ILE 98 -0.031 -9.692 -6.127 754 HG13 ILE 98 1HG1 ILE 98 -0.882 -8.909 -7.445 755 HG21 ILE 98 1HG2 ILE 98 -1.711 -6.606 -7.173 756 HG22 ILE 98 2HG2 ILE 98 -0.388 -5.909 -6.247 757 HG23 ILE 98 3HG2 ILE 98 -2.010 -5.955 -5.561 758 HD11 ILE 98 1HD1 ILE 98 1.090 -8.064 -8.120 759 HD12 ILE 98 2HD1 ILE 98 1.887 -8.661 -6.671 760 HD13 ILE 98 3HD1 ILE 98 1.126 -7.071 -6.665 761 H PHE 99 HN PHE 99 -0.175 -5.446 -3.098 762 HA PHE 99 HA PHE 99 -2.389 -6.224 -1.302 763 HB2 PHE 99 2HB PHE 99 -0.156 -5.811 -0.221 764 HB3 PHE 99 1HB PHE 99 -0.232 -4.154 -0.818 765 HD1 PHE 99 1HD PHE 99 -1.277 -6.442 1.744 766 HD2 PHE 99 2HD PHE 99 -2.246 -2.718 -0.164 767 HE1 PHE 99 1HE PHE 99 -2.699 -5.824 3.679 768 HE2 PHE 99 2HE PHE 99 -3.669 -2.096 1.773 769 HZ PHE 99 HZ PHE 99 -3.894 -3.649 3.696 770 H TYR 100 HN TYR 100 -4.208 -5.055 -1.448 771 HA TYR 100 HA TYR 100 -4.077 -2.403 -2.777 772 HB2 TYR 100 2HB TYR 100 -4.909 -4.044 -4.388 773 HB3 TYR 100 1HB TYR 100 -6.121 -4.584 -3.235 774 HD1 TYR 100 1HD TYR 100 -4.892 -1.361 -4.707 775 HD2 TYR 100 2HD TYR 100 -8.267 -3.714 -3.479 776 HE1 TYR 100 1HE TYR 100 -6.419 0.404 -5.540 777 HE2 TYR 100 2HE TYR 100 -9.798 -1.946 -4.309 778 HH TYR 100 HH TYR 100 -8.907 0.417 -6.396 779 H SER 101 HN SER 101 -5.701 -0.919 -2.110 780 HA SER 101 HA SER 101 -7.452 -1.698 0.079 781 HB2 SER 101 2HB SER 101 -5.984 -1.089 1.674 782 HB3 SER 101 1HB SER 101 -4.926 -0.298 0.509 783 HG SER 101 HG SER 101 -6.387 1.471 0.533 784 H GLU 102 HN GLU 102 -9.180 -0.335 0.392 785 HA GLU 102 HA GLU 102 -9.312 2.085 -1.320 786 HB2 GLU 102 2HB GLU 102 -10.969 -0.362 -1.409 787 HB3 GLU 102 1HB GLU 102 -11.877 1.149 -1.393 788 HG2 GLU 102 2HG GLU 102 -9.532 0.871 -3.245 789 HG3 GLU 102 1HG GLU 102 -11.068 0.126 -3.679 790 H GLY 103 HN GLY 103 -10.485 3.742 -0.556 791 HA2 GLY 103 2HA GLY 103 -12.367 3.705 1.519 792 HA3 GLY 103 1HA GLY 103 -10.798 4.100 2.218 793 H GLU 104 HN GLU 104 -10.923 6.253 2.632 794 HA GLU 104 HA GLU 104 -10.969 8.082 0.427 795 HB2 GLU 104 2HB GLU 104 -12.884 9.423 1.155 796 HB3 GLU 104 1HB GLU 104 -13.392 7.788 0.702 797 HG2 GLU 104 2HG GLU 104 -12.815 7.429 3.329 798 HG3 GLU 104 1HG GLU 104 -13.365 9.106 3.344 799 H LEU 105 HN LEU 105 -10.165 10.056 0.908 800 HA LEU 105 HA LEU 105 -8.889 10.276 3.516 801 HB2 LEU 105 2HB LEU 105 -7.698 10.644 1.244 802 HB3 LEU 105 1HB LEU 105 -8.536 12.188 1.211 803 HG LEU 105 HG LEU 105 -7.557 12.705 3.472 804 HD11 LEU 105 1HD1 LEU 105 -6.759 10.915 4.607 805 HD12 LEU 105 2HD1 LEU 105 -5.325 11.083 3.599 806 HD13 LEU 105 3HD1 LEU 105 -6.593 9.946 3.144 807 HD21 LEU 105 1HD2 LEU 105 -5.049 12.436 2.245 808 HD22 LEU 105 2HD2 LEU 105 -6.134 13.822 2.127 809 HD23 LEU 105 3HD2 LEU 105 -6.195 12.548 0.910 810 H HIS 106 HN HIS 106 -9.027 13.318 2.489 811 HA HIS 106 HA HIS 106 -10.918 14.078 4.463 812 HB2 HIS 106 2HB HIS 106 -9.576 15.654 2.262 813 HB3 HIS 106 1HB HIS 106 -10.579 16.372 3.522 814 HD1 HIS 106 1HD HIS 106 -8.902 13.613 5.041 815 HD2 HIS 106 2HD HIS 106 -7.761 17.498 4.045 816 HE1 HIS 106 1HE HIS 106 -6.845 14.133 6.425 817 H GLY 107 HN GLY 107 -12.456 12.369 3.041 818 HA2 GLY 107 2HA GLY 107 -14.661 12.471 2.303 819 HA3 GLY 107 1HA GLY 107 -14.464 14.191 1.988 820 H LYS 108 HN LYS 108 -12.062 12.067 0.757 821 HA LYS 108 HA LYS 108 -13.333 12.086 -1.904 822 HB2 LYS 108 2HB LYS 108 -10.453 12.789 -1.288 823 HB3 LYS 108 1HB LYS 108 -11.109 12.574 -2.909 824 HG2 LYS 108 2HG LYS 108 -12.145 14.596 -0.897 825 HG3 LYS 108 1HG LYS 108 -11.008 14.976 -2.189 826 HD2 LYS 108 2HD LYS 108 -12.868 13.839 -3.711 827 HD3 LYS 108 1HD LYS 108 -13.919 14.288 -2.369 828 HE2 LYS 108 2HE LYS 108 -12.631 16.610 -2.613 829 HE3 LYS 108 1HE LYS 108 -12.420 16.038 -4.268 830 HZ1 LYS 108 1HZ LYS 108 -14.536 16.462 -4.712 831 HZ2 LYS 108 2HZ LYS 108 -14.660 17.228 -3.202 832 HZ3 LYS 108 3HZ LYS 108 -15.074 15.589 -3.362 833 HA PRO 109 HA PRO 109 -12.327 7.774 -1.467 834 HB2 PRO 109 2HB PRO 109 -12.293 7.036 -4.138 835 HB3 PRO 109 1HB PRO 109 -13.752 7.167 -3.140 836 HG2 PRO 109 2HG PRO 109 -12.644 9.057 -5.135 837 HG3 PRO 109 1HG PRO 109 -14.329 8.686 -4.737 838 HD2 PRO 109 2HD PRO 109 -13.075 10.960 -3.898 839 HD3 PRO 109 1HD PRO 109 -14.391 10.190 -2.983 840 H VAL 110 HN VAL 110 -10.458 6.628 -1.273 841 HA VAL 110 HA VAL 110 -8.234 7.254 -3.084 842 HB VAL 110 HB VAL 110 -7.720 8.709 -1.269 843 HG11 VAL 110 1HG1 VAL 110 -8.658 8.330 0.732 844 HG12 VAL 110 2HG1 VAL 110 -7.523 7.011 0.982 845 HG13 VAL 110 3HG1 VAL 110 -9.101 6.691 0.264 846 HG21 VAL 110 1HG2 VAL 110 -5.609 7.907 -0.691 847 HG22 VAL 110 2HG2 VAL 110 -5.985 6.900 -2.089 848 HG23 VAL 110 3HG2 VAL 110 -6.191 6.258 -0.459 849 H ARG 111 HN ARG 111 -6.797 5.612 -3.394 850 HA ARG 111 HA ARG 111 -7.147 3.150 -1.866 851 HB2 ARG 111 2HB ARG 111 -7.346 1.797 -3.897 852 HB3 ARG 111 1HB ARG 111 -8.650 2.980 -3.837 853 HG2 ARG 111 2HG ARG 111 -6.731 4.416 -5.131 854 HG3 ARG 111 1HG ARG 111 -6.370 2.789 -5.705 855 HD2 ARG 111 2HD ARG 111 -7.983 3.814 -7.210 856 HD3 ARG 111 1HD ARG 111 -8.774 2.516 -6.321 857 HE ARG 111 HE ARG 111 -9.068 5.063 -5.022 858 HH11 ARG 111 1HH1 ARG 111 -11.147 5.975 -5.049 859 HH12 ARG 111 2HH1 ARG 111 -12.334 5.378 -6.161 860 HH21 ARG 111 1HH2 ARG 111 -10.224 3.006 -7.555 861 HH22 ARG 111 2HH2 ARG 111 -11.812 3.698 -7.578 862 H GLY 112 HN GLY 112 -5.553 1.671 -3.872 863 HA2 GLY 112 2HA GLY 112 -3.224 2.638 -4.733 864 HA3 GLY 112 1HA GLY 112 -2.948 2.620 -3.000 865 H VAL 113 HN VAL 113 -1.877 1.086 -5.344 866 HA VAL 113 HA VAL 113 -2.343 -1.634 -4.301 867 HB VAL 113 HB VAL 113 -1.126 -1.023 -6.995 868 HG11 VAL 113 1HG1 VAL 113 -1.515 -3.283 -7.433 869 HG12 VAL 113 2HG1 VAL 113 -2.823 -3.377 -6.244 870 HG13 VAL 113 3HG1 VAL 113 -1.150 -3.303 -5.698 871 HG21 VAL 113 1HG2 VAL 113 -3.160 -0.890 -8.064 872 HG22 VAL 113 2HG2 VAL 113 -3.590 -0.069 -6.571 873 HG23 VAL 113 3HG2 VAL 113 -4.015 -1.763 -6.804 874 H LYS 114 HN LYS 114 -0.570 -2.630 -3.411 875 HA LYS 114 HA LYS 114 2.064 -1.380 -3.905 876 HB2 LYS 114 2HB LYS 114 1.777 -2.741 -1.347 877 HB3 LYS 114 1HB LYS 114 2.401 -1.126 -1.705 878 HG2 LYS 114 2HG LYS 114 0.038 -0.346 -2.015 879 HG3 LYS 114 1HG LYS 114 -0.512 -1.931 -1.475 880 HD2 LYS 114 2HD LYS 114 0.412 -1.631 0.691 881 HD3 LYS 114 1HD LYS 114 1.348 -0.236 0.163 882 HE2 LYS 114 2HE LYS 114 -1.528 0.046 -0.322 883 HE3 LYS 114 1HE LYS 114 -1.112 -0.103 1.387 884 HZ1 LYS 114 1HZ LYS 114 -1.067 2.206 0.225 885 HZ2 LYS 114 2HZ LYS 114 0.461 1.698 -0.316 886 HZ3 LYS 114 3HZ LYS 114 0.136 1.798 1.349 887 H LEU 115 HN LEU 115 3.666 -2.725 -4.509 888 HA LEU 115 HA LEU 115 3.071 -5.605 -4.602 889 HB2 LEU 115 2HB LEU 115 3.724 -4.684 -6.743 890 HB3 LEU 115 1HB LEU 115 5.116 -3.876 -6.040 891 HG LEU 115 HG LEU 115 6.148 -6.051 -5.538 892 HD11 LEU 115 1HD1 LEU 115 4.485 -7.595 -5.094 893 HD12 LEU 115 2HD1 LEU 115 4.844 -8.025 -6.768 894 HD13 LEU 115 3HD1 LEU 115 3.457 -7.007 -6.399 895 HD21 LEU 115 1HD2 LEU 115 6.079 -6.954 -8.041 896 HD22 LEU 115 2HD2 LEU 115 6.864 -5.421 -7.652 897 HD23 LEU 115 3HD2 LEU 115 5.235 -5.429 -8.320 898 H VAL 116 HN VAL 116 3.903 -6.800 -3.038 899 HA VAL 116 HA VAL 116 6.411 -5.890 -1.824 900 HB VAL 116 HB VAL 116 5.642 -6.193 0.264 901 HG11 VAL 116 1HG1 VAL 116 2.966 -6.241 -1.164 902 HG12 VAL 116 2HG1 VAL 116 3.917 -4.785 -0.879 903 HG13 VAL 116 3HG1 VAL 116 3.259 -5.693 0.483 904 HG21 VAL 116 1HG2 VAL 116 4.074 -8.539 -0.836 905 HG22 VAL 116 2HG2 VAL 116 3.925 -7.985 0.831 906 HG23 VAL 116 3HG2 VAL 116 5.471 -8.579 0.240 907 H GLY 117 HN GLY 117 8.050 -7.313 -1.576 908 HA2 GLY 117 2HA GLY 117 8.417 -9.864 -1.314 909 HA3 GLY 117 1HA GLY 117 7.661 -9.883 -2.899 910 H ARG 118 HN ARG 118 10.554 -9.816 -1.358 911 HA ARG 118 HA ARG 118 11.867 -8.999 -3.830 912 HB2 ARG 118 2HB ARG 118 13.034 -7.210 -3.038 913 HB3 ARG 118 1HB ARG 118 11.636 -7.093 -1.994 914 HG2 ARG 118 2HG ARG 118 13.263 -6.971 -0.390 915 HG3 ARG 118 1HG ARG 118 13.110 -8.714 -0.434 916 HD2 ARG 118 2HD ARG 118 15.011 -7.946 -2.452 917 HD3 ARG 118 1HD ARG 118 15.406 -7.087 -0.974 918 HE ARG 118 HE ARG 118 14.886 -9.932 -0.652 919 HH11 ARG 118 1HH1 ARG 118 16.658 -11.124 0.122 920 HH12 ARG 118 2HH1 ARG 118 18.234 -10.406 0.145 921 HH21 ARG 118 1HH2 ARG 118 17.175 -7.385 -1.181 922 HH22 ARG 118 2HH2 ARG 118 18.526 -8.292 -0.591 923 H ASP 119 HN ASP 119 11.441 -11.319 -1.758 924 HA ASP 119 HA ASP 119 13.820 -12.136 -0.662 925 HB2 ASP 119 2HB ASP 119 11.384 -13.394 -1.491 926 HB3 ASP 119 1HB ASP 119 12.748 -14.453 -1.838 927 HA PRO 120 HA PRO 120 15.445 -13.991 -4.715 928 HB2 PRO 120 2HB PRO 120 14.120 -13.691 -7.046 929 HB3 PRO 120 1HB PRO 120 13.674 -14.946 -5.871 930 HG2 PRO 120 2HG PRO 120 12.398 -12.316 -6.410 931 HG3 PRO 120 1HG PRO 120 11.647 -13.881 -6.052 932 HD2 PRO 120 2HD PRO 120 12.007 -11.859 -4.186 933 HD3 PRO 120 1HD PRO 120 11.807 -13.576 -3.782 934 H LYS 121 HN LYS 121 14.708 -10.910 -4.090 935 HA LYS 121 HA LYS 121 15.708 -8.914 -4.566 936 HB2 LYS 121 2HB LYS 121 17.703 -10.625 -4.822 937 HB3 LYS 121 1HB LYS 121 17.571 -10.186 -6.523 938 HG2 LYS 121 2HG LYS 121 17.779 -7.801 -5.935 939 HG3 LYS 121 1HG LYS 121 17.903 -8.232 -4.227 940 HD2 LYS 121 2HD LYS 121 19.865 -9.755 -4.981 941 HD3 LYS 121 1HD LYS 121 19.864 -8.769 -6.445 942 HE2 LYS 121 2HE LYS 121 20.429 -7.933 -3.608 943 HE3 LYS 121 1HE LYS 121 21.380 -7.627 -5.060 944 HZ1 LYS 121 1HZ LYS 121 19.954 -5.742 -4.074 945 HZ2 LYS 121 2HZ LYS 121 18.655 -6.539 -4.824 946 HZ3 LYS 121 3HZ LYS 121 19.959 -5.973 -5.755 947 H ASN 122 HN ASN 122 13.825 -8.185 -5.601 948 HA ASN 122 HA ASN 122 12.611 -7.263 -7.312 949 HB2 ASN 122 2HB ASN 122 15.249 -7.324 -8.780 950 HB3 ASN 122 1HB ASN 122 13.870 -6.283 -9.129 951 HD21 ASN 122 1HD2 ASN 122 15.879 -7.125 -6.239 952 HD22 ASN 122 2HD2 ASN 122 15.992 -5.526 -5.682 953 H ASN 123 HN ASN 123 11.179 -8.129 -8.663 954 HA ASN 123 HA ASN 123 12.046 -10.255 -10.510 955 HB2 ASN 123 2HB ASN 123 10.559 -10.790 -8.255 956 HB3 ASN 123 1HB ASN 123 9.318 -10.577 -9.486 957 HD21 ASN 123 1HD2 ASN 123 11.801 -12.719 -8.330 958 HD22 ASN 123 2HD2 ASN 123 11.634 -13.893 -9.545 959 H LEU 124 HN LEU 124 11.729 -9.438 -12.470 960 HA LEU 124 HA LEU 124 10.059 -7.245 -13.046 961 HB2 LEU 124 2HB LEU 124 10.475 -7.942 -15.458 962 HB3 LEU 124 1HB LEU 124 11.910 -7.616 -14.486 963 HG LEU 124 HG LEU 124 11.046 -10.389 -14.237 964 HD11 LEU 124 1HD1 LEU 124 10.259 -10.211 -16.498 965 HD12 LEU 124 2HD1 LEU 124 11.843 -10.981 -16.576 966 HD13 LEU 124 3HD1 LEU 124 11.672 -9.274 -16.981 967 HD21 LEU 124 1HD2 LEU 124 13.609 -9.191 -15.329 968 HD22 LEU 124 2HD2 LEU 124 13.398 -10.794 -14.626 969 HD23 LEU 124 3HD2 LEU 124 13.267 -9.363 -13.606 970 H GLU 125 HN GLU 125 9.515 -10.701 -13.186 971 HA GLU 125 HA GLU 125 7.140 -10.603 -14.743 972 HB2 GLU 125 2HB GLU 125 8.250 -12.625 -12.794 973 HB3 GLU 125 1HB GLU 125 6.718 -12.870 -13.634 974 HG2 GLU 125 2HG GLU 125 9.012 -12.046 -15.326 975 HG3 GLU 125 1HG GLU 125 9.098 -13.669 -14.646 976 H ALA 126 HN ALA 126 7.829 -10.409 -11.312 977 HA ALA 126 HA ALA 126 5.113 -10.448 -10.457 978 HB1 ALA 126 1HB ALA 126 7.074 -10.928 -8.959 979 HB2 ALA 126 2HB ALA 126 5.956 -9.732 -8.306 980 HB3 ALA 126 3HB ALA 126 7.478 -9.213 -9.027 981 H LEU 127 HN LEU 127 7.447 -7.917 -11.306 982 HA LEU 127 HA LEU 127 5.852 -5.734 -10.538 983 HB2 LEU 127 2HB LEU 127 8.276 -6.165 -12.071 984 HB3 LEU 127 1HB LEU 127 7.285 -4.897 -12.783 985 HG LEU 127 HG LEU 127 7.951 -4.994 -9.832 986 HD11 LEU 127 1HD1 LEU 127 9.636 -3.219 -10.391 987 HD12 LEU 127 2HD1 LEU 127 9.378 -3.572 -12.100 988 HD13 LEU 127 3HD1 LEU 127 10.054 -4.807 -11.038 989 HD21 LEU 127 1HD2 LEU 127 6.098 -3.519 -11.300 990 HD22 LEU 127 2HD2 LEU 127 7.469 -2.421 -11.140 991 HD23 LEU 127 3HD2 LEU 127 6.712 -3.102 -9.700 992 H GLU 128 HN GLU 128 5.998 -7.620 -13.536 993 HA GLU 128 HA GLU 128 4.210 -5.957 -14.988 994 HB2 GLU 128 2HB GLU 128 5.741 -7.829 -15.876 995 HB3 GLU 128 1HB GLU 128 4.474 -8.941 -15.358 996 HG2 GLU 128 2HG GLU 128 3.596 -8.553 -17.416 997 HG3 GLU 128 1HG GLU 128 3.013 -7.054 -16.695 998 H ASP 129 HN ASP 129 3.793 -8.857 -13.001 999 HA ASP 129 HA ASP 129 1.022 -9.159 -13.345 1000 HB2 ASP 129 2HB ASP 129 2.346 -10.899 -12.267 1001 HB3 ASP 129 1HB ASP 129 2.747 -9.807 -10.941 1002 H PHE 130 HN PHE 130 2.892 -7.293 -10.984 1003 HA PHE 130 HA PHE 130 0.647 -6.288 -9.576 1004 HB2 PHE 130 2HB PHE 130 2.695 -6.050 -8.463 1005 HB3 PHE 130 1HB PHE 130 3.520 -5.472 -9.910 1006 HD1 PHE 130 1HD PHE 130 1.252 -4.587 -7.171 1007 HD2 PHE 130 2HD PHE 130 3.309 -3.159 -10.647 1008 HE1 PHE 130 1HE PHE 130 0.775 -2.282 -6.502 1009 HE2 PHE 130 2HE PHE 130 2.824 -0.828 -9.967 1010 HZ PHE 130 HZ PHE 130 1.552 -0.380 -7.889 1011 H GLU 131 HN GLU 131 2.627 -5.074 -12.232 1012 HA GLU 131 HA GLU 131 1.329 -2.625 -12.639 1013 HB2 GLU 131 2HB GLU 131 3.520 -3.423 -13.683 1014 HB3 GLU 131 1HB GLU 131 2.530 -4.313 -14.839 1015 HG2 GLU 131 2HG GLU 131 1.368 -2.165 -15.409 1016 HG3 GLU 131 1HG GLU 131 2.502 -1.321 -14.359 1017 H LYS 132 HN LYS 132 0.299 -5.847 -13.191 1018 HA LYS 132 HA LYS 132 -1.672 -5.099 -15.198 1019 HB2 LYS 132 2HB LYS 132 -0.625 -7.577 -14.104 1020 HB3 LYS 132 1HB LYS 132 -2.387 -7.571 -14.058 1021 HG2 LYS 132 2HG LYS 132 -2.534 -7.173 -16.415 1022 HG3 LYS 132 1HG LYS 132 -0.813 -6.799 -16.525 1023 HD2 LYS 132 2HD LYS 132 -1.306 -9.088 -17.346 1024 HD3 LYS 132 1HD LYS 132 -0.243 -9.107 -15.938 1025 HE2 LYS 132 2HE LYS 132 -2.249 -10.757 -15.973 1026 HE3 LYS 132 1HE LYS 132 -1.960 -9.835 -14.498 1027 HZ1 LYS 132 1HZ LYS 132 -3.682 -8.627 -16.523 1028 HZ2 LYS 132 2HZ LYS 132 -3.777 -8.549 -14.828 1029 HZ3 LYS 132 3HZ LYS 132 -4.317 -9.936 -15.650 1030 H ALA 133 HN ALA 133 -1.419 -5.852 -11.775 1031 HA ALA 133 HA ALA 133 -4.154 -5.651 -11.134 1032 HB1 ALA 133 1HB ALA 133 -2.474 -6.531 -9.549 1033 HB2 ALA 133 2HB ALA 133 -3.412 -5.228 -8.822 1034 HB3 ALA 133 3HB ALA 133 -1.777 -4.918 -9.401 1035 H ALA 134 HN ALA 134 -1.603 -3.168 -11.079 1036 HA ALA 134 HA ALA 134 -3.256 -1.044 -10.317 1037 HB1 ALA 134 1HB ALA 134 -1.160 -0.190 -10.281 1038 HB2 ALA 134 2HB ALA 134 -1.397 0.104 -12.002 1039 HB3 ALA 134 3HB ALA 134 -0.579 -1.362 -11.462 1040 H GLY 135 HN GLY 135 -2.384 -2.362 -13.480 1041 HA2 GLY 135 2HA GLY 135 -3.838 -0.509 -14.991 1042 HA3 GLY 135 1HA GLY 135 -3.495 -2.165 -15.501 1043 H ALA 136 HN ALA 136 -4.765 -3.725 -13.822 1044 HA ALA 136 HA ALA 136 -7.441 -3.688 -14.590 1045 HB1 ALA 136 1HB ALA 136 -6.267 -5.701 -13.760 1046 HB2 ALA 136 2HB ALA 136 -7.778 -5.423 -12.891 1047 HB3 ALA 136 3HB ALA 136 -6.237 -4.999 -12.142 1048 H ARG 137 HN ARG 137 -5.830 -1.824 -12.236 1049 HA ARG 137 HA ARG 137 -8.388 -1.100 -10.957 1050 HB2 ARG 137 2HB ARG 137 -5.551 -0.860 -9.945 1051 HB3 ARG 137 1HB ARG 137 -6.979 -0.285 -9.085 1052 HG2 ARG 137 2HG ARG 137 -6.949 -3.125 -10.018 1053 HG3 ARG 137 1HG ARG 137 -5.965 -2.706 -8.617 1054 HD2 ARG 137 2HD ARG 137 -7.880 -1.850 -7.436 1055 HD3 ARG 137 1HD ARG 137 -8.892 -1.988 -8.870 1056 HE ARG 137 HE ARG 137 -8.107 -4.148 -7.090 1057 HH11 ARG 137 1HH1 ARG 137 -9.112 -6.141 -7.520 1058 HH12 ARG 137 2HH1 ARG 137 -9.969 -6.368 -9.008 1059 HH21 ARG 137 1HH2 ARG 137 -9.318 -3.171 -10.179 1060 HH22 ARG 137 2HH2 ARG 137 -10.087 -4.687 -10.513 1061 H GLY 138 HN GLY 138 -6.391 -0.183 -13.342 1062 HA2 GLY 138 2HA GLY 138 -6.113 1.781 -14.517 1063 HA3 GLY 138 1HA GLY 138 -7.435 2.435 -13.555 1064 H LEU 139 HN LEU 139 -4.442 1.196 -12.225 1065 HA LEU 139 HA LEU 139 -3.685 3.935 -11.441 1066 HB2 LEU 139 2HB LEU 139 -3.215 1.380 -9.891 1067 HB3 LEU 139 1HB LEU 139 -2.753 3.001 -9.385 1068 HG LEU 139 HG LEU 139 -5.627 2.418 -10.064 1069 HD11 LEU 139 1HD1 LEU 139 -4.834 0.697 -8.410 1070 HD12 LEU 139 2HD1 LEU 139 -6.080 1.768 -7.782 1071 HD13 LEU 139 3HD1 LEU 139 -4.394 2.015 -7.328 1072 HD21 LEU 139 1HD2 LEU 139 -4.977 4.751 -9.711 1073 HD22 LEU 139 2HD2 LEU 139 -4.224 4.335 -8.173 1074 HD23 LEU 139 3HD2 LEU 139 -5.971 4.209 -8.361 1075 H SER 140 HN SER 140 -2.997 2.184 -13.764 1076 HA SER 140 HA SER 140 -0.168 1.596 -13.331 1077 HB2 SER 140 2HB SER 140 -2.000 1.233 -15.709 1078 HB3 SER 140 1HB SER 140 -0.287 0.807 -15.714 1079 HG SER 140 HG SER 140 -2.003 -0.092 -13.679 1080 H THR 141 HN THR 141 -1.593 4.353 -13.549 1081 HA THR 141 HA THR 141 0.500 5.544 -15.242 1082 HB THR 141 HB THR 141 -1.355 7.192 -16.009 1083 HG1 THR 141 1HG THR 141 -3.377 6.465 -15.863 1084 HG21 THR 141 1HG2 THR 141 -2.038 5.471 -17.817 1085 HG22 THR 141 2HG2 THR 141 -0.956 4.364 -16.971 1086 HG23 THR 141 3HG2 THR 141 -0.326 5.861 -17.660 1087 H GLU 142 HN GLU 142 -0.308 5.328 -12.256 1088 HA GLU 142 HA GLU 142 -0.826 8.093 -11.537 1089 HB2 GLU 142 2HB GLU 142 0.107 5.940 -9.646 1090 HB3 GLU 142 1HB GLU 142 -0.871 7.366 -9.292 1091 HG2 GLU 142 2HG GLU 142 -1.681 4.899 -10.826 1092 HG3 GLU 142 1HG GLU 142 -2.388 5.520 -9.338 1093 H SER 143 HN SER 143 1.134 7.431 -9.181 1094 HA SER 143 HA SER 143 3.380 8.860 -10.402 1095 HB2 SER 143 2HB SER 143 2.411 8.463 -7.595 1096 HB3 SER 143 1HB SER 143 4.084 8.932 -7.885 1097 HG SER 143 HG SER 143 1.767 10.252 -8.875 1098 H ILE 144 HN ILE 144 2.528 5.699 -9.397 1099 HA ILE 144 HA ILE 144 3.829 3.920 -8.646 1100 HB ILE 144 HB ILE 144 4.423 4.599 -11.478 1101 HG12 ILE 144 2HG1 ILE 144 2.169 3.727 -10.417 1102 HG13 ILE 144 1HG1 ILE 144 2.733 3.078 -11.956 1103 HG21 ILE 144 1HG2 ILE 144 5.521 2.345 -9.824 1104 HG22 ILE 144 2HG2 ILE 144 6.363 3.369 -10.987 1105 HG23 ILE 144 3HG2 ILE 144 5.243 2.136 -11.553 1106 HD11 ILE 144 1HD1 ILE 144 2.014 1.390 -10.128 1107 HD12 ILE 144 2HD1 ILE 144 3.541 1.792 -9.347 1108 HD13 ILE 144 3HD1 ILE 144 3.533 1.103 -10.971 1109 H LEU 145 HN LEU 145 5.242 4.056 -7.130 1110 HA LEU 145 HA LEU 145 7.951 4.954 -7.851 1111 HB2 LEU 145 2HB LEU 145 6.825 6.531 -6.317 1112 HB3 LEU 145 1HB LEU 145 6.580 5.219 -5.169 1113 HG LEU 145 HG LEU 145 9.223 4.948 -5.422 1114 HD11 LEU 145 1HD1 LEU 145 10.410 6.827 -6.058 1115 HD12 LEU 145 2HD1 LEU 145 9.055 7.916 -5.747 1116 HD13 LEU 145 3HD1 LEU 145 9.055 6.900 -7.188 1117 HD21 LEU 145 1HD2 LEU 145 7.933 7.184 -3.839 1118 HD22 LEU 145 2HD2 LEU 145 9.491 6.435 -3.492 1119 HD23 LEU 145 3HD2 LEU 145 8.010 5.493 -3.347 1120 H ILE 146 HN ILE 146 9.574 3.665 -7.380 1121 HA ILE 146 HA ILE 146 9.024 1.084 -6.063 1122 HB ILE 146 HB ILE 146 11.350 1.824 -7.847 1123 HG12 ILE 146 2HG1 ILE 146 9.761 0.021 -9.216 1124 HG13 ILE 146 1HG1 ILE 146 8.574 1.082 -8.455 1125 HG21 ILE 146 1HG2 ILE 146 10.629 -0.965 -7.758 1126 HG22 ILE 146 2HG2 ILE 146 10.856 -0.368 -6.114 1127 HG23 ILE 146 3HG2 ILE 146 12.153 -0.207 -7.296 1128 HD11 ILE 146 1HD1 ILE 146 9.799 3.051 -9.361 1129 HD12 ILE 146 2HD1 ILE 146 9.196 1.992 -10.636 1130 HD13 ILE 146 3HD1 ILE 146 10.903 1.955 -10.190 1131 HA PRO 147 HA PRO 147 11.563 3.844 -3.224 1132 HB2 PRO 147 2HB PRO 147 10.569 2.701 -0.896 1133 HB3 PRO 147 1HB PRO 147 9.932 4.161 -1.675 1134 HG2 PRO 147 2HG PRO 147 8.967 1.363 -1.818 1135 HG3 PRO 147 1HG PRO 147 8.039 2.869 -1.742 1136 HD2 PRO 147 2HD PRO 147 8.331 1.509 -4.038 1137 HD3 PRO 147 1HD PRO 147 8.282 3.284 -4.024 1138 H ARG 148 HN ARG 148 13.570 3.213 -3.133 1139 HA ARG 148 HA ARG 148 14.639 0.694 -3.299 1140 HB2 ARG 148 2HB ARG 148 15.832 2.971 -3.345 1141 HB3 ARG 148 1HB ARG 148 15.916 2.824 -1.590 1142 HG2 ARG 148 2HG ARG 148 17.895 1.774 -2.112 1143 HG3 ARG 148 1HG ARG 148 16.819 0.383 -2.241 1144 HD2 ARG 148 2HD ARG 148 16.545 0.934 -4.690 1145 HD3 ARG 148 1HD ARG 148 17.814 2.141 -4.496 1146 HE ARG 148 HE ARG 148 18.165 -0.731 -4.590 1147 HH11 ARG 148 1HH1 ARG 148 20.317 -1.450 -4.506 1148 HH12 ARG 148 2HH1 ARG 148 21.571 -0.359 -4.017 1149 HH21 ARG 148 1HH2 ARG 148 19.419 2.316 -3.535 1150 HH22 ARG 148 2HH2 ARG 148 21.062 1.774 -3.467 1151 H GLN 149 HN GLN 149 15.338 -0.869 -1.858 1152 HA GLN 149 HA GLN 149 13.768 -1.204 0.501 1153 HB2 GLN 149 2HB GLN 149 15.530 -2.799 -1.114 1154 HB3 GLN 149 1HB GLN 149 15.970 -2.975 0.584 1155 HG2 GLN 149 2HG GLN 149 14.263 -4.627 -0.001 1156 HG3 GLN 149 1HG GLN 149 13.596 -3.450 1.128 1157 HE21 GLN 149 1HE2 GLN 149 11.923 -2.020 0.358 1158 HE22 GLN 149 2HE2 GLN 149 11.217 -2.197 -1.176 1159 H SER 150 HN SER 150 14.103 -0.006 2.263 1160 HA SER 150 HA SER 150 16.890 0.501 3.124 1161 HB2 SER 150 2HB SER 150 15.346 2.482 2.517 1162 HB3 SER 150 1HB SER 150 14.507 2.107 4.020 1163 HG SER 150 HG SER 150 16.692 2.185 4.981 1164 H GLU 151 HN GLU 151 17.040 -1.466 4.279 1165 HA GLU 151 HA GLU 151 15.376 -2.719 5.973 1166 HB2 GLU 151 2HB GLU 151 18.266 -2.078 6.597 1167 HB3 GLU 151 1HB GLU 151 17.320 -3.382 7.314 1168 HG2 GLU 151 2HG GLU 151 17.018 -3.618 4.507 1169 HG3 GLU 151 1HG GLU 151 18.736 -3.358 4.807 1170 H THR 152 HN THR 152 16.646 0.475 6.462 1171 HA THR 152 HA THR 152 15.051 0.685 8.916 1172 HB THR 152 HB THR 152 17.190 0.277 9.862 1173 HG1 THR 152 1HG THR 152 16.276 2.059 10.803 1174 HG21 THR 152 1HG2 THR 152 18.817 0.403 8.251 1175 HG22 THR 152 2HG2 THR 152 19.064 1.990 8.978 1176 HG23 THR 152 3HG2 THR 152 18.112 1.834 7.501 1177 H CYS 153 HN CYS 153 14.386 2.810 9.413 1178 HA CYS 153 HA CYS 153 14.134 4.513 7.092 1179 HB2 CYS 153 2HB CYS 153 12.374 4.019 8.971 1180 HB3 CYS 153 1HB CYS 153 13.220 5.299 9.840 1181 H SER 154 HN SER 154 15.588 5.989 6.560 1182 HA SER 154 HA SER 154 16.579 7.938 8.315 1183 HB2 SER 154 2HB SER 154 19.052 6.738 7.691 1184 HB3 SER 154 1HB SER 154 18.326 6.923 9.285 1185 HG SER 154 HG SER 154 18.365 4.803 9.178 1186 HA PRO 155 HA PRO 155 16.929 9.849 4.299 1187 HB2 PRO 155 2HB PRO 155 19.426 11.041 5.448 1188 HB3 PRO 155 1HB PRO 155 18.099 11.832 4.577 1189 HG2 PRO 155 2HG PRO 155 18.367 11.944 7.257 1190 HG3 PRO 155 1HG PRO 155 16.801 12.003 6.435 1191 HD2 PRO 155 2HD PRO 155 17.931 9.856 8.098 1192 HD3 PRO 155 1HD PRO 155 16.251 10.111 7.574 1193 H GLY 156 HN GLY 156 20.212 9.235 5.581 1194 HA2 GLY 156 2HA GLY 156 21.497 7.312 4.743 1195 HA3 GLY 156 1HA GLY 156 20.784 7.620 3.162 1196 H SER 157 HN SER 157 22.566 9.449 5.662 1197 HA SER 157 HA SER 157 24.086 10.774 3.504 1198 HB2 SER 157 2HB SER 157 22.730 12.128 5.226 1199 HB3 SER 157 1HB SER 157 23.982 11.671 6.378 1200 HG SER 157 HG SER 157 24.198 13.706 5.028 1201 H ASP 158 HN ASP 158 25.038 8.350 3.792 1202 HA ASP 158 HA ASP 158 27.666 8.761 4.896 1203 HB2 ASP 158 2HB ASP 158 27.424 6.580 6.292 1204 HB3 ASP 158 1HB ASP 158 26.829 8.094 6.973 Start of MODEL 2 1 H1 HIS 1 1HT HIS 1 -7.696 -24.107 -5.793 2 H2 HIS 1 2HT HIS 1 -7.128 -25.683 -5.510 3 H3 HIS 1 3HT HIS 1 -6.092 -24.509 -6.172 4 HA HIS 1 HA HIS 1 -7.320 -24.196 -3.500 5 HB2 HIS 1 2HB HIS 1 -4.796 -24.863 -2.898 6 HB3 HIS 1 1HB HIS 1 -6.070 -26.076 -3.028 7 HD1 HIS 1 1HD HIS 1 -2.803 -25.257 -4.346 8 HD2 HIS 1 2HD HIS 1 -6.182 -27.197 -5.830 9 HE1 HIS 1 1HE HIS 1 -2.039 -26.585 -6.364 10 H HIS 2 HN HIS 2 -5.849 -22.928 -6.194 11 HA HIS 2 HA HIS 2 -4.571 -20.748 -4.649 12 HB2 HIS 2 2HB HIS 2 -3.888 -21.982 -7.309 13 HB3 HIS 2 1HB HIS 2 -3.353 -20.353 -6.891 14 HD1 HIS 2 1HD HIS 2 -3.503 -23.549 -4.800 15 HD2 HIS 2 2HD HIS 2 -0.760 -20.644 -5.993 16 HE1 HIS 2 1HE HIS 2 -1.319 -24.108 -3.645 17 H LEU 3 HN LEU 3 -6.119 -19.180 -4.508 18 HA LEU 3 HA LEU 3 -6.811 -17.650 -6.765 19 HB2 LEU 3 2HB LEU 3 -8.334 -19.671 -7.105 20 HB3 LEU 3 1HB LEU 3 -9.147 -19.194 -5.615 21 HG LEU 3 HG LEU 3 -9.191 -16.822 -6.847 22 HD11 LEU 3 1HD1 LEU 3 -7.950 -18.024 -8.809 23 HD12 LEU 3 2HD1 LEU 3 -9.281 -16.929 -9.189 24 HD13 LEU 3 3HD1 LEU 3 -9.545 -18.672 -9.194 25 HD21 LEU 3 1HD2 LEU 3 -11.045 -19.182 -7.234 26 HD22 LEU 3 2HD2 LEU 3 -11.448 -17.563 -7.807 27 HD23 LEU 3 3HD2 LEU 3 -11.208 -17.854 -6.085 28 H LEU 4 HN LEU 4 -6.552 -15.754 -5.689 29 HA LEU 4 HA LEU 4 -6.791 -14.111 -4.114 30 HB2 LEU 4 2HB LEU 4 -9.207 -14.430 -4.731 31 HB3 LEU 4 1HB LEU 4 -9.354 -15.573 -3.401 32 HG LEU 4 HG LEU 4 -8.745 -13.804 -1.794 33 HD11 LEU 4 1HD1 LEU 4 -8.898 -11.398 -2.942 34 HD12 LEU 4 2HD1 LEU 4 -8.254 -12.288 -4.322 35 HD13 LEU 4 3HD1 LEU 4 -7.361 -12.251 -2.801 36 HD21 LEU 4 1HD2 LEU 4 -11.061 -13.896 -2.019 37 HD22 LEU 4 2HD2 LEU 4 -11.019 -13.379 -3.704 38 HD23 LEU 4 3HD2 LEU 4 -10.737 -12.208 -2.416 39 H ALA 5 HN ALA 5 -6.761 -13.719 -1.727 40 HA ALA 5 HA ALA 5 -5.083 -15.547 -0.413 41 HB1 ALA 5 1HB ALA 5 -4.842 -13.717 0.849 42 HB2 ALA 5 2HB ALA 5 -6.406 -14.074 1.582 43 HB3 ALA 5 3HB ALA 5 -6.311 -13.010 0.180 44 H SER 6 HN SER 6 -5.435 -17.299 0.797 45 HA SER 6 HA SER 6 -8.068 -18.432 0.935 46 HB2 SER 6 2HB SER 6 -5.462 -19.401 1.019 47 HB3 SER 6 1HB SER 6 -6.077 -19.687 2.644 48 HG SER 6 HG SER 6 -7.356 -21.160 1.865 49 H ASP 7 HN ASP 7 -9.096 -19.140 2.913 50 HA ASP 7 HA ASP 7 -9.120 -17.056 4.917 51 HB2 ASP 7 2HB ASP 7 -10.686 -19.294 5.720 52 HB3 ASP 7 1HB ASP 7 -11.241 -17.741 5.103 53 H GLU 8 HN GLU 8 -8.937 -20.596 5.226 54 HA GLU 8 HA GLU 8 -8.263 -21.115 7.705 55 HB2 GLU 8 2HB GLU 8 -6.336 -22.177 5.671 56 HB3 GLU 8 1HB GLU 8 -7.105 -23.010 7.021 57 HG2 GLU 8 2HG GLU 8 -9.326 -22.448 5.720 58 HG3 GLU 8 1HG GLU 8 -8.244 -22.307 4.335 59 H GLU 9 HN GLU 9 -5.940 -19.599 5.485 60 HA GLU 9 HA GLU 9 -4.658 -18.018 7.346 61 HB2 GLU 9 2HB GLU 9 -2.471 -19.449 7.512 62 HB3 GLU 9 1HB GLU 9 -3.794 -19.764 8.624 63 HG2 GLU 9 2HG GLU 9 -4.290 -21.785 7.677 64 HG3 GLU 9 1HG GLU 9 -3.902 -21.229 6.049 65 H ILE 10 HN ILE 10 -5.407 -18.240 4.517 66 HA ILE 10 HA ILE 10 -4.639 -17.588 2.461 67 HB ILE 10 HB ILE 10 -2.273 -16.528 4.032 68 HG12 ILE 10 2HG1 ILE 10 -4.886 -15.180 3.274 69 HG13 ILE 10 1HG1 ILE 10 -4.466 -15.722 4.899 70 HG21 ILE 10 1HG2 ILE 10 -3.070 -14.942 1.788 71 HG22 ILE 10 2HG2 ILE 10 -2.883 -16.610 1.249 72 HG23 ILE 10 3HG2 ILE 10 -1.542 -15.783 2.042 73 HD11 ILE 10 1HD1 ILE 10 -2.363 -14.252 4.654 74 HD12 ILE 10 2HD1 ILE 10 -3.898 -13.416 4.878 75 HD13 ILE 10 3HD1 ILE 10 -3.181 -13.522 3.270 76 H GLN 11 HN GLN 11 -1.315 -17.589 2.959 77 HA GLN 11 HA GLN 11 -0.740 -20.370 2.671 78 HB2 GLN 11 2HB GLN 11 -1.730 -19.954 0.436 79 HB3 GLN 11 1HB GLN 11 -0.530 -18.690 0.159 80 HG2 GLN 11 2HG GLN 11 0.796 -21.086 1.052 81 HG3 GLN 11 1HG GLN 11 -0.247 -21.469 -0.317 82 HE21 GLN 11 1HE2 GLN 11 1.275 -21.572 -2.022 83 HE22 GLN 11 2HE2 GLN 11 2.304 -20.289 -2.444 84 H ASP 12 HN ASP 12 0.183 -17.027 2.261 85 HA ASP 12 HA ASP 12 2.685 -17.457 3.621 86 HB2 ASP 12 2HB ASP 12 3.202 -18.100 1.240 87 HB3 ASP 12 1HB ASP 12 2.794 -16.451 0.772 88 H VAL 13 HN VAL 13 2.923 -15.744 4.883 89 HA VAL 13 HA VAL 13 2.683 -13.051 3.991 90 HB VAL 13 HB VAL 13 0.816 -12.519 5.721 91 HG11 VAL 13 1HG1 VAL 13 -0.733 -12.372 4.023 92 HG12 VAL 13 2HG1 VAL 13 -0.397 -13.989 3.425 93 HG13 VAL 13 3HG1 VAL 13 0.694 -12.661 3.037 94 HG21 VAL 13 1HG2 VAL 13 -0.265 -15.216 5.071 95 HG22 VAL 13 2HG2 VAL 13 -0.529 -14.210 6.496 96 HG23 VAL 13 3HG2 VAL 13 0.972 -15.121 6.324 97 H SER 14 HN SER 14 2.830 -15.368 6.618 98 HA SER 14 HA SER 14 3.664 -13.587 8.665 99 HB2 SER 14 2HB SER 14 4.891 -16.165 8.975 100 HB3 SER 14 1HB SER 14 3.548 -15.470 9.877 101 HG SER 14 HG SER 14 2.141 -16.391 8.517 102 H GLY 15 HN GLY 15 5.612 -12.635 9.036 103 HA2 GLY 15 2HA GLY 15 8.076 -12.962 8.994 104 HA3 GLY 15 1HA GLY 15 7.875 -13.496 7.329 105 H THR 16 HN THR 16 9.612 -11.555 7.634 106 HA THR 16 HA THR 16 8.400 -8.941 7.394 107 HB THR 16 HB THR 16 11.165 -9.077 6.551 108 HG1 THR 16 1HG THR 16 11.591 -10.746 7.798 109 HG21 THR 16 1HG2 THR 16 11.430 -7.457 8.352 110 HG22 THR 16 2HG2 THR 16 9.864 -7.908 9.027 111 HG23 THR 16 3HG2 THR 16 9.948 -7.097 7.463 112 H TRP 17 HN TRP 17 8.589 -7.621 5.482 113 HA TRP 17 HA TRP 17 9.168 -9.049 2.990 114 HB2 TRP 17 2HB TRP 17 6.562 -7.630 3.580 115 HB3 TRP 17 1HB TRP 17 7.070 -8.134 1.972 116 HD1 TRP 17 1HD TRP 17 6.359 -9.670 5.438 117 HE1 TRP 17 1HE TRP 17 5.497 -12.073 5.100 118 HE3 TRP 17 3HE TRP 17 6.820 -10.067 0.374 119 HZ2 TRP 17 2HZ TRP 17 5.051 -13.917 2.959 120 HZ3 TRP 17 3HZ TRP 17 6.158 -12.144 -0.796 121 HH2 TRP 17 2HH TRP 17 5.278 -14.075 0.491 122 H TYR 18 HN TYR 18 8.704 -7.307 1.122 123 HA TYR 18 HA TYR 18 9.716 -4.684 1.986 124 HB2 TYR 18 2HB TYR 18 10.868 -6.210 -0.360 125 HB3 TYR 18 1HB TYR 18 11.422 -4.668 0.289 126 HD1 TYR 18 1HD TYR 18 11.895 -8.183 0.373 127 HD2 TYR 18 2HD TYR 18 12.078 -4.672 2.841 128 HE1 TYR 18 1HE TYR 18 13.379 -9.376 1.962 129 HE2 TYR 18 2HE TYR 18 13.561 -5.867 4.429 130 HH TYR 18 HH TYR 18 14.161 -9.295 4.159 131 H LEU 19 HN LEU 19 9.512 -3.071 0.158 132 HA LEU 19 HA LEU 19 7.072 -3.646 -1.416 133 HB2 LEU 19 2HB LEU 19 7.183 -1.756 0.373 134 HB3 LEU 19 1HB LEU 19 8.176 -0.910 -0.811 135 HG LEU 19 HG LEU 19 6.311 -1.382 -2.497 136 HD11 LEU 19 1HD1 LEU 19 4.222 -1.401 -0.518 137 HD12 LEU 19 2HD1 LEU 19 5.254 -2.806 -0.272 138 HD13 LEU 19 3HD1 LEU 19 4.499 -2.534 -1.839 139 HD21 LEU 19 1HD2 LEU 19 6.176 0.835 -2.032 140 HD22 LEU 19 2HD2 LEU 19 6.439 0.574 -0.309 141 HD23 LEU 19 3HD2 LEU 19 4.822 0.395 -0.988 142 H LYS 20 HN LYS 20 7.365 -3.882 -3.542 143 HA LYS 20 HA LYS 20 9.868 -2.855 -4.725 144 HB2 LYS 20 2HB LYS 20 8.075 -4.952 -5.921 145 HB3 LYS 20 1HB LYS 20 9.777 -4.634 -6.261 146 HG2 LYS 20 2HG LYS 20 10.045 -5.093 -3.672 147 HG3 LYS 20 1HG LYS 20 8.540 -5.981 -3.886 148 HD2 LYS 20 2HD LYS 20 9.985 -7.689 -4.404 149 HD3 LYS 20 1HD LYS 20 9.893 -6.951 -6.003 150 HE2 LYS 20 2HE LYS 20 11.995 -6.273 -3.922 151 HE3 LYS 20 1HE LYS 20 12.242 -7.388 -5.264 152 HZ1 LYS 20 1HZ LYS 20 11.716 -5.585 -6.796 153 HZ2 LYS 20 2HZ LYS 20 13.047 -5.193 -5.817 154 HZ3 LYS 20 3HZ LYS 20 11.523 -4.516 -5.494 155 H ALA 21 HN ALA 21 6.498 -2.360 -4.730 156 HA ALA 21 HA ALA 21 6.757 -0.328 -6.761 157 HB1 ALA 21 1HB ALA 21 6.244 -2.794 -7.780 158 HB2 ALA 21 2HB ALA 21 5.693 -1.289 -8.518 159 HB3 ALA 21 3HB ALA 21 4.607 -2.213 -7.483 160 H MET 22 HN MET 22 5.278 1.271 -6.434 161 HA MET 22 HA MET 22 2.846 0.630 -4.945 162 HB2 MET 22 2HB MET 22 4.103 1.152 -3.076 163 HB3 MET 22 1HB MET 22 5.105 2.316 -3.941 164 HG2 MET 22 2HG MET 22 3.421 3.966 -3.904 165 HG3 MET 22 1HG MET 22 2.156 2.798 -3.519 166 HE1 MET 22 1HE MET 22 3.365 5.568 -0.614 167 HE2 MET 22 2HE MET 22 2.176 5.378 -1.903 168 HE3 MET 22 3HE MET 22 3.873 5.622 -2.310 169 H THR 23 HN THR 23 1.417 1.306 -6.385 170 HA THR 23 HA THR 23 1.816 3.607 -8.051 171 HB THR 23 HB THR 23 0.449 1.639 -8.725 172 HG1 THR 23 1HG THR 23 -0.755 4.193 -8.618 173 HG21 THR 23 1HG2 THR 23 -1.901 2.602 -7.248 174 HG22 THR 23 2HG2 THR 23 -0.649 1.876 -6.238 175 HG23 THR 23 3HG2 THR 23 -1.358 0.955 -7.561 176 H VAL 24 HN VAL 24 1.124 5.665 -7.834 177 HA VAL 24 HA VAL 24 -0.656 6.300 -5.564 178 HB VAL 24 HB VAL 24 1.599 8.173 -6.041 179 HG11 VAL 24 1HG1 VAL 24 0.517 7.088 -3.444 180 HG12 VAL 24 2HG1 VAL 24 -0.353 8.333 -4.341 181 HG13 VAL 24 3HG1 VAL 24 1.279 8.649 -3.751 182 HG21 VAL 24 1HG2 VAL 24 1.867 5.485 -4.674 183 HG22 VAL 24 2HG2 VAL 24 3.020 6.804 -4.481 184 HG23 VAL 24 3HG2 VAL 24 2.792 6.055 -6.063 185 H ASP 25 HN ASP 25 -2.369 7.160 -6.489 186 HA ASP 25 HA ASP 25 -2.705 8.297 -8.949 187 HB2 ASP 25 2HB ASP 25 -4.443 9.775 -7.412 188 HB3 ASP 25 1HB ASP 25 -4.760 8.162 -8.051 189 H ARG 26 HN ARG 26 -0.654 9.572 -6.650 190 HA ARG 26 HA ARG 26 0.172 11.667 -6.180 191 HB2 ARG 26 2HB ARG 26 1.055 12.775 -8.251 192 HB3 ARG 26 1HB ARG 26 1.497 11.079 -8.085 193 HG2 ARG 26 2HG ARG 26 -0.205 10.416 -9.678 194 HG3 ARG 26 1HG ARG 26 -0.844 12.061 -9.743 195 HD2 ARG 26 2HD ARG 26 1.154 12.879 -10.780 196 HD3 ARG 26 1HD ARG 26 2.000 11.364 -10.478 197 HE ARG 26 HE ARG 26 -0.157 10.647 -12.022 198 HH11 ARG 26 1HH1 ARG 26 -0.053 10.555 -14.287 199 HH12 ARG 26 2HH1 ARG 26 1.112 11.515 -15.136 200 HH21 ARG 26 1HH2 ARG 26 2.440 12.923 -12.258 201 HH22 ARG 26 2HH2 ARG 26 2.523 12.856 -13.987 202 H GLU 27 HN GLU 27 -2.268 12.006 -5.544 203 HA GLU 27 HA GLU 27 -3.305 14.345 -7.023 204 HB2 GLU 27 2HB GLU 27 -4.925 12.527 -6.839 205 HB3 GLU 27 1HB GLU 27 -4.691 12.466 -5.092 206 HG2 GLU 27 2HG GLU 27 -5.326 15.158 -6.050 207 HG3 GLU 27 1HG GLU 27 -6.597 13.990 -6.410 208 H PHE 28 HN PHE 28 -2.349 13.078 -3.892 209 HA PHE 28 HA PHE 28 -3.002 15.423 -2.394 210 HB2 PHE 28 2HB PHE 28 -1.262 13.015 -1.842 211 HB3 PHE 28 1HB PHE 28 -1.492 14.306 -0.666 212 HD1 PHE 28 1HD PHE 28 -2.837 11.280 -2.029 213 HD2 PHE 28 2HD PHE 28 -3.931 14.936 -0.056 214 HE1 PHE 28 1HE PHE 28 -4.991 10.264 -1.340 215 HE2 PHE 28 2HE PHE 28 -6.085 13.920 0.634 216 HZ PHE 28 HZ PHE 28 -6.615 11.583 -0.010 217 HA PRO 29 HA PRO 29 0.372 18.209 -3.191 218 HB2 PRO 29 2HB PRO 29 1.042 18.028 -0.285 219 HB3 PRO 29 1HB PRO 29 0.798 19.461 -1.299 220 HG2 PRO 29 2HG PRO 29 -1.052 18.573 0.441 221 HG3 PRO 29 1HG PRO 29 -1.464 19.406 -1.067 222 HD2 PRO 29 2HD PRO 29 -1.835 16.569 -0.354 223 HD3 PRO 29 1HD PRO 29 -2.619 17.530 -1.626 224 H GLU 30 HN GLU 30 2.834 18.450 -2.625 225 HA GLU 30 HA GLU 30 4.395 16.593 -3.660 226 HB2 GLU 30 2HB GLU 30 4.856 18.456 -1.390 227 HB3 GLU 30 1HB GLU 30 6.088 17.233 -1.698 228 HG2 GLU 30 2HG GLU 30 6.563 18.054 -3.832 229 HG3 GLU 30 1HG GLU 30 4.991 18.835 -3.989 230 H MET 31 HN MET 31 4.278 16.591 -0.107 231 HA MET 31 HA MET 31 5.271 14.632 1.033 232 HB2 MET 31 2HB MET 31 3.093 13.651 1.934 233 HB3 MET 31 1HB MET 31 3.341 15.378 2.159 234 HG2 MET 31 2HG MET 31 1.834 15.944 0.437 235 HG3 MET 31 1HG MET 31 1.876 14.328 -0.262 236 HE1 MET 31 1HE MET 31 1.263 12.341 2.561 237 HE2 MET 31 2HE MET 31 1.294 12.344 0.800 238 HE3 MET 31 3HE MET 31 -0.234 12.122 1.646 239 H ASN 32 HN ASN 32 6.284 13.493 -0.788 240 HA ASN 32 HA ASN 32 4.683 11.194 -1.697 241 HB2 ASN 32 2HB ASN 32 5.953 11.131 -3.671 242 HB3 ASN 32 1HB ASN 32 5.674 12.849 -3.395 243 HD21 ASN 32 1HD2 ASN 32 8.041 11.085 -4.580 244 HD22 ASN 32 2HD2 ASN 32 9.404 11.801 -3.866 245 H LEU 33 HN LEU 33 5.485 9.147 -1.525 246 HA LEU 33 HA LEU 33 7.198 8.535 0.620 247 HB2 LEU 33 2HB LEU 33 5.433 7.147 -0.969 248 HB3 LEU 33 1HB LEU 33 6.985 6.490 -1.477 249 HG LEU 33 HG LEU 33 6.001 6.666 1.381 250 HD11 LEU 33 1HD1 LEU 33 4.950 4.731 0.902 251 HD12 LEU 33 2HD1 LEU 33 6.531 4.010 0.602 252 HD13 LEU 33 3HD1 LEU 33 5.616 4.720 -0.730 253 HD21 LEU 33 1HD2 LEU 33 8.095 4.930 1.377 254 HD22 LEU 33 2HD2 LEU 33 8.257 6.647 1.750 255 HD23 LEU 33 3HD2 LEU 33 8.621 6.058 0.128 256 H GLU 34 HN GLU 34 9.313 8.938 0.680 257 HA GLU 34 HA GLU 34 10.881 8.969 -1.796 258 HB2 GLU 34 2HB GLU 34 11.112 10.190 0.874 259 HB3 GLU 34 1HB GLU 34 12.635 9.617 0.194 260 HG2 GLU 34 2HG GLU 34 12.225 10.893 -1.860 261 HG3 GLU 34 1HG GLU 34 10.668 11.432 -1.232 262 H SER 35 HN SER 35 10.483 7.164 1.162 263 HA SER 35 HA SER 35 11.987 4.939 0.101 264 HB2 SER 35 2HB SER 35 13.791 4.916 1.561 265 HB3 SER 35 1HB SER 35 13.625 6.646 1.275 266 HG SER 35 HG SER 35 12.992 5.111 3.521 267 H VAL 36 HN VAL 36 11.666 3.009 1.376 268 HA VAL 36 HA VAL 36 9.573 3.276 3.432 269 HB VAL 36 HB VAL 36 8.657 2.550 1.221 270 HG11 VAL 36 1HG1 VAL 36 9.750 -0.168 1.541 271 HG12 VAL 36 2HG1 VAL 36 10.952 1.039 1.082 272 HG13 VAL 36 3HG1 VAL 36 9.524 0.790 0.078 273 HG21 VAL 36 1HG2 VAL 36 8.569 0.400 3.360 274 HG22 VAL 36 2HG2 VAL 36 7.326 0.753 2.162 275 HG23 VAL 36 3HG2 VAL 36 7.662 1.909 3.450 276 H THR 37 HN THR 37 9.530 1.674 5.025 277 HA THR 37 HA THR 37 12.145 0.401 5.414 278 HB THR 37 HB THR 37 11.503 0.258 7.774 279 HG1 THR 37 1HG THR 37 9.123 1.581 7.031 280 HG21 THR 37 1HG2 THR 37 12.408 2.403 6.718 281 HG22 THR 37 2HG2 THR 37 11.578 2.581 8.263 282 HG23 THR 37 3HG2 THR 37 10.749 2.997 6.764 283 HA PRO 38 HA PRO 38 10.885 -3.791 4.654 284 HB2 PRO 38 2HB PRO 38 11.563 -4.224 7.544 285 HB3 PRO 38 1HB PRO 38 12.008 -5.199 6.131 286 HG2 PRO 38 2HG PRO 38 13.712 -3.481 7.293 287 HG3 PRO 38 1HG PRO 38 13.732 -3.819 5.556 288 HD2 PRO 38 2HD PRO 38 12.937 -1.355 6.945 289 HD3 PRO 38 1HD PRO 38 13.320 -1.603 5.230 290 H MET 39 HN MET 39 8.826 -4.536 4.582 291 HA MET 39 HA MET 39 6.878 -3.589 6.505 292 HB2 MET 39 2HB MET 39 6.348 -3.614 4.107 293 HB3 MET 39 1HB MET 39 6.606 -5.353 4.056 294 HG2 MET 39 2HG MET 39 4.759 -5.460 5.897 295 HG3 MET 39 1HG MET 39 4.373 -3.822 5.384 296 HE1 MET 39 1HE MET 39 4.282 -3.115 3.153 297 HE2 MET 39 2HE MET 39 3.211 -3.872 1.980 298 HE3 MET 39 3HE MET 39 4.945 -4.185 1.909 299 H THR 40 HN THR 40 6.184 -4.695 8.220 300 HA THR 40 HA THR 40 7.008 -7.506 8.455 301 HB THR 40 HB THR 40 6.059 -5.710 10.684 302 HG1 THR 40 1HG THR 40 7.906 -4.817 9.749 303 HG21 THR 40 1HG2 THR 40 8.003 -7.865 11.170 304 HG22 THR 40 2HG2 THR 40 6.435 -8.429 10.591 305 HG23 THR 40 3HG2 THR 40 6.535 -7.452 12.056 306 H LEU 41 HN LEU 41 5.436 -8.946 7.950 307 HA LEU 41 HA LEU 41 2.631 -8.146 8.485 308 HB2 LEU 41 2HB LEU 41 3.920 -9.628 6.338 309 HB3 LEU 41 1HB LEU 41 2.564 -10.512 7.040 310 HG LEU 41 HG LEU 41 1.188 -8.383 6.812 311 HD11 LEU 41 1HD1 LEU 41 3.641 -7.590 5.219 312 HD12 LEU 41 2HD1 LEU 41 2.940 -6.739 6.595 313 HD13 LEU 41 3HD1 LEU 41 2.074 -6.795 5.061 314 HD21 LEU 41 1HD2 LEU 41 0.938 -10.221 5.288 315 HD22 LEU 41 2HD2 LEU 41 2.339 -9.706 4.350 316 HD23 LEU 41 3HD2 LEU 41 0.873 -8.721 4.367 317 H THR 42 HN THR 42 1.936 -8.849 10.398 318 HA THR 42 HA THR 42 2.867 -11.467 11.383 319 HB THR 42 HB THR 42 2.870 -10.582 13.455 320 HG1 THR 42 1HG THR 42 0.962 -10.314 14.235 321 HG21 THR 42 1HG2 THR 42 2.153 -7.960 12.130 322 HG22 THR 42 2HG2 THR 42 3.758 -8.680 12.046 323 HG23 THR 42 3HG2 THR 42 3.092 -8.191 13.603 324 H THR 43 HN THR 43 1.470 -13.117 11.534 325 HA THR 43 HA THR 43 -1.282 -12.615 10.647 326 HB THR 43 HB THR 43 0.018 -15.303 11.091 327 HG1 THR 43 1HG THR 43 1.218 -14.623 9.485 328 HG21 THR 43 1HG2 THR 43 -1.766 -16.094 9.669 329 HG22 THR 43 2HG2 THR 43 -2.278 -14.443 9.314 330 HG23 THR 43 3HG2 THR 43 -2.492 -15.103 10.938 331 H LEU 44 HN LEU 44 -2.794 -12.339 12.121 332 HA LEU 44 HA LEU 44 -2.332 -13.136 14.863 333 HB2 LEU 44 2HB LEU 44 -4.876 -11.983 13.751 334 HB3 LEU 44 1HB LEU 44 -4.254 -11.867 15.396 335 HG LEU 44 HG LEU 44 -3.146 -10.533 12.912 336 HD11 LEU 44 1HD1 LEU 44 -4.057 -8.627 13.737 337 HD12 LEU 44 2HD1 LEU 44 -3.571 -9.008 15.389 338 HD13 LEU 44 3HD1 LEU 44 -5.052 -9.698 14.724 339 HD21 LEU 44 1HD2 LEU 44 -1.466 -9.615 14.647 340 HD22 LEU 44 2HD2 LEU 44 -1.203 -11.250 14.070 341 HD23 LEU 44 3HD2 LEU 44 -1.941 -10.977 15.649 342 H GLU 45 HN GLU 45 -2.852 -15.022 15.659 343 HA GLU 45 HA GLU 45 -3.662 -17.168 15.816 344 HB2 GLU 45 2HB GLU 45 -6.181 -15.664 15.066 345 HB3 GLU 45 1HB GLU 45 -6.149 -17.313 15.691 346 HG2 GLU 45 2HG GLU 45 -4.557 -15.503 17.330 347 HG3 GLU 45 1HG GLU 45 -6.235 -14.978 17.215 348 H GLY 46 HN GLY 46 -5.928 -16.185 13.324 349 HA2 GLY 46 2HA GLY 46 -4.570 -17.253 11.090 350 HA3 GLY 46 1HA GLY 46 -5.666 -18.471 11.746 351 H GLY 47 HN GLY 47 -6.625 -15.315 12.413 352 HA2 GLY 47 2HA GLY 47 -8.630 -15.414 10.243 353 HA3 GLY 47 1HA GLY 47 -8.944 -14.782 11.852 354 H ASN 48 HN ASN 48 -6.728 -13.116 12.277 355 HA ASN 48 HA ASN 48 -7.130 -11.130 10.114 356 HB2 ASN 48 2HB ASN 48 -6.528 -10.568 13.020 357 HB3 ASN 48 1HB ASN 48 -6.868 -9.381 11.764 358 HD21 ASN 48 1HD2 ASN 48 -8.908 -11.561 10.710 359 HD22 ASN 48 2HD2 ASN 48 -10.271 -11.276 11.680 360 H LEU 49 HN LEU 49 -5.428 -9.619 9.718 361 HA LEU 49 HA LEU 49 -2.722 -10.712 10.272 362 HB2 LEU 49 2HB LEU 49 -4.085 -10.486 7.801 363 HB3 LEU 49 1HB LEU 49 -2.853 -9.228 7.811 364 HG LEU 49 HG LEU 49 -2.278 -12.126 8.495 365 HD11 LEU 49 1HD1 LEU 49 -2.217 -12.603 6.297 366 HD12 LEU 49 2HD1 LEU 49 -1.121 -11.253 6.017 367 HD13 LEU 49 3HD1 LEU 49 -2.860 -11.001 5.943 368 HD21 LEU 49 1HD2 LEU 49 -0.154 -10.412 7.428 369 HD22 LEU 49 2HD2 LEU 49 -0.150 -11.436 8.859 370 HD23 LEU 49 3HD2 LEU 49 -0.816 -9.807 8.945 371 H GLU 50 HN GLU 50 -1.143 -9.215 10.774 372 HA GLU 50 HA GLU 50 -1.997 -6.389 10.895 373 HB2 GLU 50 2HB GLU 50 -1.747 -7.364 13.137 374 HB3 GLU 50 1HB GLU 50 -0.108 -7.878 12.733 375 HG2 GLU 50 2HG GLU 50 0.743 -5.801 13.035 376 HG3 GLU 50 1HG GLU 50 -0.606 -5.032 12.203 377 H ALA 51 HN ALA 51 -0.844 -5.034 9.683 378 HA ALA 51 HA ALA 51 1.833 -5.929 8.794 379 HB1 ALA 51 1HB ALA 51 -0.455 -4.750 7.314 380 HB2 ALA 51 2HB ALA 51 0.748 -5.931 6.790 381 HB3 ALA 51 3HB ALA 51 1.163 -4.218 6.853 382 H LYS 52 HN LYS 52 3.450 -4.703 9.476 383 HA LYS 52 HA LYS 52 2.882 -1.891 10.222 384 HB2 LYS 52 2HB LYS 52 4.950 -3.712 11.466 385 HB3 LYS 52 1HB LYS 52 4.519 -2.085 11.986 386 HG2 LYS 52 2HG LYS 52 2.132 -3.688 11.855 387 HG3 LYS 52 1HG LYS 52 3.344 -4.533 12.816 388 HD2 LYS 52 2HD LYS 52 3.693 -2.457 14.144 389 HD3 LYS 52 1HD LYS 52 2.407 -1.681 13.218 390 HE2 LYS 52 2HE LYS 52 1.582 -2.587 15.383 391 HE3 LYS 52 1HE LYS 52 0.795 -3.349 14.002 392 HZ1 LYS 52 1HZ LYS 52 2.027 -4.660 16.020 393 HZ2 LYS 52 2HZ LYS 52 3.221 -4.659 14.812 394 HZ3 LYS 52 3HZ LYS 52 1.687 -5.316 14.495 395 H VAL 53 HN VAL 53 3.908 -0.445 8.990 396 HA VAL 53 HA VAL 53 6.653 -0.952 8.173 397 HB VAL 53 HB VAL 53 5.289 -1.911 6.338 398 HG11 VAL 53 1HG1 VAL 53 3.792 -0.544 5.053 399 HG12 VAL 53 2HG1 VAL 53 4.261 0.904 5.944 400 HG13 VAL 53 3HG1 VAL 53 3.334 -0.363 6.747 401 HG21 VAL 53 1HG2 VAL 53 6.799 -1.136 4.833 402 HG22 VAL 53 2HG2 VAL 53 7.408 -0.123 6.141 403 HG23 VAL 53 3HG2 VAL 53 6.228 0.524 5.003 404 H THR 54 HN THR 54 7.744 0.928 7.610 405 HA THR 54 HA THR 54 6.331 3.422 8.287 406 HB THR 54 HB THR 54 9.280 2.883 8.604 407 HG1 THR 54 1HG THR 54 7.282 1.972 10.048 408 HG21 THR 54 1HG2 THR 54 9.200 4.921 9.984 409 HG22 THR 54 2HG2 THR 54 7.474 5.072 9.660 410 HG23 THR 54 3HG2 THR 54 8.637 5.246 8.346 411 H MET 55 HN MET 55 6.337 5.012 6.833 412 HA MET 55 HA MET 55 7.957 4.578 4.406 413 HB2 MET 55 2HB MET 55 5.924 6.562 4.051 414 HB3 MET 55 1HB MET 55 6.138 5.039 3.196 415 HG2 MET 55 2HG MET 55 5.051 3.934 5.252 416 HG3 MET 55 1HG MET 55 4.568 5.570 5.717 417 HE1 MET 55 1HE MET 55 2.343 6.816 2.957 418 HE2 MET 55 2HE MET 55 4.079 6.868 2.678 419 HE3 MET 55 3HE MET 55 3.451 7.160 4.294 420 H LEU 56 HN LEU 56 9.022 6.284 3.486 421 HA LEU 56 HA LEU 56 9.627 8.485 5.345 422 HB2 LEU 56 2HB LEU 56 11.590 7.216 4.585 423 HB3 LEU 56 1HB LEU 56 11.138 7.493 2.906 424 HG LEU 56 HG LEU 56 11.416 9.928 3.215 425 HD11 LEU 56 1HD1 LEU 56 11.802 9.049 6.051 426 HD12 LEU 56 2HD1 LEU 56 10.961 10.466 5.422 427 HD13 LEU 56 3HD1 LEU 56 12.723 10.440 5.479 428 HD21 LEU 56 1HD2 LEU 56 13.906 9.893 3.684 429 HD22 LEU 56 2HD2 LEU 56 13.372 8.742 2.460 430 HD23 LEU 56 3HD2 LEU 56 13.735 8.185 4.094 431 H ILE 57 HN ILE 57 7.763 9.686 4.881 432 HA ILE 57 HA ILE 57 7.270 10.495 2.134 433 HB ILE 57 HB ILE 57 5.803 10.912 4.738 434 HG12 ILE 57 2HG1 ILE 57 5.838 8.727 3.233 435 HG13 ILE 57 1HG1 ILE 57 4.332 9.300 3.943 436 HG21 ILE 57 1HG2 ILE 57 4.015 11.873 3.141 437 HG22 ILE 57 2HG2 ILE 57 5.355 12.132 2.020 438 HG23 ILE 57 3HG2 ILE 57 5.356 12.925 3.596 439 HD11 ILE 57 1HD1 ILE 57 3.561 10.194 1.905 440 HD12 ILE 57 2HD1 ILE 57 4.352 8.706 1.399 441 HD13 ILE 57 3HD1 ILE 57 5.174 10.245 1.203 442 H SER 58 HN SER 58 8.189 12.188 1.317 443 HA SER 58 HA SER 58 9.576 14.048 1.187 444 HB2 SER 58 2HB SER 58 7.089 14.836 2.654 445 HB3 SER 58 1HB SER 58 8.356 16.032 2.401 446 HG SER 58 HG SER 58 8.211 15.671 0.198 447 H GLY 59 HN GLY 59 10.830 12.456 2.931 448 HA2 GLY 59 2HA GLY 59 12.534 12.604 4.475 449 HA3 GLY 59 1HA GLY 59 12.205 14.326 4.602 450 H ARG 60 HN ARG 60 9.457 12.377 5.123 451 HA ARG 60 HA ARG 60 9.777 12.654 8.054 452 HB2 ARG 60 2HB ARG 60 7.157 12.646 6.551 453 HB3 ARG 60 1HB ARG 60 7.431 13.066 8.241 454 HG2 ARG 60 2HG ARG 60 8.522 14.589 5.854 455 HG3 ARG 60 1HG ARG 60 7.158 15.093 6.853 456 HD2 ARG 60 2HD ARG 60 8.913 14.777 8.818 457 HD3 ARG 60 1HD ARG 60 10.076 15.028 7.520 458 HE ARG 60 HE ARG 60 9.455 17.260 7.486 459 HH11 ARG 60 1HH1 ARG 60 8.212 19.043 8.144 460 HH12 ARG 60 2HH1 ARG 60 6.754 18.792 9.044 461 HH21 ARG 60 1HH2 ARG 60 7.045 15.337 9.059 462 HH22 ARG 60 2HH2 ARG 60 6.094 16.694 9.563 463 H CYS 61 HN CYS 61 9.788 10.812 9.157 464 HA CYS 61 HA CYS 61 9.231 8.310 7.806 465 HB2 CYS 61 2HB CYS 61 9.788 8.560 10.748 466 HB3 CYS 61 1HB CYS 61 10.233 7.262 9.640 467 H GLN 62 HN GLN 62 7.121 7.894 7.489 468 HA GLN 62 HA GLN 62 5.224 8.424 9.674 469 HB2 GLN 62 2HB GLN 62 4.960 8.069 6.713 470 HB3 GLN 62 1HB GLN 62 3.579 7.711 7.748 471 HG2 GLN 62 2HG GLN 62 5.120 10.309 7.912 472 HG3 GLN 62 1HG GLN 62 3.703 10.101 6.886 473 HE21 GLN 62 1HE2 GLN 62 1.930 8.686 8.433 474 HE22 GLN 62 2HE2 GLN 62 1.589 9.513 9.875 475 H GLU 63 HN GLU 63 4.960 6.781 11.037 476 HA GLU 63 HA GLU 63 5.467 4.040 10.294 477 HB2 GLU 63 2HB GLU 63 5.414 5.457 12.686 478 HB3 GLU 63 1HB GLU 63 3.977 4.436 12.767 479 HG2 GLU 63 2HG GLU 63 5.450 2.492 12.064 480 HG3 GLU 63 1HG GLU 63 6.836 3.556 12.308 481 H VAL 64 HN VAL 64 4.056 2.798 9.237 482 HA VAL 64 HA VAL 64 1.193 3.495 9.394 483 HB VAL 64 HB VAL 64 2.596 1.783 7.340 484 HG11 VAL 64 1HG1 VAL 64 0.169 3.118 6.516 485 HG12 VAL 64 2HG1 VAL 64 -0.128 2.178 7.979 486 HG13 VAL 64 3HG1 VAL 64 0.529 1.392 6.543 487 HG21 VAL 64 1HG2 VAL 64 2.157 3.905 5.916 488 HG22 VAL 64 2HG2 VAL 64 3.526 3.931 7.027 489 HG23 VAL 64 3HG2 VAL 64 2.022 4.743 7.462 490 H LYS 65 HN LYS 65 -0.254 2.053 10.151 491 HA LYS 65 HA LYS 65 0.633 -0.700 10.701 492 HB2 LYS 65 2HB LYS 65 0.743 0.213 12.847 493 HB3 LYS 65 1HB LYS 65 -0.577 1.343 12.546 494 HG2 LYS 65 2HG LYS 65 -2.217 -0.330 12.740 495 HG3 LYS 65 1HG LYS 65 -1.045 -1.629 12.517 496 HD2 LYS 65 2HD LYS 65 0.009 -0.990 14.693 497 HD3 LYS 65 1HD LYS 65 -1.281 0.196 14.924 498 HE2 LYS 65 2HE LYS 65 -2.602 -2.132 14.202 499 HE3 LYS 65 1HE LYS 65 -1.340 -2.683 15.300 500 HZ1 LYS 65 1HZ LYS 65 -3.702 -1.644 16.073 501 HZ2 LYS 65 2HZ LYS 65 -2.689 -0.282 16.154 502 HZ3 LYS 65 3HZ LYS 65 -2.307 -1.683 17.036 503 H ALA 66 HN ALA 66 -0.624 -1.989 9.598 504 HA ALA 66 HA ALA 66 -3.438 -1.212 9.134 505 HB1 ALA 66 1HB ALA 66 -2.572 -3.091 7.173 506 HB2 ALA 66 2HB ALA 66 -1.389 -1.787 7.246 507 HB3 ALA 66 3HB ALA 66 -3.086 -1.420 6.937 508 H VAL 67 HN VAL 67 -4.811 -2.483 10.166 509 HA VAL 67 HA VAL 67 -4.009 -5.241 10.798 510 HB VAL 67 HB VAL 67 -6.517 -4.144 11.922 511 HG11 VAL 67 1HG1 VAL 67 -5.493 -6.371 12.449 512 HG12 VAL 67 2HG1 VAL 67 -5.725 -5.354 13.872 513 HG13 VAL 67 3HG1 VAL 67 -4.119 -5.523 13.159 514 HG21 VAL 67 1HG2 VAL 67 -4.983 -3.031 13.730 515 HG22 VAL 67 2HG2 VAL 67 -5.341 -2.139 12.250 516 HG23 VAL 67 3HG2 VAL 67 -3.795 -2.968 12.430 517 H LEU 68 HN LEU 68 -4.616 -6.589 9.224 518 HA LEU 68 HA LEU 68 -6.945 -6.021 7.638 519 HB2 LEU 68 2HB LEU 68 -5.033 -8.368 7.613 520 HB3 LEU 68 1HB LEU 68 -6.215 -8.006 6.362 521 HG LEU 68 HG LEU 68 -3.907 -6.188 7.173 522 HD11 LEU 68 1HD1 LEU 68 -2.709 -7.014 5.389 523 HD12 LEU 68 2HD1 LEU 68 -4.157 -7.397 4.459 524 HD13 LEU 68 3HD1 LEU 68 -3.636 -8.465 5.763 525 HD21 LEU 68 1HD2 LEU 68 -5.281 -4.637 6.210 526 HD22 LEU 68 2HD2 LEU 68 -6.298 -5.866 5.457 527 HD23 LEU 68 3HD2 LEU 68 -4.782 -5.391 4.702 528 H GLU 69 HN GLU 69 -8.760 -6.301 8.963 529 HA GLU 69 HA GLU 69 -9.059 -8.739 10.515 530 HB2 GLU 69 2HB GLU 69 -11.018 -6.491 9.961 531 HB3 GLU 69 1HB GLU 69 -11.235 -7.781 11.143 532 HG2 GLU 69 2HG GLU 69 -8.694 -6.276 11.361 533 HG3 GLU 69 1HG GLU 69 -10.150 -5.361 11.744 534 H LYS 70 HN LYS 70 -10.089 -10.543 9.839 535 HA LYS 70 HA LYS 70 -10.769 -10.925 7.114 536 HB2 LYS 70 2HB LYS 70 -10.452 -12.541 9.378 537 HB3 LYS 70 1HB LYS 70 -12.119 -12.783 8.870 538 HG2 LYS 70 2HG LYS 70 -11.347 -13.233 6.563 539 HG3 LYS 70 1HG LYS 70 -9.677 -13.040 7.092 540 HD2 LYS 70 2HD LYS 70 -9.632 -15.180 7.773 541 HD3 LYS 70 1HD LYS 70 -10.975 -14.863 8.873 542 HE2 LYS 70 2HE LYS 70 -12.576 -15.244 7.039 543 HE3 LYS 70 1HE LYS 70 -11.238 -15.557 5.934 544 HZ1 LYS 70 1HZ LYS 70 -12.444 -17.503 7.162 545 HZ2 LYS 70 2HZ LYS 70 -11.385 -17.092 8.427 546 HZ3 LYS 70 3HZ LYS 70 -10.768 -17.547 6.910 547 H THR 71 HN THR 71 -12.672 -10.803 6.006 548 HA THR 71 HA THR 71 -15.032 -9.860 7.531 549 HB THR 71 HB THR 71 -15.785 -8.844 5.438 550 HG1 THR 71 1HG THR 71 -13.446 -10.091 4.477 551 HG21 THR 71 1HG2 THR 71 -13.074 -7.814 5.341 552 HG22 THR 71 2HG2 THR 71 -13.622 -8.028 7.001 553 HG23 THR 71 3HG2 THR 71 -14.548 -7.019 5.887 554 H ASP 72 HN ASP 72 -17.107 -10.382 6.116 555 HA ASP 72 HA ASP 72 -17.470 -13.179 6.244 556 HB2 ASP 72 2HB ASP 72 -19.076 -10.832 5.634 557 HB3 ASP 72 1HB ASP 72 -19.506 -12.208 4.619 558 H GLU 73 HN GLU 73 -15.584 -11.678 4.117 559 HA GLU 73 HA GLU 73 -16.177 -13.650 2.008 560 HB2 GLU 73 2HB GLU 73 -16.061 -10.714 1.768 561 HB3 GLU 73 1HB GLU 73 -15.172 -11.603 0.532 562 HG2 GLU 73 2HG GLU 73 -17.510 -11.206 -0.161 563 HG3 GLU 73 1HG GLU 73 -17.185 -12.928 0.026 564 HA PRO 74 HA PRO 74 -11.817 -14.427 2.306 565 HB2 PRO 74 2HB PRO 74 -11.286 -15.547 -0.101 566 HB3 PRO 74 1HB PRO 74 -12.275 -16.369 1.124 567 HG2 PRO 74 2HG PRO 74 -13.137 -14.848 -1.294 568 HG3 PRO 74 1HG PRO 74 -13.752 -16.379 -0.647 569 HD2 PRO 74 2HD PRO 74 -15.002 -13.972 -0.232 570 HD3 PRO 74 1HD PRO 74 -15.108 -15.341 0.897 571 H GLY 75 HN GLY 75 -9.871 -13.431 1.886 572 HA2 GLY 75 2HA GLY 75 -8.316 -12.048 0.861 573 HA3 GLY 75 1HA GLY 75 -9.384 -11.936 -0.524 574 H LYS 76 HN LYS 76 -11.570 -11.159 1.364 575 HA LYS 76 HA LYS 76 -11.140 -8.304 1.189 576 HB2 LYS 76 2HB LYS 76 -13.290 -9.210 0.497 577 HB3 LYS 76 1HB LYS 76 -13.548 -9.885 2.103 578 HG2 LYS 76 2HG LYS 76 -13.661 -7.696 3.095 579 HG3 LYS 76 1HG LYS 76 -13.101 -6.932 1.609 580 HD2 LYS 76 2HD LYS 76 -15.156 -7.680 0.456 581 HD3 LYS 76 1HD LYS 76 -15.715 -8.427 1.952 582 HE2 LYS 76 2HE LYS 76 -16.047 -6.373 3.014 583 HE3 LYS 76 1HE LYS 76 -14.946 -5.528 1.930 584 HZ1 LYS 76 1HZ LYS 76 -17.675 -5.668 1.705 585 HZ2 LYS 76 2HZ LYS 76 -17.098 -6.724 0.505 586 HZ3 LYS 76 3HZ LYS 76 -16.593 -5.102 0.528 587 H TYR 77 HN TYR 77 -10.026 -7.326 2.736 588 HA TYR 77 HA TYR 77 -10.614 -8.065 5.542 589 HB2 TYR 77 2HB TYR 77 -8.045 -7.037 4.340 590 HB3 TYR 77 1HB TYR 77 -8.342 -7.187 6.072 591 HD1 TYR 77 1HD TYR 77 -7.947 -9.040 2.907 592 HD2 TYR 77 2HD TYR 77 -8.393 -9.358 7.152 593 HE1 TYR 77 1HE TYR 77 -7.304 -11.424 2.798 594 HE2 TYR 77 2HE TYR 77 -7.743 -11.741 7.049 595 HH TYR 77 HH TYR 77 -7.545 -13.457 4.081 596 H THR 78 HN THR 78 -10.566 -6.404 7.109 597 HA THR 78 HA THR 78 -10.968 -3.702 6.010 598 HB THR 78 HB THR 78 -12.588 -3.611 8.147 599 HG1 THR 78 1HG THR 78 -12.954 -5.559 8.798 600 HG21 THR 78 1HG2 THR 78 -13.378 -2.886 6.056 601 HG22 THR 78 2HG2 THR 78 -14.430 -4.249 6.447 602 HG23 THR 78 3HG2 THR 78 -13.100 -4.461 5.306 603 H ALA 79 HN ALA 79 -10.401 -1.971 7.380 604 HA ALA 79 HA ALA 79 -8.316 -2.651 9.288 605 HB1 ALA 79 1HB ALA 79 -8.009 -0.842 7.587 606 HB2 ALA 79 2HB ALA 79 -7.777 -0.293 9.248 607 HB3 ALA 79 3HB ALA 79 -9.278 0.076 8.398 608 H ASP 80 HN ASP 80 -8.254 -1.643 11.378 609 HA ASP 80 HA ASP 80 -10.283 -2.210 13.087 610 HB2 ASP 80 2HB ASP 80 -7.844 -0.909 13.281 611 HB3 ASP 80 1HB ASP 80 -9.004 0.281 13.870 612 H GLY 81 HN GLY 81 -10.290 0.304 10.787 613 HA2 GLY 81 2HA GLY 81 -12.332 1.882 12.165 614 HA3 GLY 81 1HA GLY 81 -11.591 2.264 10.611 615 H GLY 82 HN GLY 82 -11.967 -0.059 9.216 616 HA2 GLY 82 2HA GLY 82 -13.649 -1.546 8.400 617 HA3 GLY 82 1HA GLY 82 -14.859 -0.614 9.277 618 H LYS 83 HN LYS 83 -12.942 1.676 7.984 619 HA LYS 83 HA LYS 83 -14.725 2.053 5.681 620 HB2 LYS 83 2HB LYS 83 -14.159 4.341 5.776 621 HB3 LYS 83 1HB LYS 83 -14.249 3.863 7.473 622 HG2 LYS 83 2HG LYS 83 -11.712 3.354 7.236 623 HG3 LYS 83 1HG LYS 83 -11.801 4.355 5.786 624 HD2 LYS 83 2HD LYS 83 -12.961 6.104 7.287 625 HD3 LYS 83 1HD LYS 83 -12.358 5.149 8.643 626 HE2 LYS 83 2HE LYS 83 -10.053 5.364 7.744 627 HE3 LYS 83 1HE LYS 83 -10.673 6.374 6.438 628 HZ1 LYS 83 1HZ LYS 83 -11.113 8.095 7.848 629 HZ2 LYS 83 2HZ LYS 83 -9.752 7.434 8.619 630 HZ3 LYS 83 3HZ LYS 83 -11.311 7.098 9.206 631 H HIS 84 HN HIS 84 -11.777 0.751 6.409 632 HA HIS 84 HA HIS 84 -10.642 1.333 3.754 633 HB2 HIS 84 2HB HIS 84 -9.483 1.301 6.398 634 HB3 HIS 84 1HB HIS 84 -8.720 0.069 5.394 635 HD1 HIS 84 1HD HIS 84 -8.670 3.636 6.064 636 HD2 HIS 84 2HD HIS 84 -7.803 1.217 2.785 637 HE1 HIS 84 1HE HIS 84 -7.281 5.047 4.479 638 H VAL 85 HN VAL 85 -10.856 -0.308 2.377 639 HA VAL 85 HA VAL 85 -11.186 -3.024 3.490 640 HB VAL 85 HB VAL 85 -11.990 -2.205 0.724 641 HG11 VAL 85 1HG1 VAL 85 -11.791 -4.621 1.440 642 HG12 VAL 85 2HG1 VAL 85 -13.393 -4.150 0.866 643 HG13 VAL 85 3HG1 VAL 85 -13.085 -4.306 2.597 644 HG21 VAL 85 1HG2 VAL 85 -14.340 -2.089 1.885 645 HG22 VAL 85 2HG2 VAL 85 -13.284 -0.680 1.954 646 HG23 VAL 85 3HG2 VAL 85 -13.404 -1.761 3.343 647 H ALA 86 HN ALA 86 -9.143 -3.808 3.490 648 HA ALA 86 HA ALA 86 -7.482 -3.476 1.145 649 HB1 ALA 86 1HB ALA 86 -5.877 -4.864 2.702 650 HB2 ALA 86 2HB ALA 86 -6.995 -4.300 3.950 651 HB3 ALA 86 3HB ALA 86 -6.130 -3.136 2.952 652 H TYR 87 HN TYR 87 -6.672 -5.085 -0.085 653 HA TYR 87 HA TYR 87 -7.863 -7.746 0.288 654 HB2 TYR 87 2HB TYR 87 -7.542 -6.189 -2.280 655 HB3 TYR 87 1HB TYR 87 -7.923 -7.907 -2.224 656 HD1 TYR 87 1HD TYR 87 -9.117 -4.535 -1.199 657 HD2 TYR 87 2HD TYR 87 -10.118 -8.677 -1.747 658 HE1 TYR 87 1HE TYR 87 -11.517 -3.996 -0.883 659 HE2 TYR 87 2HE TYR 87 -12.518 -8.137 -1.431 660 HH TYR 87 HH TYR 87 -14.024 -6.467 -1.296 661 H ILE 88 HN ILE 88 -6.467 -9.406 0.151 662 HA ILE 88 HA ILE 88 -3.677 -8.815 -0.616 663 HB ILE 88 HB ILE 88 -4.372 -11.231 0.985 664 HG12 ILE 88 2HG1 ILE 88 -4.388 -8.382 2.010 665 HG13 ILE 88 1HG1 ILE 88 -5.664 -9.592 2.174 666 HG21 ILE 88 1HG2 ILE 88 -2.139 -9.258 1.427 667 HG22 ILE 88 2HG2 ILE 88 -2.046 -10.432 0.114 668 HG23 ILE 88 3HG2 ILE 88 -2.176 -10.986 1.782 669 HD11 ILE 88 1HD1 ILE 88 -3.101 -9.325 3.670 670 HD12 ILE 88 2HD1 ILE 88 -3.655 -10.963 3.315 671 HD13 ILE 88 3HD1 ILE 88 -4.684 -9.867 4.236 672 H ILE 89 HN ILE 89 -3.080 -9.654 -2.500 673 HA ILE 89 HA ILE 89 -4.339 -12.180 -3.359 674 HB ILE 89 HB ILE 89 -3.095 -10.656 -5.501 675 HG12 ILE 89 2HG1 ILE 89 -3.888 -8.737 -4.089 676 HG13 ILE 89 1HG1 ILE 89 -4.708 -8.845 -5.641 677 HG21 ILE 89 1HG2 ILE 89 -5.373 -11.030 -6.517 678 HG22 ILE 89 2HG2 ILE 89 -5.859 -11.803 -5.014 679 HG23 ILE 89 3HG2 ILE 89 -4.561 -12.501 -5.984 680 HD11 ILE 89 1HD1 ILE 89 -6.707 -9.230 -4.681 681 HD12 ILE 89 2HD1 ILE 89 -5.953 -8.698 -3.178 682 HD13 ILE 89 3HD1 ILE 89 -6.036 -10.416 -3.562 683 H ARG 90 HN ARG 90 -3.017 -13.678 -4.394 684 HA ARG 90 HA ARG 90 -0.184 -13.473 -3.644 685 HB2 ARG 90 2HB ARG 90 -0.207 -15.952 -4.278 686 HB3 ARG 90 1HB ARG 90 -1.135 -15.499 -2.848 687 HG2 ARG 90 2HG ARG 90 -3.076 -16.151 -3.797 688 HG3 ARG 90 1HG ARG 90 -2.726 -15.269 -5.283 689 HD2 ARG 90 2HD ARG 90 -2.900 -17.671 -5.745 690 HD3 ARG 90 1HD ARG 90 -1.253 -17.111 -6.024 691 HE ARG 90 HE ARG 90 -0.553 -18.427 -4.231 692 HH11 ARG 90 1HH1 ARG 90 -0.907 -19.998 -2.630 693 HH12 ARG 90 2HH1 ARG 90 -2.525 -20.366 -2.130 694 HH21 ARG 90 1HH2 ARG 90 -3.997 -18.089 -4.290 695 HH22 ARG 90 2HH2 ARG 90 -4.273 -19.285 -3.069 696 H SER 91 HN SER 91 0.871 -12.369 -5.246 697 HA SER 91 HA SER 91 0.326 -12.132 -7.895 698 HB2 SER 91 2HB SER 91 2.407 -11.364 -6.385 699 HB3 SER 91 1HB SER 91 3.173 -12.702 -7.237 700 HG SER 91 HG SER 91 3.365 -11.308 -8.797 701 H HIS 92 HN HIS 92 1.320 -13.224 -9.794 702 HA HIS 92 HA HIS 92 0.892 -16.081 -9.547 703 HB2 HIS 92 2HB HIS 92 0.824 -16.147 -11.854 704 HB3 HIS 92 1HB HIS 92 0.363 -14.467 -11.576 705 HD1 HIS 92 1HD HIS 92 2.085 -12.641 -12.131 706 HD2 HIS 92 2HD HIS 92 3.460 -16.498 -12.895 707 HE1 HIS 92 1HE HIS 92 4.212 -12.391 -13.463 708 H VAL 93 HN VAL 93 3.416 -14.087 -8.871 709 HA VAL 93 HA VAL 93 5.471 -16.059 -9.629 710 HB VAL 93 HB VAL 93 5.820 -13.205 -8.677 711 HG11 VAL 93 1HG1 VAL 93 8.110 -13.646 -9.803 712 HG12 VAL 93 2HG1 VAL 93 7.692 -15.353 -9.668 713 HG13 VAL 93 3HG1 VAL 93 7.827 -14.361 -8.217 714 HG21 VAL 93 1HG2 VAL 93 6.534 -12.970 -11.170 715 HG22 VAL 93 2HG2 VAL 93 4.811 -12.998 -10.796 716 HG23 VAL 93 3HG2 VAL 93 5.603 -14.447 -11.416 717 H LYS 94 HN LYS 94 7.020 -16.697 -8.038 718 HA LYS 94 HA LYS 94 5.855 -17.139 -5.453 719 HB2 LYS 94 2HB LYS 94 7.431 -18.691 -6.784 720 HB3 LYS 94 1HB LYS 94 8.731 -17.680 -6.154 721 HG2 LYS 94 2HG LYS 94 8.629 -19.223 -4.446 722 HG3 LYS 94 1HG LYS 94 7.410 -18.092 -3.860 723 HD2 LYS 94 2HD LYS 94 5.661 -19.446 -5.033 724 HD3 LYS 94 1HD LYS 94 6.907 -20.621 -5.450 725 HE2 LYS 94 2HE LYS 94 6.284 -19.773 -2.610 726 HE3 LYS 94 1HE LYS 94 5.603 -21.208 -3.375 727 HZ1 LYS 94 1HZ LYS 94 8.365 -20.669 -2.559 728 HZ2 LYS 94 2HZ LYS 94 8.102 -21.674 -3.903 729 HZ3 LYS 94 3HZ LYS 94 7.446 -22.084 -2.390 730 H ASP 95 HN ASP 95 6.525 -16.397 -3.467 731 HA ASP 95 HA ASP 95 7.360 -14.932 -1.915 732 HB2 ASP 95 2HB ASP 95 9.523 -14.141 -3.839 733 HB3 ASP 95 1HB ASP 95 9.597 -14.293 -2.083 734 H HIS 96 HN HIS 96 5.500 -14.026 -4.107 735 HA HIS 96 HA HIS 96 5.932 -11.138 -3.695 736 HB2 HIS 96 2HB HIS 96 5.497 -12.559 -6.306 737 HB3 HIS 96 1HB HIS 96 4.978 -10.886 -6.094 738 HD1 HIS 96 1HD HIS 96 8.115 -13.019 -5.776 739 HD2 HIS 96 2HD HIS 96 7.037 -9.024 -6.286 740 HE1 HIS 96 1HE HIS 96 10.266 -11.741 -6.174 741 H TYR 97 HN TYR 97 4.097 -9.954 -3.338 742 HA TYR 97 HA TYR 97 1.490 -11.275 -3.669 743 HB2 TYR 97 2HB TYR 97 2.750 -10.481 -1.103 744 HB3 TYR 97 1HB TYR 97 1.036 -10.105 -1.301 745 HD1 TYR 97 1HD TYR 97 3.530 -12.842 -1.595 746 HD2 TYR 97 2HD TYR 97 -0.606 -11.803 -1.129 747 HE1 TYR 97 1HE TYR 97 2.977 -15.230 -1.200 748 HE2 TYR 97 2HE TYR 97 -1.167 -14.183 -0.729 749 HH TYR 97 HH TYR 97 0.424 -16.308 0.228 750 H ILE 98 HN ILE 98 -0.153 -9.950 -4.168 751 HA ILE 98 HA ILE 98 0.498 -7.143 -4.675 752 HB ILE 98 HB ILE 98 -2.013 -8.611 -5.469 753 HG12 ILE 98 2HG1 ILE 98 -0.192 -9.981 -6.281 754 HG13 ILE 98 1HG1 ILE 98 -0.827 -9.077 -7.650 755 HG21 ILE 98 1HG2 ILE 98 -1.935 -6.945 -7.335 756 HG22 ILE 98 2HG2 ILE 98 -0.531 -6.212 -6.561 757 HG23 ILE 98 3HG2 ILE 98 -2.091 -6.208 -5.739 758 HD11 ILE 98 1HD1 ILE 98 1.466 -8.731 -7.897 759 HD12 ILE 98 2HD1 ILE 98 1.744 -8.712 -6.158 760 HD13 ILE 98 3HD1 ILE 98 1.019 -7.309 -6.949 761 H PHE 99 HN PHE 99 -0.318 -5.564 -3.397 762 HA PHE 99 HA PHE 99 -2.479 -6.333 -1.539 763 HB2 PHE 99 2HB PHE 99 -0.266 -5.922 -0.461 764 HB3 PHE 99 1HB PHE 99 -0.293 -4.289 -1.116 765 HD1 PHE 99 1HD PHE 99 -1.455 -6.467 1.519 766 HD2 PHE 99 2HD PHE 99 -2.193 -2.745 -0.501 767 HE1 PHE 99 1HE PHE 99 -2.834 -5.707 3.445 768 HE2 PHE 99 2HE PHE 99 -3.566 -1.982 1.427 769 HZ PHE 99 HZ PHE 99 -3.878 -3.457 3.396 770 H TYR 100 HN TYR 100 -4.294 -5.162 -1.667 771 HA TYR 100 HA TYR 100 -4.210 -2.563 -3.086 772 HB2 TYR 100 2HB TYR 100 -5.024 -4.100 -4.715 773 HB3 TYR 100 1HB TYR 100 -6.059 -4.907 -3.544 774 HD1 TYR 100 1HD TYR 100 -5.471 -1.503 -4.987 775 HD2 TYR 100 2HD TYR 100 -8.323 -4.327 -3.477 776 HE1 TYR 100 1HE TYR 100 -7.312 0.041 -5.593 777 HE2 TYR 100 2HE TYR 100 -10.167 -2.784 -4.076 778 HH TYR 100 HH TYR 100 -9.606 0.480 -5.004 779 H SER 101 HN SER 101 -5.862 -1.087 -2.470 780 HA SER 101 HA SER 101 -7.683 -1.805 -0.348 781 HB2 SER 101 2HB SER 101 -6.315 -1.318 1.360 782 HB3 SER 101 1HB SER 101 -5.091 -0.680 0.265 783 HG SER 101 HG SER 101 -6.339 1.256 0.178 784 H GLU 102 HN GLU 102 -9.224 -0.234 0.150 785 HA GLU 102 HA GLU 102 -9.167 2.249 -1.440 786 HB2 GLU 102 2HB GLU 102 -11.837 1.282 -1.500 787 HB3 GLU 102 1HB GLU 102 -10.745 1.544 -2.860 788 HG2 GLU 102 2HG GLU 102 -9.787 -0.700 -2.525 789 HG3 GLU 102 1HG GLU 102 -10.877 -0.967 -1.169 790 H GLY 103 HN GLY 103 -8.997 3.542 0.295 791 HA2 GLY 103 2HA GLY 103 -11.270 3.533 2.205 792 HA3 GLY 103 1HA GLY 103 -9.615 3.830 2.731 793 H GLU 104 HN GLU 104 -9.867 5.914 3.440 794 HA GLU 104 HA GLU 104 -9.927 7.941 1.400 795 HB2 GLU 104 2HB GLU 104 -11.815 9.191 2.223 796 HB3 GLU 104 1HB GLU 104 -12.349 7.555 1.833 797 HG2 GLU 104 2HG GLU 104 -13.215 7.568 3.923 798 HG3 GLU 104 1HG GLU 104 -11.557 7.263 4.428 799 H LEU 105 HN LEU 105 -9.443 10.066 2.237 800 HA LEU 105 HA LEU 105 -8.166 9.993 4.905 801 HB2 LEU 105 2HB LEU 105 -6.513 9.927 2.990 802 HB3 LEU 105 1HB LEU 105 -7.102 11.522 2.523 803 HG LEU 105 HG LEU 105 -6.637 11.738 5.271 804 HD11 LEU 105 1HD1 LEU 105 -4.362 10.258 3.911 805 HD12 LEU 105 2HD1 LEU 105 -5.391 9.606 5.187 806 HD13 LEU 105 3HD1 LEU 105 -4.312 10.959 5.529 807 HD21 LEU 105 1HD2 LEU 105 -4.852 12.503 2.936 808 HD22 LEU 105 2HD2 LEU 105 -4.787 13.211 4.550 809 HD23 LEU 105 3HD2 LEU 105 -6.212 13.448 3.538 810 H HIS 106 HN HIS 106 -9.707 11.054 6.014 811 HA HIS 106 HA HIS 106 -10.945 12.817 6.777 812 HB2 HIS 106 2HB HIS 106 -9.309 14.577 4.955 813 HB3 HIS 106 1HB HIS 106 -10.084 15.010 6.479 814 HD1 HIS 106 1HD HIS 106 -8.819 11.858 7.250 815 HD2 HIS 106 2HD HIS 106 -6.959 15.542 6.652 816 HE1 HIS 106 1HE HIS 106 -6.557 11.712 8.381 817 H GLY 107 HN GLY 107 -12.015 11.317 4.726 818 HA2 GLY 107 2HA GLY 107 -13.968 11.466 3.478 819 HA3 GLY 107 1HA GLY 107 -13.892 13.221 3.617 820 H LYS 108 HN LYS 108 -11.096 11.458 2.568 821 HA LYS 108 HA LYS 108 -11.574 12.368 -0.211 822 HB2 LYS 108 2HB LYS 108 -8.909 12.207 1.204 823 HB3 LYS 108 1HB LYS 108 -9.203 12.817 -0.420 824 HG2 LYS 108 2HG LYS 108 -10.618 14.054 1.939 825 HG3 LYS 108 1HG LYS 108 -8.967 14.525 1.538 826 HD2 LYS 108 2HD LYS 108 -9.702 15.076 -0.770 827 HD3 LYS 108 1HD LYS 108 -11.356 14.660 -0.325 828 HE2 LYS 108 2HE LYS 108 -11.680 16.617 0.767 829 HE3 LYS 108 1HE LYS 108 -10.090 16.560 1.527 830 HZ1 LYS 108 1HZ LYS 108 -9.266 17.906 -0.012 831 HZ2 LYS 108 2HZ LYS 108 -10.853 18.170 -0.556 832 HZ3 LYS 108 3HZ LYS 108 -9.892 16.971 -1.281 833 HA PRO 109 HA PRO 109 -11.436 7.736 -0.341 834 HB2 PRO 109 2HB PRO 109 -11.823 8.558 -3.198 835 HB3 PRO 109 1HB PRO 109 -12.569 7.219 -2.303 836 HG2 PRO 109 2HG PRO 109 -13.908 9.458 -2.754 837 HG3 PRO 109 1HG PRO 109 -14.054 8.601 -1.211 838 HD2 PRO 109 2HD PRO 109 -12.650 11.152 -1.819 839 HD3 PRO 109 1HD PRO 109 -13.386 10.608 -0.294 840 H VAL 110 HN VAL 110 -9.573 6.674 -0.364 841 HA VAL 110 HA VAL 110 -7.552 7.391 -2.386 842 HB VAL 110 HB VAL 110 -6.512 8.353 -0.555 843 HG11 VAL 110 1HG1 VAL 110 -7.620 8.074 1.404 844 HG12 VAL 110 2HG1 VAL 110 -6.554 6.692 1.639 845 HG13 VAL 110 3HG1 VAL 110 -8.166 6.454 0.969 846 HG21 VAL 110 1HG2 VAL 110 -5.243 6.349 -1.593 847 HG22 VAL 110 2HG2 VAL 110 -5.628 5.511 -0.087 848 HG23 VAL 110 3HG2 VAL 110 -4.660 6.983 -0.055 849 H ARG 111 HN ARG 111 -6.907 5.726 -3.527 850 HA ARG 111 HA ARG 111 -6.925 3.059 -2.337 851 HB2 ARG 111 2HB ARG 111 -8.203 2.076 -4.136 852 HB3 ARG 111 1HB ARG 111 -9.139 3.407 -3.457 853 HG2 ARG 111 2HG ARG 111 -8.189 4.890 -5.273 854 HG3 ARG 111 1HG ARG 111 -7.500 3.444 -6.007 855 HD2 ARG 111 2HD ARG 111 -10.440 3.600 -5.353 856 HD3 ARG 111 1HD ARG 111 -9.807 4.242 -6.863 857 HE ARG 111 HE ARG 111 -9.987 1.432 -6.110 858 HH11 ARG 111 1HH1 ARG 111 -9.536 -0.019 -7.798 859 HH12 ARG 111 2HH1 ARG 111 -8.811 0.561 -9.261 860 HH21 ARG 111 1HH2 ARG 111 -8.658 3.855 -8.196 861 HH22 ARG 111 2HH2 ARG 111 -8.314 2.752 -9.486 862 H GLY 112 HN GLY 112 -5.400 1.659 -3.190 863 HA2 GLY 112 2HA GLY 112 -4.054 2.250 -5.666 864 HA3 GLY 112 1HA GLY 112 -3.077 2.629 -4.258 865 H VAL 113 HN VAL 113 -2.103 0.857 -5.921 866 HA VAL 113 HA VAL 113 -2.522 -1.783 -4.664 867 HB VAL 113 HB VAL 113 -1.175 -1.385 -7.326 868 HG11 VAL 113 1HG1 VAL 113 -1.573 -3.657 -7.608 869 HG12 VAL 113 2HG1 VAL 113 -2.987 -3.638 -6.551 870 HG13 VAL 113 3HG1 VAL 113 -1.369 -3.561 -5.854 871 HG21 VAL 113 1HG2 VAL 113 -3.714 -2.111 -8.035 872 HG22 VAL 113 2HG2 VAL 113 -3.101 -0.460 -8.114 873 HG23 VAL 113 3HG2 VAL 113 -4.040 -0.985 -6.720 874 H LYS 114 HN LYS 114 -0.723 -2.769 -3.794 875 HA LYS 114 HA LYS 114 1.891 -1.464 -4.278 876 HB2 LYS 114 2HB LYS 114 1.242 -2.636 -1.591 877 HB3 LYS 114 1HB LYS 114 2.463 -1.454 -2.024 878 HG2 LYS 114 2HG LYS 114 -0.475 -0.798 -2.277 879 HG3 LYS 114 1HG LYS 114 0.386 -0.600 -0.758 880 HD2 LYS 114 2HD LYS 114 2.045 0.846 -1.906 881 HD3 LYS 114 1HD LYS 114 1.112 0.694 -3.394 882 HE2 LYS 114 2HE LYS 114 -0.184 2.399 -2.724 883 HE3 LYS 114 1HE LYS 114 -0.723 1.416 -1.365 884 HZ1 LYS 114 1HZ LYS 114 0.215 3.091 -0.209 885 HZ2 LYS 114 2HZ LYS 114 1.285 3.520 -1.456 886 HZ3 LYS 114 3HZ LYS 114 1.629 2.189 -0.456 887 H LEU 115 HN LEU 115 3.547 -2.818 -4.719 888 HA LEU 115 HA LEU 115 2.984 -5.710 -4.743 889 HB2 LEU 115 2HB LEU 115 3.727 -4.819 -6.891 890 HB3 LEU 115 1HB LEU 115 5.099 -4.029 -6.131 891 HG LEU 115 HG LEU 115 6.104 -6.175 -5.583 892 HD11 LEU 115 1HD1 LEU 115 3.439 -7.201 -6.496 893 HD12 LEU 115 2HD1 LEU 115 4.346 -7.620 -5.043 894 HD13 LEU 115 3HD1 LEU 115 4.860 -8.236 -6.614 895 HD21 LEU 115 1HD2 LEU 115 6.239 -7.175 -7.952 896 HD22 LEU 115 2HD2 LEU 115 6.686 -5.474 -7.786 897 HD23 LEU 115 3HD2 LEU 115 5.102 -5.908 -8.425 898 H VAL 116 HN VAL 116 3.878 -6.929 -3.201 899 HA VAL 116 HA VAL 116 6.310 -5.902 -1.929 900 HB VAL 116 HB VAL 116 5.517 -6.161 0.178 901 HG11 VAL 116 1HG1 VAL 116 3.940 -4.642 -1.025 902 HG12 VAL 116 2HG1 VAL 116 3.170 -5.484 0.315 903 HG13 VAL 116 3HG1 VAL 116 2.888 -6.021 -1.337 904 HG21 VAL 116 1HG2 VAL 116 3.611 -7.794 0.689 905 HG22 VAL 116 2HG2 VAL 116 5.154 -8.503 0.231 906 HG23 VAL 116 3HG2 VAL 116 3.847 -8.416 -0.945 907 H GLY 117 HN GLY 117 7.938 -7.274 -1.576 908 HA2 GLY 117 2HA GLY 117 7.480 -10.124 -2.228 909 HA3 GLY 117 1HA GLY 117 8.822 -9.233 -2.934 910 H ARG 118 HN ARG 118 8.604 -11.597 -1.041 911 HA ARG 118 HA ARG 118 9.640 -10.764 1.481 912 HB2 ARG 118 2HB ARG 118 8.468 -12.908 1.175 913 HB3 ARG 118 1HB ARG 118 9.776 -13.472 0.134 914 HG2 ARG 118 2HG ARG 118 11.322 -13.551 1.906 915 HG3 ARG 118 1HG ARG 118 10.356 -12.475 2.917 916 HD2 ARG 118 2HD ARG 118 8.652 -14.205 3.189 917 HD3 ARG 118 1HD ARG 118 9.533 -15.276 2.102 918 HE ARG 118 HE ARG 118 11.131 -14.418 4.336 919 HH11 ARG 118 1HH1 ARG 118 11.636 -16.011 5.873 920 HH12 ARG 118 2HH1 ARG 118 10.740 -17.493 5.903 921 HH21 ARG 118 1HH2 ARG 118 8.692 -16.616 3.246 922 HH22 ARG 118 2HH2 ARG 118 9.073 -17.835 4.415 923 H ASP 119 HN ASP 119 11.040 -11.174 -1.619 924 HA ASP 119 HA ASP 119 13.746 -11.139 -0.434 925 HB2 ASP 119 2HB ASP 119 12.596 -12.700 -2.602 926 HB3 ASP 119 1HB ASP 119 14.041 -11.827 -3.109 927 HA PRO 120 HA PRO 120 14.206 -7.162 -2.359 928 HB2 PRO 120 2HB PRO 120 16.902 -7.013 -2.672 929 HB3 PRO 120 1HB PRO 120 16.120 -6.920 -1.081 930 HG2 PRO 120 2HG PRO 120 17.476 -9.228 -2.391 931 HG3 PRO 120 1HG PRO 120 17.538 -8.692 -0.703 932 HD2 PRO 120 2HD PRO 120 15.966 -10.775 -1.557 933 HD3 PRO 120 1HD PRO 120 15.571 -9.761 -0.150 934 H LYS 121 HN LYS 121 15.375 -10.038 -3.896 935 HA LYS 121 HA LYS 121 16.368 -9.087 -6.317 936 HB2 LYS 121 2HB LYS 121 15.030 -11.613 -5.448 937 HB3 LYS 121 1HB LYS 121 15.259 -11.338 -7.176 938 HG2 LYS 121 2HG LYS 121 17.668 -10.970 -6.809 939 HG3 LYS 121 1HG LYS 121 17.450 -11.221 -5.077 940 HD2 LYS 121 2HD LYS 121 16.272 -13.474 -6.114 941 HD3 LYS 121 1HD LYS 121 17.583 -13.197 -7.260 942 HE2 LYS 121 2HE LYS 121 18.438 -14.590 -5.474 943 HE3 LYS 121 1HE LYS 121 19.153 -12.986 -5.304 944 HZ1 LYS 121 1HZ LYS 121 16.634 -13.542 -3.916 945 HZ2 LYS 121 2HZ LYS 121 17.914 -12.519 -3.469 946 HZ3 LYS 121 3HZ LYS 121 18.061 -14.201 -3.277 947 H ASN 122 HN ASN 122 15.495 -8.151 -8.056 948 HA ASN 122 HA ASN 122 12.666 -7.489 -8.019 949 HB2 ASN 122 2HB ASN 122 15.079 -6.440 -9.259 950 HB3 ASN 122 1HB ASN 122 13.746 -6.550 -10.406 951 HD21 ASN 122 1HD2 ASN 122 14.412 -5.384 -7.056 952 HD22 ASN 122 2HD2 ASN 122 13.329 -4.080 -7.147 953 H ASN 123 HN ASN 123 11.146 -8.629 -9.020 954 HA ASN 123 HA ASN 123 11.957 -10.505 -11.159 955 HB2 ASN 123 2HB ASN 123 10.026 -10.676 -8.925 956 HB3 ASN 123 1HB ASN 123 9.470 -11.327 -10.466 957 HD21 ASN 123 1HD2 ASN 123 10.642 -12.531 -7.760 958 HD22 ASN 123 2HD2 ASN 123 11.722 -13.706 -8.340 959 H LEU 124 HN LEU 124 11.810 -9.069 -12.871 960 HA LEU 124 HA LEU 124 9.951 -7.157 -13.437 961 HB2 LEU 124 2HB LEU 124 10.382 -7.607 -15.829 962 HB3 LEU 124 1HB LEU 124 11.875 -7.612 -14.889 963 HG LEU 124 HG LEU 124 10.954 -10.250 -14.746 964 HD11 LEU 124 1HD1 LEU 124 10.812 -9.287 -17.615 965 HD12 LEU 124 2HD1 LEU 124 9.386 -9.596 -16.624 966 HD13 LEU 124 3HD1 LEU 124 10.490 -10.914 -17.016 967 HD21 LEU 124 1HD2 LEU 124 13.025 -8.929 -16.526 968 HD22 LEU 124 2HD2 LEU 124 12.908 -10.670 -16.274 969 HD23 LEU 124 3HD2 LEU 124 13.290 -9.607 -14.921 970 H GLU 125 HN GLU 125 9.530 -10.599 -13.459 971 HA GLU 125 HA GLU 125 7.099 -10.638 -14.958 972 HB2 GLU 125 2HB GLU 125 8.592 -12.549 -13.213 973 HB3 GLU 125 1HB GLU 125 6.891 -12.882 -13.541 974 HG2 GLU 125 2HG GLU 125 7.254 -12.978 -15.889 975 HG3 GLU 125 1HG GLU 125 8.846 -12.234 -15.750 976 H ALA 126 HN ALA 126 7.944 -10.349 -11.558 977 HA ALA 126 HA ALA 126 5.264 -10.498 -10.590 978 HB1 ALA 126 1HB ALA 126 7.515 -10.792 -9.293 979 HB2 ALA 126 2HB ALA 126 6.156 -10.016 -8.481 980 HB3 ALA 126 3HB ALA 126 7.459 -9.036 -9.153 981 H LEU 127 HN LEU 127 7.452 -7.902 -11.578 982 HA LEU 127 HA LEU 127 5.802 -5.773 -10.737 983 HB2 LEU 127 2HB LEU 127 8.224 -6.118 -12.285 984 HB3 LEU 127 1HB LEU 127 7.169 -4.932 -13.049 985 HG LEU 127 HG LEU 127 7.829 -4.852 -10.098 986 HD11 LEU 127 1HD1 LEU 127 9.939 -4.346 -10.770 987 HD12 LEU 127 2HD1 LEU 127 9.240 -2.800 -11.245 988 HD13 LEU 127 3HD1 LEU 127 9.441 -4.079 -12.441 989 HD21 LEU 127 1HD2 LEU 127 5.883 -3.568 -11.521 990 HD22 LEU 127 2HD2 LEU 127 7.215 -2.425 -11.683 991 HD23 LEU 127 3HD2 LEU 127 6.647 -2.894 -10.083 992 H GLU 128 HN GLU 128 5.962 -7.658 -13.737 993 HA GLU 128 HA GLU 128 4.067 -6.070 -15.142 994 HB2 GLU 128 2HB GLU 128 5.670 -7.825 -16.105 995 HB3 GLU 128 1HB GLU 128 4.511 -9.032 -15.543 996 HG2 GLU 128 2HG GLU 128 3.471 -8.709 -17.527 997 HG3 GLU 128 1HG GLU 128 2.888 -7.200 -16.824 998 H ASP 129 HN ASP 129 3.828 -8.999 -13.154 999 HA ASP 129 HA ASP 129 1.070 -9.440 -13.475 1000 HB2 ASP 129 2HB ASP 129 2.747 -10.977 -12.327 1001 HB3 ASP 129 1HB ASP 129 2.607 -9.928 -10.918 1002 H PHE 130 HN PHE 130 2.895 -7.473 -11.182 1003 HA PHE 130 HA PHE 130 0.664 -6.531 -9.717 1004 HB2 PHE 130 2HB PHE 130 2.769 -6.225 -8.709 1005 HB3 PHE 130 1HB PHE 130 3.477 -5.562 -10.181 1006 HD1 PHE 130 1HD PHE 130 1.232 -4.910 -7.352 1007 HD2 PHE 130 2HD PHE 130 3.152 -3.237 -10.802 1008 HE1 PHE 130 1HE PHE 130 0.643 -2.661 -6.586 1009 HE2 PHE 130 2HE PHE 130 2.553 -0.957 -10.028 1010 HZ PHE 130 HZ PHE 130 1.292 -0.663 -7.909 1011 H GLU 131 HN GLU 131 2.505 -5.274 -12.462 1012 HA GLU 131 HA GLU 131 1.045 -2.894 -12.838 1013 HB2 GLU 131 2HB GLU 131 3.291 -3.647 -13.916 1014 HB3 GLU 131 1HB GLU 131 2.267 -4.421 -15.125 1015 HG2 GLU 131 2HG GLU 131 2.500 -2.337 -16.095 1016 HG3 GLU 131 1HG GLU 131 1.066 -2.048 -15.112 1017 H LYS 132 HN LYS 132 0.208 -6.148 -13.240 1018 HA LYS 132 HA LYS 132 -1.799 -5.640 -15.287 1019 HB2 LYS 132 2HB LYS 132 -0.457 -7.922 -14.521 1020 HB3 LYS 132 1HB LYS 132 -1.997 -8.112 -13.686 1021 HG2 LYS 132 2HG LYS 132 -2.450 -9.093 -15.756 1022 HG3 LYS 132 1HG LYS 132 -3.035 -7.450 -16.006 1023 HD2 LYS 132 2HD LYS 132 -0.874 -6.842 -17.051 1024 HD3 LYS 132 1HD LYS 132 -0.298 -8.491 -16.804 1025 HE2 LYS 132 2HE LYS 132 -2.676 -8.946 -18.079 1026 HE3 LYS 132 1HE LYS 132 -2.167 -7.434 -18.830 1027 HZ1 LYS 132 1HZ LYS 132 -1.115 -8.985 -20.129 1028 HZ2 LYS 132 2HZ LYS 132 -0.835 -10.055 -18.838 1029 HZ3 LYS 132 3HZ LYS 132 0.101 -8.644 -18.996 1030 H ALA 133 HN ALA 133 -1.482 -6.276 -11.850 1031 HA ALA 133 HA ALA 133 -4.234 -6.179 -11.214 1032 HB1 ALA 133 1HB ALA 133 -2.430 -7.001 -9.670 1033 HB2 ALA 133 2HB ALA 133 -3.541 -5.859 -8.913 1034 HB3 ALA 133 3HB ALA 133 -1.942 -5.322 -9.429 1035 H ALA 134 HN ALA 134 -1.740 -3.638 -11.163 1036 HA ALA 134 HA ALA 134 -3.418 -1.555 -10.358 1037 HB1 ALA 134 1HB ALA 134 -1.434 -0.492 -10.475 1038 HB2 ALA 134 2HB ALA 134 -1.532 -0.556 -12.235 1039 HB3 ALA 134 3HB ALA 134 -0.741 -1.856 -11.350 1040 H GLY 135 HN GLY 135 -2.535 -2.822 -13.554 1041 HA2 GLY 135 2HA GLY 135 -4.054 -1.041 -15.078 1042 HA3 GLY 135 1HA GLY 135 -3.676 -2.696 -15.559 1043 H ALA 136 HN ALA 136 -4.891 -4.248 -13.835 1044 HA ALA 136 HA ALA 136 -7.561 -4.328 -14.591 1045 HB1 ALA 136 1HB ALA 136 -6.339 -6.274 -13.696 1046 HB2 ALA 136 2HB ALA 136 -7.842 -6.002 -12.814 1047 HB3 ALA 136 3HB ALA 136 -6.304 -5.513 -12.105 1048 H ARG 137 HN ARG 137 -6.019 -2.355 -12.243 1049 HA ARG 137 HA ARG 137 -8.636 -1.670 -11.053 1050 HB2 ARG 137 2HB ARG 137 -5.831 -1.361 -9.962 1051 HB3 ARG 137 1HB ARG 137 -7.269 -0.672 -9.205 1052 HG2 ARG 137 2HG ARG 137 -8.266 -2.954 -9.096 1053 HG3 ARG 137 1HG ARG 137 -6.770 -3.612 -9.754 1054 HD2 ARG 137 2HD ARG 137 -5.745 -3.522 -7.749 1055 HD3 ARG 137 1HD ARG 137 -6.267 -1.862 -7.478 1056 HE ARG 137 HE ARG 137 -7.827 -2.763 -6.035 1057 HH11 ARG 137 1HH1 ARG 137 -9.320 -4.323 -5.319 1058 HH12 ARG 137 2HH1 ARG 137 -9.520 -5.794 -6.210 1059 HH21 ARG 137 1HH2 ARG 137 -7.172 -4.968 -8.622 1060 HH22 ARG 137 2HH2 ARG 137 -8.306 -6.159 -8.079 1061 H GLY 138 HN GLY 138 -6.600 -0.759 -13.415 1062 HA2 GLY 138 2HA GLY 138 -6.489 1.162 -14.697 1063 HA3 GLY 138 1HA GLY 138 -7.730 1.857 -13.659 1064 H LEU 139 HN LEU 139 -4.596 0.625 -12.649 1065 HA LEU 139 HA LEU 139 -3.739 3.369 -11.996 1066 HB2 LEU 139 2HB LEU 139 -3.269 0.932 -10.268 1067 HB3 LEU 139 1HB LEU 139 -2.861 2.599 -9.876 1068 HG LEU 139 HG LEU 139 -5.683 1.596 -10.371 1069 HD11 LEU 139 1HD1 LEU 139 -5.307 0.622 -8.335 1070 HD12 LEU 139 2HD1 LEU 139 -5.644 2.254 -7.759 1071 HD13 LEU 139 3HD1 LEU 139 -3.977 1.710 -7.943 1072 HD21 LEU 139 1HD2 LEU 139 -4.466 4.249 -9.958 1073 HD22 LEU 139 2HD2 LEU 139 -5.800 3.906 -8.860 1074 HD23 LEU 139 3HD2 LEU 139 -6.051 3.826 -10.602 1075 H SER 140 HN SER 140 -3.172 1.398 -14.201 1076 HA SER 140 HA SER 140 -0.352 0.751 -13.755 1077 HB2 SER 140 2HB SER 140 -0.522 -0.356 -15.969 1078 HB3 SER 140 1HB SER 140 -1.723 -0.952 -14.826 1079 HG SER 140 HG SER 140 -3.111 0.749 -15.809 1080 H THR 141 HN THR 141 -1.011 3.505 -13.807 1081 HA THR 141 HA THR 141 0.867 4.396 -15.791 1082 HB THR 141 HB THR 141 -1.382 4.172 -17.022 1083 HG1 THR 141 1HG THR 141 -0.379 5.530 -18.238 1084 HG21 THR 141 1HG2 THR 141 -2.579 5.230 -14.982 1085 HG22 THR 141 2HG2 THR 141 -3.073 5.756 -16.592 1086 HG23 THR 141 3HG2 THR 141 -2.002 6.768 -15.623 1087 H GLU 142 HN GLU 142 -0.369 4.515 -12.840 1088 HA GLU 142 HA GLU 142 -0.636 7.296 -12.298 1089 HB2 GLU 142 2HB GLU 142 0.246 5.208 -10.310 1090 HB3 GLU 142 1HB GLU 142 -0.632 6.706 -9.998 1091 HG2 GLU 142 2HG GLU 142 -1.662 4.299 -11.513 1092 HG3 GLU 142 1HG GLU 142 -2.200 4.849 -9.929 1093 H SER 143 HN SER 143 1.361 6.642 -9.916 1094 HA SER 143 HA SER 143 3.615 7.966 -11.249 1095 HB2 SER 143 2HB SER 143 4.291 8.407 -8.811 1096 HB3 SER 143 1HB SER 143 2.886 9.263 -9.440 1097 HG SER 143 HG SER 143 2.913 6.888 -7.881 1098 H ILE 144 HN ILE 144 2.769 4.884 -10.019 1099 HA ILE 144 HA ILE 144 4.069 3.187 -9.068 1100 HB ILE 144 HB ILE 144 5.329 3.680 -11.751 1101 HG12 ILE 144 2HG1 ILE 144 2.934 3.527 -12.021 1102 HG13 ILE 144 1HG1 ILE 144 3.646 2.004 -12.544 1103 HG21 ILE 144 1HG2 ILE 144 6.656 2.090 -10.594 1104 HG22 ILE 144 2HG2 ILE 144 5.600 1.145 -11.645 1105 HG23 ILE 144 3HG2 ILE 144 5.235 1.287 -9.926 1106 HD11 ILE 144 1HD1 ILE 144 2.059 2.607 -10.086 1107 HD12 ILE 144 2HD1 ILE 144 3.226 1.291 -10.044 1108 HD13 ILE 144 3HD1 ILE 144 1.898 1.259 -11.204 1109 H LEU 145 HN LEU 145 5.287 3.572 -7.397 1110 HA LEU 145 HA LEU 145 7.935 4.757 -7.855 1111 HB2 LEU 145 2HB LEU 145 6.669 6.008 -6.239 1112 HB3 LEU 145 1HB LEU 145 6.232 4.540 -5.371 1113 HG LEU 145 HG LEU 145 8.480 4.224 -4.606 1114 HD11 LEU 145 1HD1 LEU 145 10.270 5.917 -5.255 1115 HD12 LEU 145 2HD1 LEU 145 9.190 6.419 -6.561 1116 HD13 LEU 145 3HD1 LEU 145 9.820 4.775 -6.514 1117 HD21 LEU 145 1HD2 LEU 145 8.354 7.177 -4.361 1118 HD22 LEU 145 2HD2 LEU 145 8.553 5.949 -3.109 1119 HD23 LEU 145 3HD2 LEU 145 6.957 6.265 -3.793 1120 H ILE 146 HN ILE 146 9.568 3.394 -7.909 1121 HA ILE 146 HA ILE 146 9.440 0.884 -6.360 1122 HB ILE 146 HB ILE 146 10.738 1.203 -9.081 1123 HG12 ILE 146 2HG1 ILE 146 8.255 -0.421 -8.560 1124 HG13 ILE 146 1HG1 ILE 146 8.127 1.289 -8.951 1125 HG21 ILE 146 1HG2 ILE 146 10.242 -1.488 -8.571 1126 HG22 ILE 146 2HG2 ILE 146 10.772 -0.869 -7.007 1127 HG23 ILE 146 3HG2 ILE 146 11.800 -0.680 -8.426 1128 HD11 ILE 146 1HD1 ILE 146 9.147 0.997 -11.067 1129 HD12 ILE 146 2HD1 ILE 146 8.039 -0.366 -10.918 1130 HD13 ILE 146 3HD1 ILE 146 9.764 -0.598 -10.640 1131 HA PRO 147 HA PRO 147 13.353 3.136 -5.496 1132 HB2 PRO 147 2HB PRO 147 13.058 3.602 -2.886 1133 HB3 PRO 147 1HB PRO 147 12.087 4.488 -4.074 1134 HG2 PRO 147 2HG PRO 147 11.282 2.298 -2.258 1135 HG3 PRO 147 1HG PRO 147 10.327 3.635 -2.916 1136 HD2 PRO 147 2HD PRO 147 10.493 0.932 -3.916 1137 HD3 PRO 147 1HD PRO 147 9.554 2.279 -4.580 1138 H ARG 148 HN ARG 148 13.046 1.910 -2.379 1139 HA ARG 148 HA ARG 148 14.245 -0.675 -2.779 1140 HB2 ARG 148 2HB ARG 148 16.389 -0.069 -1.615 1141 HB3 ARG 148 1HB ARG 148 16.221 0.620 -3.232 1142 HG2 ARG 148 2HG ARG 148 15.387 2.737 -2.216 1143 HG3 ARG 148 1HG ARG 148 15.651 2.046 -0.615 1144 HD2 ARG 148 2HD ARG 148 17.970 2.098 -0.828 1145 HD3 ARG 148 1HD ARG 148 17.908 2.072 -2.586 1146 HE ARG 148 HE ARG 148 17.891 4.378 -2.523 1147 HH11 ARG 148 1HH1 ARG 148 17.623 6.410 -1.551 1148 HH12 ARG 148 2HH1 ARG 148 16.998 6.519 0.061 1149 HH21 ARG 148 1HH2 ARG 148 16.663 3.090 0.448 1150 HH22 ARG 148 2HH2 ARG 148 16.455 4.640 1.191 1151 H GLN 149 HN GLN 149 15.439 -1.130 -0.417 1152 HA GLN 149 HA GLN 149 13.328 -0.544 1.575 1153 HB2 GLN 149 2HB GLN 149 15.076 -2.882 2.014 1154 HB3 GLN 149 1HB GLN 149 13.332 -2.718 2.226 1155 HG2 GLN 149 2HG GLN 149 14.816 -3.107 -0.387 1156 HG3 GLN 149 1HG GLN 149 13.728 -4.253 0.393 1157 HE21 GLN 149 1HE2 GLN 149 13.214 -3.340 -2.262 1158 HE22 GLN 149 2HE2 GLN 149 11.818 -2.374 -2.237 1159 H SER 150 HN SER 150 13.935 0.056 3.629 1160 HA SER 150 HA SER 150 16.814 0.297 4.199 1161 HB2 SER 150 2HB SER 150 16.580 2.505 3.671 1162 HB3 SER 150 1HB SER 150 14.836 2.490 3.918 1163 HG SER 150 HG SER 150 16.927 2.770 5.779 1164 H GLU 151 HN GLU 151 17.112 -0.866 5.974 1165 HA GLU 151 HA GLU 151 15.517 -2.030 7.722 1166 HB2 GLU 151 2HB GLU 151 18.175 -0.812 7.994 1167 HB3 GLU 151 1HB GLU 151 17.329 -1.053 9.523 1168 HG2 GLU 151 2HG GLU 151 17.050 -3.393 9.105 1169 HG3 GLU 151 1HG GLU 151 17.565 -3.221 7.429 1170 H THR 152 HN THR 152 16.096 1.449 7.734 1171 HA THR 152 HA THR 152 13.658 1.941 9.132 1172 HB THR 152 HB THR 152 14.767 1.372 11.136 1173 HG1 THR 152 1HG THR 152 13.861 3.604 10.917 1174 HG21 THR 152 1HG2 THR 152 17.048 2.245 11.668 1175 HG22 THR 152 2HG2 THR 152 17.131 2.918 10.039 1176 HG23 THR 152 3HG2 THR 152 17.030 1.172 10.267 1177 H CYS 153 HN CYS 153 13.016 4.056 8.895 1178 HA CYS 153 HA CYS 153 13.971 5.612 6.861 1179 HB2 CYS 153 2HB CYS 153 12.336 7.058 7.458 1180 HB3 CYS 153 1HB CYS 153 11.896 5.816 8.630 1181 H SER 154 HN SER 154 15.526 7.058 6.581 1182 HA SER 154 HA SER 154 16.817 8.537 8.602 1183 HB2 SER 154 2HB SER 154 19.022 6.968 7.746 1184 HB3 SER 154 1HB SER 154 18.377 7.141 9.377 1185 HG SER 154 HG SER 154 17.035 5.477 7.576 1186 HA PRO 155 HA PRO 155 19.264 8.736 4.317 1187 HB2 PRO 155 2HB PRO 155 16.973 7.714 2.689 1188 HB3 PRO 155 1HB PRO 155 18.717 7.557 2.403 1189 HG2 PRO 155 2HG PRO 155 17.300 5.520 3.332 1190 HG3 PRO 155 1HG PRO 155 18.946 5.832 3.908 1191 HD2 PRO 155 2HD PRO 155 16.348 6.297 5.293 1192 HD3 PRO 155 1HD PRO 155 17.932 5.873 5.978 1193 H GLY 156 HN GLY 156 19.216 10.881 4.039 1194 HA2 GLY 156 2HA GLY 156 17.518 12.387 2.562 1195 HA3 GLY 156 1HA GLY 156 16.737 12.373 4.141 1196 H SER 157 HN SER 157 17.215 14.095 5.339 1197 HA SER 157 HA SER 157 19.113 16.030 4.759 1198 HB2 SER 157 2HB SER 157 18.090 15.325 7.518 1199 HB3 SER 157 1HB SER 157 18.748 16.876 7.002 1200 HG SER 157 HG SER 157 16.419 16.750 6.987 1201 H ASP 158 HN ASP 158 21.232 15.668 4.527 1202 HA ASP 158 HA ASP 158 23.397 15.072 5.009 1203 HB2 ASP 158 2HB ASP 158 23.951 15.778 7.060 1204 HB3 ASP 158 1HB ASP 158 22.233 15.876 7.447 Start of MODEL 3 1 H1 HIS 1 1HT HIS 1 -8.851 -23.441 -9.382 2 H2 HIS 1 2HT HIS 1 -9.156 -21.819 -9.786 3 H3 HIS 1 3HT HIS 1 -10.026 -22.563 -8.530 4 HA HIS 1 HA HIS 1 -7.809 -22.893 -7.384 5 HB2 HIS 1 2HB HIS 1 -7.118 -21.092 -9.689 6 HB3 HIS 1 1HB HIS 1 -6.250 -20.930 -8.163 7 HD1 HIS 1 1HD HIS 1 -4.250 -22.395 -7.975 8 HD2 HIS 1 2HD HIS 1 -7.098 -24.029 -10.544 9 HE1 HIS 1 1HE HIS 1 -3.251 -24.538 -8.882 10 H HIS 2 HN HIS 2 -8.014 -21.823 -5.505 11 HA HIS 2 HA HIS 2 -9.634 -19.357 -5.494 12 HB2 HIS 2 2HB HIS 2 -8.977 -21.121 -3.131 13 HB3 HIS 2 1HB HIS 2 -10.230 -19.885 -3.242 14 HD1 HIS 2 1HD HIS 2 -9.413 -23.384 -4.338 15 HD2 HIS 2 2HD HIS 2 -12.575 -20.686 -4.641 16 HE1 HIS 2 1HE HIS 2 -11.393 -24.696 -5.217 17 H LEU 3 HN LEU 3 -8.221 -17.690 -5.720 18 HA LEU 3 HA LEU 3 -5.774 -17.673 -4.098 19 HB2 LEU 3 2HB LEU 3 -5.224 -15.637 -5.462 20 HB3 LEU 3 1HB LEU 3 -5.429 -17.105 -6.414 21 HG LEU 3 HG LEU 3 -7.916 -15.573 -5.988 22 HD11 LEU 3 1HD1 LEU 3 -5.551 -14.433 -7.487 23 HD12 LEU 3 2HD1 LEU 3 -6.557 -13.639 -6.275 24 HD13 LEU 3 3HD1 LEU 3 -7.212 -13.982 -7.876 25 HD21 LEU 3 1HD2 LEU 3 -7.535 -17.600 -7.484 26 HD22 LEU 3 2HD2 LEU 3 -6.589 -16.542 -8.532 27 HD23 LEU 3 3HD2 LEU 3 -8.301 -16.218 -8.266 28 H LEU 4 HN LEU 4 -6.393 -14.533 -4.706 29 HA LEU 4 HA LEU 4 -6.709 -12.834 -3.208 30 HB2 LEU 4 2HB LEU 4 -9.132 -13.989 -4.121 31 HB3 LEU 4 1HB LEU 4 -9.400 -13.528 -2.449 32 HG LEU 4 HG LEU 4 -8.201 -11.679 -4.532 33 HD11 LEU 4 1HD1 LEU 4 -10.684 -10.692 -3.846 34 HD12 LEU 4 2HD1 LEU 4 -10.974 -12.429 -3.937 35 HD13 LEU 4 3HD1 LEU 4 -10.313 -11.571 -5.330 36 HD21 LEU 4 1HD2 LEU 4 -8.212 -10.039 -2.895 37 HD22 LEU 4 2HD2 LEU 4 -7.933 -11.444 -1.869 38 HD23 LEU 4 3HD2 LEU 4 -9.555 -10.773 -2.024 39 H ALA 5 HN ALA 5 -5.164 -14.273 -1.831 40 HA ALA 5 HA ALA 5 -4.518 -15.018 0.237 41 HB1 ALA 5 1HB ALA 5 -4.749 -13.292 1.617 42 HB2 ALA 5 2HB ALA 5 -6.449 -13.684 1.863 43 HB3 ALA 5 3HB ALA 5 -5.970 -12.622 0.541 44 H SER 6 HN SER 6 -4.898 -17.086 0.681 45 HA SER 6 HA SER 6 -7.511 -18.225 0.862 46 HB2 SER 6 2HB SER 6 -5.543 -19.510 0.157 47 HB3 SER 6 1HB SER 6 -4.817 -19.270 1.742 48 HG SER 6 HG SER 6 -6.990 -20.860 0.967 49 H ASP 7 HN ASP 7 -8.552 -19.045 2.721 50 HA ASP 7 HA ASP 7 -8.408 -17.394 5.027 51 HB2 ASP 7 2HB ASP 7 -10.135 -19.417 4.008 52 HB3 ASP 7 1HB ASP 7 -9.688 -19.869 5.652 53 H GLU 8 HN GLU 8 -7.831 -20.892 4.749 54 HA GLU 8 HA GLU 8 -6.888 -21.796 6.986 55 HB2 GLU 8 2HB GLU 8 -5.708 -22.045 4.265 56 HB3 GLU 8 1HB GLU 8 -4.798 -22.710 5.621 57 HG2 GLU 8 2HG GLU 8 -6.597 -24.145 6.252 58 HG3 GLU 8 1HG GLU 8 -7.729 -23.309 5.191 59 H GLU 9 HN GLU 9 -4.646 -19.834 4.995 60 HA GLU 9 HA GLU 9 -3.650 -18.272 7.080 61 HB2 GLU 9 2HB GLU 9 -2.657 -20.972 7.141 62 HB3 GLU 9 1HB GLU 9 -1.328 -19.893 6.747 63 HG2 GLU 9 2HG GLU 9 -3.233 -19.413 9.045 64 HG3 GLU 9 1HG GLU 9 -1.687 -20.236 9.214 65 H ILE 10 HN ILE 10 -4.344 -17.956 4.372 66 HA ILE 10 HA ILE 10 -3.555 -17.258 2.305 67 HB ILE 10 HB ILE 10 -1.791 -15.670 4.174 68 HG12 ILE 10 2HG1 ILE 10 -4.574 -15.010 3.177 69 HG13 ILE 10 1HG1 ILE 10 -4.241 -15.685 4.770 70 HG21 ILE 10 1HG2 ILE 10 -2.595 -14.035 2.105 71 HG22 ILE 10 2HG2 ILE 10 -2.346 -15.577 1.293 72 HG23 ILE 10 3HG2 ILE 10 -1.034 -14.844 2.210 73 HD11 ILE 10 1HD1 ILE 10 -2.897 -13.760 5.382 74 HD12 ILE 10 2HD1 ILE 10 -4.440 -13.172 4.760 75 HD13 ILE 10 3HD1 ILE 10 -3.001 -13.114 3.741 76 H GLN 11 HN GLN 11 -2.031 -19.592 3.479 77 HA GLN 11 HA GLN 11 -0.262 -20.883 2.751 78 HB2 GLN 11 2HB GLN 11 -0.771 -19.465 0.561 79 HB3 GLN 11 1HB GLN 11 0.776 -18.721 0.972 80 HG2 GLN 11 2HG GLN 11 1.539 -21.236 1.287 81 HG3 GLN 11 1HG GLN 11 0.181 -21.557 0.209 82 HE21 GLN 11 1HE2 GLN 11 0.577 -21.290 -2.005 83 HE22 GLN 11 2HE2 GLN 11 1.928 -20.491 -2.649 84 H ASP 12 HN ASP 12 0.473 -17.433 3.180 85 HA ASP 12 HA ASP 12 2.262 -17.888 5.331 86 HB2 ASP 12 2HB ASP 12 4.370 -17.239 4.246 87 HB3 ASP 12 1HB ASP 12 3.737 -18.733 3.558 88 H VAL 13 HN VAL 13 3.057 -15.938 6.233 89 HA VAL 13 HA VAL 13 2.922 -13.371 5.131 90 HB VAL 13 HB VAL 13 0.880 -12.669 6.687 91 HG11 VAL 13 1HG1 VAL 13 1.153 -12.994 3.906 92 HG12 VAL 13 2HG1 VAL 13 -0.132 -12.141 4.744 93 HG13 VAL 13 3HG1 VAL 13 -0.340 -13.835 4.317 94 HG21 VAL 13 1HG2 VAL 13 -0.731 -14.288 7.088 95 HG22 VAL 13 2HG2 VAL 13 0.746 -15.234 7.267 96 HG23 VAL 13 3HG2 VAL 13 -0.177 -15.313 5.771 97 H SER 14 HN SER 14 2.669 -15.435 7.930 98 HA SER 14 HA SER 14 3.327 -13.498 9.898 99 HB2 SER 14 2HB SER 14 2.970 -16.384 9.763 100 HB3 SER 14 1HB SER 14 4.282 -15.927 10.845 101 HG SER 14 HG SER 14 1.856 -15.931 11.512 102 H GLY 15 HN GLY 15 5.136 -12.266 9.289 103 HA2 GLY 15 2HA GLY 15 7.632 -13.032 10.095 104 HA3 GLY 15 1HA GLY 15 7.566 -13.552 8.418 105 H THR 16 HN THR 16 8.625 -12.211 7.197 106 HA THR 16 HA THR 16 8.190 -9.305 7.481 107 HB THR 16 HB THR 16 10.911 -10.476 6.911 108 HG1 THR 16 1HG THR 16 10.840 -10.967 8.953 109 HG21 THR 16 1HG2 THR 16 9.945 -7.729 7.757 110 HG22 THR 16 2HG2 THR 16 10.519 -8.175 6.149 111 HG23 THR 16 3HG2 THR 16 11.630 -8.187 7.518 112 H TRP 17 HN TRP 17 8.314 -8.104 5.599 113 HA TRP 17 HA TRP 17 8.740 -9.553 3.081 114 HB2 TRP 17 2HB TRP 17 6.309 -7.894 3.787 115 HB3 TRP 17 1HB TRP 17 6.681 -8.482 2.167 116 HD1 TRP 17 1HD TRP 17 6.119 -9.933 5.724 117 HE1 TRP 17 1HE TRP 17 5.046 -12.266 5.466 118 HE3 TRP 17 3HE TRP 17 6.069 -10.315 0.659 119 HZ2 TRP 17 2HZ TRP 17 4.265 -14.057 3.362 120 HZ3 TRP 17 3HZ TRP 17 5.157 -12.324 -0.467 121 HH2 TRP 17 2HH TRP 17 4.252 -14.200 0.884 122 H TYR 18 HN TYR 18 8.589 -7.876 1.200 123 HA TYR 18 HA TYR 18 9.756 -5.300 2.042 124 HB2 TYR 18 2HB TYR 18 10.785 -7.082 -0.188 125 HB3 TYR 18 1HB TYR 18 11.362 -5.453 0.165 126 HD1 TYR 18 1HD TYR 18 11.001 -8.870 1.613 127 HD2 TYR 18 2HD TYR 18 12.969 -5.062 1.865 128 HE1 TYR 18 1HE TYR 18 12.557 -9.787 3.314 129 HE2 TYR 18 2HE TYR 18 14.525 -5.977 3.564 130 HH TYR 18 HH TYR 18 15.391 -8.143 4.284 131 H LEU 19 HN LEU 19 9.495 -3.611 0.350 132 HA LEU 19 HA LEU 19 7.092 -4.115 -1.296 133 HB2 LEU 19 2HB LEU 19 7.158 -2.302 0.557 134 HB3 LEU 19 1HB LEU 19 8.206 -1.420 -0.550 135 HG LEU 19 HG LEU 19 6.374 -1.862 -2.322 136 HD11 LEU 19 1HD1 LEU 19 5.226 -3.264 -0.179 137 HD12 LEU 19 2HD1 LEU 19 4.434 -2.820 -1.686 138 HD13 LEU 19 3HD1 LEU 19 4.304 -1.766 -0.280 139 HD21 LEU 19 1HD2 LEU 19 6.663 0.370 -1.683 140 HD22 LEU 19 2HD2 LEU 19 6.241 0.044 -0.002 141 HD23 LEU 19 3HD2 LEU 19 4.982 0.075 -1.235 142 H LYS 20 HN LYS 20 7.427 -4.261 -3.420 143 HA LYS 20 HA LYS 20 9.994 -3.270 -4.487 144 HB2 LYS 20 2HB LYS 20 8.121 -5.199 -5.838 145 HB3 LYS 20 1HB LYS 20 9.835 -4.942 -6.149 146 HG2 LYS 20 2HG LYS 20 9.772 -5.567 -3.434 147 HG3 LYS 20 1HG LYS 20 8.544 -6.627 -4.120 148 HD2 LYS 20 2HD LYS 20 10.688 -7.769 -4.189 149 HD3 LYS 20 1HD LYS 20 10.215 -7.364 -5.838 150 HE2 LYS 20 2HE LYS 20 12.056 -6.108 -6.109 151 HE3 LYS 20 1HE LYS 20 11.697 -5.188 -4.648 152 HZ1 LYS 20 1HZ LYS 20 12.694 -6.948 -3.332 153 HZ2 LYS 20 2HZ LYS 20 13.809 -6.344 -4.464 154 HZ3 LYS 20 3HZ LYS 20 13.040 -7.834 -4.737 155 H ALA 21 HN ALA 21 6.704 -2.498 -4.470 156 HA ALA 21 HA ALA 21 7.100 -0.386 -6.380 157 HB1 ALA 21 1HB ALA 21 6.471 -2.737 -7.578 158 HB2 ALA 21 2HB ALA 21 6.006 -1.155 -8.210 159 HB3 ALA 21 3HB ALA 21 4.861 -2.095 -7.254 160 H MET 22 HN MET 22 5.675 1.252 -6.046 161 HA MET 22 HA MET 22 3.305 0.705 -4.392 162 HB2 MET 22 2HB MET 22 5.173 1.592 -2.999 163 HB3 MET 22 1HB MET 22 5.239 3.010 -4.039 164 HG2 MET 22 2HG MET 22 2.588 2.996 -3.420 165 HG3 MET 22 1HG MET 22 3.264 2.287 -1.951 166 HE1 MET 22 1HE MET 22 3.358 5.511 -0.192 167 HE2 MET 22 2HE MET 22 3.316 3.751 -0.125 168 HE3 MET 22 3HE MET 22 2.031 4.626 -0.958 169 H THR 23 HN THR 23 1.521 1.566 -5.218 170 HA THR 23 HA THR 23 1.797 3.506 -7.414 171 HB THR 23 HB THR 23 0.006 1.272 -6.837 172 HG1 THR 23 1HG THR 23 -0.092 2.611 -9.233 173 HG21 THR 23 1HG2 THR 23 -1.210 3.918 -7.672 174 HG22 THR 23 2HG2 THR 23 -1.651 2.937 -6.269 175 HG23 THR 23 3HG2 THR 23 -1.983 2.353 -7.893 176 H VAL 24 HN VAL 24 1.357 5.581 -7.022 177 HA VAL 24 HA VAL 24 -0.526 6.250 -4.845 178 HB VAL 24 HB VAL 24 1.719 8.115 -5.018 179 HG11 VAL 24 1HG1 VAL 24 0.707 6.498 -2.670 180 HG12 VAL 24 2HG1 VAL 24 -0.138 7.927 -3.265 181 HG13 VAL 24 3HG1 VAL 24 1.504 8.071 -2.641 182 HG21 VAL 24 1HG2 VAL 24 2.988 6.058 -5.470 183 HG22 VAL 24 2HG2 VAL 24 2.202 5.258 -4.108 184 HG23 VAL 24 3HG2 VAL 24 3.299 6.608 -3.824 185 H ASP 25 HN ASP 25 -2.135 7.278 -5.831 186 HA ASP 25 HA ASP 25 -2.219 8.516 -8.265 187 HB2 ASP 25 2HB ASP 25 -4.062 8.166 -6.403 188 HB3 ASP 25 1HB ASP 25 -3.668 9.840 -6.012 189 H ARG 26 HN ARG 26 -2.388 10.864 -8.773 190 HA ARG 26 HA ARG 26 -0.129 12.287 -7.536 191 HB2 ARG 26 2HB ARG 26 -1.473 13.294 -10.000 192 HB3 ARG 26 1HB ARG 26 0.236 13.311 -9.562 193 HG2 ARG 26 2HG ARG 26 0.075 10.718 -9.760 194 HG3 ARG 26 1HG ARG 26 -1.399 11.039 -10.675 195 HD2 ARG 26 2HD ARG 26 1.388 12.038 -11.306 196 HD3 ARG 26 1HD ARG 26 0.439 10.887 -12.241 197 HE ARG 26 HE ARG 26 -0.825 13.474 -11.894 198 HH11 ARG 26 1HH1 ARG 26 -1.110 14.668 -13.804 199 HH12 ARG 26 2HH1 ARG 26 -0.276 14.197 -15.248 200 HH21 ARG 26 1HH2 ARG 26 1.304 11.489 -13.765 201 HH22 ARG 26 2HH2 ARG 26 1.090 12.397 -15.225 202 H GLU 27 HN GLU 27 -3.086 12.069 -6.639 203 HA GLU 27 HA GLU 27 -3.786 14.923 -6.681 204 HB2 GLU 27 2HB GLU 27 -5.507 13.211 -7.303 205 HB3 GLU 27 1HB GLU 27 -5.416 12.592 -5.653 206 HG2 GLU 27 2HG GLU 27 -6.899 14.160 -5.026 207 HG3 GLU 27 1HG GLU 27 -5.711 15.398 -5.431 208 H PHE 28 HN PHE 28 -3.338 12.224 -4.397 209 HA PHE 28 HA PHE 28 -3.834 13.424 -2.001 210 HB2 PHE 28 2HB PHE 28 -1.382 11.718 -2.471 211 HB3 PHE 28 1HB PHE 28 -2.326 11.845 -0.993 212 HD1 PHE 28 1HD PHE 28 -1.675 9.663 -3.533 213 HD2 PHE 28 2HD PHE 28 -5.057 11.514 -1.636 214 HE1 PHE 28 1HE PHE 28 -3.119 7.803 -4.291 215 HE2 PHE 28 2HE PHE 28 -6.499 9.658 -2.405 216 HZ PHE 28 HZ PHE 28 -5.534 7.799 -3.730 217 HA PRO 29 HA PRO 29 -1.453 17.035 -1.131 218 HB2 PRO 29 2HB PRO 29 -0.208 15.232 0.947 219 HB3 PRO 29 1HB PRO 29 -0.654 16.947 1.082 220 HG2 PRO 29 2HG PRO 29 -2.251 15.020 1.983 221 HG3 PRO 29 1HG PRO 29 -2.902 16.480 1.216 222 HD2 PRO 29 2HD PRO 29 -2.897 13.714 0.211 223 HD3 PRO 29 1HD PRO 29 -3.862 15.100 -0.334 224 H GLU 30 HN GLU 30 1.262 15.411 0.155 225 HA GLU 30 HA GLU 30 2.689 15.543 -2.427 226 HB2 GLU 30 2HB GLU 30 3.523 16.682 0.240 227 HB3 GLU 30 1HB GLU 30 4.663 16.393 -1.075 228 HG2 GLU 30 2HG GLU 30 3.507 17.915 -2.525 229 HG3 GLU 30 1HG GLU 30 2.144 18.035 -1.414 230 H MET 31 HN MET 31 1.599 13.215 -1.181 231 HA MET 31 HA MET 31 3.386 11.754 0.392 232 HB2 MET 31 2HB MET 31 1.177 11.090 -1.484 233 HB3 MET 31 1HB MET 31 2.297 9.788 -1.078 234 HG2 MET 31 2HG MET 31 0.266 10.046 0.458 235 HG3 MET 31 1HG MET 31 1.839 9.984 1.253 236 HE1 MET 31 1HE MET 31 0.403 12.456 3.663 237 HE2 MET 31 2HE MET 31 1.301 10.970 3.360 238 HE3 MET 31 3HE MET 31 -0.419 11.046 2.980 239 H ASN 32 HN ASN 32 5.493 12.384 -0.441 240 HA ASN 32 HA ASN 32 6.216 11.122 -3.010 241 HB2 ASN 32 2HB ASN 32 6.710 13.604 -2.474 242 HB3 ASN 32 1HB ASN 32 7.977 12.973 -1.422 243 HD21 ASN 32 1HD2 ASN 32 6.828 11.920 -4.681 244 HD22 ASN 32 2HD2 ASN 32 8.362 12.004 -5.402 245 H LEU 33 HN LEU 33 5.997 9.055 -1.606 246 HA LEU 33 HA LEU 33 7.638 8.326 0.443 247 HB2 LEU 33 2HB LEU 33 5.939 6.971 -1.132 248 HB3 LEU 33 1HB LEU 33 7.459 6.390 -1.805 249 HG LEU 33 HG LEU 33 6.696 6.321 1.129 250 HD11 LEU 33 1HD1 LEU 33 5.475 4.551 0.332 251 HD12 LEU 33 2HD1 LEU 33 7.041 3.745 0.420 252 HD13 LEU 33 3HD1 LEU 33 6.466 4.385 -1.119 253 HD21 LEU 33 1HD2 LEU 33 9.191 5.689 -0.403 254 HD22 LEU 33 2HD2 LEU 33 8.780 4.684 0.983 255 HD23 LEU 33 3HD2 LEU 33 9.012 6.419 1.192 256 H GLU 34 HN GLU 34 9.735 8.655 0.709 257 HA GLU 34 HA GLU 34 11.507 8.743 -1.625 258 HB2 GLU 34 2HB GLU 34 11.698 9.668 1.216 259 HB3 GLU 34 1HB GLU 34 13.178 9.388 0.298 260 HG2 GLU 34 2HG GLU 34 12.397 10.909 -1.464 261 HG3 GLU 34 1HG GLU 34 10.891 11.172 -0.585 262 H SER 35 HN SER 35 10.923 6.854 1.286 263 HA SER 35 HA SER 35 12.423 4.632 0.195 264 HB2 SER 35 2HB SER 35 14.266 4.637 1.541 265 HB3 SER 35 1HB SER 35 13.979 6.375 1.545 266 HG SER 35 HG SER 35 13.297 6.261 3.550 267 H VAL 36 HN VAL 36 12.182 2.676 1.515 268 HA VAL 36 HA VAL 36 10.067 2.875 3.537 269 HB VAL 36 HB VAL 36 9.276 2.197 1.179 270 HG11 VAL 36 1HG1 VAL 36 10.339 -0.498 2.018 271 HG12 VAL 36 2HG1 VAL 36 11.320 0.590 1.034 272 HG13 VAL 36 3HG1 VAL 36 9.766 0.016 0.432 273 HG21 VAL 36 1HG2 VAL 36 7.611 1.745 2.680 274 HG22 VAL 36 2HG2 VAL 36 8.715 0.981 3.823 275 HG23 VAL 36 3HG2 VAL 36 8.114 0.072 2.437 276 H THR 37 HN THR 37 10.049 1.220 5.094 277 HA THR 37 HA THR 37 12.640 -0.162 5.338 278 HB THR 37 HB THR 37 12.162 -0.288 7.708 279 HG1 THR 37 1HG THR 37 10.159 -0.406 8.245 280 HG21 THR 37 1HG2 THR 37 12.947 1.899 6.653 281 HG22 THR 37 2HG2 THR 37 12.214 2.020 8.253 282 HG23 THR 37 3HG2 THR 37 11.282 2.453 6.821 283 HA PRO 38 HA PRO 38 11.055 -4.262 4.589 284 HB2 PRO 38 2HB PRO 38 11.908 -4.782 7.422 285 HB3 PRO 38 1HB PRO 38 12.183 -5.765 5.970 286 HG2 PRO 38 2HG PRO 38 14.088 -4.204 7.011 287 HG3 PRO 38 1HG PRO 38 13.939 -4.479 5.269 288 HD2 PRO 38 2HD PRO 38 13.402 -2.024 6.810 289 HD3 PRO 38 1HD PRO 38 13.682 -2.220 5.066 290 H MET 39 HN MET 39 8.960 -5.027 4.765 291 HA MET 39 HA MET 39 7.277 -3.835 6.810 292 HB2 MET 39 2HB MET 39 6.450 -3.808 4.527 293 HB3 MET 39 1HB MET 39 6.633 -5.559 4.409 294 HG2 MET 39 2HG MET 39 4.769 -5.977 5.679 295 HG3 MET 39 1HG MET 39 5.002 -4.546 6.681 296 HE1 MET 39 1HE MET 39 3.184 -4.781 2.480 297 HE2 MET 39 2HE MET 39 4.036 -6.036 3.374 298 HE3 MET 39 3HE MET 39 4.941 -4.701 2.666 299 H THR 40 HN THR 40 6.392 -4.878 8.487 300 HA THR 40 HA THR 40 7.099 -7.718 8.800 301 HB THR 40 HB THR 40 6.518 -5.554 10.828 302 HG1 THR 40 1HG THR 40 8.619 -5.557 10.232 303 HG21 THR 40 1HG2 THR 40 7.216 -7.689 12.327 304 HG22 THR 40 2HG2 THR 40 6.358 -8.514 11.025 305 HG23 THR 40 3HG2 THR 40 5.538 -7.276 11.978 306 H LEU 41 HN LEU 41 5.499 -9.154 8.652 307 HA LEU 41 HA LEU 41 2.707 -8.210 9.005 308 HB2 LEU 41 2HB LEU 41 3.981 -10.071 7.018 309 HB3 LEU 41 1HB LEU 41 2.271 -10.237 7.425 310 HG LEU 41 HG LEU 41 3.079 -7.454 6.921 311 HD11 LEU 41 1HD1 LEU 41 4.533 -8.272 5.266 312 HD12 LEU 41 2HD1 LEU 41 3.045 -7.893 4.401 313 HD13 LEU 41 3HD1 LEU 41 3.428 -9.567 4.805 314 HD21 LEU 41 1HD2 LEU 41 1.010 -7.518 5.610 315 HD22 LEU 41 2HD2 LEU 41 0.768 -8.271 7.186 316 HD23 LEU 41 3HD2 LEU 41 0.959 -9.275 5.748 317 H THR 42 HN THR 42 1.958 -8.947 10.855 318 HA THR 42 HA THR 42 2.748 -11.636 11.785 319 HB THR 42 HB THR 42 2.821 -10.808 13.878 320 HG1 THR 42 1HG THR 42 0.960 -10.361 14.697 321 HG21 THR 42 1HG2 THR 42 3.151 -8.399 14.071 322 HG22 THR 42 2HG2 THR 42 2.352 -8.140 12.521 323 HG23 THR 42 3HG2 THR 42 3.903 -8.976 12.585 324 H THR 43 HN THR 43 1.236 -13.186 12.047 325 HA THR 43 HA THR 43 -1.481 -12.527 11.143 326 HB THR 43 HB THR 43 -0.424 -15.299 11.662 327 HG1 THR 43 1HG THR 43 -0.363 -13.934 9.188 328 HG21 THR 43 1HG2 THR 43 -2.437 -14.329 9.635 329 HG22 THR 43 2HG2 THR 43 -2.899 -14.710 11.296 330 HG23 THR 43 3HG2 THR 43 -2.212 -15.964 10.261 331 H LEU 44 HN LEU 44 -3.062 -12.279 12.577 332 HA LEU 44 HA LEU 44 -2.594 -13.049 15.345 333 HB2 LEU 44 2HB LEU 44 -5.072 -11.676 14.358 334 HB3 LEU 44 1HB LEU 44 -4.273 -11.537 15.924 335 HG LEU 44 HG LEU 44 -3.248 -10.472 13.276 336 HD11 LEU 44 1HD1 LEU 44 -4.243 -8.547 13.877 337 HD12 LEU 44 2HD1 LEU 44 -3.418 -8.576 15.435 338 HD13 LEU 44 3HD1 LEU 44 -4.975 -9.383 15.247 339 HD21 LEU 44 1HD2 LEU 44 -1.308 -11.158 14.444 340 HD22 LEU 44 2HD2 LEU 44 -1.990 -10.717 16.009 341 HD23 LEU 44 3HD2 LEU 44 -1.483 -9.459 14.882 342 H GLU 45 HN GLU 45 -3.240 -14.900 16.101 343 HA GLU 45 HA GLU 45 -4.226 -17.019 16.103 344 HB2 GLU 45 2HB GLU 45 -5.689 -15.247 17.364 345 HB3 GLU 45 1HB GLU 45 -6.818 -15.519 16.036 346 HG2 GLU 45 2HG GLU 45 -7.526 -17.181 17.469 347 HG3 GLU 45 1HG GLU 45 -6.285 -18.072 16.592 348 H GLY 46 HN GLY 46 -3.782 -15.948 13.367 349 HA2 GLY 46 2HA GLY 46 -4.247 -16.622 11.215 350 HA3 GLY 46 1HA GLY 46 -5.202 -17.925 11.915 351 H GLY 47 HN GLY 47 -6.424 -15.214 13.259 352 HA2 GLY 47 2HA GLY 47 -8.705 -15.198 11.443 353 HA3 GLY 47 1HA GLY 47 -8.612 -14.411 13.015 354 H ASN 48 HN ASN 48 -6.701 -12.675 12.992 355 HA ASN 48 HA ASN 48 -7.189 -10.954 10.630 356 HB2 ASN 48 2HB ASN 48 -6.360 -9.987 13.363 357 HB3 ASN 48 1HB ASN 48 -7.039 -9.052 12.033 358 HD21 ASN 48 1HD2 ASN 48 -8.068 -12.129 13.631 359 HD22 ASN 48 2HD2 ASN 48 -9.653 -11.601 13.935 360 H LEU 49 HN LEU 49 -5.404 -9.373 10.194 361 HA LEU 49 HA LEU 49 -2.749 -10.581 10.712 362 HB2 LEU 49 2HB LEU 49 -4.112 -10.282 8.254 363 HB3 LEU 49 1HB LEU 49 -2.849 -9.053 8.266 364 HG LEU 49 HG LEU 49 -2.345 -11.971 8.920 365 HD11 LEU 49 1HD1 LEU 49 -3.180 -11.685 6.600 366 HD12 LEU 49 2HD1 LEU 49 -1.484 -12.153 6.634 367 HD13 LEU 49 3HD1 LEU 49 -1.925 -10.480 6.312 368 HD21 LEU 49 1HD2 LEU 49 -0.192 -11.336 9.253 369 HD22 LEU 49 2HD2 LEU 49 -0.807 -9.687 9.349 370 HD23 LEU 49 3HD2 LEU 49 -0.194 -10.312 7.821 371 H GLU 50 HN GLU 50 -1.115 -9.177 11.253 372 HA GLU 50 HA GLU 50 -1.823 -6.318 11.440 373 HB2 GLU 50 2HB GLU 50 -1.514 -7.430 13.643 374 HB3 GLU 50 1HB GLU 50 0.128 -7.852 13.162 375 HG2 GLU 50 2HG GLU 50 0.698 -5.487 12.904 376 HG3 GLU 50 1HG GLU 50 -0.959 -5.024 13.285 377 H ALA 51 HN ALA 51 -0.730 -5.049 10.102 378 HA ALA 51 HA ALA 51 1.881 -6.016 9.131 379 HB1 ALA 51 1HB ALA 51 1.123 -5.729 7.073 380 HB2 ALA 51 2HB ALA 51 0.833 -4.020 7.409 381 HB3 ALA 51 3HB ALA 51 -0.437 -5.209 7.710 382 H LYS 52 HN LYS 52 3.588 -4.902 9.670 383 HA LYS 52 HA LYS 52 3.234 -2.066 10.443 384 HB2 LYS 52 2HB LYS 52 5.471 -3.194 11.807 385 HB3 LYS 52 1HB LYS 52 3.996 -2.514 12.493 386 HG2 LYS 52 2HG LYS 52 2.856 -4.670 12.254 387 HG3 LYS 52 1HG LYS 52 4.281 -5.361 11.482 388 HD2 LYS 52 2HD LYS 52 4.221 -5.993 13.851 389 HD3 LYS 52 1HD LYS 52 5.595 -4.935 13.537 390 HE2 LYS 52 2HE LYS 52 3.040 -3.620 14.327 391 HE3 LYS 52 1HE LYS 52 3.901 -4.512 15.580 392 HZ1 LYS 52 1HZ LYS 52 4.711 -2.118 14.110 393 HZ2 LYS 52 2HZ LYS 52 5.926 -3.217 14.560 394 HZ3 LYS 52 3HZ LYS 52 4.933 -2.513 15.745 395 H VAL 53 HN VAL 53 4.306 -0.746 9.134 396 HA VAL 53 HA VAL 53 7.030 -1.441 8.344 397 HB VAL 53 HB VAL 53 5.592 -2.279 6.511 398 HG11 VAL 53 1HG1 VAL 53 4.709 0.607 6.231 399 HG12 VAL 53 2HG1 VAL 53 3.718 -0.673 6.932 400 HG13 VAL 53 3HG1 VAL 53 4.198 -0.756 5.238 401 HG21 VAL 53 1HG2 VAL 53 7.170 -1.600 5.038 402 HG22 VAL 53 2HG2 VAL 53 7.795 -0.562 6.319 403 HG23 VAL 53 3HG2 VAL 53 6.640 0.079 5.150 404 H THR 54 HN THR 54 8.287 0.354 7.947 405 HA THR 54 HA THR 54 7.045 2.926 8.637 406 HB THR 54 HB THR 54 9.967 2.195 8.817 407 HG1 THR 54 1HG THR 54 9.606 1.815 10.945 408 HG21 THR 54 1HG2 THR 54 9.973 4.231 10.313 409 HG22 THR 54 2HG2 THR 54 8.318 4.539 9.788 410 HG23 THR 54 3HG2 THR 54 9.634 4.571 8.616 411 H MET 55 HN MET 55 7.107 4.532 7.244 412 HA MET 55 HA MET 55 8.675 4.116 4.774 413 HB2 MET 55 2HB MET 55 6.617 5.857 4.147 414 HB3 MET 55 1HB MET 55 6.749 4.163 3.685 415 HG2 MET 55 2HG MET 55 5.488 3.451 5.601 416 HG3 MET 55 1HG MET 55 5.585 5.055 6.327 417 HE1 MET 55 1HE MET 55 3.462 4.765 2.249 418 HE2 MET 55 2HE MET 55 4.720 3.648 2.758 419 HE3 MET 55 3HE MET 55 5.105 5.352 2.513 420 H LEU 56 HN LEU 56 9.458 5.882 3.710 421 HA LEU 56 HA LEU 56 9.956 8.200 5.463 422 HB2 LEU 56 2HB LEU 56 11.965 6.981 4.575 423 HB3 LEU 56 1HB LEU 56 11.426 7.370 2.946 424 HG LEU 56 HG LEU 56 11.491 9.803 3.547 425 HD11 LEU 56 1HD1 LEU 56 13.104 10.129 5.644 426 HD12 LEU 56 2HD1 LEU 56 12.363 8.614 6.156 427 HD13 LEU 56 3HD1 LEU 56 11.356 10.026 5.849 428 HD21 LEU 56 1HD2 LEU 56 13.865 10.006 3.294 429 HD22 LEU 56 2HD2 LEU 56 13.410 8.517 2.466 430 HD23 LEU 56 3HD2 LEU 56 14.147 8.445 4.066 431 H ILE 57 HN ILE 57 7.917 9.127 5.025 432 HA ILE 57 HA ILE 57 7.141 9.655 2.303 433 HB ILE 57 HB ILE 57 5.952 10.546 4.941 434 HG12 ILE 57 2HG1 ILE 57 5.962 8.050 4.023 435 HG13 ILE 57 1HG1 ILE 57 4.524 8.727 4.775 436 HG21 ILE 57 1HG2 ILE 57 5.153 10.994 2.069 437 HG22 ILE 57 2HG2 ILE 57 5.285 12.175 3.371 438 HG23 ILE 57 3HG2 ILE 57 3.956 11.016 3.367 439 HD11 ILE 57 1HD1 ILE 57 4.986 8.927 1.795 440 HD12 ILE 57 2HD1 ILE 57 3.474 9.104 2.683 441 HD13 ILE 57 3HD1 ILE 57 4.216 7.516 2.516 442 H SER 58 HN SER 58 8.059 11.217 1.205 443 HA SER 58 HA SER 58 9.274 13.140 0.744 444 HB2 SER 58 2HB SER 58 8.083 15.181 1.541 445 HB3 SER 58 1HB SER 58 7.009 13.997 0.801 446 HG SER 58 HG SER 58 5.987 14.328 2.643 447 H GLY 59 HN GLY 59 10.747 11.783 2.579 448 HA2 GLY 59 2HA GLY 59 12.588 12.278 3.899 449 HA3 GLY 59 1HA GLY 59 12.016 13.934 4.034 450 H ARG 60 HN ARG 60 9.330 12.543 4.858 451 HA ARG 60 HA ARG 60 9.930 12.633 7.716 452 HB2 ARG 60 2HB ARG 60 7.234 12.250 6.397 453 HB3 ARG 60 1HB ARG 60 7.553 12.750 8.053 454 HG2 ARG 60 2HG ARG 60 8.692 14.433 5.848 455 HG3 ARG 60 1HG ARG 60 6.963 14.532 6.161 456 HD2 ARG 60 2HD ARG 60 7.408 15.044 8.525 457 HD3 ARG 60 1HD ARG 60 9.141 14.927 8.229 458 HE ARG 60 HE ARG 60 8.051 16.800 6.427 459 HH11 ARG 60 1HH1 ARG 60 8.282 19.012 6.866 460 HH12 ARG 60 2HH1 ARG 60 8.610 19.541 8.482 461 HH21 ARG 60 1HH2 ARG 60 8.628 16.336 9.808 462 HH22 ARG 60 2HH2 ARG 60 8.806 18.026 10.148 463 H CYS 61 HN CYS 61 10.130 10.866 8.972 464 HA CYS 61 HA CYS 61 9.715 8.228 7.782 465 HB2 CYS 61 2HB CYS 61 11.757 8.857 9.187 466 HB3 CYS 61 1HB CYS 61 10.679 8.823 10.582 467 H GLN 62 HN GLN 62 7.659 7.551 7.792 468 HA GLN 62 HA GLN 62 6.041 8.023 10.219 469 HB2 GLN 62 2HB GLN 62 4.936 7.220 7.543 470 HB3 GLN 62 1HB GLN 62 4.115 8.024 8.882 471 HG2 GLN 62 2HG GLN 62 6.237 9.193 7.066 472 HG3 GLN 62 1HG GLN 62 4.553 9.696 7.202 473 HE21 GLN 62 1HE2 GLN 62 3.942 10.375 9.596 474 HE22 GLN 62 2HE2 GLN 62 5.100 11.313 10.406 475 H GLU 63 HN GLU 63 5.810 6.352 11.511 476 HA GLU 63 HA GLU 63 6.296 3.627 10.645 477 HB2 GLU 63 2HB GLU 63 5.228 4.593 13.304 478 HB3 GLU 63 1HB GLU 63 5.995 3.043 12.957 479 HG2 GLU 63 2HG GLU 63 7.875 4.083 13.718 480 HG3 GLU 63 1HG GLU 63 7.924 4.758 12.090 481 H VAL 64 HN VAL 64 4.780 2.412 9.703 482 HA VAL 64 HA VAL 64 1.950 3.133 10.150 483 HB VAL 64 HB VAL 64 2.996 1.256 8.037 484 HG11 VAL 64 1HG1 VAL 64 0.508 1.505 8.705 485 HG12 VAL 64 2HG1 VAL 64 0.909 1.645 6.993 486 HG13 VAL 64 3HG1 VAL 64 0.606 3.096 7.951 487 HG21 VAL 64 1HG2 VAL 64 4.224 3.313 7.699 488 HG22 VAL 64 2HG2 VAL 64 2.771 4.278 7.961 489 HG23 VAL 64 3HG2 VAL 64 2.914 3.274 6.519 490 H LYS 65 HN LYS 65 0.499 1.627 10.907 491 HA LYS 65 HA LYS 65 1.296 -1.133 11.338 492 HB2 LYS 65 2HB LYS 65 2.233 -0.057 13.321 493 HB3 LYS 65 1HB LYS 65 0.691 0.717 13.660 494 HG2 LYS 65 2HG LYS 65 0.359 -2.155 13.306 495 HG3 LYS 65 1HG LYS 65 1.554 -1.813 14.551 496 HD2 LYS 65 2HD LYS 65 0.017 -0.703 15.917 497 HD3 LYS 65 1HD LYS 65 -1.072 -0.334 14.582 498 HE2 LYS 65 2HE LYS 65 -1.850 -2.567 14.444 499 HE3 LYS 65 1HE LYS 65 -0.536 -3.166 15.459 500 HZ1 LYS 65 1HZ LYS 65 -1.693 -2.717 17.281 501 HZ2 LYS 65 2HZ LYS 65 -3.039 -2.406 16.292 502 HZ3 LYS 65 3HZ LYS 65 -2.024 -1.132 16.778 503 H ALA 66 HN ALA 66 -0.429 -1.757 10.077 504 HA ALA 66 HA ALA 66 -3.103 -0.939 11.004 505 HB1 ALA 66 1HB ALA 66 -1.913 -1.338 8.354 506 HB2 ALA 66 2HB ALA 66 -3.315 -0.380 8.829 507 HB3 ALA 66 3HB ALA 66 -3.483 -2.114 8.559 508 H VAL 67 HN VAL 67 -4.773 -2.505 10.870 509 HA VAL 67 HA VAL 67 -3.818 -5.256 11.239 510 HB VAL 67 HB VAL 67 -6.121 -3.991 12.727 511 HG11 VAL 67 1HG1 VAL 67 -4.972 -6.323 13.939 512 HG12 VAL 67 2HG1 VAL 67 -5.331 -6.689 12.252 513 HG13 VAL 67 3HG1 VAL 67 -6.608 -6.107 13.320 514 HG21 VAL 67 1HG2 VAL 67 -4.643 -3.960 14.665 515 HG22 VAL 67 2HG2 VAL 67 -3.882 -3.050 13.360 516 HG23 VAL 67 3HG2 VAL 67 -3.341 -4.689 13.727 517 H LEU 68 HN LEU 68 -4.474 -6.420 9.601 518 HA LEU 68 HA LEU 68 -6.769 -5.718 8.003 519 HB2 LEU 68 2HB LEU 68 -5.000 -8.173 7.954 520 HB3 LEU 68 1HB LEU 68 -6.111 -7.686 6.686 521 HG LEU 68 HG LEU 68 -3.689 -6.116 7.626 522 HD11 LEU 68 1HD1 LEU 68 -3.794 -8.312 5.952 523 HD12 LEU 68 2HD1 LEU 68 -2.547 -7.063 5.897 524 HD13 LEU 68 3HD1 LEU 68 -3.938 -6.971 4.815 525 HD21 LEU 68 1HD2 LEU 68 -4.401 -4.926 5.341 526 HD22 LEU 68 2HD2 LEU 68 -5.099 -4.432 6.885 527 HD23 LEU 68 3HD2 LEU 68 -5.991 -5.513 5.818 528 H GLU 69 HN GLU 69 -8.552 -5.917 9.488 529 HA GLU 69 HA GLU 69 -8.990 -8.447 10.827 530 HB2 GLU 69 2HB GLU 69 -11.341 -7.387 11.189 531 HB3 GLU 69 1HB GLU 69 -9.957 -6.678 12.018 532 HG2 GLU 69 2HG GLU 69 -9.933 -4.796 10.669 533 HG3 GLU 69 1HG GLU 69 -10.651 -5.657 9.302 534 H LYS 70 HN LYS 70 -9.983 -10.184 10.021 535 HA LYS 70 HA LYS 70 -10.593 -10.381 7.272 536 HB2 LYS 70 2HB LYS 70 -9.832 -12.252 8.719 537 HB3 LYS 70 1HB LYS 70 -11.397 -12.230 9.527 538 HG2 LYS 70 2HG LYS 70 -11.918 -12.296 6.736 539 HG3 LYS 70 1HG LYS 70 -10.676 -13.507 7.057 540 HD2 LYS 70 2HD LYS 70 -12.047 -14.481 8.837 541 HD3 LYS 70 1HD LYS 70 -13.278 -13.243 8.584 542 HE2 LYS 70 2HE LYS 70 -13.087 -15.737 7.283 543 HE3 LYS 70 1HE LYS 70 -14.187 -14.419 6.888 544 HZ1 LYS 70 1HZ LYS 70 -12.565 -13.497 5.407 545 HZ2 LYS 70 2HZ LYS 70 -12.798 -15.130 5.001 546 HZ3 LYS 70 3HZ LYS 70 -11.412 -14.656 5.862 547 H THR 71 HN THR 71 -12.503 -10.415 6.156 548 HA THR 71 HA THR 71 -14.877 -9.456 7.636 549 HB THR 71 HB THR 71 -15.670 -8.653 5.430 550 HG1 THR 71 1HG THR 71 -14.548 -10.098 4.120 551 HG21 THR 71 1HG2 THR 71 -14.167 -6.779 5.273 552 HG22 THR 71 2HG2 THR 71 -12.870 -7.691 6.045 553 HG23 THR 71 3HG2 THR 71 -14.295 -7.224 6.973 554 H ASP 72 HN ASP 72 -16.941 -10.063 6.254 555 HA ASP 72 HA ASP 72 -17.355 -12.816 6.582 556 HB2 ASP 72 2HB ASP 72 -19.089 -11.447 4.625 557 HB3 ASP 72 1HB ASP 72 -19.516 -12.346 6.079 558 H GLU 73 HN GLU 73 -15.599 -11.250 4.190 559 HA GLU 73 HA GLU 73 -15.990 -13.519 2.335 560 HB2 GLU 73 2HB GLU 73 -14.863 -11.036 1.216 561 HB3 GLU 73 1HB GLU 73 -16.078 -12.127 0.548 562 HG2 GLU 73 2HG GLU 73 -17.698 -11.208 2.267 563 HG3 GLU 73 1HG GLU 73 -16.490 -9.983 2.642 564 HA PRO 74 HA PRO 74 -11.650 -14.219 3.029 565 HB2 PRO 74 2HB PRO 74 -11.002 -15.673 0.821 566 HB3 PRO 74 1HB PRO 74 -11.981 -16.333 2.147 567 HG2 PRO 74 2HG PRO 74 -12.849 -15.266 -0.496 568 HG3 PRO 74 1HG PRO 74 -13.432 -16.682 0.396 569 HD2 PRO 74 2HD PRO 74 -14.766 -14.288 0.367 570 HD3 PRO 74 1HD PRO 74 -14.845 -15.434 1.725 571 H GLY 75 HN GLY 75 -9.673 -13.278 2.504 572 HA2 GLY 75 2HA GLY 75 -8.113 -12.119 1.217 573 HA3 GLY 75 1HA GLY 75 -9.283 -12.044 -0.087 574 H LYS 76 HN LYS 76 -11.366 -11.007 1.614 575 HA LYS 76 HA LYS 76 -10.728 -8.202 1.406 576 HB2 LYS 76 2HB LYS 76 -12.887 -8.989 0.614 577 HB3 LYS 76 1HB LYS 76 -13.265 -9.636 2.209 578 HG2 LYS 76 2HG LYS 76 -13.351 -7.453 3.180 579 HG3 LYS 76 1HG LYS 76 -12.640 -6.714 1.745 580 HD2 LYS 76 2HD LYS 76 -14.624 -7.305 0.429 581 HD3 LYS 76 1HD LYS 76 -15.334 -8.106 1.832 582 HE2 LYS 76 2HE LYS 76 -14.623 -5.544 2.737 583 HE3 LYS 76 1HE LYS 76 -15.335 -5.289 1.143 584 HZ1 LYS 76 1HZ LYS 76 -17.206 -6.719 1.871 585 HZ2 LYS 76 2HZ LYS 76 -17.073 -5.271 2.748 586 HZ3 LYS 76 3HZ LYS 76 -16.547 -6.734 3.433 587 H TYR 77 HN TYR 77 -9.705 -7.198 3.006 588 HA TYR 77 HA TYR 77 -10.556 -7.791 5.784 589 HB2 TYR 77 2HB TYR 77 -7.806 -6.925 4.882 590 HB3 TYR 77 1HB TYR 77 -8.326 -7.186 6.546 591 HD1 TYR 77 1HD TYR 77 -7.745 -8.847 3.290 592 HD2 TYR 77 2HD TYR 77 -8.446 -9.384 7.479 593 HE1 TYR 77 1HE TYR 77 -7.155 -11.238 3.082 594 HE2 TYR 77 2HE TYR 77 -7.863 -11.782 7.276 595 HH TYR 77 HH TYR 77 -6.917 -13.175 4.129 596 H THR 78 HN THR 78 -10.216 -5.995 7.277 597 HA THR 78 HA THR 78 -10.467 -3.376 5.955 598 HB THR 78 HB THR 78 -12.010 -3.051 8.157 599 HG1 THR 78 1HG THR 78 -12.536 -5.664 7.203 600 HG21 THR 78 1HG2 THR 78 -12.677 -2.397 5.925 601 HG22 THR 78 2HG2 THR 78 -13.944 -3.427 6.590 602 HG23 THR 78 3HG2 THR 78 -12.795 -4.085 5.422 603 H ALA 79 HN ALA 79 -9.779 -1.561 7.271 604 HA ALA 79 HA ALA 79 -8.413 -2.174 9.764 605 HB1 ALA 79 1HB ALA 79 -6.587 -2.720 8.417 606 HB2 ALA 79 2HB ALA 79 -6.305 -1.017 8.780 607 HB3 ALA 79 3HB ALA 79 -6.979 -1.487 7.218 608 H ASP 80 HN ASP 80 -7.517 -0.269 10.784 609 HA ASP 80 HA ASP 80 -7.463 1.985 11.337 610 HB2 ASP 80 2HB ASP 80 -7.648 2.208 8.690 611 HB3 ASP 80 1HB ASP 80 -9.265 2.777 9.103 612 H GLY 81 HN GLY 81 -10.565 0.769 10.087 613 HA2 GLY 81 2HA GLY 81 -11.945 0.800 12.468 614 HA3 GLY 81 1HA GLY 81 -12.137 2.425 11.821 615 H GLY 82 HN GLY 82 -11.780 0.078 9.367 616 HA2 GLY 82 2HA GLY 82 -13.433 -1.236 8.278 617 HA3 GLY 82 1HA GLY 82 -14.674 -0.401 9.198 618 H LYS 83 HN LYS 83 -12.608 1.971 8.151 619 HA LYS 83 HA LYS 83 -14.428 2.677 5.979 620 HB2 LYS 83 2HB LYS 83 -13.082 4.829 6.023 621 HB3 LYS 83 1HB LYS 83 -13.975 4.464 7.500 622 HG2 LYS 83 2HG LYS 83 -12.000 3.672 8.605 623 HG3 LYS 83 1HG LYS 83 -11.078 3.686 7.101 624 HD2 LYS 83 2HD LYS 83 -12.322 6.265 7.892 625 HD3 LYS 83 1HD LYS 83 -10.982 5.706 8.897 626 HE2 LYS 83 2HE LYS 83 -9.505 5.580 7.009 627 HE3 LYS 83 1HE LYS 83 -10.834 5.833 5.877 628 HZ1 LYS 83 1HZ LYS 83 -10.895 8.037 6.293 629 HZ2 LYS 83 2HZ LYS 83 -9.267 7.788 6.703 630 HZ3 LYS 83 3HZ LYS 83 -10.448 7.871 7.920 631 H HIS 84 HN HIS 84 -11.535 1.049 6.375 632 HA HIS 84 HA HIS 84 -10.746 1.557 3.591 633 HB2 HIS 84 2HB HIS 84 -9.210 1.989 5.907 634 HB3 HIS 84 1HB HIS 84 -8.600 0.490 5.204 635 HD1 HIS 84 1HD HIS 84 -9.816 3.762 3.643 636 HD2 HIS 84 2HD HIS 84 -6.558 1.170 3.484 637 HE1 HIS 84 1HE HIS 84 -8.234 4.713 1.915 638 H VAL 85 HN VAL 85 -10.627 -0.218 2.343 639 HA VAL 85 HA VAL 85 -10.918 -2.845 3.673 640 HB VAL 85 HB VAL 85 -11.846 -2.243 0.885 641 HG11 VAL 85 1HG1 VAL 85 -11.562 -4.602 1.574 642 HG12 VAL 85 2HG1 VAL 85 -13.260 -4.211 1.297 643 HG13 VAL 85 3HG1 VAL 85 -12.636 -4.321 2.944 644 HG21 VAL 85 1HG2 VAL 85 -14.136 -2.303 2.373 645 HG22 VAL 85 2HG2 VAL 85 -13.333 -0.814 1.872 646 HG23 VAL 85 3HG2 VAL 85 -13.042 -1.474 3.480 647 H ALA 86 HN ALA 86 -8.946 -3.732 3.627 648 HA ALA 86 HA ALA 86 -7.243 -3.418 1.309 649 HB1 ALA 86 1HB ALA 86 -6.839 -4.229 4.120 650 HB2 ALA 86 2HB ALA 86 -5.847 -3.203 3.082 651 HB3 ALA 86 3HB ALA 86 -5.766 -4.957 2.920 652 H TYR 87 HN TYR 87 -6.476 -5.014 0.044 653 HA TYR 87 HA TYR 87 -7.698 -7.680 0.370 654 HB2 TYR 87 2HB TYR 87 -7.346 -6.089 -2.183 655 HB3 TYR 87 1HB TYR 87 -7.783 -7.795 -2.135 656 HD1 TYR 87 1HD TYR 87 -8.872 -4.394 -1.090 657 HD2 TYR 87 2HD TYR 87 -9.992 -8.498 -1.670 658 HE1 TYR 87 1HE TYR 87 -11.258 -3.784 -0.784 659 HE2 TYR 87 2HE TYR 87 -12.379 -7.889 -1.370 660 HH TYR 87 HH TYR 87 -13.830 -6.068 -1.408 661 H ILE 88 HN ILE 88 -6.232 -9.299 0.338 662 HA ILE 88 HA ILE 88 -3.474 -8.686 -0.517 663 HB ILE 88 HB ILE 88 -4.072 -11.125 1.080 664 HG12 ILE 88 2HG1 ILE 88 -4.195 -8.291 2.148 665 HG13 ILE 88 1HG1 ILE 88 -5.420 -9.552 2.306 666 HG21 ILE 88 1HG2 ILE 88 -1.917 -9.088 1.575 667 HG22 ILE 88 2HG2 ILE 88 -1.790 -10.171 0.187 668 HG23 ILE 88 3HG2 ILE 88 -1.875 -10.836 1.818 669 HD11 ILE 88 1HD1 ILE 88 -3.265 -10.814 3.417 670 HD12 ILE 88 2HD1 ILE 88 -4.444 -9.891 4.347 671 HD13 ILE 88 3HD1 ILE 88 -2.927 -9.139 3.857 672 H ILE 89 HN ILE 89 -2.973 -9.468 -2.479 673 HA ILE 89 HA ILE 89 -4.254 -11.988 -3.325 674 HB ILE 89 HB ILE 89 -3.074 -10.410 -5.469 675 HG12 ILE 89 2HG1 ILE 89 -3.791 -8.525 -4.009 676 HG13 ILE 89 1HG1 ILE 89 -4.729 -8.612 -5.493 677 HG21 ILE 89 1HG2 ILE 89 -5.377 -10.743 -6.421 678 HG22 ILE 89 2HG2 ILE 89 -5.827 -11.547 -4.926 679 HG23 ILE 89 3HG2 ILE 89 -4.569 -12.237 -5.952 680 HD11 ILE 89 1HD1 ILE 89 -5.736 -8.584 -2.878 681 HD12 ILE 89 2HD1 ILE 89 -5.943 -10.245 -3.429 682 HD13 ILE 89 3HD1 ILE 89 -6.637 -8.918 -4.354 683 H ARG 90 HN ARG 90 -2.990 -13.440 -4.534 684 HA ARG 90 HA ARG 90 -0.129 -13.314 -3.869 685 HB2 ARG 90 2HB ARG 90 -0.308 -15.783 -4.721 686 HB3 ARG 90 1HB ARG 90 -0.928 -15.370 -3.123 687 HG2 ARG 90 2HG ARG 90 -3.177 -15.326 -3.886 688 HG3 ARG 90 1HG ARG 90 -2.683 -15.296 -5.579 689 HD2 ARG 90 2HD ARG 90 -3.496 -17.543 -4.822 690 HD3 ARG 90 1HD ARG 90 -1.846 -17.563 -5.438 691 HE ARG 90 HE ARG 90 -1.922 -17.167 -2.597 692 HH11 ARG 90 1HH1 ARG 90 -1.219 -18.904 -1.314 693 HH12 ARG 90 2HH1 ARG 90 -1.100 -20.489 -2.002 694 HH21 ARG 90 1HH2 ARG 90 -2.177 -19.497 -5.144 695 HH22 ARG 90 2HH2 ARG 90 -1.643 -20.825 -4.169 696 H SER 91 HN SER 91 0.855 -12.160 -5.455 697 HA SER 91 HA SER 91 0.270 -11.801 -8.075 698 HB2 SER 91 2HB SER 91 2.360 -10.945 -8.246 699 HB3 SER 91 1HB SER 91 2.467 -11.276 -6.519 700 HG SER 91 HG SER 91 4.129 -12.181 -8.071 701 H HIS 92 HN HIS 92 1.260 -12.822 -10.046 702 HA HIS 92 HA HIS 92 0.742 -15.671 -9.931 703 HB2 HIS 92 2HB HIS 92 0.648 -15.629 -12.233 704 HB3 HIS 92 1HB HIS 92 0.246 -13.947 -11.881 705 HD1 HIS 92 1HD HIS 92 2.181 -12.184 -12.153 706 HD2 HIS 92 2HD HIS 92 3.099 -15.998 -13.556 707 HE1 HIS 92 1HE HIS 92 4.248 -11.944 -13.576 708 H VAL 93 HN VAL 93 3.331 -13.725 -9.241 709 HA VAL 93 HA VAL 93 5.329 -15.726 -10.065 710 HB VAL 93 HB VAL 93 5.791 -12.953 -8.933 711 HG11 VAL 93 1HG1 VAL 93 8.009 -13.342 -10.185 712 HG12 VAL 93 2HG1 VAL 93 7.542 -15.042 -10.240 713 HG13 VAL 93 3HG1 VAL 93 7.769 -14.241 -8.685 714 HG21 VAL 93 1HG2 VAL 93 6.365 -12.474 -11.400 715 HG22 VAL 93 2HG2 VAL 93 4.656 -12.572 -10.975 716 HG23 VAL 93 3HG2 VAL 93 5.449 -13.935 -11.765 717 H LYS 94 HN LYS 94 6.782 -16.569 -8.514 718 HA LYS 94 HA LYS 94 5.616 -17.047 -5.945 719 HB2 LYS 94 2HB LYS 94 7.185 -18.566 -7.382 720 HB3 LYS 94 1HB LYS 94 8.481 -17.664 -6.594 721 HG2 LYS 94 2HG LYS 94 8.222 -19.338 -5.033 722 HG3 LYS 94 1HG LYS 94 7.008 -18.214 -4.423 723 HD2 LYS 94 2HD LYS 94 5.312 -19.406 -5.877 724 HD3 LYS 94 1HD LYS 94 6.549 -20.622 -6.201 725 HE2 LYS 94 2HE LYS 94 5.314 -21.493 -4.368 726 HE3 LYS 94 1HE LYS 94 6.779 -20.827 -3.648 727 HZ1 LYS 94 1HZ LYS 94 5.443 -18.721 -3.343 728 HZ2 LYS 94 2HZ LYS 94 5.024 -20.031 -2.346 729 HZ3 LYS 94 3HZ LYS 94 4.067 -19.647 -3.696 730 H ASP 95 HN ASP 95 6.552 -16.547 -3.899 731 HA ASP 95 HA ASP 95 7.410 -15.090 -2.329 732 HB2 ASP 95 2HB ASP 95 9.484 -15.068 -4.492 733 HB3 ASP 95 1HB ASP 95 9.621 -13.930 -3.160 734 H HIS 96 HN HIS 96 5.457 -14.141 -4.408 735 HA HIS 96 HA HIS 96 5.911 -11.277 -3.941 736 HB2 HIS 96 2HB HIS 96 5.444 -12.612 -6.582 737 HB3 HIS 96 1HB HIS 96 4.925 -10.945 -6.315 738 HD1 HIS 96 1HD HIS 96 8.069 -13.074 -5.949 739 HD2 HIS 96 2HD HIS 96 6.975 -9.097 -6.569 740 HE1 HIS 96 1HE HIS 96 10.226 -11.773 -6.257 741 H TYR 97 HN TYR 97 4.144 -10.072 -3.511 742 HA TYR 97 HA TYR 97 1.488 -11.285 -3.800 743 HB2 TYR 97 2HB TYR 97 2.860 -10.632 -1.267 744 HB3 TYR 97 1HB TYR 97 1.176 -10.120 -1.392 745 HD1 TYR 97 1HD TYR 97 3.426 -13.045 -1.871 746 HD2 TYR 97 2HD TYR 97 -0.581 -11.683 -1.158 747 HE1 TYR 97 1HE TYR 97 2.697 -15.390 -1.488 748 HE2 TYR 97 2HE TYR 97 -1.316 -14.016 -0.779 749 HH TYR 97 HH TYR 97 -0.021 -16.241 0.027 750 H ILE 98 HN ILE 98 -0.130 -9.881 -4.223 751 HA ILE 98 HA ILE 98 0.635 -7.088 -4.641 752 HB ILE 98 HB ILE 98 -1.962 -8.394 -5.464 753 HG12 ILE 98 2HG1 ILE 98 -0.002 -9.731 -6.334 754 HG13 ILE 98 1HG1 ILE 98 -1.022 -9.043 -7.587 755 HG21 ILE 98 1HG2 ILE 98 -1.616 -6.652 -7.373 756 HG22 ILE 98 2HG2 ILE 98 -0.480 -5.908 -6.250 757 HG23 ILE 98 3HG2 ILE 98 -2.169 -6.103 -5.789 758 HD11 ILE 98 1HD1 ILE 98 1.755 -8.734 -7.309 759 HD12 ILE 98 2HD1 ILE 98 1.077 -7.166 -6.875 760 HD13 ILE 98 3HD1 ILE 98 0.703 -7.890 -8.435 761 H PHE 99 HN PHE 99 -0.140 -5.511 -3.336 762 HA PHE 99 HA PHE 99 -2.250 -6.270 -1.423 763 HB2 PHE 99 2HB PHE 99 -0.004 -5.877 -0.400 764 HB3 PHE 99 1HB PHE 99 -0.025 -4.244 -1.065 765 HD1 PHE 99 1HD PHE 99 -1.149 -6.399 1.595 766 HD2 PHE 99 2HD PHE 99 -1.909 -2.674 -0.407 767 HE1 PHE 99 1HE PHE 99 -2.497 -5.638 3.535 768 HE2 PHE 99 2HE PHE 99 -3.258 -1.908 1.531 769 HZ PHE 99 HZ PHE 99 -3.548 -3.389 3.504 770 H TYR 100 HN TYR 100 -4.070 -5.086 -1.535 771 HA TYR 100 HA TYR 100 -3.955 -2.469 -2.905 772 HB2 TYR 100 2HB TYR 100 -4.765 -3.981 -4.553 773 HB3 TYR 100 1HB TYR 100 -5.816 -4.789 -3.393 774 HD1 TYR 100 1HD TYR 100 -5.170 -1.282 -4.573 775 HD2 TYR 100 2HD TYR 100 -8.073 -4.280 -3.554 776 HE1 TYR 100 1HE TYR 100 -6.995 0.281 -5.184 777 HE2 TYR 100 2HE TYR 100 -9.897 -2.716 -4.159 778 HH TYR 100 HH TYR 100 -10.092 -0.649 -5.754 779 H SER 101 HN SER 101 -5.604 -0.985 -2.283 780 HA SER 101 HA SER 101 -7.414 -1.729 -0.159 781 HB2 SER 101 2HB SER 101 -6.374 0.331 1.186 782 HB3 SER 101 1HB SER 101 -5.813 -1.323 1.422 783 HG SER 101 HG SER 101 -4.717 0.499 -0.460 784 H GLU 102 HN GLU 102 -9.045 -0.268 0.206 785 HA GLU 102 HA GLU 102 -9.058 2.200 -1.401 786 HB2 GLU 102 2HB GLU 102 -11.669 1.166 -1.527 787 HB3 GLU 102 1HB GLU 102 -10.523 1.339 -2.858 788 HG2 GLU 102 2HG GLU 102 -9.574 -0.868 -2.328 789 HG3 GLU 102 1HG GLU 102 -10.722 -1.051 -1.005 790 H GLY 103 HN GLY 103 -10.619 3.742 -0.715 791 HA2 GLY 103 2HA GLY 103 -12.336 3.417 1.490 792 HA3 GLY 103 1HA GLY 103 -10.804 4.048 2.076 793 H GLU 104 HN GLU 104 -11.479 6.057 2.650 794 HA GLU 104 HA GLU 104 -12.150 7.870 0.442 795 HB2 GLU 104 2HB GLU 104 -13.835 7.226 2.777 796 HB3 GLU 104 1HB GLU 104 -13.643 8.947 2.440 797 HG2 GLU 104 2HG GLU 104 -14.461 8.690 0.201 798 HG3 GLU 104 1HG GLU 104 -14.390 6.933 0.312 799 H LEU 105 HN LEU 105 -11.167 9.835 0.573 800 HA LEU 105 HA LEU 105 -9.795 10.544 3.083 801 HB2 LEU 105 2HB LEU 105 -8.352 9.516 1.118 802 HB3 LEU 105 1HB LEU 105 -8.497 11.143 0.455 803 HG LEU 105 HG LEU 105 -7.839 11.831 2.943 804 HD11 LEU 105 1HD1 LEU 105 -6.552 9.107 2.574 805 HD12 LEU 105 2HD1 LEU 105 -7.809 9.490 3.751 806 HD13 LEU 105 3HD1 LEU 105 -6.218 10.237 3.887 807 HD21 LEU 105 1HD2 LEU 105 -5.417 11.751 2.172 808 HD22 LEU 105 2HD2 LEU 105 -6.534 12.511 1.036 809 HD23 LEU 105 3HD2 LEU 105 -5.977 10.861 0.757 810 H HIS 106 HN HIS 106 -11.033 12.235 3.678 811 HA HIS 106 HA HIS 106 -11.787 14.395 3.712 812 HB2 HIS 106 2HB HIS 106 -10.563 14.927 1.025 813 HB3 HIS 106 1HB HIS 106 -10.774 16.025 2.387 814 HD1 HIS 106 1HD HIS 106 -9.528 14.507 4.674 815 HD2 HIS 106 2HD HIS 106 -7.815 14.600 0.874 816 HE1 HIS 106 1HE HIS 106 -7.070 13.974 4.982 817 H GLY 107 HN GLY 107 -13.272 12.209 2.537 818 HA2 GLY 107 2HA GLY 107 -15.423 12.062 1.677 819 HA3 GLY 107 1HA GLY 107 -15.349 13.778 1.285 820 H LYS 108 HN LYS 108 -12.721 11.804 0.219 821 HA LYS 108 HA LYS 108 -13.886 11.638 -2.490 822 HB2 LYS 108 2HB LYS 108 -11.049 12.426 -1.804 823 HB3 LYS 108 1HB LYS 108 -11.717 12.272 -3.430 824 HG2 LYS 108 2HG LYS 108 -13.236 14.103 -3.078 825 HG3 LYS 108 1HG LYS 108 -12.875 14.152 -1.355 826 HD2 LYS 108 2HD LYS 108 -11.505 15.866 -2.036 827 HD3 LYS 108 1HD LYS 108 -10.385 14.534 -2.296 828 HE2 LYS 108 2HE LYS 108 -12.208 15.747 -4.395 829 HE3 LYS 108 1HE LYS 108 -10.468 16.000 -4.274 830 HZ1 LYS 108 1HZ LYS 108 -11.866 13.439 -4.808 831 HZ2 LYS 108 2HZ LYS 108 -10.200 13.564 -4.505 832 HZ3 LYS 108 3HZ LYS 108 -10.876 14.306 -5.877 833 HA PRO 109 HA PRO 109 -12.561 7.415 -2.107 834 HB2 PRO 109 2HB PRO 109 -12.237 6.723 -4.741 835 HB3 PRO 109 1HB PRO 109 -13.819 6.899 -3.960 836 HG2 PRO 109 2HG PRO 109 -12.362 8.792 -5.730 837 HG3 PRO 109 1HG PRO 109 -14.091 8.411 -5.662 838 HD2 PRO 109 2HD PRO 109 -13.026 10.672 -4.547 839 HD3 PRO 109 1HD PRO 109 -14.483 9.874 -3.914 840 H VAL 110 HN VAL 110 -10.653 6.511 -1.616 841 HA VAL 110 HA VAL 110 -8.246 7.345 -3.103 842 HB VAL 110 HB VAL 110 -8.002 8.476 -1.061 843 HG11 VAL 110 1HG1 VAL 110 -8.414 7.174 1.130 844 HG12 VAL 110 2HG1 VAL 110 -9.279 6.015 0.121 845 HG13 VAL 110 3HG1 VAL 110 -9.827 7.687 0.208 846 HG21 VAL 110 1HG2 VAL 110 -6.111 6.830 -1.673 847 HG22 VAL 110 2HG2 VAL 110 -6.746 5.814 -0.374 848 HG23 VAL 110 3HG2 VAL 110 -6.144 7.430 -0.015 849 H ARG 111 HN ARG 111 -6.821 5.760 -3.616 850 HA ARG 111 HA ARG 111 -7.308 3.065 -2.568 851 HB2 ARG 111 2HB ARG 111 -6.567 2.869 -5.324 852 HB3 ARG 111 1HB ARG 111 -8.031 2.282 -4.534 853 HG2 ARG 111 2HG ARG 111 -9.039 4.538 -4.747 854 HG3 ARG 111 1HG ARG 111 -7.588 5.093 -5.582 855 HD2 ARG 111 2HD ARG 111 -8.304 4.227 -7.529 856 HD3 ARG 111 1HD ARG 111 -8.571 2.653 -6.786 857 HE ARG 111 HE ARG 111 -10.828 3.189 -6.570 858 HH11 ARG 111 1HH1 ARG 111 -12.626 4.527 -6.943 859 HH12 ARG 111 2HH1 ARG 111 -12.389 6.180 -7.396 860 HH21 ARG 111 1HH2 ARG 111 -8.928 5.981 -7.330 861 HH22 ARG 111 2HH2 ARG 111 -10.295 7.004 -7.616 862 H GLY 112 HN GLY 112 -5.446 1.601 -3.816 863 HA2 GLY 112 2HA GLY 112 -2.963 2.731 -4.350 864 HA3 GLY 112 1HA GLY 112 -3.024 2.483 -2.616 865 H VAL 113 HN VAL 113 -1.787 1.198 -5.209 866 HA VAL 113 HA VAL 113 -2.229 -1.606 -4.395 867 HB VAL 113 HB VAL 113 -0.949 -0.858 -7.000 868 HG11 VAL 113 1HG1 VAL 113 -1.541 -3.019 -7.607 869 HG12 VAL 113 2HG1 VAL 113 -2.968 -3.018 -6.560 870 HG13 VAL 113 3HG1 VAL 113 -1.364 -3.217 -5.856 871 HG21 VAL 113 1HG2 VAL 113 -3.160 -0.769 -8.082 872 HG22 VAL 113 2HG2 VAL 113 -3.003 0.523 -6.891 873 HG23 VAL 113 3HG2 VAL 113 -3.942 -0.915 -6.509 874 H LYS 114 HN LYS 114 -0.488 -2.698 -3.650 875 HA LYS 114 HA LYS 114 2.179 -1.505 -4.096 876 HB2 LYS 114 2HB LYS 114 1.758 -2.790 -1.468 877 HB3 LYS 114 1HB LYS 114 2.647 -1.329 -1.881 878 HG2 LYS 114 2HG LYS 114 -0.394 -1.466 -1.786 879 HG3 LYS 114 1HG LYS 114 0.612 -0.911 -0.454 880 HD2 LYS 114 2HD LYS 114 1.429 0.434 -2.861 881 HD3 LYS 114 1HD LYS 114 -0.317 0.605 -2.656 882 HE2 LYS 114 2HE LYS 114 0.967 2.398 -1.513 883 HE3 LYS 114 1HE LYS 114 -0.037 1.451 -0.418 884 HZ1 LYS 114 1HZ LYS 114 2.834 0.881 -0.901 885 HZ2 LYS 114 2HZ LYS 114 1.836 0.222 0.305 886 HZ3 LYS 114 3HZ LYS 114 2.281 1.859 0.370 887 H LEU 115 HN LEU 115 3.719 -2.952 -4.680 888 HA LEU 115 HA LEU 115 2.982 -5.805 -4.724 889 HB2 LEU 115 2HB LEU 115 3.618 -4.992 -6.901 890 HB3 LEU 115 1HB LEU 115 5.033 -4.178 -6.250 891 HG LEU 115 HG LEU 115 6.088 -6.321 -5.740 892 HD11 LEU 115 1HD1 LEU 115 4.755 -8.368 -6.763 893 HD12 LEU 115 2HD1 LEU 115 3.363 -7.342 -6.425 894 HD13 LEU 115 3HD1 LEU 115 4.436 -7.827 -5.114 895 HD21 LEU 115 1HD2 LEU 115 6.106 -7.304 -8.105 896 HD22 LEU 115 2HD2 LEU 115 6.529 -5.597 -7.967 897 HD23 LEU 115 3HD2 LEU 115 4.921 -6.064 -8.518 898 H VAL 116 HN VAL 116 3.903 -7.132 -3.288 899 HA VAL 116 HA VAL 116 6.396 -6.210 -2.026 900 HB VAL 116 HB VAL 116 5.725 -7.106 0.061 901 HG11 VAL 116 1HG1 VAL 116 4.259 -5.442 0.507 902 HG12 VAL 116 2HG1 VAL 116 3.031 -6.152 -0.543 903 HG13 VAL 116 3HG1 VAL 116 4.275 -5.106 -1.220 904 HG21 VAL 116 1HG2 VAL 116 3.603 -8.335 0.364 905 HG22 VAL 116 2HG2 VAL 116 4.666 -9.200 -0.734 906 HG23 VAL 116 3HG2 VAL 116 3.320 -8.271 -1.368 907 H GLY 117 HN GLY 117 8.128 -7.532 -2.027 908 HA2 GLY 117 2HA GLY 117 7.757 -10.132 -3.341 909 HA3 GLY 117 1HA GLY 117 9.263 -9.258 -3.212 910 H ARG 118 HN ARG 118 10.630 -10.380 -2.064 911 HA ARG 118 HA ARG 118 10.075 -11.065 0.672 912 HB2 ARG 118 2HB ARG 118 9.147 -13.038 -0.552 913 HB3 ARG 118 1HB ARG 118 10.745 -13.310 -1.242 914 HG2 ARG 118 2HG ARG 118 11.423 -14.374 0.615 915 HG3 ARG 118 1HG ARG 118 10.986 -12.987 1.611 916 HD2 ARG 118 2HD ARG 118 8.711 -13.757 1.814 917 HD3 ARG 118 1HD ARG 118 8.987 -15.040 0.638 918 HE ARG 118 HE ARG 118 10.825 -15.367 2.744 919 HH11 ARG 118 1HH1 ARG 118 10.406 -16.918 4.344 920 HH12 ARG 118 2HH1 ARG 118 8.787 -17.481 4.596 921 HH21 ARG 118 1HH2 ARG 118 7.426 -15.485 2.107 922 HH22 ARG 118 2HH2 ARG 118 7.100 -16.669 3.329 923 H ASP 119 HN ASP 119 12.126 -10.638 -2.047 924 HA ASP 119 HA ASP 119 14.423 -10.371 -0.260 925 HB2 ASP 119 2HB ASP 119 14.161 -12.428 -2.402 926 HB3 ASP 119 1HB ASP 119 15.732 -11.662 -2.176 927 HA PRO 120 HA PRO 120 15.544 -6.790 -2.589 928 HB2 PRO 120 2HB PRO 120 18.113 -8.161 -3.250 929 HB3 PRO 120 1HB PRO 120 17.840 -6.551 -2.563 930 HG2 PRO 120 2HG PRO 120 18.637 -8.701 -1.111 931 HG3 PRO 120 1HG PRO 120 17.738 -7.332 -0.442 932 HD2 PRO 120 2HD PRO 120 16.842 -10.088 -0.845 933 HD3 PRO 120 1HD PRO 120 16.068 -8.779 0.072 934 H LYS 121 HN LYS 121 15.954 -9.988 -3.939 935 HA LYS 121 HA LYS 121 16.464 -9.407 -6.619 936 HB2 LYS 121 2HB LYS 121 15.468 -11.682 -5.093 937 HB3 LYS 121 1HB LYS 121 14.743 -11.586 -6.698 938 HG2 LYS 121 2HG LYS 121 16.929 -11.506 -7.745 939 HG3 LYS 121 1HG LYS 121 17.722 -11.405 -6.173 940 HD2 LYS 121 2HD LYS 121 17.261 -13.633 -5.646 941 HD3 LYS 121 1HD LYS 121 15.905 -13.721 -6.770 942 HE2 LYS 121 2HE LYS 121 17.346 -13.826 -8.662 943 HE3 LYS 121 1HE LYS 121 18.747 -13.322 -7.718 944 HZ1 LYS 121 1HZ LYS 121 19.067 -15.384 -6.936 945 HZ2 LYS 121 2HZ LYS 121 18.156 -15.865 -8.287 946 HZ3 LYS 121 3HZ LYS 121 17.412 -15.709 -6.770 947 H ASN 122 HN ASN 122 15.198 -8.953 -8.389 948 HA ASN 122 HA ASN 122 12.373 -8.251 -7.848 949 HB2 ASN 122 2HB ASN 122 12.623 -6.202 -8.778 950 HB3 ASN 122 1HB ASN 122 14.326 -6.431 -8.382 951 HD21 ASN 122 1HD2 ASN 122 15.725 -7.359 -10.164 952 HD22 ASN 122 2HD2 ASN 122 15.289 -7.063 -11.777 953 H ASN 123 HN ASN 123 10.880 -8.812 -9.370 954 HA ASN 123 HA ASN 123 11.868 -10.341 -11.708 955 HB2 ASN 123 2HB ASN 123 9.660 -10.913 -9.763 956 HB3 ASN 123 1HB ASN 123 9.533 -11.497 -11.422 957 HD21 ASN 123 1HD2 ASN 123 11.713 -12.633 -12.195 958 HD22 ASN 123 2HD2 ASN 123 12.421 -13.680 -11.062 959 H LEU 124 HN LEU 124 11.685 -8.780 -13.257 960 HA LEU 124 HA LEU 124 9.843 -6.785 -13.501 961 HB2 LEU 124 2HB LEU 124 10.389 -6.621 -15.823 962 HB3 LEU 124 1HB LEU 124 11.842 -7.086 -14.961 963 HG LEU 124 HG LEU 124 11.776 -8.401 -16.949 964 HD11 LEU 124 1HD1 LEU 124 12.253 -9.562 -14.701 965 HD12 LEU 124 2HD1 LEU 124 11.949 -10.577 -16.106 966 HD13 LEU 124 3HD1 LEU 124 10.680 -10.323 -14.916 967 HD21 LEU 124 1HD2 LEU 124 9.240 -9.818 -16.433 968 HD22 LEU 124 2HD2 LEU 124 9.927 -9.248 -17.948 969 HD23 LEU 124 3HD2 LEU 124 9.053 -8.130 -16.907 970 H GLU 125 HN GLU 125 9.322 -10.146 -13.818 971 HA GLU 125 HA GLU 125 6.947 -9.982 -15.406 972 HB2 GLU 125 2HB GLU 125 8.599 -12.037 -14.522 973 HB3 GLU 125 1HB GLU 125 7.102 -12.287 -13.624 974 HG2 GLU 125 2HG GLU 125 6.847 -13.484 -15.678 975 HG3 GLU 125 1HG GLU 125 5.873 -12.025 -15.837 976 H ALA 126 HN ALA 126 7.750 -10.005 -11.990 977 HA ALA 126 HA ALA 126 5.058 -10.170 -11.049 978 HB1 ALA 126 1HB ALA 126 7.338 -10.597 -9.796 979 HB2 ALA 126 2HB ALA 126 5.960 -9.935 -8.916 980 HB3 ALA 126 3HB ALA 126 7.248 -8.866 -9.467 981 H LEU 127 HN LEU 127 7.301 -7.546 -11.854 982 HA LEU 127 HA LEU 127 5.672 -5.455 -10.834 983 HB2 LEU 127 2HB LEU 127 8.106 -5.709 -12.417 984 HB3 LEU 127 1HB LEU 127 7.093 -4.388 -12.987 985 HG LEU 127 HG LEU 127 7.709 -4.728 -10.049 986 HD11 LEU 127 1HD1 LEU 127 9.472 -2.903 -10.558 987 HD12 LEU 127 2HD1 LEU 127 9.383 -3.475 -12.224 988 HD13 LEU 127 3HD1 LEU 127 9.890 -4.573 -10.941 989 HD21 LEU 127 1HD2 LEU 127 6.916 -2.539 -9.866 990 HD22 LEU 127 2HD2 LEU 127 5.896 -3.156 -11.165 991 HD23 LEU 127 3HD2 LEU 127 7.297 -2.152 -11.543 992 H GLU 128 HN GLU 128 5.820 -7.145 -13.921 993 HA GLU 128 HA GLU 128 4.053 -5.400 -15.309 994 HB2 GLU 128 2HB GLU 128 5.621 -7.491 -16.055 995 HB3 GLU 128 1HB GLU 128 4.036 -8.264 -16.045 996 HG2 GLU 128 2HG GLU 128 4.192 -7.393 -18.224 997 HG3 GLU 128 1HG GLU 128 3.248 -6.175 -17.370 998 H ASP 129 HN ASP 129 3.619 -8.390 -13.462 999 HA ASP 129 HA ASP 129 0.835 -8.646 -13.902 1000 HB2 ASP 129 2HB ASP 129 2.556 -10.317 -12.835 1001 HB3 ASP 129 1HB ASP 129 2.116 -9.510 -11.330 1002 H PHE 130 HN PHE 130 2.741 -6.974 -11.442 1003 HA PHE 130 HA PHE 130 0.520 -6.109 -9.897 1004 HB2 PHE 130 2HB PHE 130 2.598 -6.016 -8.813 1005 HB3 PHE 130 1HB PHE 130 3.397 -5.285 -10.204 1006 HD1 PHE 130 1HD PHE 130 1.183 -4.721 -7.350 1007 HD2 PHE 130 2HD PHE 130 3.216 -2.900 -10.651 1008 HE1 PHE 130 1HE PHE 130 0.755 -2.505 -6.388 1009 HE2 PHE 130 2HE PHE 130 2.781 -0.666 -9.677 1010 HZ PHE 130 HZ PHE 130 1.546 -0.458 -7.540 1011 H GLU 131 HN GLU 131 2.487 -4.660 -12.444 1012 HA GLU 131 HA GLU 131 1.118 -2.211 -12.638 1013 HB2 GLU 131 2HB GLU 131 3.337 -2.668 -13.691 1014 HB3 GLU 131 1HB GLU 131 2.530 -3.717 -14.855 1015 HG2 GLU 131 2HG GLU 131 1.320 -1.918 -15.812 1016 HG3 GLU 131 1HG GLU 131 1.675 -0.851 -14.456 1017 H LYS 132 HN LYS 132 0.176 -5.387 -13.329 1018 HA LYS 132 HA LYS 132 -1.745 -4.651 -15.394 1019 HB2 LYS 132 2HB LYS 132 -0.561 -7.009 -14.978 1020 HB3 LYS 132 1HB LYS 132 -1.920 -7.224 -13.876 1021 HG2 LYS 132 2HG LYS 132 -2.750 -8.056 -15.917 1022 HG3 LYS 132 1HG LYS 132 -3.393 -6.416 -15.847 1023 HD2 LYS 132 2HD LYS 132 -2.473 -6.136 -17.894 1024 HD3 LYS 132 1HD LYS 132 -0.922 -6.061 -17.060 1025 HE2 LYS 132 2HE LYS 132 -0.715 -8.531 -17.278 1026 HE3 LYS 132 1HE LYS 132 -2.230 -8.558 -18.180 1027 HZ1 LYS 132 1HZ LYS 132 -0.660 -8.451 -19.841 1028 HZ2 LYS 132 2HZ LYS 132 0.377 -7.434 -18.961 1029 HZ3 LYS 132 3HZ LYS 132 -1.050 -6.814 -19.644 1030 H ALA 133 HN ALA 133 -1.566 -5.489 -11.974 1031 HA ALA 133 HA ALA 133 -4.327 -5.329 -11.413 1032 HB1 ALA 133 1HB ALA 133 -2.726 -6.265 -9.801 1033 HB2 ALA 133 2HB ALA 133 -3.634 -4.945 -9.067 1034 HB3 ALA 133 3HB ALA 133 -1.979 -4.680 -9.611 1035 H ALA 134 HN ALA 134 -1.781 -2.843 -11.211 1036 HA ALA 134 HA ALA 134 -3.467 -0.750 -10.406 1037 HB1 ALA 134 1HB ALA 134 -1.423 0.209 -10.353 1038 HB2 ALA 134 2HB ALA 134 -1.537 0.374 -12.106 1039 HB3 ALA 134 3HB ALA 134 -0.755 -1.041 -11.403 1040 H GLY 135 HN GLY 135 -2.487 -1.957 -13.589 1041 HA2 GLY 135 2HA GLY 135 -3.888 -0.116 -15.149 1042 HA3 GLY 135 1HA GLY 135 -3.554 -1.779 -15.630 1043 H ALA 136 HN ALA 136 -4.882 -3.311 -14.001 1044 HA ALA 136 HA ALA 136 -7.525 -3.282 -14.845 1045 HB1 ALA 136 1HB ALA 136 -6.401 -5.286 -13.964 1046 HB2 ALA 136 2HB ALA 136 -7.920 -4.986 -13.119 1047 HB3 ALA 136 3HB ALA 136 -6.388 -4.567 -12.354 1048 H ARG 137 HN ARG 137 -6.015 -1.423 -12.362 1049 HA ARG 137 HA ARG 137 -8.665 -0.684 -11.286 1050 HB2 ARG 137 2HB ARG 137 -5.954 -0.904 -10.063 1051 HB3 ARG 137 1HB ARG 137 -7.052 0.333 -9.446 1052 HG2 ARG 137 2HG ARG 137 -8.628 -1.221 -8.717 1053 HG3 ARG 137 1HG ARG 137 -8.086 -2.455 -9.852 1054 HD2 ARG 137 2HD ARG 137 -6.042 -1.628 -7.890 1055 HD3 ARG 137 1HD ARG 137 -7.454 -2.411 -7.190 1056 HE ARG 137 HE ARG 137 -6.212 -3.743 -9.482 1057 HH11 ARG 137 1HH1 ARG 137 -5.543 -5.867 -9.063 1058 HH12 ARG 137 2HH1 ARG 137 -5.505 -6.454 -7.434 1059 HH21 ARG 137 1HH2 ARG 137 -6.633 -3.489 -6.048 1060 HH22 ARG 137 2HH2 ARG 137 -6.122 -5.112 -5.733 1061 H GLY 138 HN GLY 138 -6.527 0.228 -13.532 1062 HA2 GLY 138 2HA GLY 138 -6.232 2.188 -14.714 1063 HA3 GLY 138 1HA GLY 138 -7.540 2.873 -13.756 1064 H LEU 139 HN LEU 139 -4.559 1.558 -12.467 1065 HA LEU 139 HA LEU 139 -3.736 4.275 -11.660 1066 HB2 LEU 139 2HB LEU 139 -3.084 1.822 -10.047 1067 HB3 LEU 139 1HB LEU 139 -3.107 3.507 -9.540 1068 HG LEU 139 HG LEU 139 -5.560 1.898 -10.306 1069 HD11 LEU 139 1HD1 LEU 139 -4.300 2.601 -7.660 1070 HD12 LEU 139 2HD1 LEU 139 -4.842 1.025 -8.237 1071 HD13 LEU 139 3HD1 LEU 139 -6.024 2.257 -7.794 1072 HD21 LEU 139 1HD2 LEU 139 -5.041 4.756 -9.781 1073 HD22 LEU 139 2HD2 LEU 139 -6.367 4.080 -8.837 1074 HD23 LEU 139 3HD2 LEU 139 -6.405 3.993 -10.597 1075 H SER 140 HN SER 140 -3.065 2.517 -13.978 1076 HA SER 140 HA SER 140 -0.286 1.779 -13.493 1077 HB2 SER 140 2HB SER 140 -0.363 1.059 -15.885 1078 HB3 SER 140 1HB SER 140 -1.598 0.295 -14.885 1079 HG SER 140 HG SER 140 -1.964 2.619 -16.482 1080 H THR 141 HN THR 141 -1.233 4.625 -13.394 1081 HA THR 141 HA THR 141 0.887 5.713 -15.086 1082 HB THR 141 HB THR 141 -0.803 7.580 -15.746 1083 HG1 THR 141 1HG THR 141 -2.920 6.781 -15.904 1084 HG21 THR 141 1HG2 THR 141 0.259 5.985 -17.322 1085 HG22 THR 141 2HG2 THR 141 -1.408 6.339 -17.772 1086 HG23 THR 141 3HG2 THR 141 -1.016 4.816 -16.976 1087 H GLU 142 HN GLU 142 -0.287 5.413 -12.142 1088 HA GLU 142 HA GLU 142 -0.491 8.111 -11.204 1089 HB2 GLU 142 2HB GLU 142 0.229 5.672 -9.572 1090 HB3 GLU 142 1HB GLU 142 -0.484 7.172 -8.993 1091 HG2 GLU 142 2HG GLU 142 -1.754 5.032 -10.688 1092 HG3 GLU 142 1HG GLU 142 -2.300 5.654 -9.138 1093 H SER 143 HN SER 143 1.317 7.283 -8.862 1094 HA SER 143 HA SER 143 3.630 8.738 -9.812 1095 HB2 SER 143 2HB SER 143 2.763 7.688 -7.132 1096 HB3 SER 143 1HB SER 143 4.380 8.344 -7.382 1097 HG SER 143 HG SER 143 1.961 9.614 -7.207 1098 H ILE 144 HN ILE 144 2.846 5.400 -8.909 1099 HA ILE 144 HA ILE 144 4.185 3.587 -8.670 1100 HB ILE 144 HB ILE 144 4.615 4.592 -11.443 1101 HG12 ILE 144 2HG1 ILE 144 2.355 3.784 -10.358 1102 HG13 ILE 144 1HG1 ILE 144 2.786 3.260 -11.985 1103 HG21 ILE 144 1HG2 ILE 144 6.474 3.171 -11.179 1104 HG22 ILE 144 2HG2 ILE 144 5.236 2.100 -11.833 1105 HG23 ILE 144 3HG2 ILE 144 5.594 2.084 -10.106 1106 HD11 ILE 144 1HD1 ILE 144 2.018 1.454 -10.308 1107 HD12 ILE 144 2HD1 ILE 144 3.601 1.652 -9.564 1108 HD13 ILE 144 3HD1 ILE 144 3.472 1.131 -11.244 1109 H LEU 145 HN LEU 145 5.663 3.759 -7.206 1110 HA LEU 145 HA LEU 145 8.360 4.483 -8.112 1111 HB2 LEU 145 2HB LEU 145 7.485 6.328 -6.790 1112 HB3 LEU 145 1HB LEU 145 7.043 5.220 -5.496 1113 HG LEU 145 HG LEU 145 9.435 4.650 -5.169 1114 HD11 LEU 145 1HD1 LEU 145 10.670 4.945 -7.076 1115 HD12 LEU 145 2HD1 LEU 145 10.925 6.548 -6.391 1116 HD13 LEU 145 3HD1 LEU 145 9.689 6.308 -7.623 1117 HD21 LEU 145 1HD2 LEU 145 10.108 6.752 -4.168 1118 HD22 LEU 145 2HD2 LEU 145 8.367 6.562 -3.954 1119 HD23 LEU 145 3HD2 LEU 145 8.989 7.644 -5.199 1120 H ILE 146 HN ILE 146 10.008 3.298 -7.260 1121 HA ILE 146 HA ILE 146 9.248 0.869 -5.764 1122 HB ILE 146 HB ILE 146 11.622 1.271 -7.597 1123 HG12 ILE 146 2HG1 ILE 146 9.119 -0.360 -8.104 1124 HG13 ILE 146 1HG1 ILE 146 9.337 1.279 -8.715 1125 HG21 ILE 146 1HG2 ILE 146 12.377 -0.578 -6.538 1126 HG22 ILE 146 2HG2 ILE 146 11.046 -1.447 -7.298 1127 HG23 ILE 146 3HG2 ILE 146 10.856 -0.791 -5.673 1128 HD11 ILE 146 1HD1 ILE 146 11.202 0.643 -10.054 1129 HD12 ILE 146 2HD1 ILE 146 9.989 -0.611 -10.311 1130 HD13 ILE 146 3HD1 ILE 146 11.354 -0.912 -9.235 1131 HA PRO 147 HA PRO 147 11.998 3.448 -3.084 1132 HB2 PRO 147 2HB PRO 147 10.844 2.792 -0.699 1133 HB3 PRO 147 1HB PRO 147 10.274 4.110 -1.739 1134 HG2 PRO 147 2HG PRO 147 9.191 1.377 -1.385 1135 HG3 PRO 147 1HG PRO 147 8.333 2.905 -1.637 1136 HD2 PRO 147 2HD PRO 147 8.747 1.034 -3.603 1137 HD3 PRO 147 1HD PRO 147 8.508 2.764 -3.934 1138 H ARG 148 HN ARG 148 13.820 2.315 -3.298 1139 HA ARG 148 HA ARG 148 14.418 -0.308 -2.906 1140 HB2 ARG 148 2HB ARG 148 16.026 1.422 -3.688 1141 HB3 ARG 148 1HB ARG 148 16.164 2.008 -2.034 1142 HG2 ARG 148 2HG ARG 148 18.023 0.497 -2.533 1143 HG3 ARG 148 1HG ARG 148 16.974 -0.233 -1.322 1144 HD2 ARG 148 2HD ARG 148 16.188 -1.845 -2.775 1145 HD3 ARG 148 1HD ARG 148 16.392 -0.822 -4.193 1146 HE ARG 148 HE ARG 148 18.943 -1.395 -3.169 1147 HH11 ARG 148 1HH1 ARG 148 20.184 -3.037 -4.124 1148 HH12 ARG 148 2HH1 ARG 148 19.406 -4.268 -5.061 1149 HH21 ARG 148 1HH2 ARG 148 16.220 -2.980 -4.597 1150 HH22 ARG 148 2HH2 ARG 148 17.161 -4.236 -5.329 1151 H GLN 149 HN GLN 149 14.975 -1.636 -1.211 1152 HA GLN 149 HA GLN 149 13.670 -1.254 1.251 1153 HB2 GLN 149 2HB GLN 149 16.035 -3.085 0.912 1154 HB3 GLN 149 1HB GLN 149 14.592 -3.319 1.897 1155 HG2 GLN 149 2HG GLN 149 14.814 -3.432 -1.117 1156 HG3 GLN 149 1HG GLN 149 14.317 -4.720 -0.023 1157 HE21 GLN 149 1HE2 GLN 149 12.977 -2.789 -2.261 1158 HE22 GLN 149 2HE2 GLN 149 11.455 -2.504 -1.565 1159 H SER 150 HN SER 150 14.178 0.090 2.839 1160 HA SER 150 HA SER 150 17.031 0.714 3.330 1161 HB2 SER 150 2HB SER 150 15.851 2.666 2.430 1162 HB3 SER 150 1HB SER 150 14.628 2.521 3.690 1163 HG SER 150 HG SER 150 17.414 2.912 4.106 1164 H GLU 151 HN GLU 151 17.469 -0.645 4.983 1165 HA GLU 151 HA GLU 151 16.104 -1.791 6.924 1166 HB2 GLU 151 2HB GLU 151 18.745 -1.246 6.604 1167 HB3 GLU 151 1HB GLU 151 18.392 -0.332 8.071 1168 HG2 GLU 151 2HG GLU 151 17.860 -3.277 7.597 1169 HG3 GLU 151 1HG GLU 151 19.036 -2.582 8.711 1170 H THR 152 HN THR 152 16.748 1.690 6.903 1171 HA THR 152 HA THR 152 14.504 2.193 8.595 1172 HB THR 152 HB THR 152 15.973 1.493 10.375 1173 HG1 THR 152 1HG THR 152 14.742 3.445 10.646 1174 HG21 THR 152 1HG2 THR 152 18.056 3.434 10.242 1175 HG22 THR 152 2HG2 THR 152 17.973 2.628 8.676 1176 HG23 THR 152 3HG2 THR 152 18.198 1.678 10.146 1177 H CYS 153 HN CYS 153 13.925 4.375 8.606 1178 HA CYS 153 HA CYS 153 14.744 5.940 6.442 1179 HB2 CYS 153 2HB CYS 153 13.695 7.843 7.928 1180 HB3 CYS 153 1HB CYS 153 12.673 6.572 7.258 1181 H SER 154 HN SER 154 16.614 6.886 6.103 1182 HA SER 154 HA SER 154 17.912 8.416 8.218 1183 HB2 SER 154 2HB SER 154 19.048 5.910 7.042 1184 HB3 SER 154 1HB SER 154 20.128 7.220 7.508 1185 HG SER 154 HG SER 154 18.385 5.668 9.081 1186 HA PRO 155 HA PRO 155 18.420 10.255 4.027 1187 HB2 PRO 155 2HB PRO 155 17.771 12.819 4.689 1188 HB3 PRO 155 1HB PRO 155 16.559 11.582 4.317 1189 HG2 PRO 155 2HG PRO 155 17.377 12.697 6.926 1190 HG3 PRO 155 1HG PRO 155 15.801 12.092 6.394 1191 HD2 PRO 155 2HD PRO 155 17.641 10.693 7.987 1192 HD3 PRO 155 1HD PRO 155 16.253 9.980 7.139 1193 H GLY 156 HN GLY 156 19.438 12.879 3.889 1194 HA2 GLY 156 2HA GLY 156 21.274 14.228 4.555 1195 HA3 GLY 156 1HA GLY 156 21.859 12.900 5.551 1196 H SER 157 HN SER 157 20.800 12.144 2.360 1197 HA SER 157 HA SER 157 21.907 11.461 0.466 1198 HB2 SER 157 2HB SER 157 23.562 12.837 -0.317 1199 HB3 SER 157 1HB SER 157 22.977 13.860 0.991 1200 HG SER 157 HG SER 157 24.912 13.686 1.774 1201 H ASP 158 HN ASP 158 24.249 10.528 -0.186 1202 HA ASP 158 HA ASP 158 25.652 8.723 0.043 1203 HB2 ASP 158 2HB ASP 158 26.196 10.448 2.128 1204 HB3 ASP 158 1HB ASP 158 25.943 8.911 2.950 Start of MODEL 4 1 H1 HIS 1 1HT HIS 1 -11.705 -20.164 -10.852 2 H2 HIS 1 2HT HIS 1 -12.067 -20.304 -9.198 3 H3 HIS 1 3HT HIS 1 -10.450 -20.280 -9.718 4 HA HIS 1 HA HIS 1 -10.703 -18.004 -10.490 5 HB2 HIS 1 2HB HIS 1 -13.489 -18.345 -9.339 6 HB3 HIS 1 1HB HIS 1 -12.796 -16.804 -9.848 7 HD1 HIS 1 1HD HIS 1 -12.053 -16.694 -12.455 8 HD2 HIS 1 2HD HIS 1 -14.613 -19.814 -11.414 9 HE1 HIS 1 1HE HIS 1 -13.039 -17.565 -14.619 10 H HIS 2 HN HIS 2 -9.219 -19.060 -8.611 11 HA HIS 2 HA HIS 2 -9.988 -17.886 -6.023 12 HB2 HIS 2 2HB HIS 2 -7.973 -19.972 -6.837 13 HB3 HIS 2 1HB HIS 2 -7.898 -19.185 -5.259 14 HD1 HIS 2 1HD HIS 2 -8.945 -20.700 -3.583 15 HD2 HIS 2 2HD HIS 2 -11.056 -20.709 -7.179 16 HE1 HIS 2 1HE HIS 2 -10.964 -22.186 -3.225 17 H LEU 3 HN LEU 3 -9.477 -15.872 -7.612 18 HA LEU 3 HA LEU 3 -6.632 -15.192 -7.522 19 HB2 LEU 3 2HB LEU 3 -9.050 -13.859 -8.746 20 HB3 LEU 3 1HB LEU 3 -7.464 -13.086 -8.691 21 HG LEU 3 HG LEU 3 -7.415 -15.866 -9.669 22 HD11 LEU 3 1HD1 LEU 3 -8.866 -13.679 -11.189 23 HD12 LEU 3 2HD1 LEU 3 -9.513 -15.246 -10.701 24 HD13 LEU 3 3HD1 LEU 3 -8.261 -15.157 -11.939 25 HD21 LEU 3 1HD2 LEU 3 -6.399 -13.264 -10.854 26 HD22 LEU 3 2HD2 LEU 3 -5.865 -14.893 -11.268 27 HD23 LEU 3 3HD2 LEU 3 -5.506 -14.225 -9.676 28 H LEU 4 HN LEU 4 -7.996 -15.478 -5.016 29 HA LEU 4 HA LEU 4 -7.401 -12.857 -3.902 30 HB2 LEU 4 2HB LEU 4 -10.136 -13.838 -4.247 31 HB3 LEU 4 1HB LEU 4 -9.759 -13.414 -2.578 32 HG LEU 4 HG LEU 4 -9.111 -11.583 -4.897 33 HD11 LEU 4 1HD1 LEU 4 -11.611 -11.731 -3.192 34 HD12 LEU 4 2HD1 LEU 4 -11.508 -11.889 -4.945 35 HD13 LEU 4 3HD1 LEU 4 -11.181 -10.334 -4.180 36 HD21 LEU 4 1HD2 LEU 4 -9.733 -10.470 -2.257 37 HD22 LEU 4 2HD2 LEU 4 -8.349 -10.161 -3.303 38 HD23 LEU 4 3HD2 LEU 4 -8.345 -11.556 -2.227 39 H ALA 5 HN ALA 5 -7.400 -12.906 -1.505 40 HA ALA 5 HA ALA 5 -5.995 -15.159 -0.533 41 HB1 ALA 5 1HB ALA 5 -7.219 -13.599 1.582 42 HB2 ALA 5 2HB ALA 5 -6.511 -12.553 0.349 43 HB3 ALA 5 3HB ALA 5 -5.516 -13.764 1.156 44 H SER 6 HN SER 6 -6.601 -16.786 0.891 45 HA SER 6 HA SER 6 -9.370 -17.615 0.693 46 HB2 SER 6 2HB SER 6 -6.807 -18.857 1.273 47 HB3 SER 6 1HB SER 6 -8.055 -19.377 2.402 48 HG SER 6 HG SER 6 -9.240 -20.152 0.751 49 H ASP 7 HN ASP 7 -10.572 -18.354 2.599 50 HA ASP 7 HA ASP 7 -10.536 -16.340 4.675 51 HB2 ASP 7 2HB ASP 7 -12.723 -16.864 4.320 52 HB3 ASP 7 1HB ASP 7 -12.353 -18.511 3.807 53 H GLU 8 HN GLU 8 -10.617 -19.906 4.860 54 HA GLU 8 HA GLU 8 -9.910 -20.271 7.470 55 HB2 GLU 8 2HB GLU 8 -8.445 -22.255 6.260 56 HB3 GLU 8 1HB GLU 8 -10.174 -22.340 6.596 57 HG2 GLU 8 2HG GLU 8 -10.744 -21.647 4.391 58 HG3 GLU 8 1HG GLU 8 -9.095 -21.121 4.050 59 H GLU 9 HN GLU 9 -7.514 -20.304 4.814 60 HA GLU 9 HA GLU 9 -5.655 -18.761 6.446 61 HB2 GLU 9 2HB GLU 9 -3.950 -20.366 6.563 62 HB3 GLU 9 1HB GLU 9 -5.402 -21.300 6.932 63 HG2 GLU 9 2HG GLU 9 -5.498 -21.716 4.360 64 HG3 GLU 9 1HG GLU 9 -3.805 -21.229 4.381 65 H ILE 10 HN ILE 10 -3.885 -17.914 5.221 66 HA ILE 10 HA ILE 10 -4.564 -17.481 2.436 67 HB ILE 10 HB ILE 10 -2.100 -16.508 3.883 68 HG12 ILE 10 2HG1 ILE 10 -4.938 -15.455 3.909 69 HG13 ILE 10 1HG1 ILE 10 -3.910 -15.829 5.293 70 HG21 ILE 10 1HG2 ILE 10 -2.030 -14.844 2.205 71 HG22 ILE 10 2HG2 ILE 10 -3.702 -15.136 1.726 72 HG23 ILE 10 3HG2 ILE 10 -2.452 -16.313 1.326 73 HD11 ILE 10 1HD1 ILE 10 -3.729 -13.499 5.174 74 HD12 ILE 10 2HD1 ILE 10 -3.765 -13.486 3.409 75 HD13 ILE 10 3HD1 ILE 10 -2.315 -14.021 4.259 76 H GLN 11 HN GLN 11 -1.444 -18.308 3.958 77 HA GLN 11 HA GLN 11 -1.010 -20.707 2.545 78 HB2 GLN 11 2HB GLN 11 -0.575 -18.316 0.995 79 HB3 GLN 11 1HB GLN 11 0.961 -19.140 1.252 80 HG2 GLN 11 2HG GLN 11 -1.526 -20.587 0.297 81 HG3 GLN 11 1HG GLN 11 -0.356 -19.871 -0.805 82 HE21 GLN 11 1HE2 GLN 11 0.653 -21.342 2.262 83 HE22 GLN 11 2HE2 GLN 11 1.436 -22.672 1.557 84 H ASP 12 HN ASP 12 0.610 -17.762 3.706 85 HA ASP 12 HA ASP 12 2.220 -19.396 5.522 86 HB2 ASP 12 2HB ASP 12 3.638 -19.246 3.551 87 HB3 ASP 12 1HB ASP 12 3.415 -17.498 3.490 88 H VAL 13 HN VAL 13 2.941 -16.106 4.546 89 HA VAL 13 HA VAL 13 3.000 -14.156 5.746 90 HB VAL 13 HB VAL 13 0.355 -15.110 6.847 91 HG11 VAL 13 1HG1 VAL 13 0.042 -12.958 7.492 92 HG12 VAL 13 2HG1 VAL 13 0.739 -12.320 6.005 93 HG13 VAL 13 3HG1 VAL 13 1.791 -12.801 7.334 94 HG21 VAL 13 1HG2 VAL 13 -0.342 -15.215 4.702 95 HG22 VAL 13 2HG2 VAL 13 1.200 -14.602 4.109 96 HG23 VAL 13 3HG2 VAL 13 -0.064 -13.477 4.606 97 H SER 14 HN SER 14 4.528 -14.071 7.231 98 HA SER 14 HA SER 14 4.129 -14.031 9.931 99 HB2 SER 14 2HB SER 14 4.493 -16.801 8.918 100 HB3 SER 14 1HB SER 14 5.373 -16.366 10.380 101 HG SER 14 HG SER 14 2.875 -15.404 10.496 102 H GLY 15 HN GLY 15 5.644 -12.340 9.191 103 HA2 GLY 15 2HA GLY 15 8.122 -12.403 10.171 104 HA3 GLY 15 1HA GLY 15 8.374 -13.208 8.627 105 H THR 16 HN THR 16 9.820 -11.416 8.207 106 HA THR 16 HA THR 16 8.669 -8.793 7.765 107 HB THR 16 HB THR 16 11.413 -9.329 6.840 108 HG1 THR 16 1HG THR 16 10.577 -10.347 9.129 109 HG21 THR 16 1HG2 THR 16 11.805 -7.191 7.756 110 HG22 THR 16 2HG2 THR 16 10.447 -7.326 8.874 111 HG23 THR 16 3HG2 THR 16 10.151 -7.087 7.151 112 H TRP 17 HN TRP 17 8.642 -7.702 5.791 113 HA TRP 17 HA TRP 17 9.005 -9.341 3.367 114 HB2 TRP 17 2HB TRP 17 6.580 -7.683 4.084 115 HB3 TRP 17 1HB TRP 17 6.889 -8.330 2.479 116 HD1 TRP 17 1HD TRP 17 6.576 -9.680 6.109 117 HE1 TRP 17 1HE TRP 17 5.465 -12.005 5.983 118 HE3 TRP 17 3HE TRP 17 6.136 -10.156 1.077 119 HZ2 TRP 17 2HZ TRP 17 4.504 -13.828 3.982 120 HZ3 TRP 17 3HZ TRP 17 5.115 -12.174 0.059 121 HH2 TRP 17 2HH TRP 17 4.300 -14.016 1.513 122 H TYR 18 HN TYR 18 8.846 -7.824 1.369 123 HA TYR 18 HA TYR 18 9.940 -5.160 2.027 124 HB2 TYR 18 2HB TYR 18 10.896 -6.850 -0.289 125 HB3 TYR 18 1HB TYR 18 11.610 -5.364 0.339 126 HD1 TYR 18 1HD TYR 18 11.431 -8.972 0.654 127 HD2 TYR 18 2HD TYR 18 12.643 -5.363 2.645 128 HE1 TYR 18 1HE TYR 18 12.837 -10.300 2.206 129 HE2 TYR 18 2HE TYR 18 14.048 -6.692 4.198 130 HH TYR 18 HH TYR 18 13.733 -9.747 4.800 131 H LEU 19 HN LEU 19 9.475 -3.537 0.452 132 HA LEU 19 HA LEU 19 7.139 -4.179 -1.241 133 HB2 LEU 19 2HB LEU 19 7.594 -2.117 0.617 134 HB3 LEU 19 1HB LEU 19 7.730 -1.354 -0.966 135 HG LEU 19 HG LEU 19 5.415 -3.104 -0.089 136 HD11 LEU 19 1HD1 LEU 19 4.536 -0.489 -0.552 137 HD12 LEU 19 2HD1 LEU 19 6.021 -0.301 0.381 138 HD13 LEU 19 3HD1 LEU 19 4.699 -1.278 1.017 139 HD21 LEU 19 1HD2 LEU 19 6.282 -2.388 -2.653 140 HD22 LEU 19 2HD2 LEU 19 4.997 -1.238 -2.293 141 HD23 LEU 19 3HD2 LEU 19 4.674 -2.969 -2.225 142 H LYS 20 HN LYS 20 7.414 -4.148 -3.370 143 HA LYS 20 HA LYS 20 9.962 -3.102 -4.427 144 HB2 LYS 20 2HB LYS 20 8.136 -5.083 -5.772 145 HB3 LYS 20 1HB LYS 20 9.824 -4.741 -6.135 146 HG2 LYS 20 2HG LYS 20 10.567 -5.756 -4.090 147 HG3 LYS 20 1HG LYS 20 8.925 -5.866 -3.454 148 HD2 LYS 20 2HD LYS 20 9.697 -8.032 -4.335 149 HD3 LYS 20 1HD LYS 20 8.316 -7.427 -5.243 150 HE2 LYS 20 2HE LYS 20 11.087 -6.762 -6.153 151 HE3 LYS 20 1HE LYS 20 10.422 -8.355 -6.503 152 HZ1 LYS 20 1HZ LYS 20 9.515 -7.347 -8.261 153 HZ2 LYS 20 2HZ LYS 20 9.731 -5.789 -7.617 154 HZ3 LYS 20 3HZ LYS 20 8.388 -6.724 -7.159 155 H ALA 21 HN ALA 21 6.620 -2.507 -4.415 156 HA ALA 21 HA ALA 21 6.911 -0.366 -6.320 157 HB1 ALA 21 1HB ALA 21 6.422 -2.770 -7.491 158 HB2 ALA 21 2HB ALA 21 5.891 -1.224 -8.157 159 HB3 ALA 21 3HB ALA 21 4.778 -2.203 -7.199 160 H MET 22 HN MET 22 5.371 1.188 -6.007 161 HA MET 22 HA MET 22 2.919 0.499 -4.576 162 HB2 MET 22 2HB MET 22 4.037 1.034 -2.648 163 HB3 MET 22 1HB MET 22 5.190 2.073 -3.480 164 HG2 MET 22 2HG MET 22 3.667 3.875 -3.571 165 HG3 MET 22 1HG MET 22 2.285 2.847 -3.192 166 HE1 MET 22 1HE MET 22 3.861 5.593 -2.005 167 HE2 MET 22 2HE MET 22 3.489 5.544 -0.286 168 HE3 MET 22 3HE MET 22 2.204 5.289 -1.467 169 H THR 23 HN THR 23 1.209 1.815 -5.088 170 HA THR 23 HA THR 23 1.729 3.876 -7.139 171 HB THR 23 HB THR 23 -0.692 3.607 -7.665 172 HG1 THR 23 1HG THR 23 -0.463 1.909 -5.468 173 HG21 THR 23 1HG2 THR 23 0.342 2.236 -9.138 174 HG22 THR 23 2HG2 THR 23 -0.294 0.943 -8.121 175 HG23 THR 23 3HG2 THR 23 1.354 1.519 -7.888 176 H VAL 24 HN VAL 24 1.343 6.006 -6.708 177 HA VAL 24 HA VAL 24 -0.313 6.640 -4.333 178 HB VAL 24 HB VAL 24 1.871 8.525 -4.947 179 HG11 VAL 24 1HG1 VAL 24 0.191 8.513 -2.993 180 HG12 VAL 24 2HG1 VAL 24 1.887 8.762 -2.584 181 HG13 VAL 24 3HG1 VAL 24 1.145 7.181 -2.340 182 HG21 VAL 24 1HG2 VAL 24 3.548 7.110 -3.766 183 HG22 VAL 24 2HG2 VAL 24 3.071 6.424 -5.318 184 HG23 VAL 24 3HG2 VAL 24 2.407 5.768 -3.821 185 H ASP 25 HN ASP 25 -2.116 7.419 -5.290 186 HA ASP 25 HA ASP 25 -2.594 8.585 -7.662 187 HB2 ASP 25 2HB ASP 25 -3.680 9.689 -5.062 188 HB3 ASP 25 1HB ASP 25 -4.423 9.822 -6.653 189 H ARG 26 HN ARG 26 -2.560 10.657 -8.582 190 HA ARG 26 HA ARG 26 -0.414 12.373 -7.560 191 HB2 ARG 26 2HB ARG 26 -1.883 12.661 -10.179 192 HB3 ARG 26 1HB ARG 26 -0.298 13.301 -9.745 193 HG2 ARG 26 2HG ARG 26 0.239 10.733 -9.317 194 HG3 ARG 26 1HG ARG 26 -1.079 10.505 -10.466 195 HD2 ARG 26 2HD ARG 26 1.499 12.025 -10.893 196 HD3 ARG 26 1HD ARG 26 0.931 10.604 -11.763 197 HE ARG 26 HE ARG 26 -0.975 12.643 -12.096 198 HH11 ARG 26 1HH1 ARG 26 -0.976 13.857 -14.014 199 HH12 ARG 26 2HH1 ARG 26 0.454 13.933 -14.987 200 HH21 ARG 26 1HH2 ARG 26 2.312 11.897 -12.882 201 HH22 ARG 26 2HH2 ARG 26 2.316 12.822 -14.346 202 H GLU 27 HN GLU 27 -3.239 12.234 -6.475 203 HA GLU 27 HA GLU 27 -4.157 14.973 -7.027 204 HB2 GLU 27 2HB GLU 27 -5.433 12.584 -5.697 205 HB3 GLU 27 1HB GLU 27 -6.127 14.201 -5.576 206 HG2 GLU 27 2HG GLU 27 -6.283 14.357 -8.007 207 HG3 GLU 27 1HG GLU 27 -5.488 12.793 -8.184 208 H PHE 28 HN PHE 28 -3.158 12.843 -4.392 209 HA PHE 28 HA PHE 28 -3.561 14.281 -2.153 210 HB2 PHE 28 2HB PHE 28 -1.122 12.720 -3.004 211 HB3 PHE 28 1HB PHE 28 -1.277 13.384 -1.381 212 HD1 PHE 28 1HD PHE 28 -1.912 10.543 -3.356 213 HD2 PHE 28 2HD PHE 28 -3.677 12.940 -0.256 214 HE1 PHE 28 1HE PHE 28 -3.367 8.648 -2.720 215 HE2 PHE 28 2HE PHE 28 -5.137 11.040 0.370 216 HZ PHE 28 HZ PHE 28 -4.977 8.899 -0.859 217 HA PRO 29 HA PRO 29 -1.665 18.250 -2.438 218 HB2 PRO 29 2HB PRO 29 -0.443 18.411 0.083 219 HB3 PRO 29 1HB PRO 29 -2.111 18.872 -0.302 220 HG2 PRO 29 2HG PRO 29 -1.071 16.396 0.946 221 HG3 PRO 29 1HG PRO 29 -2.599 17.250 1.218 222 HD2 PRO 29 2HD PRO 29 -2.474 14.954 -0.210 223 HD3 PRO 29 1HD PRO 29 -3.648 16.232 -0.586 224 H GLU 30 HN GLU 30 0.699 16.773 -0.245 225 HA GLU 30 HA GLU 30 2.715 16.838 -2.394 226 HB2 GLU 30 2HB GLU 30 2.541 18.680 -0.229 227 HB3 GLU 30 1HB GLU 30 3.952 17.656 0.043 228 HG2 GLU 30 2HG GLU 30 4.695 18.107 -2.287 229 HG3 GLU 30 1HG GLU 30 3.320 19.192 -2.492 230 H MET 31 HN MET 31 1.191 14.739 -0.755 231 HA MET 31 HA MET 31 3.017 13.460 0.980 232 HB2 MET 31 2HB MET 31 0.702 12.382 -0.641 233 HB3 MET 31 1HB MET 31 1.614 11.411 0.512 234 HG2 MET 31 2HG MET 31 1.088 13.169 2.262 235 HG3 MET 31 1HG MET 31 -0.000 13.908 1.091 236 HE1 MET 31 1HE MET 31 1.183 10.911 2.807 237 HE2 MET 31 2HE MET 31 0.391 9.744 1.751 238 HE3 MET 31 3HE MET 31 -0.246 10.032 3.368 239 H ASN 32 HN ASN 32 5.059 13.240 0.163 240 HA ASN 32 HA ASN 32 5.375 11.808 -2.393 241 HB2 ASN 32 2HB ASN 32 7.278 13.478 -0.737 242 HB3 ASN 32 1HB ASN 32 7.788 12.531 -2.134 243 HD21 ASN 32 1HD2 ASN 32 7.221 15.629 -1.442 244 HD22 ASN 32 2HD2 ASN 32 6.473 16.153 -2.871 245 H LEU 33 HN LEU 33 7.525 10.441 -2.264 246 HA LEU 33 HA LEU 33 7.735 9.049 0.282 247 HB2 LEU 33 2HB LEU 33 6.085 7.663 -0.784 248 HB3 LEU 33 1HB LEU 33 6.997 7.645 -2.296 249 HG LEU 33 HG LEU 33 8.779 6.363 -1.290 250 HD11 LEU 33 1HD1 LEU 33 7.313 6.991 1.269 251 HD12 LEU 33 2HD1 LEU 33 9.027 7.189 0.904 252 HD13 LEU 33 3HD1 LEU 33 8.359 5.580 1.162 253 HD21 LEU 33 1HD2 LEU 33 6.130 5.436 -1.494 254 HD22 LEU 33 2HD2 LEU 33 6.762 4.772 0.016 255 HD23 LEU 33 3HD2 LEU 33 7.602 4.464 -1.504 256 H GLU 34 HN GLU 34 9.808 9.121 0.735 257 HA GLU 34 HA GLU 34 11.747 9.269 -1.467 258 HB2 GLU 34 2HB GLU 34 11.813 9.946 1.444 259 HB3 GLU 34 1HB GLU 34 13.325 9.656 0.586 260 HG2 GLU 34 2HG GLU 34 12.870 11.410 -0.983 261 HG3 GLU 34 1HG GLU 34 11.210 11.573 -0.415 262 H SER 35 HN SER 35 10.810 7.147 1.196 263 HA SER 35 HA SER 35 12.201 4.943 -0.011 264 HB2 SER 35 2HB SER 35 14.106 4.798 1.205 265 HB3 SER 35 1HB SER 35 13.863 6.522 1.472 266 HG SER 35 HG SER 35 13.615 6.044 3.493 267 H VAL 36 HN VAL 36 11.965 2.941 1.233 268 HA VAL 36 HA VAL 36 9.871 3.081 3.283 269 HB VAL 36 HB VAL 36 9.130 2.481 0.845 270 HG11 VAL 36 1HG1 VAL 36 9.464 0.243 0.178 271 HG12 VAL 36 2HG1 VAL 36 9.949 -0.265 1.794 272 HG13 VAL 36 3HG1 VAL 36 11.040 0.713 0.811 273 HG21 VAL 36 1HG2 VAL 36 7.443 2.276 2.420 274 HG22 VAL 36 2HG2 VAL 36 8.405 1.235 3.469 275 HG23 VAL 36 3HG2 VAL 36 7.665 0.575 2.008 276 H THR 37 HN THR 37 9.828 1.354 4.756 277 HA THR 37 HA THR 37 12.386 -0.106 4.902 278 HB THR 37 HB THR 37 12.002 -0.230 7.299 279 HG1 THR 37 1HG THR 37 9.723 -0.398 7.172 280 HG21 THR 37 1HG2 THR 37 12.935 1.872 6.222 281 HG22 THR 37 2HG2 THR 37 12.244 2.083 7.831 282 HG23 THR 37 3HG2 THR 37 11.328 2.571 6.405 283 HA PRO 38 HA PRO 38 10.562 -4.121 4.233 284 HB2 PRO 38 2HB PRO 38 11.599 -4.750 6.975 285 HB3 PRO 38 1HB PRO 38 11.741 -5.692 5.479 286 HG2 PRO 38 2HG PRO 38 13.765 -4.233 6.440 287 HG3 PRO 38 1HG PRO 38 13.493 -4.446 4.703 288 HD2 PRO 38 2HD PRO 38 13.135 -2.026 6.353 289 HD3 PRO 38 1HD PRO 38 13.322 -2.178 4.593 290 H MET 39 HN MET 39 8.508 -4.925 4.598 291 HA MET 39 HA MET 39 6.959 -3.742 6.763 292 HB2 MET 39 2HB MET 39 5.981 -3.696 4.528 293 HB3 MET 39 1HB MET 39 6.167 -5.435 4.378 294 HG2 MET 39 2HG MET 39 4.676 -5.463 6.583 295 HG3 MET 39 1HG MET 39 4.187 -3.880 6.007 296 HE1 MET 39 1HE MET 39 3.913 -3.547 3.418 297 HE2 MET 39 2HE MET 39 3.005 -4.657 2.391 298 HE3 MET 39 3HE MET 39 4.731 -4.903 2.628 299 H THR 40 HN THR 40 6.186 -4.824 8.464 300 HA THR 40 HA THR 40 7.006 -7.628 8.753 301 HB THR 40 HB THR 40 6.072 -5.781 10.948 302 HG1 THR 40 1HG THR 40 7.889 -4.854 10.115 303 HG21 THR 40 1HG2 THR 40 6.006 -8.145 11.509 304 HG22 THR 40 2HG2 THR 40 7.373 -7.400 12.340 305 HG23 THR 40 3HG2 THR 40 7.642 -8.371 10.893 306 H LEU 41 HN LEU 41 5.415 -8.989 8.113 307 HA LEU 41 HA LEU 41 2.624 -8.248 8.692 308 HB2 LEU 41 2HB LEU 41 3.962 -10.193 6.831 309 HB3 LEU 41 1HB LEU 41 2.257 -10.361 7.232 310 HG LEU 41 HG LEU 41 2.844 -7.593 6.557 311 HD11 LEU 41 1HD1 LEU 41 4.569 -8.196 5.111 312 HD12 LEU 41 2HD1 LEU 41 3.156 -8.195 4.057 313 HD13 LEU 41 3HD1 LEU 41 3.800 -9.717 4.649 314 HD21 LEU 41 1HD2 LEU 41 0.612 -8.551 6.505 315 HD22 LEU 41 2HD2 LEU 41 1.134 -9.761 5.335 316 HD23 LEU 41 3HD2 LEU 41 1.057 -8.065 4.868 317 H THR 42 HN THR 42 2.021 -8.897 10.664 318 HA THR 42 HA THR 42 2.956 -11.497 11.663 319 HB THR 42 HB THR 42 2.840 -10.639 13.748 320 HG1 THR 42 1HG THR 42 1.008 -9.856 14.535 321 HG21 THR 42 1HG2 THR 42 3.018 -8.190 13.878 322 HG22 THR 42 2HG2 THR 42 2.381 -8.048 12.240 323 HG23 THR 42 3HG2 THR 42 3.945 -8.811 12.512 324 H THR 43 HN THR 43 1.658 -13.180 11.569 325 HA THR 43 HA THR 43 -1.116 -12.773 10.730 326 HB THR 43 HB THR 43 0.321 -15.410 11.051 327 HG1 THR 43 1HG THR 43 1.520 -14.545 9.516 328 HG21 THR 43 1HG2 THR 43 -2.247 -15.182 10.802 329 HG22 THR 43 2HG2 THR 43 -1.411 -16.272 9.694 330 HG23 THR 43 3HG2 THR 43 -1.900 -14.667 9.149 331 H LEU 44 HN LEU 44 -2.637 -12.617 12.193 332 HA LEU 44 HA LEU 44 -2.201 -13.629 14.885 333 HB2 LEU 44 2HB LEU 44 -4.694 -12.241 13.954 334 HB3 LEU 44 1HB LEU 44 -3.964 -12.246 15.560 335 HG LEU 44 HG LEU 44 -2.874 -10.881 13.079 336 HD11 LEU 44 1HD1 LEU 44 -3.950 -9.063 13.852 337 HD12 LEU 44 2HD1 LEU 44 -3.137 -9.222 15.409 338 HD13 LEU 44 3HD1 LEU 44 -4.669 -10.050 15.124 339 HD21 LEU 44 1HD2 LEU 44 -0.953 -11.652 14.222 340 HD22 LEU 44 2HD2 LEU 44 -1.688 -11.406 15.806 341 HD23 LEU 44 3HD2 LEU 44 -1.180 -10.017 14.844 342 H GLU 45 HN GLU 45 -2.712 -15.606 15.378 343 HA GLU 45 HA GLU 45 -3.597 -17.749 15.122 344 HB2 GLU 45 2HB GLU 45 -5.990 -17.748 15.827 345 HB3 GLU 45 1HB GLU 45 -4.953 -16.762 16.857 346 HG2 GLU 45 2HG GLU 45 -5.713 -14.733 15.821 347 HG3 GLU 45 1HG GLU 45 -6.542 -15.622 14.546 348 H GLY 46 HN GLY 46 -3.356 -16.323 12.540 349 HA2 GLY 46 2HA GLY 46 -3.910 -16.760 10.347 350 HA3 GLY 46 1HA GLY 46 -4.810 -18.157 10.929 351 H GLY 47 HN GLY 47 -6.059 -15.774 12.694 352 HA2 GLY 47 2HA GLY 47 -8.421 -15.555 11.032 353 HA3 GLY 47 1HA GLY 47 -8.219 -14.909 12.659 354 H ASN 48 HN ASN 48 -6.420 -13.128 12.718 355 HA ASN 48 HA ASN 48 -7.019 -11.230 10.522 356 HB2 ASN 48 2HB ASN 48 -6.393 -10.729 13.436 357 HB3 ASN 48 1HB ASN 48 -6.453 -9.458 12.216 358 HD21 ASN 48 1HD2 ASN 48 -8.683 -11.980 11.546 359 HD22 ASN 48 2HD2 ASN 48 -10.069 -11.221 12.162 360 H LEU 49 HN LEU 49 -5.346 -9.691 9.980 361 HA LEU 49 HA LEU 49 -2.608 -10.759 10.400 362 HB2 LEU 49 2HB LEU 49 -4.075 -10.537 8.003 363 HB3 LEU 49 1HB LEU 49 -2.890 -9.234 7.964 364 HG LEU 49 HG LEU 49 -2.213 -12.131 8.563 365 HD11 LEU 49 1HD1 LEU 49 -1.162 -10.961 6.097 366 HD12 LEU 49 2HD1 LEU 49 -2.921 -11.061 6.090 367 HD13 LEU 49 3HD1 LEU 49 -1.956 -12.513 6.348 368 HD21 LEU 49 1HD2 LEU 49 -0.051 -10.513 7.591 369 HD22 LEU 49 2HD2 LEU 49 -0.193 -11.324 9.145 370 HD23 LEU 49 3HD2 LEU 49 -0.804 -9.685 8.949 371 H GLU 50 HN GLU 50 -1.049 -9.288 10.965 372 HA GLU 50 HA GLU 50 -1.872 -6.455 11.098 373 HB2 GLU 50 2HB GLU 50 -1.510 -7.610 13.317 374 HB3 GLU 50 1HB GLU 50 0.180 -7.784 12.860 375 HG2 GLU 50 2HG GLU 50 0.098 -5.224 12.402 376 HG3 GLU 50 1HG GLU 50 -1.368 -5.258 13.378 377 H ALA 51 HN ALA 51 -0.780 -5.125 9.829 378 HA ALA 51 HA ALA 51 1.856 -6.022 8.847 379 HB1 ALA 51 1HB ALA 51 0.874 -6.016 6.837 380 HB2 ALA 51 2HB ALA 51 0.910 -4.253 6.957 381 HB3 ALA 51 3HB ALA 51 -0.538 -5.144 7.439 382 H LYS 52 HN LYS 52 3.500 -4.800 9.354 383 HA LYS 52 HA LYS 52 3.004 -1.943 9.957 384 HB2 LYS 52 2HB LYS 52 5.248 -3.033 11.434 385 HB3 LYS 52 1HB LYS 52 3.858 -2.120 12.017 386 HG2 LYS 52 2HG LYS 52 2.496 -4.174 12.015 387 HG3 LYS 52 1HG LYS 52 3.870 -5.090 11.404 388 HD2 LYS 52 2HD LYS 52 4.027 -5.500 13.693 389 HD3 LYS 52 1HD LYS 52 5.119 -4.131 13.496 390 HE2 LYS 52 2HE LYS 52 3.399 -2.585 14.249 391 HE3 LYS 52 1HE LYS 52 2.205 -3.879 14.301 392 HZ1 LYS 52 1HZ LYS 52 3.195 -4.844 16.123 393 HZ2 LYS 52 2HZ LYS 52 3.406 -3.191 16.453 394 HZ3 LYS 52 3HZ LYS 52 4.699 -4.108 15.844 395 H VAL 53 HN VAL 53 4.164 -0.575 8.798 396 HA VAL 53 HA VAL 53 6.878 -1.299 7.995 397 HB VAL 53 HB VAL 53 5.521 -2.032 6.119 398 HG11 VAL 53 1HG1 VAL 53 4.028 -0.472 4.951 399 HG12 VAL 53 2HG1 VAL 53 4.411 0.788 6.123 400 HG13 VAL 53 3HG1 VAL 53 3.528 -0.653 6.633 401 HG21 VAL 53 1HG2 VAL 53 6.410 0.545 4.996 402 HG22 VAL 53 2HG2 VAL 53 6.922 -1.092 4.587 403 HG23 VAL 53 3HG2 VAL 53 7.628 -0.270 5.975 404 H THR 54 HN THR 54 8.189 0.456 7.690 405 HA THR 54 HA THR 54 7.059 3.039 8.518 406 HB THR 54 HB THR 54 9.994 2.592 8.344 407 HG1 THR 54 1HG THR 54 9.951 1.034 9.725 408 HG21 THR 54 1HG2 THR 54 10.038 4.118 10.176 409 HG22 THR 54 2HG2 THR 54 8.330 3.856 10.526 410 HG23 THR 54 3HG2 THR 54 8.807 4.735 9.074 411 H MET 55 HN MET 55 6.844 4.584 7.007 412 HA MET 55 HA MET 55 8.398 4.249 4.516 413 HB2 MET 55 2HB MET 55 6.247 6.040 4.097 414 HB3 MET 55 1HB MET 55 6.502 4.464 3.366 415 HG2 MET 55 2HG MET 55 5.479 3.523 5.578 416 HG3 MET 55 1HG MET 55 4.886 5.172 5.808 417 HE1 MET 55 1HE MET 55 4.711 5.710 2.368 418 HE2 MET 55 2HE MET 55 3.981 6.489 3.772 419 HE3 MET 55 3HE MET 55 2.950 5.811 2.515 420 H LEU 56 HN LEU 56 9.173 6.084 3.490 421 HA LEU 56 HA LEU 56 9.683 8.300 5.385 422 HB2 LEU 56 2HB LEU 56 11.699 7.103 4.466 423 HB3 LEU 56 1HB LEU 56 11.215 7.650 2.866 424 HG LEU 56 HG LEU 56 11.270 10.017 3.694 425 HD11 LEU 56 1HD1 LEU 56 11.943 8.585 6.216 426 HD12 LEU 56 2HD1 LEU 56 11.103 10.114 5.977 427 HD13 LEU 56 3HD1 LEU 56 12.862 10.051 5.881 428 HD21 LEU 56 1HD2 LEU 56 13.293 8.628 2.685 429 HD22 LEU 56 2HD2 LEU 56 13.961 8.836 4.302 430 HD23 LEU 56 3HD2 LEU 56 13.556 10.248 3.328 431 H ILE 57 HN ILE 57 7.733 9.329 4.993 432 HA ILE 57 HA ILE 57 7.085 10.108 2.289 433 HB ILE 57 HB ILE 57 5.727 10.589 4.941 434 HG12 ILE 57 2HG1 ILE 57 5.696 8.270 3.900 435 HG13 ILE 57 1HG1 ILE 57 4.118 8.976 4.216 436 HG21 ILE 57 1HG2 ILE 57 3.865 11.222 3.086 437 HG22 ILE 57 2HG2 ILE 57 5.328 11.793 2.278 438 HG23 ILE 57 3HG2 ILE 57 4.903 12.411 3.875 439 HD11 ILE 57 1HD1 ILE 57 5.511 8.592 1.561 440 HD12 ILE 57 2HD1 ILE 57 4.193 9.751 1.721 441 HD13 ILE 57 3HD1 ILE 57 3.914 8.057 2.047 442 H SER 58 HN SER 58 7.854 11.852 1.420 443 HA SER 58 HA SER 58 9.018 13.839 1.201 444 HB2 SER 58 2HB SER 58 6.823 14.463 3.171 445 HB3 SER 58 1HB SER 58 7.873 15.708 2.499 446 HG SER 58 HG SER 58 6.429 13.839 0.927 447 H GLY 59 HN GLY 59 10.549 12.198 2.778 448 HA2 GLY 59 2HA GLY 59 12.407 12.413 4.138 449 HA3 GLY 59 1HA GLY 59 11.965 14.095 4.415 450 H ARG 60 HN ARG 60 9.198 12.818 5.116 451 HA ARG 60 HA ARG 60 9.731 12.677 7.972 452 HB2 ARG 60 2HB ARG 60 7.019 12.354 6.718 453 HB3 ARG 60 1HB ARG 60 7.439 13.038 8.284 454 HG2 ARG 60 2HG ARG 60 8.747 14.628 6.302 455 HG3 ARG 60 1HG ARG 60 7.076 14.406 5.788 456 HD2 ARG 60 2HD ARG 60 6.305 15.143 8.005 457 HD3 ARG 60 1HD ARG 60 7.979 15.340 8.512 458 HE ARG 60 HE ARG 60 7.825 16.909 6.296 459 HH11 ARG 60 1HH1 ARG 60 7.205 19.096 6.346 460 HH12 ARG 60 2HH1 ARG 60 6.174 19.668 7.615 461 HH21 ARG 60 1HH2 ARG 60 5.927 16.580 9.172 462 HH22 ARG 60 2HH2 ARG 60 5.451 18.245 9.213 463 H CYS 61 HN CYS 61 9.880 10.817 9.084 464 HA CYS 61 HA CYS 61 9.435 8.285 7.708 465 HB2 CYS 61 2HB CYS 61 11.379 8.888 9.347 466 HB3 CYS 61 1HB CYS 61 10.192 8.536 10.604 467 H GLN 62 HN GLN 62 7.348 7.679 7.560 468 HA GLN 62 HA GLN 62 5.596 8.100 9.888 469 HB2 GLN 62 2HB GLN 62 4.746 7.246 7.126 470 HB3 GLN 62 1HB GLN 62 3.755 7.954 8.403 471 HG2 GLN 62 2HG GLN 62 5.996 9.329 6.895 472 HG3 GLN 62 1HG GLN 62 4.272 9.668 6.744 473 HE21 GLN 62 1HE2 GLN 62 3.327 9.914 9.268 474 HE22 GLN 62 2HE2 GLN 62 4.184 11.083 10.151 475 H GLU 63 HN GLU 63 5.489 6.452 11.234 476 HA GLU 63 HA GLU 63 5.992 3.723 10.406 477 HB2 GLU 63 2HB GLU 63 4.771 4.325 13.049 478 HB3 GLU 63 1HB GLU 63 6.105 3.244 12.644 479 HG2 GLU 63 2HG GLU 63 7.430 5.389 12.096 480 HG3 GLU 63 1HG GLU 63 6.159 6.243 12.969 481 H VAL 64 HN VAL 64 4.490 2.521 9.433 482 HA VAL 64 HA VAL 64 1.655 3.192 9.903 483 HB VAL 64 HB VAL 64 2.644 1.342 7.753 484 HG11 VAL 64 1HG1 VAL 64 0.218 1.552 8.198 485 HG12 VAL 64 2HG1 VAL 64 0.637 2.196 6.610 486 HG13 VAL 64 3HG1 VAL 64 0.330 3.295 7.955 487 HG21 VAL 64 1HG2 VAL 64 2.759 3.374 6.271 488 HG22 VAL 64 2HG2 VAL 64 4.029 3.326 7.494 489 HG23 VAL 64 3HG2 VAL 64 2.629 4.377 7.715 490 H LYS 65 HN LYS 65 0.228 1.642 10.623 491 HA LYS 65 HA LYS 65 1.115 -1.108 11.036 492 HB2 LYS 65 2HB LYS 65 1.930 -0.038 13.056 493 HB3 LYS 65 1HB LYS 65 0.385 0.759 13.312 494 HG2 LYS 65 2HG LYS 65 0.022 -2.116 13.029 495 HG3 LYS 65 1HG LYS 65 1.192 -1.761 14.294 496 HD2 LYS 65 2HD LYS 65 -0.357 -0.542 15.569 497 HD3 LYS 65 1HD LYS 65 -1.425 -0.259 14.197 498 HE2 LYS 65 2HE LYS 65 -2.131 -2.544 14.158 499 HE3 LYS 65 1HE LYS 65 -0.899 -3.008 15.334 500 HZ1 LYS 65 1HZ LYS 65 -2.088 -1.196 16.762 501 HZ2 LYS 65 2HZ LYS 65 -2.715 -2.772 16.675 502 HZ3 LYS 65 3HZ LYS 65 -3.400 -1.530 15.741 503 H ALA 66 HN ALA 66 -0.516 -1.785 9.697 504 HA ALA 66 HA ALA 66 -3.268 -1.071 10.466 505 HB1 ALA 66 1HB ALA 66 -3.918 -1.383 8.238 506 HB2 ALA 66 2HB ALA 66 -2.489 -2.348 7.861 507 HB3 ALA 66 3HB ALA 66 -2.341 -0.605 8.095 508 H VAL 67 HN VAL 67 -4.849 -2.671 10.432 509 HA VAL 67 HA VAL 67 -3.832 -5.400 10.803 510 HB VAL 67 HB VAL 67 -5.917 -3.912 12.376 511 HG11 VAL 67 1HG1 VAL 67 -7.061 -5.914 11.959 512 HG12 VAL 67 2HG1 VAL 67 -6.163 -6.310 13.427 513 HG13 VAL 67 3HG1 VAL 67 -5.569 -6.852 11.856 514 HG21 VAL 67 1HG2 VAL 67 -3.774 -5.744 13.425 515 HG22 VAL 67 2HG2 VAL 67 -4.533 -4.360 14.212 516 HG23 VAL 67 3HG2 VAL 67 -3.350 -4.106 12.928 517 H LEU 68 HN LEU 68 -4.562 -6.737 9.300 518 HA LEU 68 HA LEU 68 -6.852 -6.009 7.692 519 HB2 LEU 68 2HB LEU 68 -5.137 -8.496 7.585 520 HB3 LEU 68 1HB LEU 68 -6.168 -7.860 6.308 521 HG LEU 68 HG LEU 68 -3.721 -6.476 7.454 522 HD11 LEU 68 1HD1 LEU 68 -3.593 -8.565 5.839 523 HD12 LEU 68 2HD1 LEU 68 -2.566 -7.163 5.555 524 HD13 LEU 68 3HD1 LEU 68 -4.041 -7.384 4.609 525 HD21 LEU 68 1HD2 LEU 68 -4.268 -5.128 5.207 526 HD22 LEU 68 2HD2 LEU 68 -5.004 -4.685 6.746 527 HD23 LEU 68 3HD2 LEU 68 -5.908 -5.653 5.583 528 H GLU 69 HN GLU 69 -8.494 -6.194 9.378 529 HA GLU 69 HA GLU 69 -8.905 -8.711 10.697 530 HB2 GLU 69 2HB GLU 69 -10.772 -7.715 11.701 531 HB3 GLU 69 1HB GLU 69 -9.701 -6.341 11.424 532 HG2 GLU 69 2HG GLU 69 -10.919 -6.049 9.186 533 HG3 GLU 69 1HG GLU 69 -12.128 -7.160 9.826 534 H LYS 70 HN LYS 70 -9.987 -10.443 9.990 535 HA LYS 70 HA LYS 70 -10.741 -10.661 7.260 536 HB2 LYS 70 2HB LYS 70 -9.943 -12.526 8.779 537 HB3 LYS 70 1HB LYS 70 -11.558 -12.525 9.488 538 HG2 LYS 70 2HG LYS 70 -12.470 -12.803 7.133 539 HG3 LYS 70 1HG LYS 70 -10.810 -13.092 6.611 540 HD2 LYS 70 2HD LYS 70 -11.141 -15.257 7.157 541 HD3 LYS 70 1HD LYS 70 -11.106 -14.737 8.843 542 HE2 LYS 70 2HE LYS 70 -13.156 -15.953 8.540 543 HE3 LYS 70 1HE LYS 70 -13.588 -14.245 8.628 544 HZ1 LYS 70 1HZ LYS 70 -13.954 -16.078 6.492 545 HZ2 LYS 70 2HZ LYS 70 -13.041 -14.740 5.977 546 HZ3 LYS 70 3HZ LYS 70 -14.572 -14.508 6.675 547 H THR 71 HN THR 71 -12.687 -10.592 6.264 548 HA THR 71 HA THR 71 -15.017 -9.789 7.902 549 HB THR 71 HB THR 71 -15.824 -8.550 5.997 550 HG1 THR 71 1HG THR 71 -14.300 -10.219 4.668 551 HG21 THR 71 1HG2 THR 71 -12.893 -8.076 6.503 552 HG22 THR 71 2HG2 THR 71 -14.236 -7.359 7.385 553 HG23 THR 71 3HG2 THR 71 -13.955 -6.926 5.699 554 H ASP 72 HN ASP 72 -17.060 -10.150 6.225 555 HA ASP 72 HA ASP 72 -17.325 -13.012 6.154 556 HB2 ASP 72 2HB ASP 72 -19.581 -12.275 5.017 557 HB3 ASP 72 1HB ASP 72 -19.322 -12.008 6.739 558 H GLU 73 HN GLU 73 -15.728 -11.049 4.096 559 HA GLU 73 HA GLU 73 -16.494 -12.641 1.722 560 HB2 GLU 73 2HB GLU 73 -16.461 -9.831 2.060 561 HB3 GLU 73 1HB GLU 73 -15.128 -10.248 0.983 562 HG2 GLU 73 2HG GLU 73 -16.671 -11.571 -0.416 563 HG3 GLU 73 1HG GLU 73 -18.005 -11.140 0.652 564 HA PRO 74 HA PRO 74 -12.224 -14.094 2.647 565 HB2 PRO 74 2HB PRO 74 -12.754 -15.427 0.021 566 HB3 PRO 74 1HB PRO 74 -12.060 -16.102 1.510 567 HG2 PRO 74 2HG PRO 74 -14.572 -16.610 0.792 568 HG3 PRO 74 1HG PRO 74 -14.112 -16.403 2.490 569 HD2 PRO 74 2HD PRO 74 -15.625 -14.554 0.715 570 HD3 PRO 74 1HD PRO 74 -15.708 -14.745 2.480 571 H GLY 75 HN GLY 75 -10.400 -13.031 2.110 572 HA2 GLY 75 2HA GLY 75 -8.778 -12.082 0.702 573 HA3 GLY 75 1HA GLY 75 -9.932 -12.136 -0.625 574 H LYS 76 HN LYS 76 -11.408 -10.891 2.070 575 HA LYS 76 HA LYS 76 -10.824 -8.092 1.321 576 HB2 LYS 76 2HB LYS 76 -13.083 -8.934 0.541 577 HB3 LYS 76 1HB LYS 76 -13.496 -9.159 2.241 578 HG2 LYS 76 2HG LYS 76 -12.945 -6.729 2.621 579 HG3 LYS 76 1HG LYS 76 -12.784 -6.556 0.877 580 HD2 LYS 76 2HD LYS 76 -15.015 -6.372 0.648 581 HD3 LYS 76 1HD LYS 76 -15.260 -7.911 1.472 582 HE2 LYS 76 2HE LYS 76 -15.133 -6.793 3.651 583 HE3 LYS 76 1HE LYS 76 -14.824 -5.250 2.857 584 HZ1 LYS 76 1HZ LYS 76 -17.299 -6.835 2.929 585 HZ2 LYS 76 2HZ LYS 76 -17.010 -5.792 1.619 586 HZ3 LYS 76 3HZ LYS 76 -17.080 -5.174 3.200 587 H TYR 77 HN TYR 77 -9.774 -7.181 3.008 588 HA TYR 77 HA TYR 77 -10.696 -7.883 5.733 589 HB2 TYR 77 2HB TYR 77 -7.939 -6.946 4.936 590 HB3 TYR 77 1HB TYR 77 -8.461 -7.471 6.534 591 HD1 TYR 77 1HD TYR 77 -7.928 -8.610 3.033 592 HD2 TYR 77 2HD TYR 77 -8.519 -9.770 7.124 593 HE1 TYR 77 1HE TYR 77 -7.354 -10.950 2.454 594 HE2 TYR 77 2HE TYR 77 -7.945 -12.110 6.545 595 HH TYR 77 HH TYR 77 -7.552 -13.545 4.874 596 H THR 78 HN THR 78 -10.348 -6.148 7.335 597 HA THR 78 HA THR 78 -10.486 -3.462 6.131 598 HB THR 78 HB THR 78 -12.162 -3.159 8.232 599 HG1 THR 78 1HG THR 78 -13.477 -4.941 8.340 600 HG21 THR 78 1HG2 THR 78 -13.990 -3.518 6.451 601 HG22 THR 78 2HG2 THR 78 -12.660 -3.913 5.361 602 HG23 THR 78 3HG2 THR 78 -12.742 -2.316 6.116 603 H ALA 79 HN ALA 79 -9.998 -1.714 7.625 604 HA ALA 79 HA ALA 79 -7.964 -2.587 9.549 605 HB1 ALA 79 1HB ALA 79 -7.584 -0.020 9.638 606 HB2 ALA 79 2HB ALA 79 -8.605 0.012 8.202 607 HB3 ALA 79 3HB ALA 79 -7.099 -0.904 8.192 608 H ASP 80 HN ASP 80 -10.059 -3.381 10.809 609 HA ASP 80 HA ASP 80 -11.509 -3.122 12.560 610 HB2 ASP 80 2HB ASP 80 -9.214 -2.938 13.575 611 HB3 ASP 80 1HB ASP 80 -9.411 -1.187 13.542 612 H GLY 81 HN GLY 81 -12.446 -1.547 10.512 613 HA2 GLY 81 2HA GLY 81 -14.107 0.068 10.315 614 HA3 GLY 81 1HA GLY 81 -13.830 0.511 12.001 615 H GLY 82 HN GLY 82 -11.297 0.221 9.636 616 HA2 GLY 82 2HA GLY 82 -10.631 3.058 10.017 617 HA3 GLY 82 1HA GLY 82 -9.577 1.824 9.322 618 H LYS 83 HN LYS 83 -12.937 2.311 8.542 619 HA LYS 83 HA LYS 83 -13.900 2.382 6.419 620 HB2 LYS 83 2HB LYS 83 -13.245 4.751 5.425 621 HB3 LYS 83 1HB LYS 83 -14.220 4.613 6.883 622 HG2 LYS 83 2HG LYS 83 -12.202 4.883 8.274 623 HG3 LYS 83 1HG LYS 83 -11.213 5.000 6.817 624 HD2 LYS 83 2HD LYS 83 -13.397 6.843 6.594 625 HD3 LYS 83 1HD LYS 83 -12.600 7.094 8.147 626 HE2 LYS 83 2HE LYS 83 -11.225 7.014 5.444 627 HE3 LYS 83 1HE LYS 83 -11.532 8.462 6.403 628 HZ1 LYS 83 1HZ LYS 83 -10.041 7.789 8.038 629 HZ2 LYS 83 2HZ LYS 83 -9.250 7.384 6.589 630 HZ3 LYS 83 3HZ LYS 83 -10.020 6.178 7.507 631 H HIS 84 HN HIS 84 -11.298 0.993 6.432 632 HA HIS 84 HA HIS 84 -10.616 1.421 3.621 633 HB2 HIS 84 2HB HIS 84 -8.839 1.528 5.924 634 HB3 HIS 84 1HB HIS 84 -8.326 0.342 4.726 635 HD1 HIS 84 1HD HIS 84 -8.898 4.028 5.181 636 HD2 HIS 84 2HD HIS 84 -7.583 1.429 2.203 637 HE1 HIS 84 1HE HIS 84 -7.938 5.473 3.335 638 H VAL 85 HN VAL 85 -10.544 -0.331 2.400 639 HA VAL 85 HA VAL 85 -10.910 -2.931 3.752 640 HB VAL 85 HB VAL 85 -11.861 -2.300 0.971 641 HG11 VAL 85 1HG1 VAL 85 -11.597 -4.671 1.602 642 HG12 VAL 85 2HG1 VAL 85 -13.297 -4.257 1.373 643 HG13 VAL 85 3HG1 VAL 85 -12.638 -4.409 3.002 644 HG21 VAL 85 1HG2 VAL 85 -13.312 -1.995 3.615 645 HG22 VAL 85 2HG2 VAL 85 -14.137 -2.069 2.058 646 HG23 VAL 85 3HG2 VAL 85 -13.028 -0.742 2.406 647 H ALA 86 HN ALA 86 -8.970 -3.921 3.651 648 HA ALA 86 HA ALA 86 -7.269 -3.549 1.336 649 HB1 ALA 86 1HB ALA 86 -5.574 -3.820 2.748 650 HB2 ALA 86 2HB ALA 86 -6.202 -5.378 3.281 651 HB3 ALA 86 3HB ALA 86 -6.753 -3.893 4.058 652 H TYR 87 HN TYR 87 -6.552 -5.109 0.006 653 HA TYR 87 HA TYR 87 -7.834 -7.756 0.250 654 HB2 TYR 87 2HB TYR 87 -7.313 -6.193 -2.297 655 HB3 TYR 87 1HB TYR 87 -7.957 -7.831 -2.216 656 HD1 TYR 87 1HD TYR 87 -8.618 -4.309 -1.180 657 HD2 TYR 87 2HD TYR 87 -10.249 -8.224 -1.839 658 HE1 TYR 87 1HE TYR 87 -10.909 -3.397 -0.907 659 HE2 TYR 87 2HE TYR 87 -12.543 -7.316 -1.566 660 HH TYR 87 HH TYR 87 -13.715 -5.209 -1.721 661 H ILE 88 HN ILE 88 -6.442 -9.416 0.154 662 HA ILE 88 HA ILE 88 -3.635 -8.852 -0.580 663 HB ILE 88 HB ILE 88 -4.431 -11.243 1.036 664 HG12 ILE 88 2HG1 ILE 88 -4.199 -8.384 2.016 665 HG13 ILE 88 1HG1 ILE 88 -5.580 -9.464 2.197 666 HG21 ILE 88 1HG2 ILE 88 -2.205 -11.240 1.653 667 HG22 ILE 88 2HG2 ILE 88 -2.072 -9.484 1.560 668 HG23 ILE 88 3HG2 ILE 88 -2.055 -10.450 0.084 669 HD11 ILE 88 1HD1 ILE 88 -3.626 -10.978 3.332 670 HD12 ILE 88 2HD1 ILE 88 -4.659 -9.877 4.243 671 HD13 ILE 88 3HD1 ILE 88 -3.051 -9.358 3.731 672 H ILE 89 HN ILE 89 -3.041 -9.641 -2.474 673 HA ILE 89 HA ILE 89 -4.329 -12.118 -3.428 674 HB ILE 89 HB ILE 89 -3.048 -10.507 -5.490 675 HG12 ILE 89 2HG1 ILE 89 -3.830 -8.654 -3.987 676 HG13 ILE 89 1HG1 ILE 89 -4.648 -8.678 -5.544 677 HG21 ILE 89 1HG2 ILE 89 -5.311 -10.806 -6.544 678 HG22 ILE 89 2HG2 ILE 89 -5.825 -11.642 -5.087 679 HG23 ILE 89 3HG2 ILE 89 -4.527 -12.311 -6.074 680 HD11 ILE 89 1HD1 ILE 89 -5.997 -10.341 -3.548 681 HD12 ILE 89 2HD1 ILE 89 -6.656 -9.105 -4.613 682 HD13 ILE 89 3HD1 ILE 89 -5.913 -8.641 -3.084 683 H ARG 90 HN ARG 90 -3.038 -13.559 -4.621 684 HA ARG 90 HA ARG 90 -0.205 -13.512 -3.842 685 HB2 ARG 90 2HB ARG 90 -0.464 -15.928 -4.954 686 HB3 ARG 90 1HB ARG 90 -0.928 -15.619 -3.281 687 HG2 ARG 90 2HG ARG 90 -3.251 -15.297 -3.934 688 HG3 ARG 90 1HG ARG 90 -2.825 -15.449 -5.640 689 HD2 ARG 90 2HD ARG 90 -1.791 -17.729 -4.263 690 HD3 ARG 90 1HD ARG 90 -3.475 -17.527 -3.790 691 HE ARG 90 HE ARG 90 -3.032 -17.308 -6.641 692 HH11 ARG 90 1HH1 ARG 90 -3.954 -18.963 -7.896 693 HH12 ARG 90 2HH1 ARG 90 -4.503 -20.418 -7.131 694 HH21 ARG 90 1HH2 ARG 90 -3.598 -19.399 -3.944 695 HH22 ARG 90 2HH2 ARG 90 -4.301 -20.665 -4.894 696 H SER 91 HN SER 91 0.939 -12.354 -5.299 697 HA SER 91 HA SER 91 0.457 -11.737 -7.887 698 HB2 SER 91 2HB SER 91 2.560 -10.943 -7.847 699 HB3 SER 91 1HB SER 91 2.659 -11.584 -6.210 700 HG SER 91 HG SER 91 3.992 -12.352 -8.377 701 H HIS 92 HN HIS 92 1.409 -12.571 -9.905 702 HA HIS 92 HA HIS 92 0.686 -15.316 -10.304 703 HB2 HIS 92 2HB HIS 92 1.985 -13.253 -12.094 704 HB3 HIS 92 1HB HIS 92 1.597 -14.889 -12.628 705 HD1 HIS 92 1HD HIS 92 -0.701 -13.206 -10.219 706 HD2 HIS 92 2HD HIS 92 -0.487 -13.861 -14.331 707 HE1 HIS 92 1HE HIS 92 -2.977 -12.615 -11.157 708 H VAL 93 HN VAL 93 3.368 -13.873 -9.019 709 HA VAL 93 HA VAL 93 5.154 -16.082 -9.846 710 HB VAL 93 HB VAL 93 5.868 -13.304 -8.872 711 HG11 VAL 93 1HG1 VAL 93 8.174 -14.163 -9.736 712 HG12 VAL 93 2HG1 VAL 93 7.474 -15.767 -9.524 713 HG13 VAL 93 3HG1 VAL 93 7.626 -14.682 -8.142 714 HG21 VAL 93 1HG2 VAL 93 6.405 -12.781 -11.097 715 HG22 VAL 93 2HG2 VAL 93 4.932 -13.732 -11.284 716 HG23 VAL 93 3HG2 VAL 93 6.504 -14.477 -11.573 717 H LYS 94 HN LYS 94 6.754 -16.706 -8.143 718 HA LYS 94 HA LYS 94 5.349 -17.156 -5.645 719 HB2 LYS 94 2HB LYS 94 6.924 -18.776 -7.017 720 HB3 LYS 94 1HB LYS 94 8.192 -17.982 -6.082 721 HG2 LYS 94 2HG LYS 94 7.651 -19.684 -4.615 722 HG3 LYS 94 1HG LYS 94 6.502 -18.462 -4.073 723 HD2 LYS 94 2HD LYS 94 4.790 -19.444 -5.597 724 HD3 LYS 94 1HD LYS 94 5.939 -20.712 -6.026 725 HE2 LYS 94 2HE LYS 94 5.955 -20.683 -3.231 726 HE3 LYS 94 1HE LYS 94 4.257 -20.481 -3.661 727 HZ1 LYS 94 1HZ LYS 94 4.300 -22.441 -4.948 728 HZ2 LYS 94 2HZ LYS 94 5.055 -22.832 -3.477 729 HZ3 LYS 94 3HZ LYS 94 5.990 -22.558 -4.869 730 H ASP 95 HN ASP 95 6.339 -16.755 -3.566 731 HA ASP 95 HA ASP 95 7.222 -15.341 -1.980 732 HB2 ASP 95 2HB ASP 95 9.330 -15.082 -4.131 733 HB3 ASP 95 1HB ASP 95 9.490 -14.388 -2.526 734 H HIS 96 HN HIS 96 5.378 -14.294 -4.152 735 HA HIS 96 HA HIS 96 5.901 -11.454 -3.612 736 HB2 HIS 96 2HB HIS 96 5.479 -12.742 -6.282 737 HB3 HIS 96 1HB HIS 96 4.980 -11.071 -6.013 738 HD1 HIS 96 1HD HIS 96 8.081 -13.255 -5.623 739 HD2 HIS 96 2HD HIS 96 7.065 -9.249 -6.169 740 HE1 HIS 96 1HE HIS 96 10.261 -11.996 -5.908 741 H TYR 97 HN TYR 97 4.125 -10.192 -3.218 742 HA TYR 97 HA TYR 97 1.473 -11.384 -3.634 743 HB2 TYR 97 2HB TYR 97 2.731 -10.734 -1.033 744 HB3 TYR 97 1HB TYR 97 1.037 -10.276 -1.234 745 HD1 TYR 97 1HD TYR 97 3.414 -13.108 -1.590 746 HD2 TYR 97 2HD TYR 97 -0.682 -11.905 -1.164 747 HE1 TYR 97 1HE TYR 97 2.747 -15.485 -1.300 748 HE2 TYR 97 2HE TYR 97 -1.356 -14.271 -0.879 749 HH TYR 97 HH TYR 97 1.014 -16.903 -1.191 750 H ILE 98 HN ILE 98 -0.114 -9.989 -4.139 751 HA ILE 98 HA ILE 98 0.658 -7.197 -4.517 752 HB ILE 98 HB ILE 98 -1.936 -8.491 -5.362 753 HG12 ILE 98 2HG1 ILE 98 -0.031 -9.850 -6.238 754 HG13 ILE 98 1HG1 ILE 98 -0.976 -9.080 -7.505 755 HG21 ILE 98 1HG2 ILE 98 -1.528 -6.737 -7.272 756 HG22 ILE 98 2HG2 ILE 98 -0.463 -5.989 -6.088 757 HG23 ILE 98 3HG2 ILE 98 -2.167 -6.222 -5.712 758 HD11 ILE 98 1HD1 ILE 98 0.879 -8.093 -8.289 759 HD12 ILE 98 2HD1 ILE 98 1.823 -8.858 -7.016 760 HD13 ILE 98 3HD1 ILE 98 1.117 -7.268 -6.750 761 H PHE 99 HN PHE 99 -0.101 -5.640 -3.178 762 HA PHE 99 HA PHE 99 -2.262 -6.402 -1.328 763 HB2 PHE 99 2HB PHE 99 -0.021 -6.078 -0.279 764 HB3 PHE 99 1HB PHE 99 0.003 -4.441 -0.922 765 HD1 PHE 99 1HD PHE 99 -1.160 -6.585 1.711 766 HD2 PHE 99 2HD PHE 99 -1.844 -2.830 -0.257 767 HE1 PHE 99 1HE PHE 99 -2.468 -5.804 3.668 768 HE2 PHE 99 2HE PHE 99 -3.144 -2.040 1.699 769 HZ PHE 99 HZ PHE 99 -3.455 -3.525 3.667 770 H TYR 100 HN TYR 100 -4.051 -5.195 -1.468 771 HA TYR 100 HA TYR 100 -3.879 -2.539 -2.761 772 HB2 TYR 100 2HB TYR 100 -4.600 -4.097 -4.460 773 HB3 TYR 100 1HB TYR 100 -5.791 -4.802 -3.374 774 HD1 TYR 100 1HD TYR 100 -4.800 -1.438 -4.677 775 HD2 TYR 100 2HD TYR 100 -7.997 -4.086 -3.594 776 HE1 TYR 100 1HE TYR 100 -6.444 0.234 -5.477 777 HE2 TYR 100 2HE TYR 100 -9.649 -2.411 -4.388 778 HH TYR 100 HH TYR 100 -9.059 -0.062 -6.395 779 H SER 101 HN SER 101 -5.560 -1.109 -2.184 780 HA SER 101 HA SER 101 -7.475 -1.915 -0.188 781 HB2 SER 101 2HB SER 101 -6.708 -0.663 1.642 782 HB3 SER 101 1HB SER 101 -5.268 -1.462 1.031 783 HG SER 101 HG SER 101 -6.117 1.166 0.367 784 H GLU 102 HN GLU 102 -9.105 -0.465 0.197 785 HA GLU 102 HA GLU 102 -9.116 1.995 -1.459 786 HB2 GLU 102 2HB GLU 102 -11.174 -0.209 -1.299 787 HB3 GLU 102 1HB GLU 102 -11.635 1.434 -1.740 788 HG2 GLU 102 2HG GLU 102 -9.263 0.409 -3.144 789 HG3 GLU 102 1HG GLU 102 -10.754 -0.450 -3.520 790 H GLY 103 HN GLY 103 -10.162 3.707 -0.579 791 HA2 GLY 103 2HA GLY 103 -11.878 3.550 1.698 792 HA3 GLY 103 1HA GLY 103 -10.263 4.057 2.170 793 H GLU 104 HN GLU 104 -10.888 6.110 2.780 794 HA GLU 104 HA GLU 104 -11.221 7.996 0.578 795 HB2 GLU 104 2HB GLU 104 -13.365 7.275 2.441 796 HB3 GLU 104 1HB GLU 104 -13.028 9.006 2.405 797 HG2 GLU 104 2HG GLU 104 -13.240 9.000 -0.053 798 HG3 GLU 104 1HG GLU 104 -13.576 7.269 -0.020 799 H LEU 105 HN LEU 105 -10.285 9.956 1.004 800 HA LEU 105 HA LEU 105 -9.367 10.471 3.757 801 HB2 LEU 105 2HB LEU 105 -7.640 9.651 1.803 802 HB3 LEU 105 1HB LEU 105 -7.580 11.402 1.601 803 HG LEU 105 HG LEU 105 -7.311 11.482 4.183 804 HD11 LEU 105 1HD1 LEU 105 -6.930 9.557 5.335 805 HD12 LEU 105 2HD1 LEU 105 -5.984 8.850 4.026 806 HD13 LEU 105 3HD1 LEU 105 -7.746 8.787 3.975 807 HD21 LEU 105 1HD2 LEU 105 -5.055 10.264 2.563 808 HD22 LEU 105 2HD2 LEU 105 -4.899 11.280 3.993 809 HD23 LEU 105 3HD2 LEU 105 -5.510 11.967 2.489 810 H HIS 106 HN HIS 106 -10.345 12.257 4.385 811 HA HIS 106 HA HIS 106 -11.203 14.369 4.414 812 HB2 HIS 106 2HB HIS 106 -9.482 14.855 1.977 813 HB3 HIS 106 1HB HIS 106 -10.185 16.079 3.029 814 HD1 HIS 106 1HD HIS 106 -8.437 12.880 4.099 815 HD2 HIS 106 2HD HIS 106 -7.920 17.008 4.348 816 HE1 HIS 106 1HE HIS 106 -6.441 13.263 5.612 817 H GLY 107 HN GLY 107 -12.442 12.203 2.866 818 HA2 GLY 107 2HA GLY 107 -14.504 12.088 1.797 819 HA3 GLY 107 1HA GLY 107 -14.441 13.830 1.547 820 H LYS 108 HN LYS 108 -11.691 11.901 0.629 821 HA LYS 108 HA LYS 108 -12.519 12.067 -2.204 822 HB2 LYS 108 2HB LYS 108 -9.856 12.772 -0.976 823 HB3 LYS 108 1HB LYS 108 -10.066 12.461 -2.699 824 HG2 LYS 108 2HG LYS 108 -11.524 14.311 -2.971 825 HG3 LYS 108 1HG LYS 108 -11.785 14.464 -1.233 826 HD2 LYS 108 2HD LYS 108 -10.236 16.206 -2.078 827 HD3 LYS 108 1HD LYS 108 -9.445 15.138 -0.919 828 HE2 LYS 108 2HE LYS 108 -9.320 14.397 -3.812 829 HE3 LYS 108 1HE LYS 108 -8.302 15.724 -3.254 830 HZ1 LYS 108 1HZ LYS 108 -6.925 14.279 -2.334 831 HZ2 LYS 108 2HZ LYS 108 -7.844 13.002 -2.971 832 HZ3 LYS 108 3HZ LYS 108 -8.173 13.595 -1.414 833 HA PRO 109 HA PRO 109 -11.907 7.574 -1.627 834 HB2 PRO 109 2HB PRO 109 -11.686 7.799 -4.605 835 HB3 PRO 109 1HB PRO 109 -12.590 6.627 -3.629 836 HG2 PRO 109 2HG PRO 109 -13.810 8.661 -4.834 837 HG3 PRO 109 1HG PRO 109 -14.322 8.082 -3.239 838 HD2 PRO 109 2HD PRO 109 -12.889 10.584 -3.953 839 HD3 PRO 109 1HD PRO 109 -13.934 10.240 -2.558 840 H VAL 110 HN VAL 110 -10.059 6.467 -1.277 841 HA VAL 110 HA VAL 110 -7.648 7.222 -2.803 842 HB VAL 110 HB VAL 110 -7.212 8.254 -0.766 843 HG11 VAL 110 1HG1 VAL 110 -8.820 6.009 0.354 844 HG12 VAL 110 2HG1 VAL 110 -8.909 7.735 0.701 845 HG13 VAL 110 3HG1 VAL 110 -7.617 6.760 1.401 846 HG21 VAL 110 1HG2 VAL 110 -5.430 6.588 -1.415 847 HG22 VAL 110 2HG2 VAL 110 -6.156 5.452 -0.268 848 HG23 VAL 110 3HG2 VAL 110 -5.472 6.965 0.307 849 H ARG 111 HN ARG 111 -6.800 5.586 -3.805 850 HA ARG 111 HA ARG 111 -7.023 2.889 -2.666 851 HB2 ARG 111 2HB ARG 111 -7.134 2.808 -5.555 852 HB3 ARG 111 1HB ARG 111 -8.224 2.082 -4.381 853 HG2 ARG 111 2HG ARG 111 -9.518 3.629 -5.697 854 HG3 ARG 111 1HG ARG 111 -9.304 4.355 -4.108 855 HD2 ARG 111 2HD ARG 111 -8.409 6.158 -5.111 856 HD3 ARG 111 1HD ARG 111 -7.061 5.149 -5.624 857 HE ARG 111 HE ARG 111 -9.360 4.918 -7.348 858 HH11 ARG 111 1HH1 ARG 111 -9.118 5.775 -9.437 859 HH12 ARG 111 2HH1 ARG 111 -7.805 6.853 -9.779 860 HH21 ARG 111 1HH2 ARG 111 -6.532 6.745 -6.556 861 HH22 ARG 111 2HH2 ARG 111 -6.342 7.402 -8.147 862 H GLY 112 HN GLY 112 -5.133 1.723 -2.766 863 HA2 GLY 112 2HA GLY 112 -3.093 2.572 -4.704 864 HA3 GLY 112 1HA GLY 112 -2.679 2.578 -2.998 865 H VAL 113 HN VAL 113 -1.608 1.040 -5.235 866 HA VAL 113 HA VAL 113 -2.151 -1.703 -4.293 867 HB VAL 113 HB VAL 113 -0.696 -1.135 -6.847 868 HG11 VAL 113 1HG1 VAL 113 -1.355 -3.283 -7.407 869 HG12 VAL 113 2HG1 VAL 113 -2.867 -3.158 -6.498 870 HG13 VAL 113 3HG1 VAL 113 -1.348 -3.421 -5.644 871 HG21 VAL 113 1HG2 VAL 113 -3.193 -1.340 -7.825 872 HG22 VAL 113 2HG2 VAL 113 -2.428 0.214 -7.498 873 HG23 VAL 113 3HG2 VAL 113 -3.553 -0.475 -6.334 874 H LYS 114 HN LYS 114 -0.412 -2.837 -3.482 875 HA LYS 114 HA LYS 114 2.258 -1.641 -3.838 876 HB2 LYS 114 2HB LYS 114 1.736 -2.998 -1.253 877 HB3 LYS 114 1HB LYS 114 2.785 -1.642 -1.618 878 HG2 LYS 114 2HG LYS 114 -0.220 -1.301 -1.725 879 HG3 LYS 114 1HG LYS 114 0.649 -1.201 -0.201 880 HD2 LYS 114 2HD LYS 114 2.099 0.559 -1.117 881 HD3 LYS 114 1HD LYS 114 1.251 0.466 -2.659 882 HE2 LYS 114 2HE LYS 114 -0.847 0.794 -0.938 883 HE3 LYS 114 1HE LYS 114 0.407 1.722 -0.120 884 HZ1 LYS 114 1HZ LYS 114 -0.825 3.079 -1.695 885 HZ2 LYS 114 2HZ LYS 114 -0.396 2.034 -2.962 886 HZ3 LYS 114 3HZ LYS 114 0.799 2.939 -2.163 887 H LEU 115 HN LEU 115 3.774 -3.038 -4.544 888 HA LEU 115 HA LEU 115 3.109 -5.907 -4.629 889 HB2 LEU 115 2HB LEU 115 3.783 -5.029 -6.779 890 HB3 LEU 115 1HB LEU 115 5.184 -4.233 -6.086 891 HG LEU 115 HG LEU 115 6.212 -6.398 -5.592 892 HD11 LEU 115 1HD1 LEU 115 4.515 -7.895 -5.040 893 HD12 LEU 115 2HD1 LEU 115 4.896 -8.419 -6.679 894 HD13 LEU 115 3HD1 LEU 115 3.497 -7.386 -6.386 895 HD21 LEU 115 1HD2 LEU 115 6.200 -7.363 -8.004 896 HD22 LEU 115 2HD2 LEU 115 6.774 -5.708 -7.774 897 HD23 LEU 115 3HD2 LEU 115 5.146 -5.999 -8.379 898 H VAL 116 HN VAL 116 4.074 -7.260 -3.251 899 HA VAL 116 HA VAL 116 6.566 -6.343 -1.996 900 HB VAL 116 HB VAL 116 5.857 -6.999 0.142 901 HG11 VAL 116 1HG1 VAL 116 4.586 -5.032 -1.076 902 HG12 VAL 116 2HG1 VAL 116 4.038 -5.583 0.505 903 HG13 VAL 116 3HG1 VAL 116 3.205 -6.122 -0.954 904 HG21 VAL 116 1HG2 VAL 116 3.457 -8.333 -1.149 905 HG22 VAL 116 2HG2 VAL 116 3.807 -8.271 0.576 906 HG23 VAL 116 3HG2 VAL 116 4.845 -9.196 -0.501 907 H GLY 117 HN GLY 117 8.203 -7.800 -1.782 908 HA2 GLY 117 2HA GLY 117 7.852 -10.331 -3.211 909 HA3 GLY 117 1HA GLY 117 9.376 -9.603 -2.747 910 H ARG 118 HN ARG 118 10.419 -10.800 -1.387 911 HA ARG 118 HA ARG 118 9.557 -11.430 1.193 912 HB2 ARG 118 2HB ARG 118 8.412 -13.357 0.985 913 HB3 ARG 118 1HB ARG 118 8.529 -13.232 -0.755 914 HG2 ARG 118 2HG ARG 118 9.419 -15.358 -0.221 915 HG3 ARG 118 1HG ARG 118 10.827 -14.370 -0.559 916 HD2 ARG 118 2HD ARG 118 10.152 -15.800 1.842 917 HD3 ARG 118 1HD ARG 118 11.625 -14.907 1.485 918 HE ARG 118 HE ARG 118 9.848 -12.951 2.174 919 HH11 ARG 118 1HH1 ARG 118 9.532 -12.243 4.308 920 HH12 ARG 118 2HH1 ARG 118 9.874 -13.310 5.630 921 HH21 ARG 118 1HH2 ARG 118 10.872 -15.936 3.598 922 HH22 ARG 118 2HH2 ARG 118 10.633 -15.400 5.227 923 H ASP 119 HN ASP 119 11.671 -11.512 -1.443 924 HA ASP 119 HA ASP 119 13.916 -12.070 0.370 925 HB2 ASP 119 2HB ASP 119 13.106 -13.693 -1.923 926 HB3 ASP 119 1HB ASP 119 14.793 -13.183 -1.989 927 HA PRO 120 HA PRO 120 15.839 -8.429 -1.277 928 HB2 PRO 120 2HB PRO 120 18.184 -10.137 -1.962 929 HB3 PRO 120 1HB PRO 120 18.119 -8.631 -1.031 930 HG2 PRO 120 2HG PRO 120 18.396 -11.089 0.084 931 HG3 PRO 120 1HG PRO 120 17.679 -9.699 0.910 932 HD2 PRO 120 2HD PRO 120 16.372 -12.146 -0.034 933 HD3 PRO 120 1HD PRO 120 15.757 -10.891 1.063 934 H LYS 121 HN LYS 121 15.872 -11.429 -3.096 935 HA LYS 121 HA LYS 121 16.643 -10.334 -5.608 936 HB2 LYS 121 2HB LYS 121 16.081 -12.433 -6.534 937 HB3 LYS 121 1HB LYS 121 16.637 -12.797 -4.900 938 HG2 LYS 121 2HG LYS 121 14.157 -12.610 -4.212 939 HG3 LYS 121 1HG LYS 121 13.805 -12.721 -5.937 940 HD2 LYS 121 2HD LYS 121 15.218 -14.825 -5.988 941 HD3 LYS 121 1HD LYS 121 15.256 -14.754 -4.226 942 HE2 LYS 121 2HE LYS 121 13.440 -16.232 -5.066 943 HE3 LYS 121 1HE LYS 121 12.815 -14.870 -4.137 944 HZ1 LYS 121 1HZ LYS 121 13.129 -14.334 -6.950 945 HZ2 LYS 121 2HZ LYS 121 11.814 -14.014 -5.922 946 HZ3 LYS 121 3HZ LYS 121 12.001 -15.556 -6.612 947 H ASN 122 HN ASN 122 15.142 -10.428 -7.545 948 HA ASN 122 HA ASN 122 12.434 -9.477 -6.853 949 HB2 ASN 122 2HB ASN 122 12.711 -7.805 -8.741 950 HB3 ASN 122 1HB ASN 122 13.642 -7.468 -7.283 951 HD21 ASN 122 1HD2 ASN 122 15.539 -6.512 -8.110 952 HD22 ASN 122 2HD2 ASN 122 16.531 -7.236 -9.280 953 H ASN 123 HN ASN 123 11.038 -9.353 -8.876 954 HA ASN 123 HA ASN 123 11.763 -11.346 -10.903 955 HB2 ASN 123 2HB ASN 123 9.512 -11.569 -8.942 956 HB3 ASN 123 1HB ASN 123 9.290 -12.190 -10.578 957 HD21 ASN 123 1HD2 ASN 123 9.868 -14.350 -10.765 958 HD22 ASN 123 2HD2 ASN 123 11.064 -15.124 -9.842 959 H LEU 124 HN LEU 124 11.823 -9.757 -12.456 960 HA LEU 124 HA LEU 124 10.192 -7.613 -12.893 961 HB2 LEU 124 2HB LEU 124 10.670 -7.966 -15.345 962 HB3 LEU 124 1HB LEU 124 12.094 -7.963 -14.307 963 HG LEU 124 HG LEU 124 10.956 -10.630 -14.516 964 HD11 LEU 124 1HD1 LEU 124 10.222 -9.836 -16.730 965 HD12 LEU 124 2HD1 LEU 124 11.540 -10.997 -16.892 966 HD13 LEU 124 3HD1 LEU 124 11.856 -9.273 -17.076 967 HD21 LEU 124 1HD2 LEU 124 13.262 -11.199 -15.003 968 HD22 LEU 124 2HD2 LEU 124 13.261 -9.956 -13.751 969 HD23 LEU 124 3HD2 LEU 124 13.632 -9.525 -15.420 970 H GLU 125 HN GLU 125 9.446 -10.981 -13.333 971 HA GLU 125 HA GLU 125 7.143 -10.641 -14.980 972 HB2 GLU 125 2HB GLU 125 8.431 -12.838 -13.488 973 HB3 GLU 125 1HB GLU 125 6.678 -12.975 -13.632 974 HG2 GLU 125 2HG GLU 125 7.943 -14.045 -15.527 975 HG3 GLU 125 1HG GLU 125 6.796 -12.809 -16.040 976 H ALA 126 HN ALA 126 7.770 -10.651 -11.541 977 HA ALA 126 HA ALA 126 5.036 -10.684 -10.730 978 HB1 ALA 126 1HB ALA 126 7.128 -11.230 -9.310 979 HB2 ALA 126 2HB ALA 126 5.843 -10.295 -8.544 980 HB3 ALA 126 3HB ALA 126 7.294 -9.483 -9.132 981 H LEU 127 HN LEU 127 7.473 -8.180 -11.385 982 HA LEU 127 HA LEU 127 5.963 -5.973 -10.549 983 HB2 LEU 127 2HB LEU 127 8.379 -6.452 -12.061 984 HB3 LEU 127 1HB LEU 127 7.447 -5.148 -12.787 985 HG LEU 127 HG LEU 127 8.056 -5.276 -9.823 986 HD11 LEU 127 1HD1 LEU 127 10.182 -5.156 -11.005 987 HD12 LEU 127 2HD1 LEU 127 9.811 -3.568 -10.334 988 HD13 LEU 127 3HD1 LEU 127 9.566 -3.879 -12.052 989 HD21 LEU 127 1HD2 LEU 127 6.906 -3.324 -9.706 990 HD22 LEU 127 2HD2 LEU 127 6.260 -3.753 -11.289 991 HD23 LEU 127 3HD2 LEU 127 7.665 -2.695 -11.167 992 H GLU 128 HN GLU 128 6.053 -7.717 -13.631 993 HA GLU 128 HA GLU 128 4.351 -5.934 -15.029 994 HB2 GLU 128 2HB GLU 128 5.809 -8.043 -15.799 995 HB3 GLU 128 1HB GLU 128 4.251 -8.851 -15.630 996 HG2 GLU 128 2HG GLU 128 4.277 -8.086 -17.871 997 HG3 GLU 128 1HG GLU 128 3.289 -6.906 -17.013 998 H ASP 129 HN ASP 129 3.784 -8.842 -13.108 999 HA ASP 129 HA ASP 129 1.006 -9.022 -13.508 1000 HB2 ASP 129 2HB ASP 129 2.294 -10.839 -12.478 1001 HB3 ASP 129 1HB ASP 129 2.639 -9.816 -11.083 1002 H PHE 130 HN PHE 130 2.937 -7.247 -11.114 1003 HA PHE 130 HA PHE 130 0.702 -6.224 -9.685 1004 HB2 PHE 130 2HB PHE 130 2.825 -6.169 -8.616 1005 HB3 PHE 130 1HB PHE 130 3.583 -5.382 -10.003 1006 HD1 PHE 130 1HD PHE 130 1.297 -4.948 -7.163 1007 HD2 PHE 130 2HD PHE 130 3.374 -2.994 -10.361 1008 HE1 PHE 130 1HE PHE 130 0.802 -2.773 -6.149 1009 HE2 PHE 130 2HE PHE 130 2.865 -0.788 -9.341 1010 HZ PHE 130 HZ PHE 130 1.575 -0.681 -7.222 1011 H GLU 131 HN GLU 131 2.780 -5.018 -12.272 1012 HA GLU 131 HA GLU 131 1.571 -2.517 -12.630 1013 HB2 GLU 131 2HB GLU 131 3.727 -3.283 -13.690 1014 HB3 GLU 131 1HB GLU 131 2.763 -4.238 -14.817 1015 HG2 GLU 131 2HG GLU 131 1.686 -2.268 -15.685 1016 HG3 GLU 131 1HG GLU 131 2.400 -1.259 -14.428 1017 H LYS 132 HN LYS 132 0.421 -5.688 -13.248 1018 HA LYS 132 HA LYS 132 -1.508 -4.835 -15.227 1019 HB2 LYS 132 2HB LYS 132 -0.486 -7.351 -14.244 1020 HB3 LYS 132 1HB LYS 132 -2.244 -7.334 -14.116 1021 HG2 LYS 132 2HG LYS 132 -0.731 -6.560 -16.624 1022 HG3 LYS 132 1HG LYS 132 -1.396 -8.169 -16.334 1023 HD2 LYS 132 2HD LYS 132 -3.476 -7.493 -16.876 1024 HD3 LYS 132 1HD LYS 132 -3.361 -6.109 -15.787 1025 HE2 LYS 132 2HE LYS 132 -2.266 -4.775 -17.463 1026 HE3 LYS 132 1HE LYS 132 -2.061 -6.172 -18.522 1027 HZ1 LYS 132 1HZ LYS 132 -4.093 -5.905 -19.331 1028 HZ2 LYS 132 2HZ LYS 132 -4.164 -4.412 -18.523 1029 HZ3 LYS 132 3HZ LYS 132 -4.787 -5.812 -17.787 1030 H ALA 133 HN ALA 133 -1.266 -5.657 -11.825 1031 HA ALA 133 HA ALA 133 -4.011 -5.386 -11.196 1032 HB1 ALA 133 1HB ALA 133 -2.071 -6.326 -9.740 1033 HB2 ALA 133 2HB ALA 133 -3.362 -5.431 -8.936 1034 HB3 ALA 133 3HB ALA 133 -1.820 -4.644 -9.271 1035 H ALA 134 HN ALA 134 -1.313 -3.047 -10.926 1036 HA ALA 134 HA ALA 134 -2.820 -0.880 -10.085 1037 HB1 ALA 134 1HB ALA 134 -0.318 -0.971 -10.201 1038 HB2 ALA 134 2HB ALA 134 -0.982 0.482 -10.940 1039 HB3 ALA 134 3HB ALA 134 -0.434 -0.850 -11.956 1040 H GLY 135 HN GLY 135 -2.034 -2.065 -13.336 1041 HA2 GLY 135 2HA GLY 135 -3.400 -0.067 -14.742 1042 HA3 GLY 135 1HA GLY 135 -3.121 -1.703 -15.345 1043 H ALA 136 HN ALA 136 -4.441 -3.276 -13.694 1044 HA ALA 136 HA ALA 136 -7.105 -3.159 -14.481 1045 HB1 ALA 136 1HB ALA 136 -5.921 -5.198 -13.644 1046 HB2 ALA 136 2HB ALA 136 -7.497 -4.949 -12.895 1047 HB3 ALA 136 3HB ALA 136 -6.028 -4.535 -12.014 1048 H ARG 137 HN ARG 137 -5.481 -1.355 -12.078 1049 HA ARG 137 HA ARG 137 -8.055 -0.601 -10.837 1050 HB2 ARG 137 2HB ARG 137 -5.400 -1.134 -9.729 1051 HB3 ARG 137 1HB ARG 137 -6.037 0.434 -9.242 1052 HG2 ARG 137 2HG ARG 137 -6.752 -1.214 -7.619 1053 HG3 ARG 137 1HG ARG 137 -8.165 -0.713 -8.544 1054 HD2 ARG 137 2HD ARG 137 -8.068 -2.716 -9.896 1055 HD3 ARG 137 1HD ARG 137 -6.512 -3.164 -9.205 1056 HE ARG 137 HE ARG 137 -7.630 -3.967 -7.322 1057 HH11 ARG 137 1HH1 ARG 137 -9.520 -4.526 -6.191 1058 HH12 ARG 137 2HH1 ARG 137 -11.047 -3.883 -6.696 1059 HH21 ARG 137 1HH2 ARG 137 -9.712 -2.070 -9.333 1060 HH22 ARG 137 2HH2 ARG 137 -11.156 -2.492 -8.475 1061 H GLY 138 HN GLY 138 -5.942 0.275 -13.138 1062 HA2 GLY 138 2HA GLY 138 -5.702 2.228 -14.356 1063 HA3 GLY 138 1HA GLY 138 -6.916 2.962 -13.312 1064 H LEU 139 HN LEU 139 -3.852 1.511 -12.380 1065 HA LEU 139 HA LEU 139 -2.874 4.161 -11.518 1066 HB2 LEU 139 2HB LEU 139 -2.815 1.530 -10.033 1067 HB3 LEU 139 1HB LEU 139 -1.853 2.926 -9.562 1068 HG LEU 139 HG LEU 139 -4.867 2.967 -9.885 1069 HD11 LEU 139 1HD1 LEU 139 -3.148 2.633 -7.412 1070 HD12 LEU 139 2HD1 LEU 139 -4.316 1.481 -8.055 1071 HD13 LEU 139 3HD1 LEU 139 -4.871 3.009 -7.374 1072 HD21 LEU 139 1HD2 LEU 139 -2.782 4.964 -9.100 1073 HD22 LEU 139 2HD2 LEU 139 -4.313 5.005 -8.232 1074 HD23 LEU 139 3HD2 LEU 139 -4.288 5.201 -9.983 1075 H SER 140 HN SER 140 -2.380 2.145 -13.829 1076 HA SER 140 HA SER 140 0.472 1.600 -13.425 1077 HB2 SER 140 2HB SER 140 0.335 0.263 -15.421 1078 HB3 SER 140 1HB SER 140 -1.063 -0.125 -14.423 1079 HG SER 140 HG SER 140 -1.156 1.895 -16.394 1080 H THR 141 HN THR 141 -0.258 4.314 -13.560 1081 HA THR 141 HA THR 141 1.571 5.262 -15.510 1082 HB THR 141 HB THR 141 -0.579 4.684 -16.861 1083 HG1 THR 141 1HG THR 141 1.109 6.835 -16.902 1084 HG21 THR 141 1HG2 THR 141 -1.464 7.393 -15.914 1085 HG22 THR 141 2HG2 THR 141 -1.939 5.952 -15.015 1086 HG23 THR 141 3HG2 THR 141 -2.406 6.129 -16.707 1087 H GLU 142 HN GLU 142 0.306 5.418 -12.678 1088 HA GLU 142 HA GLU 142 -0.161 8.297 -12.462 1089 HB2 GLU 142 2HB GLU 142 -0.669 7.753 -10.083 1090 HB3 GLU 142 1HB GLU 142 -1.659 6.846 -11.228 1091 HG2 GLU 142 2HG GLU 142 -0.871 4.896 -10.439 1092 HG3 GLU 142 1HG GLU 142 0.787 5.410 -10.731 1093 H SER 143 HN SER 143 1.013 7.438 -9.568 1094 HA SER 143 HA SER 143 3.564 8.751 -10.064 1095 HB2 SER 143 2HB SER 143 3.653 9.164 -7.734 1096 HB3 SER 143 1HB SER 143 1.976 9.426 -8.205 1097 HG SER 143 HG SER 143 3.018 6.983 -7.195 1098 H ILE 144 HN ILE 144 2.428 5.574 -9.786 1099 HA ILE 144 HA ILE 144 3.647 3.843 -8.484 1100 HB ILE 144 HB ILE 144 2.830 3.728 -10.953 1101 HG12 ILE 144 2HG1 ILE 144 2.978 1.824 -9.489 1102 HG13 ILE 144 1HG1 ILE 144 3.656 1.391 -11.054 1103 HG21 ILE 144 1HG2 ILE 144 5.784 3.292 -11.380 1104 HG22 ILE 144 2HG2 ILE 144 4.956 4.788 -11.821 1105 HG23 ILE 144 3HG2 ILE 144 4.502 3.271 -12.589 1106 HD11 ILE 144 1HD1 ILE 144 5.244 0.550 -9.555 1107 HD12 ILE 144 2HD1 ILE 144 5.076 1.917 -8.461 1108 HD13 ILE 144 3HD1 ILE 144 5.928 2.112 -9.990 1109 H LEU 145 HN LEU 145 5.346 3.654 -7.325 1110 HA LEU 145 HA LEU 145 7.948 4.436 -8.444 1111 HB2 LEU 145 2HB LEU 145 7.382 6.205 -6.930 1112 HB3 LEU 145 1HB LEU 145 6.816 5.071 -5.711 1113 HG LEU 145 HG LEU 145 9.192 4.229 -5.476 1114 HD11 LEU 145 1HD1 LEU 145 10.985 5.688 -6.388 1115 HD12 LEU 145 2HD1 LEU 145 9.767 6.590 -7.292 1116 HD13 LEU 145 3HD1 LEU 145 10.070 4.897 -7.667 1117 HD21 LEU 145 1HD2 LEU 145 9.017 5.669 -3.755 1118 HD22 LEU 145 2HD2 LEU 145 8.107 6.828 -4.723 1119 HD23 LEU 145 3HD2 LEU 145 9.870 6.832 -4.771 1120 H ILE 146 HN ILE 146 9.680 3.183 -7.806 1121 HA ILE 146 HA ILE 146 9.012 0.625 -6.497 1122 HB ILE 146 HB ILE 146 11.310 1.223 -8.368 1123 HG12 ILE 146 2HG1 ILE 146 9.600 -0.584 -9.596 1124 HG13 ILE 146 1HG1 ILE 146 8.492 0.565 -8.844 1125 HG21 ILE 146 1HG2 ILE 146 12.073 -0.826 -7.812 1126 HG22 ILE 146 2HG2 ILE 146 10.492 -1.542 -8.127 1127 HG23 ILE 146 3HG2 ILE 146 10.860 -0.882 -6.533 1128 HD11 ILE 146 1HD1 ILE 146 8.983 1.463 -11.002 1129 HD12 ILE 146 2HD1 ILE 146 10.709 1.147 -10.817 1130 HD13 ILE 146 3HD1 ILE 146 9.936 2.412 -9.861 1131 HA PRO 147 HA PRO 147 11.823 2.973 -3.673 1132 HB2 PRO 147 2HB PRO 147 10.789 1.971 -1.328 1133 HB3 PRO 147 1HB PRO 147 10.190 3.428 -2.142 1134 HG2 PRO 147 2HG PRO 147 9.066 0.694 -2.084 1135 HG3 PRO 147 1HG PRO 147 8.241 2.258 -2.166 1136 HD2 PRO 147 2HD PRO 147 8.592 0.567 -4.314 1137 HD3 PRO 147 1HD PRO 147 8.324 2.319 -4.458 1138 H ARG 148 HN ARG 148 13.715 2.278 -2.872 1139 HA ARG 148 HA ARG 148 14.655 -0.306 -3.394 1140 HB2 ARG 148 2HB ARG 148 15.809 1.508 -1.277 1141 HB3 ARG 148 1HB ARG 148 16.654 0.327 -2.278 1142 HG2 ARG 148 2HG ARG 148 15.365 2.900 -3.220 1143 HG3 ARG 148 1HG ARG 148 17.090 2.546 -3.156 1144 HD2 ARG 148 2HD ARG 148 16.446 0.503 -4.673 1145 HD3 ARG 148 1HD ARG 148 15.009 1.459 -5.025 1146 HE ARG 148 HE ARG 148 17.629 1.931 -6.038 1147 HH11 ARG 148 1HH1 ARG 148 17.968 3.837 -7.224 1148 HH12 ARG 148 2HH1 ARG 148 16.841 5.145 -7.093 1149 HH21 ARG 148 1HH2 ARG 148 14.785 3.497 -4.837 1150 HH22 ARG 148 2HH2 ARG 148 15.039 4.953 -5.741 1151 H GLN 149 HN GLN 149 16.043 -0.531 -0.733 1152 HA GLN 149 HA GLN 149 13.842 -1.663 0.876 1153 HB2 GLN 149 2HB GLN 149 16.462 -3.107 0.580 1154 HB3 GLN 149 1HB GLN 149 14.912 -3.731 1.143 1155 HG2 GLN 149 2HG GLN 149 15.577 -2.886 -1.692 1156 HG3 GLN 149 1HG GLN 149 15.344 -4.538 -1.125 1157 HE21 GLN 149 1HE2 GLN 149 13.725 -3.220 -3.195 1158 HE22 GLN 149 2HE2 GLN 149 12.135 -3.160 -2.602 1159 H SER 150 HN SER 150 14.982 0.795 1.395 1160 HA SER 150 HA SER 150 17.225 0.882 3.033 1161 HB2 SER 150 2HB SER 150 15.711 2.805 2.167 1162 HB3 SER 150 1HB SER 150 14.780 2.526 3.636 1163 HG SER 150 HG SER 150 16.585 2.981 4.844 1164 H GLU 151 HN GLU 151 17.316 -0.963 4.340 1165 HA GLU 151 HA GLU 151 15.562 -2.214 5.916 1166 HB2 GLU 151 2HB GLU 151 18.369 -1.868 5.948 1167 HB3 GLU 151 1HB GLU 151 17.810 -1.653 7.607 1168 HG2 GLU 151 2HG GLU 151 16.547 -3.776 7.445 1169 HG3 GLU 151 1HG GLU 151 17.150 -4.000 5.804 1170 H THR 152 HN THR 152 16.637 1.077 6.415 1171 HA THR 152 HA THR 152 14.556 1.432 8.419 1172 HB THR 152 HB THR 152 16.244 0.941 9.968 1173 HG1 THR 152 1HG THR 152 17.113 3.269 10.380 1174 HG21 THR 152 1HG2 THR 152 18.538 2.309 9.487 1175 HG22 THR 152 2HG2 THR 152 18.000 2.009 7.835 1176 HG23 THR 152 3HG2 THR 152 18.260 0.657 8.936 1177 H CYS 153 HN CYS 153 14.401 3.803 9.026 1178 HA CYS 153 HA CYS 153 14.990 5.442 6.639 1179 HB2 CYS 153 2HB CYS 153 13.016 6.631 7.013 1180 HB3 CYS 153 1HB CYS 153 12.559 4.985 7.447 1181 H SER 154 HN SER 154 16.269 7.167 6.833 1182 HA SER 154 HA SER 154 16.485 8.848 9.046 1183 HB2 SER 154 2HB SER 154 17.927 6.399 9.399 1184 HB3 SER 154 1HB SER 154 19.081 7.720 9.232 1185 HG SER 154 HG SER 154 16.984 7.385 11.092 1186 HA PRO 155 HA PRO 155 19.902 9.849 5.942 1187 HB2 PRO 155 2HB PRO 155 20.579 8.076 3.996 1188 HB3 PRO 155 1HB PRO 155 21.263 8.016 5.629 1189 HG2 PRO 155 2HG PRO 155 19.253 6.276 4.367 1190 HG3 PRO 155 1HG PRO 155 20.389 5.930 5.676 1191 HD2 PRO 155 2HD PRO 155 17.623 6.534 5.935 1192 HD3 PRO 155 1HD PRO 155 18.807 6.370 7.245 1193 H GLY 156 HN GLY 156 18.354 7.658 3.616 1194 HA2 GLY 156 2HA GLY 156 16.254 8.687 2.525 1195 HA3 GLY 156 1HA GLY 156 17.352 10.010 2.145 1196 H SER 157 HN SER 157 19.408 7.598 2.013 1197 HA SER 157 HA SER 157 18.682 6.669 -0.691 1198 HB2 SER 157 2HB SER 157 20.338 8.672 -0.614 1199 HB3 SER 157 1HB SER 157 21.503 7.479 -0.046 1200 HG SER 157 HG SER 157 20.822 7.956 -2.514 1201 H ASP 158 HN ASP 158 20.847 5.168 -1.289 1202 HA ASP 158 HA ASP 158 20.638 3.009 0.675 1203 HB2 ASP 158 2HB ASP 158 21.626 1.609 -1.062 1204 HB3 ASP 158 1HB ASP 158 20.272 2.523 -1.726 Start of MODEL 5 1 H1 HIS 1 1HT HIS 1 -14.391 -22.168 -4.860 2 H2 HIS 1 2HT HIS 1 -14.198 -23.740 -5.475 3 H3 HIS 1 3HT HIS 1 -15.517 -22.789 -5.966 4 HA HIS 1 HA HIS 1 -12.767 -22.771 -6.883 5 HB2 HIS 1 2HB HIS 1 -13.986 -21.854 -8.918 6 HB3 HIS 1 1HB HIS 1 -14.498 -23.459 -8.397 7 HD1 HIS 1 1HD HIS 1 -15.622 -20.626 -6.294 8 HD2 HIS 1 2HD HIS 1 -17.125 -22.830 -9.497 9 HE1 HIS 1 1HE HIS 1 -18.095 -20.096 -6.430 10 H HIS 2 HN HIS 2 -13.255 -21.072 -4.614 11 HA HIS 2 HA HIS 2 -13.261 -18.368 -5.776 12 HB2 HIS 2 2HB HIS 2 -13.076 -18.024 -3.064 13 HB3 HIS 2 1HB HIS 2 -14.590 -18.063 -3.971 14 HD1 HIS 2 1HD HIS 2 -12.280 -20.389 -2.046 15 HD2 HIS 2 2HD HIS 2 -16.229 -20.235 -3.371 16 HE1 HIS 2 1HE HIS 2 -13.454 -22.392 -1.032 17 H LEU 3 HN LEU 3 -11.377 -17.434 -6.198 18 HA LEU 3 HA LEU 3 -8.973 -18.341 -4.732 19 HB2 LEU 3 2HB LEU 3 -9.443 -18.197 -7.476 20 HB3 LEU 3 1HB LEU 3 -8.454 -16.780 -7.126 21 HG LEU 3 HG LEU 3 -6.901 -18.307 -5.832 22 HD11 LEU 3 1HD1 LEU 3 -7.688 -20.697 -7.272 23 HD12 LEU 3 2HD1 LEU 3 -9.004 -20.135 -6.241 24 HD13 LEU 3 3HD1 LEU 3 -7.421 -20.480 -5.543 25 HD21 LEU 3 1HD2 LEU 3 -6.102 -19.461 -8.059 26 HD22 LEU 3 2HD2 LEU 3 -6.060 -17.704 -7.928 27 HD23 LEU 3 3HD2 LEU 3 -7.379 -18.492 -8.794 28 H LEU 4 HN LEU 4 -8.581 -16.966 -3.105 29 HA LEU 4 HA LEU 4 -7.845 -14.275 -3.634 30 HB2 LEU 4 2HB LEU 4 -10.625 -14.698 -3.152 31 HB3 LEU 4 1HB LEU 4 -9.959 -13.881 -1.742 32 HG LEU 4 HG LEU 4 -9.494 -12.962 -4.593 33 HD11 LEU 4 1HD1 LEU 4 -11.175 -11.270 -4.190 34 HD12 LEU 4 2HD1 LEU 4 -11.393 -11.819 -2.528 35 HD13 LEU 4 3HD1 LEU 4 -11.898 -12.846 -3.869 36 HD21 LEU 4 1HD2 LEU 4 -8.198 -11.321 -3.693 37 HD22 LEU 4 2HD2 LEU 4 -8.093 -12.375 -2.285 38 HD23 LEU 4 3HD2 LEU 4 -9.290 -11.082 -2.331 39 H ALA 5 HN ALA 5 -6.001 -15.092 -2.573 40 HA ALA 5 HA ALA 5 -4.632 -15.573 -0.789 41 HB1 ALA 5 1HB ALA 5 -6.359 -13.357 -0.054 42 HB2 ALA 5 2HB ALA 5 -4.638 -13.591 0.255 43 HB3 ALA 5 3HB ALA 5 -5.831 -14.276 1.357 44 H SER 6 HN SER 6 -4.721 -17.668 -0.237 45 HA SER 6 HA SER 6 -6.810 -19.192 0.659 46 HB2 SER 6 2HB SER 6 -3.931 -19.350 0.699 47 HB3 SER 6 1HB SER 6 -4.601 -20.035 2.176 48 HG SER 6 HG SER 6 -5.441 -21.612 1.053 49 H ASP 7 HN ASP 7 -8.096 -19.152 2.401 50 HA ASP 7 HA ASP 7 -7.800 -17.233 4.466 51 HB2 ASP 7 2HB ASP 7 -10.007 -17.880 4.138 52 HB3 ASP 7 1HB ASP 7 -9.595 -19.588 4.000 53 H GLU 8 HN GLU 8 -7.797 -20.778 4.761 54 HA GLU 8 HA GLU 8 -7.118 -21.499 7.126 55 HB2 GLU 8 2HB GLU 8 -5.304 -22.208 4.814 56 HB3 GLU 8 1HB GLU 8 -5.474 -23.122 6.313 57 HG2 GLU 8 2HG GLU 8 -8.072 -22.593 5.143 58 HG3 GLU 8 1HG GLU 8 -7.022 -23.406 3.985 59 H GLU 9 HN GLU 9 -4.619 -19.859 5.160 60 HA GLU 9 HA GLU 9 -3.547 -18.395 7.288 61 HB2 GLU 9 2HB GLU 9 -2.775 -21.145 7.359 62 HB3 GLU 9 1HB GLU 9 -1.357 -20.196 6.931 63 HG2 GLU 9 2HG GLU 9 -1.763 -18.705 8.846 64 HG3 GLU 9 1HG GLU 9 -3.187 -19.648 9.278 65 H ILE 10 HN ILE 10 -4.158 -18.165 4.467 66 HA ILE 10 HA ILE 10 -3.207 -17.571 2.418 67 HB ILE 10 HB ILE 10 -1.469 -15.775 4.075 68 HG12 ILE 10 2HG1 ILE 10 -4.495 -15.652 3.854 69 HG13 ILE 10 1HG1 ILE 10 -3.565 -15.890 5.333 70 HG21 ILE 10 1HG2 ILE 10 -3.344 -14.971 1.875 71 HG22 ILE 10 2HG2 ILE 10 -1.851 -15.813 1.462 72 HG23 ILE 10 3HG2 ILE 10 -1.786 -14.275 2.323 73 HD11 ILE 10 1HD1 ILE 10 -2.419 -13.650 4.747 74 HD12 ILE 10 2HD1 ILE 10 -4.076 -13.581 5.348 75 HD13 ILE 10 3HD1 ILE 10 -3.757 -13.412 3.620 76 H GLN 11 HN GLN 11 -1.859 -19.872 3.499 77 HA GLN 11 HA GLN 11 0.065 -21.097 3.218 78 HB2 GLN 11 2HB GLN 11 0.218 -19.064 1.015 79 HB3 GLN 11 1HB GLN 11 1.569 -20.163 1.289 80 HG2 GLN 11 2HG GLN 11 -1.282 -21.131 1.007 81 HG3 GLN 11 1HG GLN 11 -0.194 -20.966 -0.371 82 HE21 GLN 11 1HE2 GLN 11 2.228 -21.898 0.626 83 HE22 GLN 11 2HE2 GLN 11 2.072 -23.512 1.125 84 H ASP 12 HN ASP 12 1.525 -18.007 2.323 85 HA ASP 12 HA ASP 12 3.142 -18.104 4.803 86 HB2 ASP 12 2HB ASP 12 4.005 -17.267 2.024 87 HB3 ASP 12 1HB ASP 12 4.992 -17.120 3.477 88 H VAL 13 HN VAL 13 3.571 -16.147 5.815 89 HA VAL 13 HA VAL 13 3.132 -13.593 4.784 90 HB VAL 13 HB VAL 13 0.674 -14.946 5.350 91 HG11 VAL 13 1HG1 VAL 13 -0.387 -13.344 6.876 92 HG12 VAL 13 2HG1 VAL 13 1.153 -12.533 7.132 93 HG13 VAL 13 3HG1 VAL 13 0.920 -14.193 7.692 94 HG21 VAL 13 1HG2 VAL 13 -0.257 -12.766 4.541 95 HG22 VAL 13 2HG2 VAL 13 1.007 -13.411 3.498 96 HG23 VAL 13 3HG2 VAL 13 1.369 -12.092 4.606 97 H SER 14 HN SER 14 2.809 -15.625 7.660 98 HA SER 14 HA SER 14 3.331 -13.628 9.579 99 HB2 SER 14 2HB SER 14 2.529 -15.533 10.579 100 HB3 SER 14 1HB SER 14 3.435 -16.604 9.515 101 HG SER 14 HG SER 14 5.344 -15.705 10.652 102 H GLY 15 HN GLY 15 5.061 -12.315 9.144 103 HA2 GLY 15 2HA GLY 15 7.525 -12.675 10.076 104 HA3 GLY 15 1HA GLY 15 7.663 -13.492 8.522 105 H THR 16 HN THR 16 9.305 -11.849 8.096 106 HA THR 16 HA THR 16 8.343 -9.134 7.630 107 HB THR 16 HB THR 16 11.106 -10.014 6.921 108 HG1 THR 16 1HG THR 16 11.167 -9.253 9.401 109 HG21 THR 16 1HG2 THR 16 11.634 -7.763 7.690 110 HG22 THR 16 2HG2 THR 16 9.986 -7.552 8.289 111 HG23 THR 16 3HG2 THR 16 10.285 -7.686 6.555 112 H TRP 17 HN TRP 17 8.399 -8.098 5.640 113 HA TRP 17 HA TRP 17 8.773 -9.789 3.265 114 HB2 TRP 17 2HB TRP 17 6.349 -8.158 4.006 115 HB3 TRP 17 1HB TRP 17 6.717 -8.550 2.328 116 HD1 TRP 17 1HD TRP 17 6.277 -10.417 5.700 117 HE1 TRP 17 1HE TRP 17 5.218 -12.715 5.204 118 HE3 TRP 17 3HE TRP 17 6.059 -10.206 0.612 119 HZ2 TRP 17 2HZ TRP 17 4.383 -14.258 2.938 120 HZ3 TRP 17 3HZ TRP 17 5.122 -12.092 -0.694 121 HH2 TRP 17 2HH TRP 17 4.284 -14.118 0.463 122 H TYR 18 HN TYR 18 8.696 -8.340 1.241 123 HA TYR 18 HA TYR 18 10.031 -5.769 1.831 124 HB2 TYR 18 2HB TYR 18 10.810 -8.008 0.061 125 HB3 TYR 18 1HB TYR 18 10.908 -6.409 -0.673 126 HD1 TYR 18 1HD TYR 18 12.724 -8.764 1.162 127 HD2 TYR 18 2HD TYR 18 11.917 -4.545 1.018 128 HE1 TYR 18 1HE TYR 18 14.836 -8.317 2.382 129 HE2 TYR 18 2HE TYR 18 14.030 -4.101 2.239 130 HH TYR 18 HH TYR 18 15.757 -6.484 3.852 131 H LEU 19 HN LEU 19 9.586 -4.084 0.242 132 HA LEU 19 HA LEU 19 7.040 -4.525 -1.188 133 HB2 LEU 19 2HB LEU 19 7.051 -2.827 0.681 134 HB3 LEU 19 1HB LEU 19 8.259 -1.916 -0.220 135 HG LEU 19 HG LEU 19 5.895 -2.656 -1.815 136 HD11 LEU 19 1HD1 LEU 19 4.676 -2.307 0.216 137 HD12 LEU 19 2HD1 LEU 19 4.537 -0.810 -0.699 138 HD13 LEU 19 3HD1 LEU 19 5.666 -0.915 0.649 139 HD21 LEU 19 1HD2 LEU 19 7.844 -1.013 -2.316 140 HD22 LEU 19 2HD2 LEU 19 7.000 0.094 -1.233 141 HD23 LEU 19 3HD2 LEU 19 6.209 -0.484 -2.698 142 H LYS 20 HN LYS 20 7.321 -4.668 -3.335 143 HA LYS 20 HA LYS 20 9.802 -3.545 -4.465 144 HB2 LYS 20 2HB LYS 20 8.018 -5.542 -5.818 145 HB3 LYS 20 1HB LYS 20 9.717 -5.188 -6.120 146 HG2 LYS 20 2HG LYS 20 9.728 -5.877 -3.437 147 HG3 LYS 20 1HG LYS 20 8.514 -6.967 -4.103 148 HD2 LYS 20 2HD LYS 20 11.327 -6.603 -5.186 149 HD3 LYS 20 1HD LYS 20 10.777 -7.958 -4.201 150 HE2 LYS 20 2HE LYS 20 10.487 -8.873 -6.292 151 HE3 LYS 20 1HE LYS 20 8.910 -8.113 -6.098 152 HZ1 LYS 20 1HZ LYS 20 10.345 -7.711 -8.224 153 HZ2 LYS 20 2HZ LYS 20 11.107 -6.549 -7.248 154 HZ3 LYS 20 3HZ LYS 20 9.437 -6.449 -7.546 155 H ALA 21 HN ALA 21 6.543 -2.816 -4.304 156 HA ALA 21 HA ALA 21 6.833 -0.744 -6.275 157 HB1 ALA 21 1HB ALA 21 5.623 -1.536 -8.036 158 HB2 ALA 21 2HB ALA 21 4.587 -2.532 -7.016 159 HB3 ALA 21 3HB ALA 21 6.207 -3.088 -7.439 160 H MET 22 HN MET 22 5.423 0.914 -5.872 161 HA MET 22 HA MET 22 2.959 0.375 -4.426 162 HB2 MET 22 2HB MET 22 4.164 0.597 -2.478 163 HB3 MET 22 1HB MET 22 5.339 1.695 -3.193 164 HG2 MET 22 2HG MET 22 3.879 3.543 -3.028 165 HG3 MET 22 1HG MET 22 2.456 2.522 -2.839 166 HE1 MET 22 1HE MET 22 3.553 5.071 -1.253 167 HE2 MET 22 2HE MET 22 3.181 4.722 0.433 168 HE3 MET 22 3HE MET 22 1.976 4.402 -0.812 169 H THR 23 HN THR 23 1.597 1.370 -5.747 170 HA THR 23 HA THR 23 2.192 3.704 -7.261 171 HB THR 23 HB THR 23 -0.140 3.739 -7.850 172 HG1 THR 23 1HG THR 23 -1.209 1.881 -6.341 173 HG21 THR 23 1HG2 THR 23 -0.219 0.877 -7.547 174 HG22 THR 23 2HG2 THR 23 1.412 1.391 -7.972 175 HG23 THR 23 3HG2 THR 23 0.055 1.830 -9.006 176 H VAL 24 HN VAL 24 2.183 5.815 -6.666 177 HA VAL 24 HA VAL 24 0.965 6.502 -4.056 178 HB VAL 24 HB VAL 24 3.041 8.289 -5.173 179 HG11 VAL 24 1HG1 VAL 24 2.776 7.029 -2.436 180 HG12 VAL 24 2HG1 VAL 24 1.846 8.447 -2.919 181 HG13 VAL 24 3HG1 VAL 24 3.607 8.524 -2.865 182 HG21 VAL 24 1HG2 VAL 24 4.789 6.687 -4.122 183 HG22 VAL 24 2HG2 VAL 24 4.197 6.304 -5.739 184 HG23 VAL 24 3HG2 VAL 24 3.566 5.437 -4.340 185 H ASP 25 HN ASP 25 -1.007 7.259 -4.663 186 HA ASP 25 HA ASP 25 -1.846 8.538 -6.900 187 HB2 ASP 25 2HB ASP 25 -2.734 8.393 -4.164 188 HB3 ASP 25 1HB ASP 25 -3.025 10.012 -4.801 189 H ARG 26 HN ARG 26 -1.822 10.586 -7.760 190 HA ARG 26 HA ARG 26 0.265 12.366 -6.710 191 HB2 ARG 26 2HB ARG 26 -1.153 12.261 -9.380 192 HB3 ARG 26 1HB ARG 26 0.028 13.493 -8.937 193 HG2 ARG 26 2HG ARG 26 1.767 11.851 -8.678 194 HG3 ARG 26 1HG ARG 26 0.613 10.525 -8.829 195 HD2 ARG 26 2HD ARG 26 1.832 10.857 -10.942 196 HD3 ARG 26 1HD ARG 26 0.119 11.216 -11.146 197 HE ARG 26 HE ARG 26 1.681 13.547 -10.482 198 HH11 ARG 26 1HH1 ARG 26 1.902 15.094 -12.132 199 HH12 ARG 26 2HH1 ARG 26 1.523 14.669 -13.767 200 HH21 ARG 26 1HH2 ARG 26 0.643 11.405 -12.994 201 HH22 ARG 26 2HH2 ARG 26 0.811 12.579 -14.255 202 H GLU 27 HN GLU 27 -2.660 12.035 -5.777 203 HA GLU 27 HA GLU 27 -3.663 14.743 -6.267 204 HB2 GLU 27 2HB GLU 27 -4.829 12.202 -5.212 205 HB3 GLU 27 1HB GLU 27 -5.553 13.732 -4.713 206 HG2 GLU 27 2HG GLU 27 -6.209 14.287 -6.872 207 HG3 GLU 27 1HG GLU 27 -4.956 13.296 -7.617 208 H PHE 28 HN PHE 28 -2.763 12.616 -3.552 209 HA PHE 28 HA PHE 28 -3.258 14.136 -1.370 210 HB2 PHE 28 2HB PHE 28 -1.055 12.284 -2.096 211 HB3 PHE 28 1HB PHE 28 -0.781 13.309 -0.690 212 HD1 PHE 28 1HD PHE 28 -3.153 10.839 -2.175 213 HD2 PHE 28 2HD PHE 28 -1.869 12.878 1.381 214 HE1 PHE 28 1HE PHE 28 -4.576 9.351 -0.804 215 HE2 PHE 28 2HE PHE 28 -3.300 11.391 2.750 216 HZ PHE 28 HZ PHE 28 -4.655 9.626 1.657 217 HA PRO 29 HA PRO 29 -1.438 18.170 -1.548 218 HB2 PRO 29 2HB PRO 29 0.090 17.276 0.891 219 HB3 PRO 29 1HB PRO 29 -0.742 18.810 0.585 220 HG2 PRO 29 2HG PRO 29 -1.838 16.861 2.051 221 HG3 PRO 29 1HG PRO 29 -2.803 17.931 1.023 222 HD2 PRO 29 2HD PRO 29 -2.221 15.063 0.673 223 HD3 PRO 29 1HD PRO 29 -3.490 16.053 -0.077 224 H GLU 30 HN GLU 30 1.399 16.734 -0.006 225 HA GLU 30 HA GLU 30 2.792 16.586 -2.580 226 HB2 GLU 30 2HB GLU 30 3.843 18.200 -0.245 227 HB3 GLU 30 1HB GLU 30 4.619 17.987 -1.815 228 HG2 GLU 30 2HG GLU 30 2.603 19.041 -2.881 229 HG3 GLU 30 1HG GLU 30 1.988 19.387 -1.266 230 H MET 31 HN MET 31 1.880 14.722 -0.398 231 HA MET 31 HA MET 31 4.267 13.794 0.911 232 HB2 MET 31 2HB MET 31 1.505 12.610 0.582 233 HB3 MET 31 1HB MET 31 2.796 11.819 1.487 234 HG2 MET 31 2HG MET 31 2.687 13.318 3.214 235 HG3 MET 31 1HG MET 31 2.316 14.671 2.149 236 HE1 MET 31 1HE MET 31 -0.386 11.224 3.111 237 HE2 MET 31 2HE MET 31 0.290 11.903 4.589 238 HE3 MET 31 3HE MET 31 1.368 11.382 3.294 239 H ASN 32 HN ASN 32 5.842 13.176 -0.484 240 HA ASN 32 HA ASN 32 5.152 11.132 -2.511 241 HB2 ASN 32 2HB ASN 32 6.782 13.537 -2.625 242 HB3 ASN 32 1HB ASN 32 7.689 12.107 -3.117 243 HD21 ASN 32 1HD2 ASN 32 5.873 10.552 -4.455 244 HD22 ASN 32 2HD2 ASN 32 5.194 11.393 -5.762 245 H LEU 33 HN LEU 33 5.706 9.156 -1.878 246 HA LEU 33 HA LEU 33 7.368 8.524 0.275 247 HB2 LEU 33 2HB LEU 33 5.665 7.108 -1.258 248 HB3 LEU 33 1HB LEU 33 7.193 6.566 -1.951 249 HG LEU 33 HG LEU 33 6.489 6.504 1.000 250 HD11 LEU 33 1HD1 LEU 33 5.507 4.532 0.566 251 HD12 LEU 33 2HD1 LEU 33 7.032 3.933 -0.085 252 HD13 LEU 33 3HD1 LEU 33 5.865 4.713 -1.152 253 HD21 LEU 33 1HD2 LEU 33 8.793 6.601 1.065 254 HD22 LEU 33 2HD2 LEU 33 8.971 5.958 -0.567 255 HD23 LEU 33 3HD2 LEU 33 8.597 4.874 0.766 256 H GLU 34 HN GLU 34 9.462 8.890 0.468 257 HA GLU 34 HA GLU 34 11.158 9.013 -1.918 258 HB2 GLU 34 2HB GLU 34 11.528 9.838 0.953 259 HB3 GLU 34 1HB GLU 34 12.887 9.760 -0.167 260 HG2 GLU 34 2HG GLU 34 10.488 11.158 -1.187 261 HG3 GLU 34 1HG GLU 34 11.316 11.962 0.144 262 H SER 35 HN SER 35 10.723 7.119 1.020 263 HA SER 35 HA SER 35 12.241 4.919 -0.106 264 HB2 SER 35 2HB SER 35 14.157 5.151 1.041 265 HB3 SER 35 1HB SER 35 13.611 6.758 1.512 266 HG SER 35 HG SER 35 13.302 6.018 3.446 267 H VAL 36 HN VAL 36 11.939 2.913 1.048 268 HA VAL 36 HA VAL 36 9.838 3.059 3.105 269 HB VAL 36 HB VAL 36 8.829 2.555 0.941 270 HG11 VAL 36 1HG1 VAL 36 10.630 0.118 0.905 271 HG12 VAL 36 2HG1 VAL 36 10.938 1.574 -0.044 272 HG13 VAL 36 3HG1 VAL 36 9.489 0.613 -0.344 273 HG21 VAL 36 1HG2 VAL 36 8.033 1.459 3.068 274 HG22 VAL 36 2HG2 VAL 36 9.014 0.055 2.645 275 HG23 VAL 36 3HG2 VAL 36 7.670 0.536 1.610 276 H THR 37 HN THR 37 9.786 1.318 4.585 277 HA THR 37 HA THR 37 12.353 -0.120 4.763 278 HB THR 37 HB THR 37 11.940 -0.271 7.139 279 HG1 THR 37 1HG THR 37 9.560 1.168 6.856 280 HG21 THR 37 1HG2 THR 37 11.093 2.507 6.332 281 HG22 THR 37 2HG2 THR 37 12.733 1.917 6.071 282 HG23 THR 37 3HG2 THR 37 12.087 2.024 7.707 283 HA PRO 38 HA PRO 38 10.687 -4.187 3.980 284 HB2 PRO 38 2HB PRO 38 11.621 -4.761 6.777 285 HB3 PRO 38 1HB PRO 38 11.834 -5.729 5.303 286 HG2 PRO 38 2HG PRO 38 13.796 -4.210 6.292 287 HG3 PRO 38 1HG PRO 38 13.572 -4.446 4.551 288 HD2 PRO 38 2HD PRO 38 13.123 -2.017 6.166 289 HD3 PRO 38 1HD PRO 38 13.342 -2.181 4.410 290 H MET 39 HN MET 39 8.631 -5.005 4.208 291 HA MET 39 HA MET 39 6.904 -3.823 6.182 292 HB2 MET 39 2HB MET 39 6.188 -4.051 3.848 293 HB3 MET 39 1HB MET 39 6.382 -5.798 3.947 294 HG2 MET 39 2HG MET 39 4.668 -5.718 5.865 295 HG3 MET 39 1HG MET 39 4.340 -4.065 5.348 296 HE1 MET 39 1HE MET 39 4.079 -3.398 3.084 297 HE2 MET 39 2HE MET 39 2.933 -4.161 1.987 298 HE3 MET 39 3HE MET 39 4.648 -4.541 1.859 299 H THR 40 HN THR 40 6.053 -4.771 7.939 300 HA THR 40 HA THR 40 6.900 -7.544 8.470 301 HB THR 40 HB THR 40 5.975 -5.721 10.650 302 HG1 THR 40 1HG THR 40 8.673 -5.740 9.999 303 HG21 THR 40 1HG2 THR 40 6.579 -8.184 10.916 304 HG22 THR 40 2HG2 THR 40 7.426 -7.067 11.984 305 HG23 THR 40 3HG2 THR 40 8.241 -7.718 10.562 306 H LEU 41 HN LEU 41 5.309 -8.963 8.167 307 HA LEU 41 HA LEU 41 2.528 -8.116 8.740 308 HB2 LEU 41 2HB LEU 41 3.727 -9.657 6.588 309 HB3 LEU 41 1HB LEU 41 2.393 -10.515 7.357 310 HG LEU 41 HG LEU 41 1.025 -8.377 7.137 311 HD11 LEU 41 1HD1 LEU 41 3.426 -7.653 5.445 312 HD12 LEU 41 2HD1 LEU 41 2.788 -6.759 6.825 313 HD13 LEU 41 3HD1 LEU 41 1.868 -6.839 5.321 314 HD21 LEU 41 1HD2 LEU 41 0.601 -10.160 5.655 315 HD22 LEU 41 2HD2 LEU 41 2.065 -9.857 4.724 316 HD23 LEU 41 3HD2 LEU 41 0.714 -8.721 4.648 317 H THR 42 HN THR 42 1.789 -8.808 10.607 318 HA THR 42 HA THR 42 2.717 -11.409 11.654 319 HB THR 42 HB THR 42 2.832 -10.481 13.701 320 HG1 THR 42 1HG THR 42 0.592 -10.553 13.917 321 HG21 THR 42 1HG2 THR 42 2.181 -7.862 12.339 322 HG22 THR 42 2HG2 THR 42 3.748 -8.657 12.212 323 HG23 THR 42 3HG2 THR 42 3.165 -8.102 13.781 324 H THR 43 HN THR 43 1.264 -13.006 11.912 325 HA THR 43 HA THR 43 -1.500 -12.454 11.097 326 HB THR 43 HB THR 43 -0.348 -15.166 11.734 327 HG1 THR 43 1HG THR 43 0.802 -13.774 10.085 328 HG21 THR 43 1HG2 THR 43 -2.158 -15.960 10.429 329 HG22 THR 43 2HG2 THR 43 -2.451 -14.371 9.720 330 HG23 THR 43 3HG2 THR 43 -2.852 -14.672 11.414 331 H LEU 44 HN LEU 44 -3.078 -12.216 12.573 332 HA LEU 44 HA LEU 44 -2.461 -12.852 15.354 333 HB2 LEU 44 2HB LEU 44 -4.966 -11.484 14.415 334 HB3 LEU 44 1HB LEU 44 -4.125 -11.323 15.958 335 HG LEU 44 HG LEU 44 -3.124 -10.341 13.264 336 HD11 LEU 44 1HD1 LEU 44 -3.202 -8.240 15.084 337 HD12 LEU 44 2HD1 LEU 44 -4.687 -9.130 15.417 338 HD13 LEU 44 3HD1 LEU 44 -4.364 -8.531 13.792 339 HD21 LEU 44 1HD2 LEU 44 -1.854 -10.619 15.968 340 HD22 LEU 44 2HD2 LEU 44 -1.418 -9.237 14.963 341 HD23 LEU 44 3HD2 LEU 44 -1.150 -10.876 14.371 342 H GLU 45 HN GLU 45 -3.155 -14.608 16.280 343 HA GLU 45 HA GLU 45 -4.149 -16.715 16.437 344 HB2 GLU 45 2HB GLU 45 -5.709 -14.706 17.369 345 HB3 GLU 45 1HB GLU 45 -6.806 -15.445 16.203 346 HG2 GLU 45 2HG GLU 45 -6.142 -17.693 17.273 347 HG3 GLU 45 1HG GLU 45 -5.477 -16.728 18.588 348 H GLY 46 HN GLY 46 -3.664 -15.850 13.629 349 HA2 GLY 46 2HA GLY 46 -4.123 -16.636 11.515 350 HA3 GLY 46 1HA GLY 46 -4.992 -17.950 12.300 351 H GLY 47 HN GLY 47 -6.286 -15.119 13.410 352 HA2 GLY 47 2HA GLY 47 -8.592 -15.370 11.613 353 HA3 GLY 47 1HA GLY 47 -8.566 -14.528 13.161 354 H ASN 48 HN ASN 48 -6.679 -12.721 13.067 355 HA ASN 48 HA ASN 48 -7.294 -11.073 10.683 356 HB2 ASN 48 2HB ASN 48 -6.261 -9.485 12.805 357 HB3 ASN 48 1HB ASN 48 -7.877 -9.452 12.108 358 HD21 ASN 48 1HD2 ASN 48 -9.162 -11.648 12.914 359 HD22 ASN 48 2HD2 ASN 48 -9.119 -11.852 14.599 360 H LEU 49 HN LEU 49 -5.573 -9.418 10.204 361 HA LEU 49 HA LEU 49 -2.868 -10.534 10.662 362 HB2 LEU 49 2HB LEU 49 -4.281 -10.297 8.217 363 HB3 LEU 49 1HB LEU 49 -3.028 -9.059 8.201 364 HG LEU 49 HG LEU 49 -2.486 -11.960 8.903 365 HD11 LEU 49 1HD1 LEU 49 -1.328 -11.250 6.417 366 HD12 LEU 49 2HD1 LEU 49 -3.024 -10.778 6.337 367 HD13 LEU 49 3HD1 LEU 49 -2.588 -12.441 6.722 368 HD21 LEU 49 1HD2 LEU 49 -0.357 -10.280 7.784 369 HD22 LEU 49 2HD2 LEU 49 -0.337 -11.304 9.216 370 HD23 LEU 49 3HD2 LEU 49 -0.978 -9.667 9.311 371 H GLU 50 HN GLU 50 -1.269 -9.076 11.132 372 HA GLU 50 HA GLU 50 -2.053 -6.232 11.274 373 HB2 GLU 50 2HB GLU 50 -1.719 -7.348 13.502 374 HB3 GLU 50 1HB GLU 50 -0.048 -7.655 13.037 375 HG2 GLU 50 2HG GLU 50 0.374 -5.271 12.798 376 HG3 GLU 50 1HG GLU 50 -1.321 -4.907 13.111 377 H ALA 51 HN ALA 51 -0.902 -4.922 10.005 378 HA ALA 51 HA ALA 51 1.712 -5.909 9.040 379 HB1 ALA 51 1HB ALA 51 0.617 -5.907 7.066 380 HB2 ALA 51 2HB ALA 51 0.973 -4.178 7.109 381 HB3 ALA 51 3HB ALA 51 -0.610 -4.768 7.626 382 H LYS 52 HN LYS 52 3.417 -4.712 9.528 383 HA LYS 52 HA LYS 52 2.991 -1.859 10.145 384 HB2 LYS 52 2HB LYS 52 5.231 -2.933 11.602 385 HB3 LYS 52 1HB LYS 52 3.803 -2.096 12.210 386 HG2 LYS 52 2HG LYS 52 2.532 -4.195 12.198 387 HG3 LYS 52 1HG LYS 52 3.909 -5.046 11.503 388 HD2 LYS 52 2HD LYS 52 3.794 -5.414 13.937 389 HD3 LYS 52 1HD LYS 52 5.258 -4.538 13.495 390 HE2 LYS 52 2HE LYS 52 3.806 -3.699 15.518 391 HE3 LYS 52 1HE LYS 52 4.487 -2.525 14.392 392 HZ1 LYS 52 1HZ LYS 52 1.838 -3.665 13.845 393 HZ2 LYS 52 2HZ LYS 52 2.466 -2.144 13.423 394 HZ3 LYS 52 3HZ LYS 52 1.978 -2.452 15.021 395 H VAL 53 HN VAL 53 4.140 -0.558 8.871 396 HA VAL 53 HA VAL 53 6.840 -1.323 8.092 397 HB VAL 53 HB VAL 53 5.334 -2.174 6.292 398 HG11 VAL 53 1HG1 VAL 53 4.664 0.740 5.848 399 HG12 VAL 53 2HG1 VAL 53 3.579 -0.424 6.608 400 HG13 VAL 53 3HG1 VAL 53 4.070 -0.642 4.929 401 HG21 VAL 53 1HG2 VAL 53 7.031 -1.716 4.880 402 HG22 VAL 53 2HG2 VAL 53 7.635 -0.542 6.048 403 HG23 VAL 53 3HG2 VAL 53 6.530 -0.029 4.773 404 H THR 54 HN THR 54 8.115 0.469 7.543 405 HA THR 54 HA THR 54 6.927 3.052 8.310 406 HB THR 54 HB THR 54 9.842 2.297 8.303 407 HG1 THR 54 1HG THR 54 8.458 2.626 10.673 408 HG21 THR 54 1HG2 THR 54 9.637 4.656 8.226 409 HG22 THR 54 2HG2 THR 54 9.881 4.281 9.930 410 HG23 THR 54 3HG2 THR 54 8.265 4.654 9.334 411 H MET 55 HN MET 55 6.973 4.727 6.946 412 HA MET 55 HA MET 55 8.405 4.305 4.386 413 HB2 MET 55 2HB MET 55 6.307 6.182 4.033 414 HB3 MET 55 1HB MET 55 6.504 4.613 3.265 415 HG2 MET 55 2HG MET 55 5.499 3.637 5.450 416 HG3 MET 55 1HG MET 55 4.990 5.296 5.781 417 HE1 MET 55 1HE MET 55 4.690 5.978 2.363 418 HE2 MET 55 2HE MET 55 4.058 6.748 3.816 419 HE3 MET 55 3HE MET 55 2.946 6.158 2.585 420 H LEU 56 HN LEU 56 9.298 6.054 3.397 421 HA LEU 56 HA LEU 56 9.922 8.283 5.227 422 HB2 LEU 56 2HB LEU 56 11.869 7.028 4.304 423 HB3 LEU 56 1HB LEU 56 11.343 7.460 2.686 424 HG LEU 56 HG LEU 56 11.526 9.878 3.293 425 HD11 LEU 56 1HD1 LEU 56 13.192 9.969 5.457 426 HD12 LEU 56 2HD1 LEU 56 12.117 8.653 5.927 427 HD13 LEU 56 3HD1 LEU 56 11.453 10.240 5.544 428 HD21 LEU 56 1HD2 LEU 56 13.399 9.033 2.131 429 HD22 LEU 56 2HD2 LEU 56 13.913 8.042 3.495 430 HD23 LEU 56 3HD2 LEU 56 14.104 9.793 3.557 431 H ILE 57 HN ILE 57 8.105 9.495 4.921 432 HA ILE 57 HA ILE 57 7.355 10.256 2.207 433 HB ILE 57 HB ILE 57 6.061 10.700 4.901 434 HG12 ILE 57 2HG1 ILE 57 6.118 8.432 3.502 435 HG13 ILE 57 1HG1 ILE 57 4.658 8.951 4.333 436 HG21 ILE 57 1HG2 ILE 57 4.124 11.483 3.386 437 HG22 ILE 57 2HG2 ILE 57 5.361 11.709 2.146 438 HG23 ILE 57 3HG2 ILE 57 5.451 12.612 3.657 439 HD11 ILE 57 1HD1 ILE 57 4.411 8.221 1.866 440 HD12 ILE 57 2HD1 ILE 57 5.198 9.745 1.467 441 HD13 ILE 57 3HD1 ILE 57 3.660 9.745 2.331 442 H SER 58 HN SER 58 8.155 11.995 1.342 443 HA SER 58 HA SER 58 9.349 13.962 1.107 444 HB2 SER 58 2HB SER 58 7.659 15.064 3.317 445 HB3 SER 58 1HB SER 58 8.109 15.799 1.781 446 HG SER 58 HG SER 58 5.936 14.374 2.390 447 H GLY 59 HN GLY 59 10.912 12.327 2.611 448 HA2 GLY 59 2HA GLY 59 12.816 12.531 3.894 449 HA3 GLY 59 1HA GLY 59 12.404 14.219 4.161 450 H ARG 60 HN ARG 60 9.669 12.753 5.019 451 HA ARG 60 HA ARG 60 10.476 12.632 7.845 452 HB2 ARG 60 2HB ARG 60 7.687 12.781 6.674 453 HB3 ARG 60 1HB ARG 60 8.122 12.929 8.374 454 HG2 ARG 60 2HG ARG 60 9.367 14.795 6.369 455 HG3 ARG 60 1HG ARG 60 7.729 15.101 6.941 456 HD2 ARG 60 2HD ARG 60 8.545 15.043 9.278 457 HD3 ARG 60 1HD ARG 60 10.182 14.775 8.690 458 HE ARG 60 HE ARG 60 9.020 17.124 7.535 459 HH11 ARG 60 1HH1 ARG 60 9.839 19.117 8.251 460 HH12 ARG 60 2HH1 ARG 60 10.752 19.196 9.721 461 HH21 ARG 60 1HH2 ARG 60 10.497 15.798 10.369 462 HH22 ARG 60 2HH2 ARG 60 11.125 17.316 10.922 463 H CYS 61 HN CYS 61 10.504 10.779 8.927 464 HA CYS 61 HA CYS 61 9.749 8.324 7.538 465 HB2 CYS 61 2HB CYS 61 11.850 8.920 9.168 466 HB3 CYS 61 1HB CYS 61 10.738 8.173 10.314 467 H GLN 62 HN GLN 62 7.697 7.670 7.690 468 HA GLN 62 HA GLN 62 6.333 8.080 10.289 469 HB2 GLN 62 2HB GLN 62 4.189 8.038 8.971 470 HB3 GLN 62 1HB GLN 62 5.206 9.454 8.717 471 HG2 GLN 62 2HG GLN 62 5.579 8.939 6.543 472 HG3 GLN 62 1HG GLN 62 5.784 7.222 6.886 473 HE21 GLN 62 1HE2 GLN 62 3.755 5.926 7.170 474 HE22 GLN 62 2HE2 GLN 62 2.327 6.446 6.415 475 H GLU 63 HN GLU 63 5.786 6.385 11.364 476 HA GLU 63 HA GLU 63 6.134 3.724 10.304 477 HB2 GLU 63 2HB GLU 63 5.148 4.639 13.010 478 HB3 GLU 63 1HB GLU 63 5.642 3.001 12.581 479 HG2 GLU 63 2HG GLU 63 7.748 4.729 11.786 480 HG3 GLU 63 1HG GLU 63 7.286 5.204 13.420 481 H VAL 64 HN VAL 64 4.609 2.607 9.309 482 HA VAL 64 HA VAL 64 1.796 3.417 9.681 483 HB VAL 64 HB VAL 64 3.001 1.625 7.566 484 HG11 VAL 64 1HG1 VAL 64 0.835 2.078 6.425 485 HG12 VAL 64 2HG1 VAL 64 0.295 2.967 7.848 486 HG13 VAL 64 3HG1 VAL 64 0.611 1.233 7.960 487 HG21 VAL 64 1HG2 VAL 64 3.932 3.764 7.184 488 HG22 VAL 64 2HG2 VAL 64 2.449 4.585 7.674 489 HG23 VAL 64 3HG2 VAL 64 2.510 3.717 6.141 490 H LYS 65 HN LYS 65 0.294 2.009 10.475 491 HA LYS 65 HA LYS 65 1.006 -0.794 10.877 492 HB2 LYS 65 2HB LYS 65 1.683 0.212 12.973 493 HB3 LYS 65 1HB LYS 65 0.194 1.150 13.060 494 HG2 LYS 65 2HG LYS 65 -0.249 -1.742 12.765 495 HG3 LYS 65 1HG LYS 65 0.583 -1.298 14.255 496 HD2 LYS 65 2HD LYS 65 -1.178 0.137 14.945 497 HD3 LYS 65 1HD LYS 65 -1.904 0.149 13.337 498 HE2 LYS 65 2HE LYS 65 -2.380 -2.275 13.564 499 HE3 LYS 65 1HE LYS 65 -1.738 -2.231 15.205 500 HZ1 LYS 65 1HZ LYS 65 -3.893 -0.400 14.358 501 HZ2 LYS 65 2HZ LYS 65 -3.462 -0.880 15.930 502 HZ3 LYS 65 3HZ LYS 65 -4.245 -1.971 14.889 503 H ALA 66 HN ALA 66 -0.722 -2.048 10.469 504 HA ALA 66 HA ALA 66 -3.399 -0.909 10.673 505 HB1 ALA 66 1HB ALA 66 -3.991 -1.608 8.374 506 HB2 ALA 66 2HB ALA 66 -2.303 -2.034 8.088 507 HB3 ALA 66 3HB ALA 66 -2.750 -0.354 8.389 508 H VAL 67 HN VAL 67 -5.072 -2.481 10.721 509 HA VAL 67 HA VAL 67 -4.128 -5.248 11.109 510 HB VAL 67 HB VAL 67 -6.568 -4.140 12.469 511 HG11 VAL 67 1HG1 VAL 67 -4.742 -6.201 13.605 512 HG12 VAL 67 2HG1 VAL 67 -5.677 -6.663 12.183 513 HG13 VAL 67 3HG1 VAL 67 -6.504 -6.117 13.645 514 HG21 VAL 67 1HG2 VAL 67 -5.180 -3.697 14.447 515 HG22 VAL 67 2HG2 VAL 67 -4.629 -2.706 13.098 516 HG23 VAL 67 3HG2 VAL 67 -3.733 -4.157 13.553 517 H LEU 68 HN LEU 68 -4.788 -6.484 9.505 518 HA LEU 68 HA LEU 68 -7.066 -5.759 7.879 519 HB2 LEU 68 2HB LEU 68 -5.419 -8.291 7.775 520 HB3 LEU 68 1HB LEU 68 -6.372 -7.575 6.479 521 HG LEU 68 HG LEU 68 -3.894 -6.361 7.745 522 HD11 LEU 68 1HD1 LEU 68 -2.784 -6.919 5.721 523 HD12 LEU 68 2HD1 LEU 68 -4.301 -7.212 4.870 524 HD13 LEU 68 3HD1 LEU 68 -3.737 -8.360 6.084 525 HD21 LEU 68 1HD2 LEU 68 -4.315 -4.865 5.579 526 HD22 LEU 68 2HD2 LEU 68 -5.097 -4.482 7.113 527 HD23 LEU 68 3HD2 LEU 68 -5.986 -5.347 5.863 528 H GLU 69 HN GLU 69 -8.981 -6.039 9.101 529 HA GLU 69 HA GLU 69 -9.365 -8.470 10.619 530 HB2 GLU 69 2HB GLU 69 -11.297 -6.244 9.923 531 HB3 GLU 69 1HB GLU 69 -11.582 -7.527 11.100 532 HG2 GLU 69 2HG GLU 69 -9.261 -5.587 11.262 533 HG3 GLU 69 1HG GLU 69 -10.789 -5.356 12.110 534 H LYS 70 HN LYS 70 -10.117 -10.322 9.809 535 HA LYS 70 HA LYS 70 -10.741 -10.695 7.095 536 HB2 LYS 70 2HB LYS 70 -10.230 -12.351 9.200 537 HB3 LYS 70 1HB LYS 70 -11.963 -12.601 8.982 538 HG2 LYS 70 2HG LYS 70 -11.486 -12.920 6.503 539 HG3 LYS 70 1HG LYS 70 -9.773 -12.962 6.924 540 HD2 LYS 70 2HD LYS 70 -10.103 -15.188 7.221 541 HD3 LYS 70 1HD LYS 70 -10.846 -14.715 8.749 542 HE2 LYS 70 2HE LYS 70 -12.401 -16.158 7.584 543 HE3 LYS 70 1HE LYS 70 -13.043 -14.517 7.537 544 HZ1 LYS 70 1HZ LYS 70 -11.981 -14.283 5.323 545 HZ2 LYS 70 2HZ LYS 70 -13.217 -15.448 5.369 546 HZ3 LYS 70 3HZ LYS 70 -11.588 -15.932 5.372 547 H THR 71 HN THR 71 -12.624 -10.683 5.954 548 HA THR 71 HA THR 71 -15.025 -9.743 7.394 549 HB THR 71 HB THR 71 -15.762 -8.819 5.274 550 HG1 THR 71 1HG THR 71 -14.369 -10.633 4.213 551 HG21 THR 71 1HG2 THR 71 -13.111 -7.770 4.976 552 HG22 THR 71 2HG2 THR 71 -13.437 -8.021 6.690 553 HG23 THR 71 3HG2 THR 71 -14.514 -7.010 5.725 554 H ASP 72 HN ASP 72 -17.075 -10.370 6.037 555 HA ASP 72 HA ASP 72 -17.513 -13.099 6.371 556 HB2 ASP 72 2HB ASP 72 -19.100 -10.952 5.869 557 HB3 ASP 72 1HB ASP 72 -19.165 -11.781 4.314 558 H GLU 73 HN GLU 73 -15.543 -11.739 4.074 559 HA GLU 73 HA GLU 73 -15.896 -14.074 2.309 560 HB2 GLU 73 2HB GLU 73 -15.982 -11.215 1.631 561 HB3 GLU 73 1HB GLU 73 -14.901 -12.170 0.614 562 HG2 GLU 73 2HG GLU 73 -16.645 -13.613 -0.081 563 HG3 GLU 73 1HG GLU 73 -17.713 -13.085 1.219 564 HA PRO 74 HA PRO 74 -11.534 -14.541 2.978 565 HB2 PRO 74 2HB PRO 74 -10.789 -15.928 0.755 566 HB3 PRO 74 1HB PRO 74 -11.744 -16.655 2.063 567 HG2 PRO 74 2HG PRO 74 -12.642 -15.604 -0.576 568 HG3 PRO 74 1HG PRO 74 -13.161 -17.057 0.296 569 HD2 PRO 74 2HD PRO 74 -14.612 -14.729 0.279 570 HD3 PRO 74 1HD PRO 74 -14.651 -15.895 1.621 571 H GLY 75 HN GLY 75 -9.499 -13.689 2.346 572 HA2 GLY 75 2HA GLY 75 -8.017 -12.334 1.213 573 HA3 GLY 75 1HA GLY 75 -9.100 -12.380 -0.167 574 H LYS 76 HN LYS 76 -11.348 -11.429 1.508 575 HA LYS 76 HA LYS 76 -10.853 -8.593 1.182 576 HB2 LYS 76 2HB LYS 76 -12.945 -9.614 0.355 577 HB3 LYS 76 1HB LYS 76 -13.378 -10.035 2.011 578 HG2 LYS 76 2HG LYS 76 -13.432 -7.699 2.658 579 HG3 LYS 76 1HG LYS 76 -12.808 -7.207 1.084 580 HD2 LYS 76 2HD LYS 76 -14.816 -7.766 -0.020 581 HD3 LYS 76 1HD LYS 76 -15.371 -8.776 1.317 582 HE2 LYS 76 2HE LYS 76 -16.081 -6.977 2.566 583 HE3 LYS 76 1HE LYS 76 -14.848 -5.901 1.908 584 HZ1 LYS 76 1HZ LYS 76 -16.988 -5.267 1.073 585 HZ2 LYS 76 2HZ LYS 76 -17.301 -6.846 0.524 586 HZ3 LYS 76 3HZ LYS 76 -16.081 -5.914 -0.205 587 H TYR 77 HN TYR 77 -9.964 -7.485 2.766 588 HA TYR 77 HA TYR 77 -10.764 -8.103 5.549 589 HB2 TYR 77 2HB TYR 77 -8.186 -6.906 4.531 590 HB3 TYR 77 1HB TYR 77 -8.616 -7.094 6.232 591 HD1 TYR 77 1HD TYR 77 -7.933 -8.918 3.084 592 HD2 TYR 77 2HD TYR 77 -8.505 -9.232 7.318 593 HE1 TYR 77 1HE TYR 77 -7.130 -11.255 3.021 594 HE2 TYR 77 2HE TYR 77 -7.699 -11.574 7.260 595 HH TYR 77 HH TYR 77 -7.292 -13.294 4.322 596 H THR 78 HN THR 78 -10.878 -6.321 7.011 597 HA THR 78 HA THR 78 -11.343 -3.713 5.738 598 HB THR 78 HB THR 78 -13.274 -3.603 7.562 599 HG1 THR 78 1HG THR 78 -12.713 -5.816 8.184 600 HG21 THR 78 1HG2 THR 78 -13.568 -3.267 5.148 601 HG22 THR 78 2HG2 THR 78 -14.854 -4.290 5.786 602 HG23 THR 78 3HG2 THR 78 -13.518 -5.012 4.889 603 H ALA 79 HN ALA 79 -11.312 -1.922 7.315 604 HA ALA 79 HA ALA 79 -9.974 -2.568 9.850 605 HB1 ALA 79 1HB ALA 79 -8.021 -1.597 9.325 606 HB2 ALA 79 2HB ALA 79 -8.827 -0.201 8.608 607 HB3 ALA 79 3HB ALA 79 -8.552 -1.655 7.644 608 H ASP 80 HN ASP 80 -10.249 -1.070 11.463 609 HA ASP 80 HA ASP 80 -11.242 0.633 12.656 610 HB2 ASP 80 2HB ASP 80 -10.497 1.821 10.318 611 HB3 ASP 80 1HB ASP 80 -12.237 2.106 10.311 612 H GLY 81 HN GLY 81 -13.040 -0.500 9.817 613 HA2 GLY 81 2HA GLY 81 -15.168 -1.677 10.842 614 HA3 GLY 81 1HA GLY 81 -15.588 0.001 11.170 615 H GLY 82 HN GLY 82 -13.796 -1.052 8.329 616 HA2 GLY 82 2HA GLY 82 -14.808 -1.568 6.187 617 HA3 GLY 82 1HA GLY 82 -16.194 -0.591 6.654 618 H LYS 83 HN LYS 83 -13.450 0.941 7.685 619 HA LYS 83 HA LYS 83 -13.705 3.043 5.758 620 HB2 LYS 83 2HB LYS 83 -11.788 2.517 8.018 621 HB3 LYS 83 1HB LYS 83 -11.543 3.867 6.912 622 HG2 LYS 83 2HG LYS 83 -14.307 3.649 7.914 623 HG3 LYS 83 1HG LYS 83 -13.120 3.944 9.178 624 HD2 LYS 83 2HD LYS 83 -13.904 6.083 8.346 625 HD3 LYS 83 1HD LYS 83 -12.232 5.867 7.835 626 HE2 LYS 83 2HE LYS 83 -12.920 5.241 5.608 627 HE3 LYS 83 1HE LYS 83 -14.612 5.164 6.098 628 HZ1 LYS 83 1HZ LYS 83 -12.943 7.616 6.157 629 HZ2 LYS 83 2HZ LYS 83 -14.600 7.513 6.518 630 HZ3 LYS 83 3HZ LYS 83 -14.053 7.232 4.933 631 H HIS 84 HN HIS 84 -11.111 0.737 6.457 632 HA HIS 84 HA HIS 84 -10.026 1.208 3.764 633 HB2 HIS 84 2HB HIS 84 -8.732 0.262 6.319 634 HB3 HIS 84 1HB HIS 84 -7.947 0.126 4.747 635 HD1 HIS 84 1HD HIS 84 -8.807 2.796 3.497 636 HD2 HIS 84 2HD HIS 84 -7.376 2.444 7.395 637 HE1 HIS 84 1HE HIS 84 -7.920 5.083 4.147 638 H VAL 85 HN VAL 85 -10.640 -0.307 2.370 639 HA VAL 85 HA VAL 85 -11.160 -3.025 3.385 640 HB VAL 85 HB VAL 85 -11.762 -2.044 0.611 641 HG11 VAL 85 1HG1 VAL 85 -13.212 -3.901 0.511 642 HG12 VAL 85 2HG1 VAL 85 -13.248 -4.073 2.267 643 HG13 VAL 85 3HG1 VAL 85 -11.797 -4.518 1.367 644 HG21 VAL 85 1HG2 VAL 85 -13.349 -1.692 3.159 645 HG22 VAL 85 2HG2 VAL 85 -14.120 -1.684 1.573 646 HG23 VAL 85 3HG2 VAL 85 -12.914 -0.459 1.974 647 H ALA 86 HN ALA 86 -9.148 -3.908 3.480 648 HA ALA 86 HA ALA 86 -7.389 -3.677 1.203 649 HB1 ALA 86 1HB ALA 86 -5.895 -5.092 2.849 650 HB2 ALA 86 2HB ALA 86 -7.045 -4.468 4.036 651 HB3 ALA 86 3HB ALA 86 -6.095 -3.350 3.057 652 H TYR 87 HN TYR 87 -6.650 -5.247 -0.033 653 HA TYR 87 HA TYR 87 -7.794 -7.929 0.363 654 HB2 TYR 87 2HB TYR 87 -7.459 -6.453 -2.255 655 HB3 TYR 87 1HB TYR 87 -7.905 -8.147 -2.115 656 HD1 TYR 87 1HD TYR 87 -8.963 -4.700 -1.180 657 HD2 TYR 87 2HD TYR 87 -10.123 -8.802 -1.683 658 HE1 TYR 87 1HE TYR 87 -11.343 -4.056 -0.906 659 HE2 TYR 87 2HE TYR 87 -12.506 -8.159 -1.412 660 HH TYR 87 HH TYR 87 -13.467 -4.757 -1.086 661 H ILE 88 HN ILE 88 -6.340 -9.530 0.309 662 HA ILE 88 HA ILE 88 -3.570 -8.901 -0.495 663 HB ILE 88 HB ILE 88 -4.178 -11.299 1.164 664 HG12 ILE 88 2HG1 ILE 88 -4.267 -8.449 2.210 665 HG13 ILE 88 1HG1 ILE 88 -5.591 -9.615 2.238 666 HG21 ILE 88 1HG2 ILE 88 -2.046 -9.165 1.436 667 HG22 ILE 88 2HG2 ILE 88 -1.883 -10.555 0.359 668 HG23 ILE 88 3HG2 ILE 88 -2.025 -10.801 2.101 669 HD11 ILE 88 1HD1 ILE 88 -3.268 -9.382 4.028 670 HD12 ILE 88 2HD1 ILE 88 -3.571 -11.025 3.461 671 HD13 ILE 88 3HD1 ILE 88 -4.836 -10.138 4.310 672 H ILE 89 HN ILE 89 -3.027 -9.756 -2.427 673 HA ILE 89 HA ILE 89 -4.218 -12.354 -3.158 674 HB ILE 89 HB ILE 89 -3.196 -10.812 -5.400 675 HG12 ILE 89 2HG1 ILE 89 -3.930 -8.894 -3.990 676 HG13 ILE 89 1HG1 ILE 89 -4.906 -9.075 -5.440 677 HG21 ILE 89 1HG2 ILE 89 -5.529 -11.274 -6.238 678 HG22 ILE 89 2HG2 ILE 89 -5.878 -12.036 -4.692 679 HG23 ILE 89 3HG2 ILE 89 -4.635 -12.713 -5.748 680 HD11 ILE 89 1HD1 ILE 89 -6.771 -9.404 -4.239 681 HD12 ILE 89 2HD1 ILE 89 -5.843 -8.966 -2.804 682 HD13 ILE 89 3HD1 ILE 89 -5.999 -10.656 -3.269 683 H ARG 90 HN ARG 90 -2.898 -13.736 -4.437 684 HA ARG 90 HA ARG 90 -0.035 -13.448 -3.831 685 HB2 ARG 90 2HB ARG 90 -1.231 -15.542 -3.134 686 HB3 ARG 90 1HB ARG 90 -1.516 -15.888 -4.841 687 HG2 ARG 90 2HG ARG 90 1.229 -15.262 -4.627 688 HG3 ARG 90 1HG ARG 90 0.871 -16.341 -3.278 689 HD2 ARG 90 2HD ARG 90 0.296 -16.849 -6.208 690 HD3 ARG 90 1HD ARG 90 1.471 -17.691 -5.203 691 HE ARG 90 HE ARG 90 -1.262 -17.837 -4.236 692 HH11 ARG 90 1HH1 ARG 90 -2.164 -19.919 -4.228 693 HH12 ARG 90 2HH1 ARG 90 -1.382 -21.200 -5.092 694 HH21 ARG 90 1HH2 ARG 90 1.216 -19.204 -6.227 695 HH22 ARG 90 2HH2 ARG 90 0.533 -20.796 -6.225 696 H SER 91 HN SER 91 0.936 -12.320 -5.425 697 HA SER 91 HA SER 91 0.228 -11.867 -7.996 698 HB2 SER 91 2HB SER 91 2.407 -11.244 -6.597 699 HB3 SER 91 1HB SER 91 3.096 -12.545 -7.564 700 HG SER 91 HG SER 91 3.296 -10.622 -8.691 701 H HIS 92 HN HIS 92 1.167 -12.746 -10.033 702 HA HIS 92 HA HIS 92 0.560 -15.548 -10.235 703 HB2 HIS 92 2HB HIS 92 1.778 -13.705 -12.307 704 HB3 HIS 92 1HB HIS 92 1.015 -15.266 -12.609 705 HD1 HIS 92 1HD HIS 92 0.140 -11.819 -11.252 706 HD2 HIS 92 2HD HIS 92 -1.745 -15.136 -12.933 707 HE1 HIS 92 1HE HIS 92 -2.282 -11.164 -11.606 708 H VAL 93 HN VAL 93 3.232 -13.837 -9.266 709 HA VAL 93 HA VAL 93 5.120 -15.935 -10.133 710 HB VAL 93 HB VAL 93 5.702 -13.152 -9.081 711 HG11 VAL 93 1HG1 VAL 93 7.958 -13.769 -10.233 712 HG12 VAL 93 2HG1 VAL 93 7.399 -15.435 -10.080 713 HG13 VAL 93 3HG1 VAL 93 7.616 -14.443 -8.639 714 HG21 VAL 93 1HG2 VAL 93 6.288 -12.646 -11.433 715 HG22 VAL 93 2HG2 VAL 93 4.590 -13.095 -11.279 716 HG23 VAL 93 3HG2 VAL 93 5.756 -14.259 -11.907 717 H LYS 94 HN LYS 94 6.640 -16.720 -8.550 718 HA LYS 94 HA LYS 94 5.414 -17.101 -5.967 719 HB2 LYS 94 2HB LYS 94 7.266 -18.517 -7.555 720 HB3 LYS 94 1HB LYS 94 8.161 -18.028 -6.122 721 HG2 LYS 94 2HG LYS 94 5.428 -19.255 -5.779 722 HG3 LYS 94 1HG LYS 94 6.800 -20.293 -6.139 723 HD2 LYS 94 2HD LYS 94 7.236 -18.279 -4.003 724 HD3 LYS 94 1HD LYS 94 6.121 -19.587 -3.622 725 HE2 LYS 94 2HE LYS 94 7.765 -21.252 -4.012 726 HE3 LYS 94 1HE LYS 94 8.827 -20.121 -4.852 727 HZ1 LYS 94 1HZ LYS 94 9.589 -20.560 -2.598 728 HZ2 LYS 94 2HZ LYS 94 8.111 -20.001 -1.970 729 HZ3 LYS 94 3HZ LYS 94 9.152 -18.932 -2.783 730 H ASP 95 HN ASP 95 6.434 -16.646 -3.944 731 HA ASP 95 HA ASP 95 7.407 -15.203 -2.436 732 HB2 ASP 95 2HB ASP 95 9.414 -14.591 -4.613 733 HB3 ASP 95 1HB ASP 95 9.631 -14.435 -2.872 734 H HIS 96 HN HIS 96 5.405 -14.336 -4.480 735 HA HIS 96 HA HIS 96 5.849 -11.437 -4.146 736 HB2 HIS 96 2HB HIS 96 5.244 -12.901 -6.698 737 HB3 HIS 96 1HB HIS 96 4.750 -11.221 -6.480 738 HD1 HIS 96 1HD HIS 96 7.858 -13.389 -6.466 739 HD2 HIS 96 2HD HIS 96 6.833 -9.360 -6.679 740 HE1 HIS 96 1HE HIS 96 10.000 -12.133 -6.965 741 H TYR 97 HN TYR 97 4.062 -10.259 -3.672 742 HA TYR 97 HA TYR 97 1.424 -11.528 -3.809 743 HB2 TYR 97 2HB TYR 97 2.898 -10.825 -1.355 744 HB3 TYR 97 1HB TYR 97 1.213 -10.306 -1.408 745 HD1 TYR 97 1HD TYR 97 3.439 -13.236 -1.921 746 HD2 TYR 97 2HD TYR 97 -0.541 -11.862 -1.093 747 HE1 TYR 97 1HE TYR 97 2.723 -15.576 -1.468 748 HE2 TYR 97 2HE TYR 97 -1.263 -14.187 -0.644 749 HH TYR 97 HH TYR 97 -0.522 -16.494 -1.272 750 H ILE 98 HN ILE 98 -0.232 -10.163 -4.217 751 HA ILE 98 HA ILE 98 0.460 -7.352 -4.677 752 HB ILE 98 HB ILE 98 -2.107 -8.734 -5.461 753 HG12 ILE 98 2HG1 ILE 98 -0.198 -10.035 -6.383 754 HG13 ILE 98 1HG1 ILE 98 -1.155 -9.258 -7.636 755 HG21 ILE 98 1HG2 ILE 98 -1.970 -6.974 -7.308 756 HG22 ILE 98 2HG2 ILE 98 -0.661 -6.247 -6.377 757 HG23 ILE 98 3HG2 ILE 98 -2.273 -6.379 -5.673 758 HD11 ILE 98 1HD1 ILE 98 1.653 -8.966 -7.075 759 HD12 ILE 98 2HD1 ILE 98 0.872 -7.396 -6.919 760 HD13 ILE 98 3HD1 ILE 98 0.726 -8.306 -8.418 761 H PHE 99 HN PHE 99 -0.366 -5.787 -3.412 762 HA PHE 99 HA PHE 99 -2.511 -6.562 -1.538 763 HB2 PHE 99 2HB PHE 99 -0.327 -6.322 -0.398 764 HB3 PHE 99 1HB PHE 99 -0.198 -4.688 -1.030 765 HD1 PHE 99 1HD PHE 99 -1.597 -6.788 1.540 766 HD2 PHE 99 2HD PHE 99 -1.968 -2.977 -0.407 767 HE1 PHE 99 1HE PHE 99 -2.939 -5.947 3.448 768 HE2 PHE 99 2HE PHE 99 -3.312 -2.134 1.501 769 HZ PHE 99 HZ PHE 99 -3.797 -3.618 3.431 770 H TYR 100 HN TYR 100 -4.216 -5.221 -1.456 771 HA TYR 100 HA TYR 100 -4.035 -2.619 -2.875 772 HB2 TYR 100 2HB TYR 100 -5.126 -4.326 -4.310 773 HB3 TYR 100 1HB TYR 100 -6.307 -4.616 -3.038 774 HD1 TYR 100 1HD TYR 100 -4.871 -1.876 -5.105 775 HD2 TYR 100 2HD TYR 100 -8.279 -3.342 -2.966 776 HE1 TYR 100 1HE TYR 100 -6.215 0.020 -5.965 777 HE2 TYR 100 2HE TYR 100 -9.634 -1.447 -3.816 778 HH TYR 100 HH TYR 100 -9.605 0.464 -4.955 779 H SER 101 HN SER 101 -5.553 -1.020 -2.126 780 HA SER 101 HA SER 101 -7.114 -1.656 0.244 781 HB2 SER 101 2HB SER 101 -5.583 -0.937 1.712 782 HB3 SER 101 1HB SER 101 -4.506 -0.431 0.412 783 HG SER 101 HG SER 101 -5.459 1.536 0.385 784 H GLU 102 HN GLU 102 -8.820 -0.293 0.557 785 HA GLU 102 HA GLU 102 -9.030 2.035 -1.274 786 HB2 GLU 102 2HB GLU 102 -10.708 -0.351 -1.098 787 HB3 GLU 102 1HB GLU 102 -11.633 1.136 -0.878 788 HG2 GLU 102 2HG GLU 102 -9.645 0.796 -3.134 789 HG3 GLU 102 1HG GLU 102 -11.340 0.332 -3.292 790 H GLY 103 HN GLY 103 -9.215 3.794 -0.200 791 HA2 GLY 103 2HA GLY 103 -10.896 3.921 2.213 792 HA3 GLY 103 1HA GLY 103 -9.241 4.513 2.308 793 H GLU 104 HN GLU 104 -10.387 6.543 2.887 794 HA GLU 104 HA GLU 104 -10.516 8.222 0.568 795 HB2 GLU 104 2HB GLU 104 -12.792 8.925 0.709 796 HB3 GLU 104 1HB GLU 104 -12.819 7.158 0.700 797 HG2 GLU 104 2HG GLU 104 -12.728 7.335 3.262 798 HG3 GLU 104 1HG GLU 104 -13.190 9.022 3.030 799 H LEU 105 HN LEU 105 -10.418 10.405 1.025 800 HA LEU 105 HA LEU 105 -9.954 11.059 3.868 801 HB2 LEU 105 2HB LEU 105 -8.157 11.252 1.747 802 HB3 LEU 105 1HB LEU 105 -8.737 12.901 1.966 803 HG LEU 105 HG LEU 105 -8.291 12.563 4.471 804 HD11 LEU 105 1HD1 LEU 105 -6.212 10.582 3.855 805 HD12 LEU 105 2HD1 LEU 105 -7.849 9.948 3.673 806 HD13 LEU 105 3HD1 LEU 105 -7.339 10.642 5.211 807 HD21 LEU 105 1HD2 LEU 105 -5.624 12.516 3.748 808 HD22 LEU 105 2HD2 LEU 105 -6.650 13.949 3.731 809 HD23 LEU 105 3HD2 LEU 105 -6.413 13.017 2.254 810 H HIS 106 HN HIS 106 -11.886 11.877 4.448 811 HA HIS 106 HA HIS 106 -13.607 13.377 4.616 812 HB2 HIS 106 2HB HIS 106 -11.874 15.191 2.929 813 HB3 HIS 106 1HB HIS 106 -13.155 15.667 4.043 814 HD1 HIS 106 1HD HIS 106 -11.786 13.103 5.891 815 HD2 HIS 106 2HD HIS 106 -10.287 16.858 4.876 816 HE1 HIS 106 1HE HIS 106 -9.988 13.641 7.593 817 H GLY 107 HN GLY 107 -13.849 11.445 2.594 818 HA2 GLY 107 2HA GLY 107 -15.625 11.142 1.065 819 HA3 GLY 107 1HA GLY 107 -15.678 12.881 0.806 820 H LYS 108 HN LYS 108 -12.531 12.155 0.669 821 HA LYS 108 HA LYS 108 -12.545 12.072 -2.253 822 HB2 LYS 108 2HB LYS 108 -11.278 13.848 -1.151 823 HB3 LYS 108 1HB LYS 108 -10.323 12.643 -0.295 824 HG2 LYS 108 2HG LYS 108 -10.273 12.002 -3.081 825 HG3 LYS 108 1HG LYS 108 -9.886 13.711 -2.903 826 HD2 LYS 108 2HD LYS 108 -8.083 13.242 -1.394 827 HD3 LYS 108 1HD LYS 108 -8.572 11.556 -1.236 828 HE2 LYS 108 2HE LYS 108 -7.508 12.893 -3.741 829 HE3 LYS 108 1HE LYS 108 -6.667 11.696 -2.757 830 HZ1 LYS 108 1HZ LYS 108 -9.056 10.523 -3.333 831 HZ2 LYS 108 2HZ LYS 108 -7.575 10.196 -4.098 832 HZ3 LYS 108 3HZ LYS 108 -8.656 11.317 -4.777 833 HA PRO 109 HA PRO 109 -11.712 7.601 -1.276 834 HB2 PRO 109 2HB PRO 109 -11.856 6.833 -3.965 835 HB3 PRO 109 1HB PRO 109 -13.161 6.731 -2.770 836 HG2 PRO 109 2HG PRO 109 -12.690 8.725 -4.886 837 HG3 PRO 109 1HG PRO 109 -14.209 8.151 -4.182 838 HD2 PRO 109 2HD PRO 109 -13.163 10.580 -3.623 839 HD3 PRO 109 1HD PRO 109 -14.140 9.675 -2.449 840 H VAL 110 HN VAL 110 -9.795 6.595 -1.205 841 HA VAL 110 HA VAL 110 -7.779 7.278 -3.234 842 HB VAL 110 HB VAL 110 -6.078 7.794 -1.691 843 HG11 VAL 110 1HG1 VAL 110 -6.870 9.786 -0.763 844 HG12 VAL 110 2HG1 VAL 110 -8.423 9.076 -0.325 845 HG13 VAL 110 3HG1 VAL 110 -8.065 9.450 -2.011 846 HG21 VAL 110 1HG2 VAL 110 -6.690 7.725 0.839 847 HG22 VAL 110 2HG2 VAL 110 -6.260 6.215 0.039 848 HG23 VAL 110 3HG2 VAL 110 -7.956 6.601 0.341 849 H ARG 111 HN ARG 111 -7.143 5.483 -4.126 850 HA ARG 111 HA ARG 111 -7.177 2.997 -2.574 851 HB2 ARG 111 2HB ARG 111 -6.808 2.049 -4.990 852 HB3 ARG 111 1HB ARG 111 -8.409 2.604 -4.512 853 HG2 ARG 111 2HG ARG 111 -6.599 4.667 -5.649 854 HG3 ARG 111 1HG ARG 111 -7.187 3.441 -6.772 855 HD2 ARG 111 2HD ARG 111 -9.477 3.953 -6.264 856 HD3 ARG 111 1HD ARG 111 -9.011 4.977 -4.909 857 HE ARG 111 HE ARG 111 -7.794 6.074 -7.150 858 HH11 ARG 111 1HH1 ARG 111 -8.782 7.768 -8.299 859 HH12 ARG 111 2HH1 ARG 111 -10.497 7.990 -8.199 860 HH21 ARG 111 1HH2 ARG 111 -10.986 5.310 -6.056 861 HH22 ARG 111 2HH2 ARG 111 -11.745 6.599 -6.929 862 H GLY 112 HN GLY 112 -5.361 1.482 -3.943 863 HA2 GLY 112 2HA GLY 112 -2.943 2.529 -4.696 864 HA3 GLY 112 1HA GLY 112 -2.877 2.510 -2.942 865 H VAL 113 HN VAL 113 -1.710 0.913 -5.344 866 HA VAL 113 HA VAL 113 -2.240 -1.771 -4.255 867 HB VAL 113 HB VAL 113 -0.769 -1.371 -6.823 868 HG11 VAL 113 1HG1 VAL 113 -1.611 -3.505 -7.316 869 HG12 VAL 113 2HG1 VAL 113 -2.972 -3.315 -6.202 870 HG13 VAL 113 3HG1 VAL 113 -1.345 -3.568 -5.568 871 HG21 VAL 113 1HG2 VAL 113 -3.348 -1.622 -7.700 872 HG22 VAL 113 2HG2 VAL 113 -2.454 -0.104 -7.670 873 HG23 VAL 113 3HG2 VAL 113 -3.556 -0.505 -6.360 874 H LYS 114 HN LYS 114 -0.513 -3.001 -3.570 875 HA LYS 114 HA LYS 114 2.155 -1.796 -3.810 876 HB2 LYS 114 2HB LYS 114 1.439 -3.133 -1.234 877 HB3 LYS 114 1HB LYS 114 2.687 -1.949 -1.559 878 HG2 LYS 114 2HG LYS 114 -0.212 -1.152 -1.824 879 HG3 LYS 114 1HG LYS 114 0.540 -1.225 -0.240 880 HD2 LYS 114 2HD LYS 114 2.340 0.289 -1.053 881 HD3 LYS 114 1HD LYS 114 1.491 0.418 -2.595 882 HE2 LYS 114 2HE LYS 114 0.528 2.230 -1.567 883 HE3 LYS 114 1HE LYS 114 -0.543 0.994 -0.914 884 HZ1 LYS 114 1HZ LYS 114 0.300 1.234 1.122 885 HZ2 LYS 114 2HZ LYS 114 0.925 2.711 0.561 886 HZ3 LYS 114 3HZ LYS 114 1.900 1.319 0.570 887 H LEU 115 HN LEU 115 3.665 -3.215 -4.479 888 HA LEU 115 HA LEU 115 2.931 -6.040 -4.662 889 HB2 LEU 115 2HB LEU 115 3.813 -5.027 -6.709 890 HB3 LEU 115 1HB LEU 115 5.221 -4.441 -5.840 891 HG LEU 115 HG LEU 115 6.027 -6.685 -5.486 892 HD11 LEU 115 1HD1 LEU 115 4.166 -8.040 -5.073 893 HD12 LEU 115 2HD1 LEU 115 4.638 -8.556 -6.691 894 HD13 LEU 115 3HD1 LEU 115 3.295 -7.435 -6.483 895 HD21 LEU 115 1HD2 LEU 115 6.213 -7.467 -7.884 896 HD22 LEU 115 2HD2 LEU 115 6.598 -5.762 -7.656 897 HD23 LEU 115 3HD2 LEU 115 5.033 -6.229 -8.315 898 H VAL 116 HN VAL 116 3.803 -7.510 -3.312 899 HA VAL 116 HA VAL 116 6.221 -6.733 -1.861 900 HB VAL 116 HB VAL 116 5.313 -7.190 0.250 901 HG11 VAL 116 1HG1 VAL 116 3.022 -6.016 -1.345 902 HG12 VAL 116 2HG1 VAL 116 4.445 -5.097 -0.838 903 HG13 VAL 116 3HG1 VAL 116 3.347 -5.771 0.368 904 HG21 VAL 116 1HG2 VAL 116 4.149 -9.259 -0.144 905 HG22 VAL 116 2HG2 VAL 116 3.042 -8.493 -1.270 906 HG23 VAL 116 3HG2 VAL 116 2.956 -8.115 0.451 907 H GLY 117 HN GLY 117 7.678 -8.320 -1.488 908 HA2 GLY 117 2HA GLY 117 6.848 -11.092 -2.067 909 HA3 GLY 117 1HA GLY 117 8.223 -10.397 -2.914 910 H ARG 118 HN ARG 118 10.198 -10.393 -1.939 911 HA ARG 118 HA ARG 118 10.990 -10.268 0.637 912 HB2 ARG 118 2HB ARG 118 9.788 -11.991 1.575 913 HB3 ARG 118 1HB ARG 118 9.763 -12.941 0.095 914 HG2 ARG 118 2HG ARG 118 12.322 -12.499 1.649 915 HG3 ARG 118 1HG ARG 118 11.202 -13.774 2.091 916 HD2 ARG 118 2HD ARG 118 11.633 -13.905 -0.750 917 HD3 ARG 118 1HD ARG 118 13.192 -13.839 0.059 918 HE ARG 118 HE ARG 118 11.461 -16.067 0.014 919 HH11 ARG 118 1HH1 ARG 118 11.894 -17.805 1.414 920 HH12 ARG 118 2HH1 ARG 118 12.893 -17.558 2.807 921 HH21 ARG 118 1HH2 ARG 118 13.423 -14.194 2.162 922 HH22 ARG 118 2HH2 ARG 118 13.758 -15.515 3.230 923 H ASP 119 HN ASP 119 11.312 -11.668 -2.476 924 HA ASP 119 HA ASP 119 13.909 -12.761 -2.258 925 HB2 ASP 119 2HB ASP 119 11.993 -12.283 -4.332 926 HB3 ASP 119 1HB ASP 119 13.575 -11.721 -4.874 927 HA PRO 120 HA PRO 120 16.363 -9.064 -2.074 928 HB2 PRO 120 2HB PRO 120 18.692 -9.915 -3.222 929 HB3 PRO 120 1HB PRO 120 18.187 -10.398 -1.591 930 HG2 PRO 120 2HG PRO 120 18.001 -11.901 -4.153 931 HG3 PRO 120 1HG PRO 120 18.414 -12.480 -2.531 932 HD2 PRO 120 2HD PRO 120 15.935 -12.823 -3.648 933 HD3 PRO 120 1HD PRO 120 16.205 -12.696 -1.897 934 H LYS 121 HN LYS 121 15.877 -10.741 -5.083 935 HA LYS 121 HA LYS 121 16.534 -8.311 -6.624 936 HB2 LYS 121 2HB LYS 121 17.711 -10.396 -7.280 937 HB3 LYS 121 1HB LYS 121 16.151 -11.156 -7.590 938 HG2 LYS 121 2HG LYS 121 15.710 -9.797 -9.444 939 HG3 LYS 121 1HG LYS 121 16.839 -8.546 -8.922 940 HD2 LYS 121 2HD LYS 121 17.765 -9.820 -10.818 941 HD3 LYS 121 1HD LYS 121 18.731 -10.066 -9.363 942 HE2 LYS 121 2HE LYS 121 17.869 -12.233 -9.008 943 HE3 LYS 121 1HE LYS 121 16.484 -11.950 -10.063 944 HZ1 LYS 121 1HZ LYS 121 17.649 -12.785 -11.728 945 HZ2 LYS 121 2HZ LYS 121 19.003 -12.999 -10.725 946 HZ3 LYS 121 3HZ LYS 121 18.790 -11.540 -11.569 947 H ASN 122 HN ASN 122 15.079 -7.939 -8.541 948 HA ASN 122 HA ASN 122 12.278 -8.327 -7.703 949 HB2 ASN 122 2HB ASN 122 11.830 -6.411 -9.267 950 HB3 ASN 122 1HB ASN 122 12.847 -6.004 -7.886 951 HD21 ASN 122 1HD2 ASN 122 12.924 -4.464 -10.303 952 HD22 ASN 122 2HD2 ASN 122 14.444 -4.687 -11.024 953 H ASN 123 HN ASN 123 10.776 -9.212 -9.055 954 HA ASN 123 HA ASN 123 11.829 -10.503 -11.487 955 HB2 ASN 123 2HB ASN 123 10.438 -11.607 -9.419 956 HB3 ASN 123 1HB ASN 123 9.130 -11.224 -10.537 957 HD21 ASN 123 1HD2 ASN 123 11.368 -13.620 -9.792 958 HD22 ASN 123 2HD2 ASN 123 11.401 -14.416 -11.292 959 H LEU 124 HN LEU 124 11.619 -8.989 -13.054 960 HA LEU 124 HA LEU 124 9.764 -7.031 -13.353 961 HB2 LEU 124 2HB LEU 124 10.333 -6.878 -15.659 962 HB3 LEU 124 1HB LEU 124 11.777 -7.364 -14.798 963 HG LEU 124 HG LEU 124 11.691 -8.665 -16.796 964 HD11 LEU 124 1HD1 LEU 124 11.917 -10.814 -15.957 965 HD12 LEU 124 2HD1 LEU 124 10.593 -10.630 -14.816 966 HD13 LEU 124 3HD1 LEU 124 12.134 -9.831 -14.515 967 HD21 LEU 124 1HD2 LEU 124 8.967 -8.379 -16.727 968 HD22 LEU 124 2HD2 LEU 124 9.154 -10.072 -16.275 969 HD23 LEU 124 3HD2 LEU 124 9.831 -9.486 -17.789 970 H GLU 125 HN GLU 125 9.278 -10.407 -13.689 971 HA GLU 125 HA GLU 125 6.896 -10.258 -15.250 972 HB2 GLU 125 2HB GLU 125 8.323 -12.313 -15.017 973 HB3 GLU 125 1HB GLU 125 7.744 -12.462 -13.358 974 HG2 GLU 125 2HG GLU 125 5.422 -12.595 -14.169 975 HG3 GLU 125 1HG GLU 125 5.988 -12.429 -15.831 976 H ALA 126 HN ALA 126 7.666 -10.268 -11.821 977 HA ALA 126 HA ALA 126 4.932 -10.431 -10.967 978 HB1 ALA 126 1HB ALA 126 7.017 -11.006 -9.575 979 HB2 ALA 126 2HB ALA 126 5.748 -10.087 -8.768 980 HB3 ALA 126 3HB ALA 126 7.198 -9.267 -9.348 981 H LEU 127 HN LEU 127 7.266 -7.845 -11.602 982 HA LEU 127 HA LEU 127 5.681 -5.723 -10.636 983 HB2 LEU 127 2HB LEU 127 8.150 -6.061 -12.055 984 HB3 LEU 127 1HB LEU 127 7.199 -4.810 -12.846 985 HG LEU 127 HG LEU 127 7.719 -4.898 -9.866 986 HD11 LEU 127 1HD1 LEU 127 9.161 -3.450 -12.102 987 HD12 LEU 127 2HD1 LEU 127 9.849 -4.587 -10.944 988 HD13 LEU 127 3HD1 LEU 127 9.311 -2.998 -10.405 989 HD21 LEU 127 1HD2 LEU 127 6.308 -3.135 -9.775 990 HD22 LEU 127 2HD2 LEU 127 5.887 -3.455 -11.457 991 HD23 LEU 127 3HD2 LEU 127 7.177 -2.315 -11.071 992 H GLU 128 HN GLU 128 5.878 -7.344 -13.781 993 HA GLU 128 HA GLU 128 4.156 -5.551 -15.141 994 HB2 GLU 128 2HB GLU 128 5.704 -7.621 -15.929 995 HB3 GLU 128 1HB GLU 128 4.129 -8.413 -15.914 996 HG2 GLU 128 2HG GLU 128 4.237 -7.523 -18.082 997 HG3 GLU 128 1HG GLU 128 3.314 -6.304 -17.206 998 H ASP 129 HN ASP 129 3.643 -8.577 -13.387 999 HA ASP 129 HA ASP 129 0.862 -8.764 -13.871 1000 HB2 ASP 129 2HB ASP 129 2.556 -9.837 -11.607 1001 HB3 ASP 129 1HB ASP 129 0.864 -10.260 -11.858 1002 H PHE 130 HN PHE 130 2.753 -7.226 -11.290 1003 HA PHE 130 HA PHE 130 0.484 -6.414 -9.777 1004 HB2 PHE 130 2HB PHE 130 2.504 -6.382 -8.588 1005 HB3 PHE 130 1HB PHE 130 3.383 -5.627 -9.916 1006 HD1 PHE 130 1HD PHE 130 1.267 -5.097 -7.022 1007 HD2 PHE 130 2HD PHE 130 3.030 -3.212 -10.445 1008 HE1 PHE 130 1HE PHE 130 0.823 -2.893 -6.035 1009 HE2 PHE 130 2HE PHE 130 2.572 -0.990 -9.460 1010 HZ PHE 130 HZ PHE 130 1.470 -0.824 -7.241 1011 H GLU 131 HN GLU 131 2.581 -4.890 -12.178 1012 HA GLU 131 HA GLU 131 1.312 -2.394 -12.294 1013 HB2 GLU 131 2HB GLU 131 3.514 -2.886 -13.353 1014 HB3 GLU 131 1HB GLU 131 2.686 -3.875 -14.552 1015 HG2 GLU 131 2HG GLU 131 1.800 -2.065 -15.647 1016 HG3 GLU 131 1HG GLU 131 1.670 -1.100 -14.178 1017 H LYS 132 HN LYS 132 0.295 -5.509 -13.198 1018 HA LYS 132 HA LYS 132 -1.598 -4.600 -15.203 1019 HB2 LYS 132 2HB LYS 132 -0.440 -7.027 -14.772 1020 HB3 LYS 132 1HB LYS 132 -1.959 -7.242 -13.906 1021 HG2 LYS 132 2HG LYS 132 -2.559 -7.913 -16.058 1022 HG3 LYS 132 1HG LYS 132 -3.031 -6.215 -16.072 1023 HD2 LYS 132 2HD LYS 132 -0.953 -5.601 -17.198 1024 HD3 LYS 132 1HD LYS 132 -0.363 -7.259 -17.076 1025 HE2 LYS 132 2HE LYS 132 -1.513 -6.407 -19.302 1026 HE3 LYS 132 1HE LYS 132 -1.811 -8.041 -18.712 1027 HZ1 LYS 132 1HZ LYS 132 -3.876 -7.457 -17.886 1028 HZ2 LYS 132 2HZ LYS 132 -3.803 -6.586 -19.344 1029 HZ3 LYS 132 3HZ LYS 132 -3.526 -5.797 -17.864 1030 H ALA 133 HN ALA 133 -1.474 -5.612 -11.838 1031 HA ALA 133 HA ALA 133 -4.251 -5.420 -11.333 1032 HB1 ALA 133 1HB ALA 133 -2.850 -6.560 -9.729 1033 HB2 ALA 133 2HB ALA 133 -3.541 -5.149 -8.928 1034 HB3 ALA 133 3HB ALA 133 -1.870 -5.114 -9.490 1035 H ALA 134 HN ALA 134 -1.607 -3.044 -10.858 1036 HA ALA 134 HA ALA 134 -3.222 -0.973 -9.925 1037 HB1 ALA 134 1HB ALA 134 -1.112 -0.164 -9.762 1038 HB2 ALA 134 2HB ALA 134 -1.243 0.234 -11.474 1039 HB3 ALA 134 3HB ALA 134 -0.520 -1.293 -10.979 1040 H GLY 135 HN GLY 135 -2.217 -1.902 -13.191 1041 HA2 GLY 135 2HA GLY 135 -3.556 0.118 -14.570 1042 HA3 GLY 135 1HA GLY 135 -3.241 -1.490 -15.224 1043 H ALA 136 HN ALA 136 -4.620 -3.146 -13.739 1044 HA ALA 136 HA ALA 136 -7.262 -2.964 -14.619 1045 HB1 ALA 136 1HB ALA 136 -6.118 -5.070 -13.949 1046 HB2 ALA 136 2HB ALA 136 -7.691 -4.876 -13.175 1047 HB3 ALA 136 3HB ALA 136 -6.214 -4.549 -12.268 1048 H ARG 137 HN ARG 137 -5.711 -1.380 -12.016 1049 HA ARG 137 HA ARG 137 -8.323 -0.743 -10.795 1050 HB2 ARG 137 2HB ARG 137 -5.552 -0.892 -9.616 1051 HB3 ARG 137 1HB ARG 137 -6.902 -0.108 -8.789 1052 HG2 ARG 137 2HG ARG 137 -8.196 -2.170 -8.844 1053 HG3 ARG 137 1HG ARG 137 -6.944 -2.967 -9.797 1054 HD2 ARG 137 2HD ARG 137 -5.663 -1.891 -7.515 1055 HD3 ARG 137 1HD ARG 137 -7.126 -2.687 -6.944 1056 HE ARG 137 HE ARG 137 -4.803 -3.972 -8.078 1057 HH11 ARG 137 1HH1 ARG 137 -4.889 -6.241 -8.167 1058 HH12 ARG 137 2HH1 ARG 137 -6.405 -7.053 -7.961 1059 HH21 ARG 137 1HH2 ARG 137 -8.216 -4.127 -7.537 1060 HH22 ARG 137 2HH2 ARG 137 -8.289 -5.856 -7.604 1061 H GLY 138 HN GLY 138 -6.224 0.379 -12.962 1062 HA2 GLY 138 2HA GLY 138 -5.964 2.453 -13.938 1063 HA3 GLY 138 1HA GLY 138 -7.163 3.067 -12.809 1064 H LEU 139 HN LEU 139 -4.144 1.517 -11.898 1065 HA LEU 139 HA LEU 139 -3.167 4.109 -10.877 1066 HB2 LEU 139 2HB LEU 139 -2.852 1.373 -9.630 1067 HB3 LEU 139 1HB LEU 139 -2.135 2.861 -9.014 1068 HG LEU 139 HG LEU 139 -5.089 2.803 -9.518 1069 HD11 LEU 139 1HD1 LEU 139 -3.780 1.714 -7.010 1070 HD12 LEU 139 2HD1 LEU 139 -4.576 0.722 -8.232 1071 HD13 LEU 139 3HD1 LEU 139 -5.510 1.887 -7.297 1072 HD21 LEU 139 1HD2 LEU 139 -3.310 4.087 -7.416 1073 HD22 LEU 139 2HD2 LEU 139 -5.048 4.343 -7.575 1074 HD23 LEU 139 3HD2 LEU 139 -3.957 4.894 -8.844 1075 H SER 140 HN SER 140 -2.710 2.486 -13.400 1076 HA SER 140 HA SER 140 0.210 2.096 -13.154 1077 HB2 SER 140 2HB SER 140 0.091 0.597 -14.994 1078 HB3 SER 140 1HB SER 140 -1.248 0.170 -13.934 1079 HG SER 140 HG SER 140 -2.098 2.066 -15.560 1080 H THR 141 HN THR 141 -0.659 4.724 -13.331 1081 HA THR 141 HA THR 141 0.590 5.527 -15.820 1082 HB THR 141 HB THR 141 -1.708 7.136 -15.797 1083 HG1 THR 141 1HG THR 141 -3.365 5.737 -15.678 1084 HG21 THR 141 1HG2 THR 141 -0.972 4.760 -17.529 1085 HG22 THR 141 2HG2 THR 141 -0.426 6.419 -17.768 1086 HG23 THR 141 3HG2 THR 141 -2.133 6.016 -17.960 1087 H GLU 142 HN GLU 142 -0.062 5.943 -12.592 1088 HA GLU 142 HA GLU 142 0.478 8.838 -12.636 1089 HB2 GLU 142 2HB GLU 142 0.157 8.286 -10.004 1090 HB3 GLU 142 1HB GLU 142 -1.171 8.666 -11.093 1091 HG2 GLU 142 2HG GLU 142 -0.214 5.831 -10.789 1092 HG3 GLU 142 1HG GLU 142 -1.369 6.524 -9.649 1093 H SER 143 HN SER 143 1.453 7.023 -9.869 1094 HA SER 143 HA SER 143 4.277 7.616 -10.514 1095 HB2 SER 143 2HB SER 143 4.666 7.737 -8.126 1096 HB3 SER 143 1HB SER 143 3.312 8.782 -8.538 1097 HG SER 143 HG SER 143 2.439 6.293 -8.062 1098 H ILE 144 HN ILE 144 5.249 6.045 -8.314 1099 HA ILE 144 HA ILE 144 4.635 3.475 -7.970 1100 HB ILE 144 HB ILE 144 5.339 3.763 -10.780 1101 HG12 ILE 144 2HG1 ILE 144 3.328 2.629 -9.712 1102 HG13 ILE 144 1HG1 ILE 144 4.154 1.700 -10.961 1103 HG21 ILE 144 1HG2 ILE 144 6.659 1.647 -10.908 1104 HG22 ILE 144 2HG2 ILE 144 6.937 1.767 -9.175 1105 HG23 ILE 144 3HG2 ILE 144 7.548 3.017 -10.262 1106 HD11 ILE 144 1HD1 ILE 144 3.593 0.798 -8.410 1107 HD12 ILE 144 2HD1 ILE 144 5.276 1.273 -8.281 1108 HD13 ILE 144 3HD1 ILE 144 4.786 0.096 -9.496 1109 H LEU 145 HN LEU 145 5.899 3.022 -6.388 1110 HA LEU 145 HA LEU 145 8.754 3.825 -6.528 1111 HB2 LEU 145 2HB LEU 145 7.370 4.905 -4.718 1112 HB3 LEU 145 1HB LEU 145 7.162 3.301 -4.013 1113 HG LEU 145 HG LEU 145 9.842 3.270 -4.298 1114 HD11 LEU 145 1HD1 LEU 145 10.868 5.341 -4.165 1115 HD12 LEU 145 2HD1 LEU 145 9.434 6.124 -3.505 1116 HD13 LEU 145 3HD1 LEU 145 9.508 5.724 -5.220 1117 HD21 LEU 145 1HD2 LEU 145 8.123 4.415 -2.102 1118 HD22 LEU 145 2HD2 LEU 145 9.872 4.271 -1.913 1119 HD23 LEU 145 3HD2 LEU 145 8.892 2.829 -2.182 1120 H ILE 146 HN ILE 146 9.966 2.130 -7.059 1121 HA ILE 146 HA ILE 146 9.276 -0.501 -5.924 1122 HB ILE 146 HB ILE 146 10.967 0.133 -8.359 1123 HG12 ILE 146 2HG1 ILE 146 8.631 -1.553 -8.710 1124 HG13 ILE 146 1HG1 ILE 146 8.192 0.017 -8.041 1125 HG21 ILE 146 1HG2 ILE 146 10.235 -2.588 -8.286 1126 HG22 ILE 146 2HG2 ILE 146 10.868 -2.221 -6.682 1127 HG23 ILE 146 3HG2 ILE 146 11.853 -1.913 -8.109 1128 HD11 ILE 146 1HD1 ILE 146 9.983 -0.336 -10.458 1129 HD12 ILE 146 2HD1 ILE 146 9.301 1.173 -9.849 1130 HD13 ILE 146 3HD1 ILE 146 8.246 -0.048 -10.561 1131 HA PRO 147 HA PRO 147 13.750 0.116 -4.650 1132 HB2 PRO 147 2HB PRO 147 15.176 2.227 -5.409 1133 HB3 PRO 147 1HB PRO 147 14.705 1.007 -6.610 1134 HG2 PRO 147 2HG PRO 147 13.608 3.724 -6.152 1135 HG3 PRO 147 1HG PRO 147 13.773 2.809 -7.659 1136 HD2 PRO 147 2HD PRO 147 11.429 3.024 -6.010 1137 HD3 PRO 147 1HD PRO 147 11.645 2.037 -7.468 1138 H ARG 148 HN ARG 148 15.269 2.053 -3.550 1139 HA ARG 148 HA ARG 148 15.630 3.421 -1.809 1140 HB2 ARG 148 2HB ARG 148 12.777 4.330 -2.204 1141 HB3 ARG 148 1HB ARG 148 14.079 5.186 -1.368 1142 HG2 ARG 148 2HG ARG 148 14.708 4.340 -4.111 1143 HG3 ARG 148 1HG ARG 148 13.457 5.571 -3.982 1144 HD2 ARG 148 2HD ARG 148 14.930 7.003 -2.695 1145 HD3 ARG 148 1HD ARG 148 16.149 5.733 -2.617 1146 HE ARG 148 HE ARG 148 15.544 6.328 -5.327 1147 HH11 ARG 148 1HH1 ARG 148 17.050 7.552 -6.505 1148 HH12 ARG 148 2HH1 ARG 148 18.228 8.506 -5.667 1149 HH21 ARG 148 1HH2 ARG 148 17.110 7.590 -2.515 1150 HH22 ARG 148 2HH2 ARG 148 18.262 8.527 -3.406 1151 H GLN 149 HN GLN 149 14.709 0.803 -1.661 1152 HA GLN 149 HA GLN 149 12.910 0.477 0.551 1153 HB2 GLN 149 2HB GLN 149 14.919 -1.626 -0.084 1154 HB3 GLN 149 1HB GLN 149 13.189 -1.779 0.225 1155 HG2 GLN 149 2HG GLN 149 12.907 -0.502 -2.026 1156 HG3 GLN 149 1HG GLN 149 14.582 -0.966 -2.319 1157 HE21 GLN 149 1HE2 GLN 149 11.933 -1.925 -3.565 1158 HE22 GLN 149 2HE2 GLN 149 12.010 -3.616 -3.430 1159 H SER 150 HN SER 150 14.735 2.408 1.216 1160 HA SER 150 HA SER 150 17.059 1.625 2.549 1161 HB2 SER 150 2HB SER 150 16.441 3.981 2.123 1162 HB3 SER 150 1HB SER 150 15.150 3.850 3.313 1163 HG SER 150 HG SER 150 16.748 3.381 4.873 1164 H GLU 151 HN GLU 151 17.115 -0.028 3.952 1165 HA GLU 151 HA GLU 151 15.185 -1.176 5.445 1166 HB2 GLU 151 2HB GLU 151 18.075 -0.695 6.162 1167 HB3 GLU 151 1HB GLU 151 17.010 -1.706 7.139 1168 HG2 GLU 151 2HG GLU 151 16.666 -3.245 5.356 1169 HG3 GLU 151 1HG GLU 151 17.350 -2.138 4.168 1170 H THR 152 HN THR 152 16.464 1.983 5.945 1171 HA THR 152 HA THR 152 14.496 2.584 7.927 1172 HB THR 152 HB THR 152 16.071 1.393 9.381 1173 HG1 THR 152 1HG THR 152 16.348 4.184 9.761 1174 HG21 THR 152 1HG2 THR 152 18.053 1.953 7.839 1175 HG22 THR 152 2HG2 THR 152 18.356 1.991 9.575 1176 HG23 THR 152 3HG2 THR 152 18.121 3.497 8.689 1177 H CYS 153 HN CYS 153 14.187 4.757 8.122 1178 HA CYS 153 HA CYS 153 14.816 6.526 6.190 1179 HB2 CYS 153 2HB CYS 153 14.993 7.959 8.685 1180 HB3 CYS 153 1HB CYS 153 13.680 7.941 7.509 1181 H SER 154 HN SER 154 16.687 7.081 5.311 1182 HA SER 154 HA SER 154 18.904 7.891 7.056 1183 HB2 SER 154 2HB SER 154 20.429 6.629 5.367 1184 HB3 SER 154 1HB SER 154 19.645 5.716 6.654 1185 HG SER 154 HG SER 154 17.953 5.278 5.111 1186 HA PRO 155 HA PRO 155 17.918 10.826 3.543 1187 HB2 PRO 155 2HB PRO 155 18.905 12.681 5.653 1188 HB3 PRO 155 1HB PRO 155 17.482 12.818 4.604 1189 HG2 PRO 155 2HG PRO 155 17.276 12.192 7.193 1190 HG3 PRO 155 1HG PRO 155 16.178 11.529 5.971 1191 HD2 PRO 155 2HD PRO 155 18.424 10.188 7.407 1192 HD3 PRO 155 1HD PRO 155 16.910 9.499 6.783 1193 H GLY 156 HN GLY 156 19.408 12.047 2.278 1194 HA2 GLY 156 2HA GLY 156 21.572 13.004 1.875 1195 HA3 GLY 156 1HA GLY 156 22.240 11.914 3.084 1196 H SER 157 HN SER 157 22.744 9.790 2.527 1197 HA SER 157 HA SER 157 22.885 9.296 -0.374 1198 HB2 SER 157 2HB SER 157 24.433 8.141 1.950 1199 HB3 SER 157 1HB SER 157 24.574 7.553 0.296 1200 HG SER 157 HG SER 157 26.120 9.211 0.947 1201 H ASP 158 HN ASP 158 20.729 8.561 -0.617 1202 HA ASP 158 HA ASP 158 19.504 6.556 0.922 1203 HB2 ASP 158 2HB ASP 158 18.937 8.008 -1.471 1204 HB3 ASP 158 1HB ASP 158 18.645 6.297 -1.777 Start of MODEL 6 1 H1 HIS 1 1HT HIS 1 -8.684 -22.728 -7.264 2 H2 HIS 1 2HT HIS 1 -8.537 -24.135 -8.203 3 H3 HIS 1 3HT HIS 1 -9.982 -23.814 -7.370 4 HA HIS 1 HA HIS 1 -9.313 -23.099 -9.974 5 HB2 HIS 1 2HB HIS 1 -11.553 -23.650 -8.616 6 HB3 HIS 1 1HB HIS 1 -11.649 -21.890 -8.566 7 HD1 HIS 1 1HD HIS 1 -11.005 -24.601 -11.181 8 HD2 HIS 1 2HD HIS 1 -12.773 -20.840 -10.856 9 HE1 HIS 1 1HE HIS 1 -12.019 -24.087 -13.445 10 H HIS 2 HN HIS 2 -10.079 -21.010 -7.177 11 HA HIS 2 HA HIS 2 -8.988 -18.709 -8.656 12 HB2 HIS 2 2HB HIS 2 -10.067 -17.378 -6.814 13 HB3 HIS 2 1HB HIS 2 -11.197 -18.315 -7.791 14 HD1 HIS 2 1HD HIS 2 -10.053 -17.837 -4.342 15 HD2 HIS 2 2HD HIS 2 -12.006 -20.840 -6.475 16 HE1 HIS 2 1HE HIS 2 -11.077 -19.388 -2.621 17 H LEU 3 HN LEU 3 -7.771 -17.102 -7.290 18 HA LEU 3 HA LEU 3 -5.885 -18.542 -5.527 19 HB2 LEU 3 2HB LEU 3 -4.713 -16.110 -6.250 20 HB3 LEU 3 1HB LEU 3 -4.311 -17.702 -6.887 21 HG LEU 3 HG LEU 3 -6.543 -15.988 -8.014 22 HD11 LEU 3 1HD1 LEU 3 -4.789 -14.665 -8.668 23 HD12 LEU 3 2HD1 LEU 3 -4.631 -15.905 -9.913 24 HD13 LEU 3 3HD1 LEU 3 -3.606 -15.959 -8.478 25 HD21 LEU 3 1HD2 LEU 3 -6.935 -17.759 -9.363 26 HD22 LEU 3 2HD2 LEU 3 -5.831 -18.695 -8.356 27 HD23 LEU 3 3HD2 LEU 3 -5.228 -17.870 -9.793 28 H LEU 4 HN LEU 4 -6.474 -15.064 -5.945 29 HA LEU 4 HA LEU 4 -6.808 -13.414 -4.401 30 HB2 LEU 4 2HB LEU 4 -9.041 -14.645 -4.482 31 HB3 LEU 4 1HB LEU 4 -8.551 -15.441 -2.991 32 HG LEU 4 HG LEU 4 -8.350 -13.241 -1.874 33 HD11 LEU 4 1HD1 LEU 4 -7.838 -11.576 -3.370 34 HD12 LEU 4 2HD1 LEU 4 -9.589 -11.366 -3.333 35 HD13 LEU 4 3HD1 LEU 4 -8.839 -12.272 -4.647 36 HD21 LEU 4 1HD2 LEU 4 -10.482 -13.768 -1.366 37 HD22 LEU 4 2HD2 LEU 4 -10.804 -14.353 -2.996 38 HD23 LEU 4 3HD2 LEU 4 -10.952 -12.633 -2.633 39 H ALA 5 HN ALA 5 -7.602 -14.842 -1.552 40 HA ALA 5 HA ALA 5 -4.924 -15.530 -0.683 41 HB1 ALA 5 1HB ALA 5 -6.214 -12.916 0.010 42 HB2 ALA 5 2HB ALA 5 -4.542 -13.260 -0.439 43 HB3 ALA 5 3HB ALA 5 -5.128 -13.702 1.160 44 H SER 6 HN SER 6 -6.932 -17.209 -0.643 45 HA SER 6 HA SER 6 -8.811 -17.945 0.804 46 HB2 SER 6 2HB SER 6 -6.141 -19.094 0.799 47 HB3 SER 6 1HB SER 6 -7.055 -19.527 2.242 48 HG SER 6 HG SER 6 -7.530 -20.986 0.599 49 H ASP 7 HN ASP 7 -9.889 -17.405 2.573 50 HA ASP 7 HA ASP 7 -8.832 -15.691 4.566 51 HB2 ASP 7 2HB ASP 7 -11.393 -17.147 4.132 52 HB3 ASP 7 1HB ASP 7 -11.053 -16.541 5.752 53 H GLU 8 HN GLU 8 -10.033 -19.053 4.929 54 HA GLU 8 HA GLU 8 -9.418 -19.641 7.466 55 HB2 GLU 8 2HB GLU 8 -8.852 -21.324 5.022 56 HB3 GLU 8 1HB GLU 8 -8.737 -21.944 6.669 57 HG2 GLU 8 2HG GLU 8 -11.075 -21.401 7.085 58 HG3 GLU 8 1HG GLU 8 -11.212 -20.645 5.498 59 H GLU 9 HN GLU 9 -7.048 -19.339 4.866 60 HA GLU 9 HA GLU 9 -4.961 -18.555 6.613 61 HB2 GLU 9 2HB GLU 9 -3.569 -20.459 6.701 62 HB3 GLU 9 1HB GLU 9 -5.172 -21.082 7.082 63 HG2 GLU 9 2HG GLU 9 -5.330 -21.421 4.472 64 HG3 GLU 9 1HG GLU 9 -3.571 -21.392 4.568 65 H ILE 10 HN ILE 10 -3.104 -17.900 5.492 66 HA ILE 10 HA ILE 10 -3.376 -17.912 2.546 67 HB ILE 10 HB ILE 10 -1.665 -15.988 4.108 68 HG12 ILE 10 2HG1 ILE 10 -4.601 -15.659 3.410 69 HG13 ILE 10 1HG1 ILE 10 -3.945 -15.814 5.041 70 HG21 ILE 10 1HG2 ILE 10 -1.816 -14.662 2.130 71 HG22 ILE 10 2HG2 ILE 10 -3.156 -15.624 1.505 72 HG23 ILE 10 3HG2 ILE 10 -1.534 -16.311 1.574 73 HD11 ILE 10 1HD1 ILE 10 -4.011 -13.509 4.909 74 HD12 ILE 10 2HD1 ILE 10 -3.811 -13.499 3.155 75 HD13 ILE 10 3HD1 ILE 10 -2.418 -13.775 4.202 76 H GLN 11 HN GLN 11 -1.778 -18.846 1.366 77 HA GLN 11 HA GLN 11 0.030 -20.644 2.314 78 HB2 GLN 11 2HB GLN 11 -0.389 -20.329 -0.083 79 HB3 GLN 11 1HB GLN 11 0.471 -18.790 -0.039 80 HG2 GLN 11 2HG GLN 11 2.483 -19.806 -0.145 81 HG3 GLN 11 1HG GLN 11 2.051 -20.941 1.132 82 HE21 GLN 11 1HE2 GLN 11 0.988 -22.972 0.485 83 HE22 GLN 11 2HE2 GLN 11 1.072 -23.515 -1.120 84 H ASP 12 HN ASP 12 1.712 -20.541 3.655 85 HA ASP 12 HA ASP 12 3.435 -19.710 4.923 86 HB2 ASP 12 2HB ASP 12 4.539 -19.482 2.738 87 HB3 ASP 12 1HB ASP 12 3.806 -17.895 2.525 88 H VAL 13 HN VAL 13 3.477 -16.545 3.672 89 HA VAL 13 HA VAL 13 3.076 -14.522 4.710 90 HB VAL 13 HB VAL 13 0.432 -15.927 5.156 91 HG11 VAL 13 1HG1 VAL 13 1.379 -13.131 5.620 92 HG12 VAL 13 2HG1 VAL 13 0.190 -14.076 6.515 93 HG13 VAL 13 3HG1 VAL 13 -0.241 -13.355 4.963 94 HG21 VAL 13 1HG2 VAL 13 0.319 -15.781 2.900 95 HG22 VAL 13 2HG2 VAL 13 1.778 -14.799 2.818 96 HG23 VAL 13 3HG2 VAL 13 0.217 -14.035 3.115 97 H SER 14 HN SER 14 4.373 -14.318 6.438 98 HA SER 14 HA SER 14 3.515 -14.001 8.984 99 HB2 SER 14 2HB SER 14 3.912 -16.881 8.377 100 HB3 SER 14 1HB SER 14 4.607 -16.302 9.887 101 HG SER 14 HG SER 14 1.925 -15.929 9.022 102 H GLY 15 HN GLY 15 5.148 -12.427 8.713 103 HA2 GLY 15 2HA GLY 15 7.474 -12.561 9.979 104 HA3 GLY 15 1HA GLY 15 7.918 -13.334 8.460 105 H THR 16 HN THR 16 9.428 -11.569 8.192 106 HA THR 16 HA THR 16 8.332 -8.918 7.724 107 HB THR 16 HB THR 16 11.155 -9.440 7.057 108 HG1 THR 16 1HG THR 16 10.160 -9.634 9.706 109 HG21 THR 16 1HG2 THR 16 11.455 -7.328 8.069 110 HG22 THR 16 2HG2 THR 16 9.984 -7.485 9.031 111 HG23 THR 16 3HG2 THR 16 9.875 -7.204 7.293 112 H TRP 17 HN TRP 17 8.544 -7.766 5.797 113 HA TRP 17 HA TRP 17 9.182 -9.277 3.360 114 HB2 TRP 17 2HB TRP 17 6.566 -7.850 3.902 115 HB3 TRP 17 1HB TRP 17 7.104 -8.311 2.291 116 HD1 TRP 17 1HD TRP 17 6.440 -9.998 5.718 117 HE1 TRP 17 1HE TRP 17 5.570 -12.382 5.277 118 HE3 TRP 17 3HE TRP 17 6.738 -10.122 0.620 119 HZ2 TRP 17 2HZ TRP 17 5.058 -14.110 3.059 120 HZ3 TRP 17 3HZ TRP 17 6.040 -12.144 -0.632 121 HH2 TRP 17 2HH TRP 17 5.203 -14.138 0.582 122 H TYR 18 HN TYR 18 8.840 -7.573 1.432 123 HA TYR 18 HA TYR 18 9.792 -4.923 2.307 124 HB2 TYR 18 2HB TYR 18 11.022 -6.366 -0.044 125 HB3 TYR 18 1HB TYR 18 11.602 -4.916 0.775 126 HD1 TYR 18 1HD TYR 18 11.681 -8.522 0.687 127 HD2 TYR 18 2HD TYR 18 12.374 -5.108 3.201 128 HE1 TYR 18 1HE TYR 18 13.031 -9.927 2.220 129 HE2 TYR 18 2HE TYR 18 13.726 -6.514 4.735 130 HH TYR 18 HH TYR 18 13.676 -9.298 5.198 131 H LEU 19 HN LEU 19 9.493 -3.274 0.603 132 HA LEU 19 HA LEU 19 7.205 -3.960 -1.128 133 HB2 LEU 19 2HB LEU 19 6.843 -2.149 0.552 134 HB3 LEU 19 1HB LEU 19 8.149 -1.230 -0.195 135 HG LEU 19 HG LEU 19 6.110 -2.192 -2.099 136 HD11 LEU 19 1HD1 LEU 19 5.423 -0.336 0.180 137 HD12 LEU 19 2HD1 LEU 19 4.496 -1.703 -0.442 138 HD13 LEU 19 3HD1 LEU 19 4.605 -0.212 -1.378 139 HD21 LEU 19 1HD2 LEU 19 7.056 0.625 -1.577 140 HD22 LEU 19 2HD2 LEU 19 6.503 -0.080 -3.097 141 HD23 LEU 19 3HD2 LEU 19 8.067 -0.541 -2.429 142 H LYS 20 HN LYS 20 7.575 -4.065 -3.235 143 HA LYS 20 HA LYS 20 10.151 -3.046 -4.245 144 HB2 LYS 20 2HB LYS 20 8.352 -4.988 -5.666 145 HB3 LYS 20 1HB LYS 20 10.075 -4.712 -5.906 146 HG2 LYS 20 2HG LYS 20 10.538 -5.587 -3.643 147 HG3 LYS 20 1HG LYS 20 8.818 -5.876 -3.395 148 HD2 LYS 20 2HD LYS 20 9.231 -7.942 -4.227 149 HD3 LYS 20 1HD LYS 20 9.269 -7.143 -5.799 150 HE2 LYS 20 2HE LYS 20 11.761 -6.692 -5.310 151 HE3 LYS 20 1HE LYS 20 11.594 -7.889 -4.025 152 HZ1 LYS 20 1HZ LYS 20 10.924 -9.524 -5.597 153 HZ2 LYS 20 2HZ LYS 20 12.351 -8.811 -6.183 154 HZ3 LYS 20 3HZ LYS 20 10.848 -8.386 -6.853 155 H ALA 21 HN ALA 21 6.807 -2.354 -4.390 156 HA ALA 21 HA ALA 21 7.222 -0.171 -6.179 157 HB1 ALA 21 1HB ALA 21 6.869 -1.096 -8.185 158 HB2 ALA 21 2HB ALA 21 5.327 -1.747 -7.634 159 HB3 ALA 21 3HB ALA 21 6.805 -2.686 -7.424 160 H MET 22 HN MET 22 5.415 1.176 -6.382 161 HA MET 22 HA MET 22 2.869 0.314 -5.364 162 HB2 MET 22 2HB MET 22 2.787 1.371 -3.359 163 HB3 MET 22 1HB MET 22 4.529 1.146 -3.418 164 HG2 MET 22 2HG MET 22 4.549 3.466 -4.618 165 HG3 MET 22 1HG MET 22 2.928 3.640 -3.937 166 HE1 MET 22 1HE MET 22 2.700 4.953 -1.768 167 HE2 MET 22 2HE MET 22 3.870 5.790 -2.784 168 HE3 MET 22 3HE MET 22 4.172 5.634 -1.053 169 H THR 23 HN THR 23 1.176 1.667 -5.890 170 HA THR 23 HA THR 23 1.860 3.671 -7.945 171 HB THR 23 HB THR 23 0.537 1.714 -8.697 172 HG1 THR 23 1HG THR 23 -0.325 4.328 -8.765 173 HG21 THR 23 1HG2 THR 23 -1.724 2.746 -7.015 174 HG22 THR 23 2HG2 THR 23 -0.576 1.573 -6.367 175 HG23 THR 23 3HG2 THR 23 -1.543 1.170 -7.786 176 H VAL 24 HN VAL 24 1.306 5.754 -7.642 177 HA VAL 24 HA VAL 24 -0.818 6.397 -5.713 178 HB VAL 24 HB VAL 24 0.752 8.202 -4.757 179 HG11 VAL 24 1HG1 VAL 24 -0.014 6.277 -3.453 180 HG12 VAL 24 2HG1 VAL 24 1.690 6.585 -3.119 181 HG13 VAL 24 3HG1 VAL 24 1.227 5.263 -4.187 182 HG21 VAL 24 1HG2 VAL 24 3.032 6.405 -5.221 183 HG22 VAL 24 2HG2 VAL 24 2.960 8.166 -5.285 184 HG23 VAL 24 3HG2 VAL 24 2.463 7.212 -6.681 185 H ASP 25 HN ASP 25 -2.161 7.555 -6.985 186 HA ASP 25 HA ASP 25 -1.578 8.878 -9.318 187 HB2 ASP 25 2HB ASP 25 -3.724 9.572 -9.229 188 HB3 ASP 25 1HB ASP 25 -3.822 8.597 -7.763 189 H ARG 26 HN ARG 26 -1.712 11.379 -9.578 190 HA ARG 26 HA ARG 26 0.434 12.463 -7.898 191 HB2 ARG 26 2HB ARG 26 -0.710 13.639 -10.431 192 HB3 ARG 26 1HB ARG 26 0.821 14.042 -9.651 193 HG2 ARG 26 2HG ARG 26 1.806 12.450 -10.915 194 HG3 ARG 26 1HG ARG 26 0.884 11.247 -10.022 195 HD2 ARG 26 2HD ARG 26 0.535 11.070 -12.478 196 HD3 ARG 26 1HD ARG 26 -0.956 11.414 -11.608 197 HE ARG 26 HE ARG 26 0.466 13.745 -12.624 198 HH11 ARG 26 1HH1 ARG 26 -0.695 14.965 -14.145 199 HH12 ARG 26 2HH1 ARG 26 -2.135 14.314 -14.853 200 HH21 ARG 26 1HH2 ARG 26 -1.964 11.325 -13.104 201 HH22 ARG 26 2HH2 ARG 26 -2.853 12.256 -14.264 202 H GLU 27 HN GLU 27 -2.386 12.293 -6.941 203 HA GLU 27 HA GLU 27 -2.712 15.151 -6.301 204 HB2 GLU 27 2HB GLU 27 -4.388 14.053 -8.053 205 HB3 GLU 27 1HB GLU 27 -5.153 13.457 -6.580 206 HG2 GLU 27 2HG GLU 27 -6.217 15.515 -6.860 207 HG3 GLU 27 1HG GLU 27 -4.899 15.939 -5.768 208 H PHE 28 HN PHE 28 -3.852 11.867 -5.494 209 HA PHE 28 HA PHE 28 -4.706 12.316 -2.885 210 HB2 PHE 28 2HB PHE 28 -3.500 9.921 -4.267 211 HB3 PHE 28 1HB PHE 28 -3.933 9.842 -2.570 212 HD1 PHE 28 1HD PHE 28 -5.115 9.261 -5.802 213 HD2 PHE 28 2HD PHE 28 -6.364 10.909 -2.039 214 HE1 PHE 28 1HE PHE 28 -7.482 8.912 -6.439 215 HE2 PHE 28 2HE PHE 28 -8.732 10.556 -2.668 216 HZ PHE 28 HZ PHE 28 -9.292 9.561 -4.880 217 HA PRO 29 HA PRO 29 -1.394 13.358 -0.132 218 HB2 PRO 29 2HB PRO 29 -1.752 10.524 0.829 219 HB3 PRO 29 1HB PRO 29 -1.456 11.992 1.779 220 HG2 PRO 29 2HG PRO 29 -3.903 11.051 1.521 221 HG3 PRO 29 1HG PRO 29 -3.580 12.789 1.474 222 HD2 PRO 29 2HD PRO 29 -4.427 11.010 -0.718 223 HD3 PRO 29 1HD PRO 29 -4.561 12.773 -0.590 224 H GLU 30 HN GLU 30 0.092 10.703 0.819 225 HA GLU 30 HA GLU 30 2.271 10.007 0.423 226 HB2 GLU 30 2HB GLU 30 0.733 9.355 -2.079 227 HB3 GLU 30 1HB GLU 30 2.436 8.921 -1.921 228 HG2 GLU 30 2HG GLU 30 0.599 7.209 -1.156 229 HG3 GLU 30 1HG GLU 30 2.035 7.438 -0.161 230 H MET 31 HN MET 31 2.534 12.518 0.481 231 HA MET 31 HA MET 31 2.927 14.192 -1.584 232 HB2 MET 31 2HB MET 31 5.225 14.256 0.257 233 HB3 MET 31 1HB MET 31 4.043 15.502 -0.123 234 HG2 MET 31 2HG MET 31 3.674 13.170 1.764 235 HG3 MET 31 1HG MET 31 3.763 14.871 2.201 236 HE1 MET 31 1HE MET 31 1.862 13.101 3.275 237 HE2 MET 31 2HE MET 31 1.226 12.080 1.992 238 HE3 MET 31 3HE MET 31 0.170 13.255 2.779 239 H ASN 32 HN ASN 32 5.942 12.704 -0.380 240 HA ASN 32 HA ASN 32 6.528 11.716 -3.067 241 HB2 ASN 32 2HB ASN 32 7.959 13.997 -1.746 242 HB3 ASN 32 1HB ASN 32 8.842 12.905 -2.812 243 HD21 ASN 32 1HD2 ASN 32 8.059 12.743 -5.093 244 HD22 ASN 32 2HD2 ASN 32 7.179 14.028 -5.768 245 H LEU 33 HN LEU 33 6.408 9.665 -1.913 246 HA LEU 33 HA LEU 33 7.869 8.988 0.328 247 HB2 LEU 33 2HB LEU 33 6.178 7.511 -0.614 248 HB3 LEU 33 1HB LEU 33 7.125 7.313 -2.085 249 HG LEU 33 HG LEU 33 8.897 6.199 -0.839 250 HD11 LEU 33 1HD1 LEU 33 8.130 5.577 1.628 251 HD12 LEU 33 2HD1 LEU 33 7.255 7.098 1.496 252 HD13 LEU 33 3HD1 LEU 33 9.008 7.067 1.304 253 HD21 LEU 33 1HD2 LEU 33 7.737 4.164 -0.276 254 HD22 LEU 33 2HD2 LEU 33 6.871 4.903 -1.627 255 HD23 LEU 33 3HD2 LEU 33 6.236 5.040 0.012 256 H GLU 34 HN GLU 34 9.948 9.077 0.696 257 HA GLU 34 HA GLU 34 11.832 9.172 -1.547 258 HB2 GLU 34 2HB GLU 34 11.669 10.390 1.034 259 HB3 GLU 34 1HB GLU 34 13.161 9.456 0.941 260 HG2 GLU 34 2HG GLU 34 13.708 10.559 -1.206 261 HG3 GLU 34 1HG GLU 34 12.233 11.517 -1.080 262 H SER 35 HN SER 35 10.923 7.112 1.141 263 HA SER 35 HA SER 35 12.420 4.918 0.058 264 HB2 SER 35 2HB SER 35 14.115 4.668 1.656 265 HB3 SER 35 1HB SER 35 14.133 6.397 1.320 266 HG SER 35 HG SER 35 13.988 6.386 3.460 267 H VAL 36 HN VAL 36 12.199 2.962 1.421 268 HA VAL 36 HA VAL 36 9.963 3.123 3.318 269 HB VAL 36 HB VAL 36 9.299 2.438 0.923 270 HG11 VAL 36 1HG1 VAL 36 11.376 0.805 0.966 271 HG12 VAL 36 2HG1 VAL 36 9.887 0.314 0.159 272 HG13 VAL 36 3HG1 VAL 36 10.248 -0.281 1.780 273 HG21 VAL 36 1HG2 VAL 36 7.791 2.139 2.797 274 HG22 VAL 36 2HG2 VAL 36 8.696 0.733 3.359 275 HG23 VAL 36 3HG2 VAL 36 7.782 0.649 1.854 276 H THR 37 HN THR 37 9.870 1.449 4.855 277 HA THR 37 HA THR 37 12.454 0.081 5.221 278 HB THR 37 HB THR 37 11.885 0.001 7.588 279 HG1 THR 37 1HG THR 37 9.942 0.902 8.282 280 HG21 THR 37 1HG2 THR 37 11.280 2.751 6.495 281 HG22 THR 37 2HG2 THR 37 12.905 2.068 6.589 282 HG23 THR 37 3HG2 THR 37 11.982 2.362 8.065 283 HA PRO 38 HA PRO 38 10.811 -4.007 4.560 284 HB2 PRO 38 2HB PRO 38 11.684 -4.524 7.381 285 HB3 PRO 38 1HB PRO 38 11.961 -5.496 5.924 286 HG2 PRO 38 2HG PRO 38 13.857 -3.928 6.991 287 HG3 PRO 38 1HG PRO 38 13.731 -4.225 5.251 288 HD2 PRO 38 2HD PRO 38 13.180 -1.747 6.750 289 HD3 PRO 38 1HD PRO 38 13.476 -1.975 5.012 290 H MET 39 HN MET 39 8.733 -4.785 4.801 291 HA MET 39 HA MET 39 7.088 -3.580 6.879 292 HB2 MET 39 2HB MET 39 6.216 -3.511 4.614 293 HB3 MET 39 1HB MET 39 6.381 -5.261 4.467 294 HG2 MET 39 2HG MET 39 4.557 -5.684 5.785 295 HG3 MET 39 1HG MET 39 4.835 -4.273 6.802 296 HE1 MET 39 1HE MET 39 3.129 -4.299 2.564 297 HE2 MET 39 2HE MET 39 4.372 -5.327 3.266 298 HE3 MET 39 3HE MET 39 4.774 -3.686 2.768 299 H THR 40 HN THR 40 6.142 -4.671 8.505 300 HA THR 40 HA THR 40 6.948 -7.477 8.831 301 HB THR 40 HB THR 40 5.782 -5.913 11.081 302 HG1 THR 40 1HG THR 40 7.645 -4.867 9.673 303 HG21 THR 40 1HG2 THR 40 8.259 -7.591 11.150 304 HG22 THR 40 2HG2 THR 40 6.698 -8.391 10.975 305 HG23 THR 40 3HG2 THR 40 7.018 -7.382 12.385 306 H LEU 41 HN LEU 41 5.378 -8.795 8.034 307 HA LEU 41 HA LEU 41 2.572 -8.095 8.571 308 HB2 LEU 41 2HB LEU 41 3.895 -9.991 6.633 309 HB3 LEU 41 1HB LEU 41 2.163 -10.012 6.936 310 HG LEU 41 HG LEU 41 2.784 -7.298 6.489 311 HD11 LEU 41 1HD1 LEU 41 3.920 -7.369 4.306 312 HD12 LEU 41 2HD1 LEU 41 4.146 -9.106 4.481 313 HD13 LEU 41 3HD1 LEU 41 4.957 -7.996 5.586 314 HD21 LEU 41 1HD2 LEU 41 0.730 -8.368 5.788 315 HD22 LEU 41 2HD2 LEU 41 1.622 -9.466 4.735 316 HD23 LEU 41 3HD2 LEU 41 1.536 -7.750 4.344 317 H THR 42 HN THR 42 1.988 -8.824 10.517 318 HA THR 42 HA THR 42 2.918 -11.453 11.410 319 HB THR 42 HB THR 42 2.682 -10.691 13.522 320 HG1 THR 42 1HG THR 42 0.760 -10.217 14.224 321 HG21 THR 42 1HG2 THR 42 2.150 -8.047 12.146 322 HG22 THR 42 2HG2 THR 42 3.744 -8.768 12.348 323 HG23 THR 42 3HG2 THR 42 2.814 -8.270 13.762 324 H THR 43 HN THR 43 1.682 -13.179 11.283 325 HA THR 43 HA THR 43 -1.060 -12.846 10.321 326 HB THR 43 HB THR 43 0.483 -15.425 10.673 327 HG1 THR 43 1HG THR 43 1.578 -14.696 9.032 328 HG21 THR 43 1HG2 THR 43 -2.022 -15.533 10.509 329 HG22 THR 43 2HG2 THR 43 -1.193 -16.325 9.166 330 HG23 THR 43 3HG2 THR 43 -1.905 -14.727 8.941 331 H LEU 44 HN LEU 44 -2.556 -12.585 11.827 332 HA LEU 44 HA LEU 44 -2.173 -13.615 14.497 333 HB2 LEU 44 2HB LEU 44 -4.697 -12.334 13.499 334 HB3 LEU 44 1HB LEU 44 -4.015 -12.315 15.125 335 HG LEU 44 HG LEU 44 -2.853 -10.932 12.686 336 HD11 LEU 44 1HD1 LEU 44 -3.253 -9.050 14.655 337 HD12 LEU 44 2HD1 LEU 44 -4.658 -10.098 14.853 338 HD13 LEU 44 3HD1 LEU 44 -4.340 -9.335 13.296 339 HD21 LEU 44 1HD2 LEU 44 -1.850 -11.369 15.493 340 HD22 LEU 44 2HD2 LEU 44 -1.354 -9.945 14.577 341 HD23 LEU 44 3HD2 LEU 44 -0.983 -11.560 13.968 342 H GLU 45 HN GLU 45 -2.549 -15.616 14.963 343 HA GLU 45 HA GLU 45 -3.991 -17.487 13.467 344 HB2 GLU 45 2HB GLU 45 -3.589 -17.620 16.458 345 HB3 GLU 45 1HB GLU 45 -3.737 -18.963 15.324 346 HG2 GLU 45 2HG GLU 45 -1.486 -18.961 15.201 347 HG3 GLU 45 1HG GLU 45 -1.627 -17.447 14.308 348 H GLY 46 HN GLY 46 -5.915 -16.310 12.951 349 HA2 GLY 46 2HA GLY 46 -8.173 -17.116 14.430 350 HA3 GLY 46 1HA GLY 46 -7.846 -15.415 14.771 351 H GLY 47 HN GLY 47 -6.561 -15.301 12.026 352 HA2 GLY 47 2HA GLY 47 -7.507 -15.568 9.753 353 HA3 GLY 47 1HA GLY 47 -9.051 -15.085 10.446 354 H ASN 48 HN ASN 48 -6.574 -13.340 11.927 355 HA ASN 48 HA ASN 48 -7.040 -11.077 10.070 356 HB2 ASN 48 2HB ASN 48 -6.217 -10.697 12.928 357 HB3 ASN 48 1HB ASN 48 -7.022 -9.568 11.843 358 HD21 ASN 48 1HD2 ASN 48 -9.038 -11.436 10.853 359 HD22 ASN 48 2HD2 ASN 48 -10.099 -11.753 12.140 360 H LEU 49 HN LEU 49 -5.367 -9.678 9.594 361 HA LEU 49 HA LEU 49 -2.641 -10.720 10.171 362 HB2 LEU 49 2HB LEU 49 -3.983 -10.493 7.683 363 HB3 LEU 49 1HB LEU 49 -2.758 -9.225 7.718 364 HG LEU 49 HG LEU 49 -2.171 -12.121 8.398 365 HD11 LEU 49 1HD1 LEU 49 -2.242 -12.561 6.193 366 HD12 LEU 49 2HD1 LEU 49 -0.960 -11.372 5.956 367 HD13 LEU 49 3HD1 LEU 49 -2.649 -10.885 5.830 368 HD21 LEU 49 1HD2 LEU 49 -0.095 -10.301 7.365 369 HD22 LEU 49 2HD2 LEU 49 -0.020 -11.431 8.714 370 HD23 LEU 49 3HD2 LEU 49 -0.740 -9.837 8.934 371 H GLU 50 HN GLU 50 -1.101 -9.226 10.764 372 HA GLU 50 HA GLU 50 -1.965 -6.401 10.857 373 HB2 GLU 50 2HB GLU 50 -1.742 -7.352 13.107 374 HB3 GLU 50 1HB GLU 50 -0.104 -7.879 12.730 375 HG2 GLU 50 2HG GLU 50 0.727 -5.686 12.657 376 HG3 GLU 50 1HG GLU 50 -0.875 -4.989 12.415 377 H ALA 51 HN ALA 51 -0.840 -5.068 9.620 378 HA ALA 51 HA ALA 51 1.860 -5.910 8.770 379 HB1 ALA 51 1HB ALA 51 1.069 -4.216 6.804 380 HB2 ALA 51 2HB ALA 51 -0.477 -4.942 7.256 381 HB3 ALA 51 3HB ALA 51 0.864 -5.969 6.738 382 H LYS 52 HN LYS 52 3.430 -4.647 9.444 383 HA LYS 52 HA LYS 52 2.831 -1.797 9.972 384 HB2 LYS 52 2HB LYS 52 4.949 -3.198 11.534 385 HB3 LYS 52 1HB LYS 52 3.921 -1.841 11.999 386 HG2 LYS 52 2HG LYS 52 1.985 -3.620 11.778 387 HG3 LYS 52 1HG LYS 52 3.298 -4.775 12.004 388 HD2 LYS 52 2HD LYS 52 2.616 -2.477 13.861 389 HD3 LYS 52 1HD LYS 52 2.299 -4.185 14.169 390 HE2 LYS 52 2HE LYS 52 4.317 -4.083 15.238 391 HE3 LYS 52 1HE LYS 52 4.947 -4.299 13.606 392 HZ1 LYS 52 1HZ LYS 52 4.312 -1.569 14.326 393 HZ2 LYS 52 2HZ LYS 52 5.667 -2.194 13.513 394 HZ3 LYS 52 3HZ LYS 52 5.587 -2.255 15.209 395 H VAL 53 HN VAL 53 3.999 -0.450 8.748 396 HA VAL 53 HA VAL 53 6.773 -1.115 8.134 397 HB VAL 53 HB VAL 53 5.461 -2.024 6.251 398 HG11 VAL 53 1HG1 VAL 53 3.544 -0.429 6.536 399 HG12 VAL 53 2HG1 VAL 53 4.101 -0.572 4.869 400 HG13 VAL 53 3HG1 VAL 53 4.550 0.836 5.831 401 HG21 VAL 53 1HG2 VAL 53 7.091 -1.341 4.830 402 HG22 VAL 53 2HG2 VAL 53 7.647 -0.288 6.129 403 HG23 VAL 53 3HG2 VAL 53 6.545 0.333 4.901 404 H THR 54 HN THR 54 8.024 0.681 7.683 405 HA THR 54 HA THR 54 6.754 3.259 8.318 406 HB THR 54 HB THR 54 9.696 2.726 8.469 407 HG1 THR 54 1HG THR 54 8.120 1.260 9.736 408 HG21 THR 54 1HG2 THR 54 9.775 4.694 9.632 409 HG22 THR 54 2HG2 THR 54 8.213 4.421 10.403 410 HG23 THR 54 3HG2 THR 54 8.286 5.007 8.742 411 H MET 55 HN MET 55 6.695 4.759 6.796 412 HA MET 55 HA MET 55 8.375 4.366 4.397 413 HB2 MET 55 2HB MET 55 6.310 6.297 3.970 414 HB3 MET 55 1HB MET 55 6.568 4.766 3.148 415 HG2 MET 55 2HG MET 55 5.443 3.693 5.225 416 HG3 MET 55 1HG MET 55 4.883 5.335 5.577 417 HE1 MET 55 1HE MET 55 4.744 6.243 2.230 418 HE2 MET 55 2HE MET 55 4.041 6.843 3.730 419 HE3 MET 55 3HE MET 55 2.987 6.348 2.411 420 H LEU 56 HN LEU 56 9.398 6.118 3.475 421 HA LEU 56 HA LEU 56 9.942 8.305 5.384 422 HB2 LEU 56 2HB LEU 56 11.940 7.102 4.601 423 HB3 LEU 56 1HB LEU 56 11.487 7.414 2.930 424 HG LEU 56 HG LEU 56 11.692 9.850 3.316 425 HD11 LEU 56 1HD1 LEU 56 12.980 10.350 5.576 426 HD12 LEU 56 2HD1 LEU 56 12.161 8.885 6.118 427 HD13 LEU 56 3HD1 LEU 56 11.219 10.263 5.555 428 HD21 LEU 56 1HD2 LEU 56 14.007 9.882 3.140 429 HD22 LEU 56 2HD2 LEU 56 13.700 8.173 2.834 430 HD23 LEU 56 3HD2 LEU 56 14.226 8.700 4.432 431 H ILE 57 HN ILE 57 8.075 9.481 4.960 432 HA ILE 57 HA ILE 57 7.491 10.266 2.238 433 HB ILE 57 HB ILE 57 6.108 10.659 4.880 434 HG12 ILE 57 2HG1 ILE 57 6.081 8.495 3.338 435 HG13 ILE 57 1HG1 ILE 57 4.609 9.059 4.120 436 HG21 ILE 57 1HG2 ILE 57 5.636 12.683 3.776 437 HG22 ILE 57 2HG2 ILE 57 4.275 11.639 3.370 438 HG23 ILE 57 3HG2 ILE 57 5.571 11.900 2.194 439 HD11 ILE 57 1HD1 ILE 57 5.357 9.988 1.353 440 HD12 ILE 57 2HD1 ILE 57 3.782 10.034 2.144 441 HD13 ILE 57 3HD1 ILE 57 4.459 8.490 1.615 442 H SER 58 HN SER 58 8.362 11.953 1.368 443 HA SER 58 HA SER 58 9.600 13.888 1.148 444 HB2 SER 58 2HB SER 58 7.149 14.575 2.727 445 HB3 SER 58 1HB SER 58 8.330 15.828 2.355 446 HG SER 58 HG SER 58 7.919 15.617 0.258 447 H GLY 59 HN GLY 59 10.988 12.379 2.925 448 HA2 GLY 59 2HA GLY 59 12.711 12.657 4.434 449 HA3 GLY 59 1HA GLY 59 12.310 14.368 4.503 450 H ARG 60 HN ARG 60 9.856 12.002 5.150 451 HA ARG 60 HA ARG 60 10.148 12.443 8.057 452 HB2 ARG 60 2HB ARG 60 7.485 12.470 6.618 453 HB3 ARG 60 1HB ARG 60 7.787 12.809 8.319 454 HG2 ARG 60 2HG ARG 60 8.914 14.854 7.820 455 HG3 ARG 60 1HG ARG 60 9.021 14.460 6.104 456 HD2 ARG 60 2HD ARG 60 7.210 16.112 6.645 457 HD3 ARG 60 1HD ARG 60 6.635 14.659 5.833 458 HE ARG 60 HE ARG 60 5.475 14.092 7.771 459 HH11 ARG 60 1HH1 ARG 60 4.730 14.516 9.875 460 HH12 ARG 60 2HH1 ARG 60 5.493 15.747 10.826 461 HH21 ARG 60 1HH2 ARG 60 7.786 16.599 8.368 462 HH22 ARG 60 2HH2 ARG 60 7.223 16.927 9.973 463 H CYS 61 HN CYS 61 10.033 10.622 9.220 464 HA CYS 61 HA CYS 61 9.545 8.111 7.840 465 HB2 CYS 61 2HB CYS 61 10.279 8.694 10.723 466 HB3 CYS 61 1HB CYS 61 10.213 7.092 9.992 467 H GLN 62 HN GLN 62 7.437 7.735 7.463 468 HA GLN 62 HA GLN 62 5.482 8.274 9.589 469 HB2 GLN 62 2HB GLN 62 5.262 7.763 6.632 470 HB3 GLN 62 1HB GLN 62 3.857 7.618 7.690 471 HG2 GLN 62 2HG GLN 62 5.593 10.072 7.811 472 HG3 GLN 62 1HG GLN 62 4.354 9.922 6.566 473 HE21 GLN 62 1HE2 GLN 62 2.214 8.779 7.843 474 HE22 GLN 62 2HE2 GLN 62 1.719 9.719 9.165 475 H GLU 63 HN GLU 63 5.181 6.654 10.972 476 HA GLU 63 HA GLU 63 5.692 3.900 10.249 477 HB2 GLU 63 2HB GLU 63 4.406 3.791 12.659 478 HB3 GLU 63 1HB GLU 63 6.145 4.020 12.473 479 HG2 GLU 63 2HG GLU 63 5.930 6.407 12.632 480 HG3 GLU 63 1HG GLU 63 4.173 6.314 12.525 481 H VAL 64 HN VAL 64 4.283 2.737 9.127 482 HA VAL 64 HA VAL 64 1.422 3.435 9.287 483 HB VAL 64 HB VAL 64 2.803 1.671 7.266 484 HG11 VAL 64 1HG1 VAL 64 0.363 1.381 7.495 485 HG12 VAL 64 2HG1 VAL 64 0.768 2.137 5.951 486 HG13 VAL 64 3HG1 VAL 64 0.139 3.118 7.275 487 HG21 VAL 64 1HG2 VAL 64 2.528 3.772 5.807 488 HG22 VAL 64 2HG2 VAL 64 3.832 3.798 6.998 489 HG23 VAL 64 3HG2 VAL 64 2.321 4.654 7.321 490 H LYS 65 HN LYS 65 -0.083 1.954 9.941 491 HA LYS 65 HA LYS 65 0.779 -0.795 10.472 492 HB2 LYS 65 2HB LYS 65 0.914 -0.157 12.669 493 HB3 LYS 65 1HB LYS 65 -0.118 1.253 12.431 494 HG2 LYS 65 2HG LYS 65 -2.106 -0.059 12.520 495 HG3 LYS 65 1HG LYS 65 -1.204 -1.569 12.355 496 HD2 LYS 65 2HD LYS 65 -0.116 -1.107 14.551 497 HD3 LYS 65 1HD LYS 65 -1.150 0.316 14.722 498 HE2 LYS 65 2HE LYS 65 -2.965 -1.616 14.042 499 HE3 LYS 65 1HE LYS 65 -1.820 -2.533 15.022 500 HZ1 LYS 65 1HZ LYS 65 -2.024 -0.812 16.744 501 HZ2 LYS 65 2HZ LYS 65 -3.505 -1.583 16.427 502 HZ3 LYS 65 3HZ LYS 65 -3.205 -0.027 15.812 503 H ALA 66 HN ALA 66 -0.636 -2.166 9.683 504 HA ALA 66 HA ALA 66 -3.413 -1.276 9.251 505 HB1 ALA 66 1HB ALA 66 -3.362 -1.713 7.039 506 HB2 ALA 66 2HB ALA 66 -2.388 -3.167 7.256 507 HB3 ALA 66 3HB ALA 66 -1.611 -1.583 7.211 508 H VAL 67 HN VAL 67 -4.833 -2.587 10.159 509 HA VAL 67 HA VAL 67 -4.018 -5.345 10.823 510 HB VAL 67 HB VAL 67 -6.479 -4.137 11.980 511 HG11 VAL 67 1HG1 VAL 67 -5.790 -5.513 13.876 512 HG12 VAL 67 2HG1 VAL 67 -4.233 -5.835 13.106 513 HG13 VAL 67 3HG1 VAL 67 -5.715 -6.476 12.399 514 HG21 VAL 67 1HG2 VAL 67 -4.802 -3.309 13.844 515 HG22 VAL 67 2HG2 VAL 67 -5.135 -2.282 12.448 516 HG23 VAL 67 3HG2 VAL 67 -3.657 -3.243 12.505 517 H LEU 68 HN LEU 68 -4.620 -6.648 9.214 518 HA LEU 68 HA LEU 68 -6.957 -6.066 7.654 519 HB2 LEU 68 2HB LEU 68 -5.240 -8.541 7.559 520 HB3 LEU 68 1HB LEU 68 -6.274 -7.904 6.285 521 HG LEU 68 HG LEU 68 -3.791 -6.568 7.402 522 HD11 LEU 68 1HD1 LEU 68 -3.776 -8.619 5.726 523 HD12 LEU 68 2HD1 LEU 68 -2.708 -7.243 5.457 524 HD13 LEU 68 3HD1 LEU 68 -4.213 -7.384 4.547 525 HD21 LEU 68 1HD2 LEU 68 -4.307 -5.082 5.309 526 HD22 LEU 68 2HD2 LEU 68 -5.188 -4.779 6.804 527 HD23 LEU 68 3HD2 LEU 68 -5.950 -5.685 5.497 528 H GLU 69 HN GLU 69 -8.660 -6.249 9.209 529 HA GLU 69 HA GLU 69 -9.062 -8.762 10.569 530 HB2 GLU 69 2HB GLU 69 -10.723 -6.256 10.235 531 HB3 GLU 69 1HB GLU 69 -11.339 -7.692 11.057 532 HG2 GLU 69 2HG GLU 69 -8.744 -6.332 11.806 533 HG3 GLU 69 1HG GLU 69 -10.284 -5.969 12.580 534 H LYS 70 HN LYS 70 -10.124 -10.476 9.785 535 HA LYS 70 HA LYS 70 -10.876 -10.599 7.040 536 HB2 LYS 70 2HB LYS 70 -10.112 -12.589 8.170 537 HB3 LYS 70 1HB LYS 70 -11.399 -12.466 9.364 538 HG2 LYS 70 2HG LYS 70 -12.391 -12.503 6.599 539 HG3 LYS 70 1HG LYS 70 -11.499 -13.958 7.032 540 HD2 LYS 70 2HD LYS 70 -12.915 -14.183 9.077 541 HD3 LYS 70 1HD LYS 70 -13.856 -12.788 8.542 542 HE2 LYS 70 2HE LYS 70 -13.974 -14.260 6.293 543 HE3 LYS 70 1HE LYS 70 -13.793 -15.563 7.466 544 HZ1 LYS 70 1HZ LYS 70 -15.871 -15.287 8.141 545 HZ2 LYS 70 2HZ LYS 70 -16.103 -14.207 6.849 546 HZ3 LYS 70 3HZ LYS 70 -15.650 -13.621 8.379 547 H THR 71 HN THR 71 -12.857 -10.550 6.061 548 HA THR 71 HA THR 71 -15.152 -9.717 7.737 549 HB THR 71 HB THR 71 -15.943 -8.414 5.834 550 HG1 THR 71 1HG THR 71 -13.653 -9.531 4.611 551 HG21 THR 71 1HG2 THR 71 -13.346 -7.271 5.656 552 HG22 THR 71 2HG2 THR 71 -13.519 -7.928 7.284 553 HG23 THR 71 3HG2 THR 71 -14.688 -6.756 6.677 554 H ASP 72 HN ASP 72 -17.227 -9.965 6.108 555 HA ASP 72 HA ASP 72 -17.567 -12.809 5.894 556 HB2 ASP 72 2HB ASP 72 -19.256 -10.650 6.251 557 HB3 ASP 72 1HB ASP 72 -19.622 -11.182 4.610 558 H GLU 73 HN GLU 73 -15.957 -10.785 3.923 559 HA GLU 73 HA GLU 73 -16.707 -12.301 1.496 560 HB2 GLU 73 2HB GLU 73 -17.164 -9.665 1.754 561 HB3 GLU 73 1HB GLU 73 -15.503 -9.617 1.167 562 HG2 GLU 73 2HG GLU 73 -16.148 -11.103 -0.718 563 HG3 GLU 73 1HG GLU 73 -17.818 -11.054 -0.154 564 HA PRO 74 HA PRO 74 -12.383 -13.593 2.404 565 HB2 PRO 74 2HB PRO 74 -12.867 -14.842 -0.273 566 HB3 PRO 74 1HB PRO 74 -12.111 -15.535 1.176 567 HG2 PRO 74 2HG PRO 74 -14.601 -16.154 0.499 568 HG3 PRO 74 1HG PRO 74 -14.128 -15.951 2.195 569 HD2 PRO 74 2HD PRO 74 -15.753 -14.151 0.466 570 HD3 PRO 74 1HD PRO 74 -15.812 -14.378 2.229 571 H GLY 75 HN GLY 75 -10.497 -12.647 1.845 572 HA2 GLY 75 2HA GLY 75 -8.897 -11.561 0.554 573 HA3 GLY 75 1HA GLY 75 -10.013 -11.571 -0.799 574 H LYS 76 HN LYS 76 -11.502 -10.415 1.968 575 HA LYS 76 HA LYS 76 -10.887 -7.607 1.273 576 HB2 LYS 76 2HB LYS 76 -13.140 -8.345 0.417 577 HB3 LYS 76 1HB LYS 76 -13.598 -8.661 2.090 578 HG2 LYS 76 2HG LYS 76 -12.938 -6.234 2.585 579 HG3 LYS 76 1HG LYS 76 -12.872 -6.003 0.842 580 HD2 LYS 76 2HD LYS 76 -15.192 -6.461 0.584 581 HD3 LYS 76 1HD LYS 76 -15.320 -7.143 2.207 582 HE2 LYS 76 2HE LYS 76 -14.766 -4.901 3.152 583 HE3 LYS 76 1HE LYS 76 -14.781 -4.242 1.516 584 HZ1 LYS 76 1HZ LYS 76 -16.945 -3.935 1.843 585 HZ2 LYS 76 2HZ LYS 76 -16.972 -4.914 3.232 586 HZ3 LYS 76 3HZ LYS 76 -17.122 -5.615 1.692 587 H TYR 77 HN TYR 77 -9.768 -6.844 3.006 588 HA TYR 77 HA TYR 77 -10.784 -7.615 5.668 589 HB2 TYR 77 2HB TYR 77 -7.986 -6.738 4.990 590 HB3 TYR 77 1HB TYR 77 -8.566 -7.318 6.547 591 HD1 TYR 77 1HD TYR 77 -8.109 -8.325 2.982 592 HD2 TYR 77 2HD TYR 77 -8.618 -9.624 7.045 593 HE1 TYR 77 1HE TYR 77 -7.623 -10.656 2.301 594 HE2 TYR 77 2HE TYR 77 -8.135 -11.957 6.359 595 HH TYR 77 HH TYR 77 -6.726 -12.764 3.466 596 H THR 78 HN THR 78 -10.382 -6.016 7.400 597 HA THR 78 HA THR 78 -10.535 -3.247 6.384 598 HB THR 78 HB THR 78 -12.135 -3.014 8.518 599 HG1 THR 78 1HG THR 78 -12.817 -4.883 9.130 600 HG21 THR 78 1HG2 THR 78 -12.713 -3.717 5.655 601 HG22 THR 78 2HG2 THR 78 -12.899 -2.168 6.485 602 HG23 THR 78 3HG2 THR 78 -14.041 -3.478 6.792 603 H ALA 79 HN ALA 79 -9.863 -1.601 7.848 604 HA ALA 79 HA ALA 79 -7.703 -2.517 9.534 605 HB1 ALA 79 1HB ALA 79 -7.228 -0.585 8.270 606 HB2 ALA 79 2HB ALA 79 -7.430 -0.017 9.927 607 HB3 ALA 79 3HB ALA 79 -8.732 0.196 8.758 608 H ASP 80 HN ASP 80 -9.657 -3.655 10.879 609 HA ASP 80 HA ASP 80 -10.844 -3.727 12.831 610 HB2 ASP 80 2HB ASP 80 -8.330 -3.077 13.438 611 HB3 ASP 80 1HB ASP 80 -9.117 -1.608 14.009 612 H GLY 81 HN GLY 81 -11.990 -2.010 10.936 613 HA2 GLY 81 2HA GLY 81 -13.691 -0.451 10.856 614 HA3 GLY 81 1HA GLY 81 -13.657 -0.412 12.621 615 H GLY 82 HN GLY 82 -11.480 0.423 9.950 616 HA2 GLY 82 2HA GLY 82 -10.752 2.901 11.422 617 HA3 GLY 82 1HA GLY 82 -9.734 2.105 10.224 618 H LYS 83 HN LYS 83 -11.989 1.563 8.504 619 HA LYS 83 HA LYS 83 -13.589 2.725 7.126 620 HB2 LYS 83 2HB LYS 83 -11.777 5.148 7.408 621 HB3 LYS 83 1HB LYS 83 -13.256 5.048 6.471 622 HG2 LYS 83 2HG LYS 83 -13.744 4.188 9.201 623 HG3 LYS 83 1HG LYS 83 -13.063 5.815 9.164 624 HD2 LYS 83 2HD LYS 83 -15.382 4.968 7.414 625 HD3 LYS 83 1HD LYS 83 -15.595 5.698 9.004 626 HE2 LYS 83 2HE LYS 83 -15.094 7.765 8.236 627 HE3 LYS 83 1HE LYS 83 -13.694 7.177 7.342 628 HZ1 LYS 83 1HZ LYS 83 -16.497 6.832 6.433 629 HZ2 LYS 83 2HZ LYS 83 -15.082 6.503 5.552 630 HZ3 LYS 83 3HZ LYS 83 -15.494 8.106 5.933 631 H HIS 84 HN HIS 84 -10.912 1.341 7.090 632 HA HIS 84 HA HIS 84 -10.313 1.806 4.257 633 HB2 HIS 84 2HB HIS 84 -8.531 2.005 6.519 634 HB3 HIS 84 1HB HIS 84 -8.026 0.684 5.465 635 HD1 HIS 84 1HD HIS 84 -8.254 4.380 5.653 636 HD2 HIS 84 2HD HIS 84 -7.468 1.516 2.729 637 HE1 HIS 84 1HE HIS 84 -7.276 5.622 3.668 638 H VAL 85 HN VAL 85 -10.257 0.026 3.049 639 HA VAL 85 HA VAL 85 -11.061 -2.472 4.325 640 HB VAL 85 HB VAL 85 -10.785 -2.061 1.362 641 HG11 VAL 85 1HG1 VAL 85 -11.342 -4.312 2.442 642 HG12 VAL 85 2HG1 VAL 85 -12.509 -3.727 1.260 643 HG13 VAL 85 3HG1 VAL 85 -12.847 -3.574 2.983 644 HG21 VAL 85 1HG2 VAL 85 -12.123 -0.220 1.718 645 HG22 VAL 85 2HG2 VAL 85 -12.698 -0.816 3.278 646 HG23 VAL 85 3HG2 VAL 85 -13.373 -1.464 1.779 647 H ALA 86 HN ALA 86 -9.877 -3.596 1.680 648 HA ALA 86 HA ALA 86 -7.310 -3.528 1.260 649 HB1 ALA 86 1HB ALA 86 -6.319 -5.291 2.920 650 HB2 ALA 86 2HB ALA 86 -7.583 -4.670 3.988 651 HB3 ALA 86 3HB ALA 86 -6.358 -3.579 3.335 652 H TYR 87 HN TYR 87 -6.538 -5.080 -0.004 653 HA TYR 87 HA TYR 87 -7.903 -7.686 -0.032 654 HB2 TYR 87 2HB TYR 87 -7.391 -5.893 -2.408 655 HB3 TYR 87 1HB TYR 87 -7.759 -7.605 -2.554 656 HD1 TYR 87 1HD TYR 87 -9.068 -4.373 -1.254 657 HD2 TYR 87 2HD TYR 87 -9.967 -8.423 -2.373 658 HE1 TYR 87 1HE TYR 87 -11.495 -3.879 -1.089 659 HE2 TYR 87 2HE TYR 87 -12.394 -7.928 -2.207 660 HH TYR 87 HH TYR 87 -13.931 -6.367 -1.858 661 H ILE 88 HN ILE 88 -6.484 -9.297 0.012 662 HA ILE 88 HA ILE 88 -3.677 -8.717 -0.680 663 HB ILE 88 HB ILE 88 -4.501 -11.151 0.851 664 HG12 ILE 88 2HG1 ILE 88 -4.270 -8.337 1.954 665 HG13 ILE 88 1HG1 ILE 88 -5.677 -9.398 2.036 666 HG21 ILE 88 1HG2 ILE 88 -2.289 -11.170 1.510 667 HG22 ILE 88 2HG2 ILE 88 -2.154 -9.412 1.483 668 HG23 ILE 88 3HG2 ILE 88 -2.107 -10.325 -0.027 669 HD11 ILE 88 1HD1 ILE 88 -4.823 -9.917 4.092 670 HD12 ILE 88 2HD1 ILE 88 -3.186 -9.435 3.641 671 HD13 ILE 88 3HD1 ILE 88 -3.807 -11.011 3.153 672 H ILE 89 HN ILE 89 -2.956 -9.555 -2.512 673 HA ILE 89 HA ILE 89 -4.253 -11.994 -3.544 674 HB ILE 89 HB ILE 89 -2.935 -10.361 -5.565 675 HG12 ILE 89 2HG1 ILE 89 -3.736 -8.519 -4.084 676 HG13 ILE 89 1HG1 ILE 89 -4.563 -8.547 -5.636 677 HG21 ILE 89 1HG2 ILE 89 -5.182 -10.657 -6.666 678 HG22 ILE 89 2HG2 ILE 89 -5.722 -11.505 -5.225 679 HG23 ILE 89 3HG2 ILE 89 -4.403 -12.166 -6.193 680 HD11 ILE 89 1HD1 ILE 89 -5.939 -10.239 -3.732 681 HD12 ILE 89 2HD1 ILE 89 -6.550 -8.866 -4.649 682 HD13 ILE 89 3HD1 ILE 89 -5.751 -8.607 -3.100 683 H ARG 90 HN ARG 90 -2.916 -13.445 -4.669 684 HA ARG 90 HA ARG 90 -0.095 -13.313 -3.853 685 HB2 ARG 90 2HB ARG 90 -0.885 -15.763 -5.196 686 HB3 ARG 90 1HB ARG 90 -0.224 -15.539 -3.576 687 HG2 ARG 90 2HG ARG 90 -2.500 -14.852 -2.797 688 HG3 ARG 90 1HG ARG 90 -3.125 -15.241 -4.400 689 HD2 ARG 90 2HD ARG 90 -1.690 -17.191 -2.579 690 HD3 ARG 90 1HD ARG 90 -3.436 -17.112 -2.793 691 HE ARG 90 HE ARG 90 -2.171 -17.393 -5.319 692 HH11 ARG 90 1HH1 ARG 90 -2.229 -19.433 -6.317 693 HH12 ARG 90 2HH1 ARG 90 -2.558 -20.845 -5.368 694 HH21 ARG 90 1HH2 ARG 90 -2.884 -19.097 -2.393 695 HH22 ARG 90 2HH2 ARG 90 -2.929 -20.655 -3.148 696 H SER 91 HN SER 91 0.985 -12.123 -5.346 697 HA SER 91 HA SER 91 0.529 -11.647 -7.963 698 HB2 SER 91 2HB SER 91 2.455 -10.749 -6.667 699 HB3 SER 91 1HB SER 91 3.258 -12.308 -6.835 700 HG SER 91 HG SER 91 3.578 -10.453 -8.463 701 H HIS 92 HN HIS 92 1.565 -12.528 -9.925 702 HA HIS 92 HA HIS 92 0.988 -15.340 -10.149 703 HB2 HIS 92 2HB HIS 92 2.298 -13.528 -12.187 704 HB3 HIS 92 1HB HIS 92 1.513 -15.076 -12.494 705 HD1 HIS 92 1HD HIS 92 0.117 -12.404 -10.209 706 HD2 HIS 92 2HD HIS 92 -0.682 -14.083 -13.940 707 HE1 HIS 92 1HE HIS 92 -2.131 -11.494 -10.937 708 H VAL 93 HN VAL 93 3.599 -13.649 -9.009 709 HA VAL 93 HA VAL 93 5.522 -15.747 -9.822 710 HB VAL 93 HB VAL 93 5.998 -12.903 -8.902 711 HG11 VAL 93 1HG1 VAL 93 8.403 -13.604 -9.646 712 HG12 VAL 93 2HG1 VAL 93 7.829 -15.247 -9.366 713 HG13 VAL 93 3HG1 VAL 93 7.839 -14.079 -8.044 714 HG21 VAL 93 1HG2 VAL 93 6.481 -12.403 -11.118 715 HG22 VAL 93 2HG2 VAL 93 5.220 -13.613 -11.345 716 HG23 VAL 93 3HG2 VAL 93 6.916 -14.066 -11.507 717 H LYS 94 HN LYS 94 7.075 -16.416 -8.188 718 HA LYS 94 HA LYS 94 5.779 -16.904 -5.659 719 HB2 LYS 94 2HB LYS 94 7.363 -18.468 -7.015 720 HB3 LYS 94 1HB LYS 94 8.653 -17.559 -6.225 721 HG2 LYS 94 2HG LYS 94 7.324 -18.026 -4.034 722 HG3 LYS 94 1HG LYS 94 6.530 -19.289 -4.973 723 HD2 LYS 94 2HD LYS 94 8.925 -20.034 -5.619 724 HD3 LYS 94 1HD LYS 94 9.449 -19.037 -4.260 725 HE2 LYS 94 2HE LYS 94 9.131 -21.035 -3.150 726 HE3 LYS 94 1HE LYS 94 7.503 -20.371 -3.011 727 HZ1 LYS 94 1HZ LYS 94 6.913 -21.577 -5.047 728 HZ2 LYS 94 2HZ LYS 94 7.399 -22.624 -3.801 729 HZ3 LYS 94 3HZ LYS 94 8.458 -22.273 -5.081 730 H ASP 95 HN ASP 95 6.573 -16.341 -3.609 731 HA ASP 95 HA ASP 95 7.425 -14.920 -2.017 732 HB2 ASP 95 2HB ASP 95 9.572 -14.149 -3.979 733 HB3 ASP 95 1HB ASP 95 9.669 -14.248 -2.221 734 H HIS 96 HN HIS 96 5.589 -13.953 -4.218 735 HA HIS 96 HA HIS 96 6.019 -11.076 -3.734 736 HB2 HIS 96 2HB HIS 96 5.546 -12.446 -6.369 737 HB3 HIS 96 1HB HIS 96 5.087 -10.761 -6.119 738 HD1 HIS 96 1HD HIS 96 8.112 -13.027 -6.137 739 HD2 HIS 96 2HD HIS 96 7.242 -8.952 -6.042 740 HE1 HIS 96 1HE HIS 96 10.307 -11.816 -6.502 741 H TYR 97 HN TYR 97 4.197 -9.927 -3.281 742 HA TYR 97 HA TYR 97 1.579 -11.187 -3.715 743 HB2 TYR 97 2HB TYR 97 2.827 -10.591 -1.095 744 HB3 TYR 97 1HB TYR 97 1.131 -10.142 -1.278 745 HD1 TYR 97 1HD TYR 97 3.536 -12.933 -1.724 746 HD2 TYR 97 2HD TYR 97 -0.569 -11.793 -1.221 747 HE1 TYR 97 1HE TYR 97 2.904 -15.324 -1.461 748 HE2 TYR 97 2HE TYR 97 -1.208 -14.172 -0.958 749 HH TYR 97 HH TYR 97 -0.452 -16.263 -0.729 750 H ILE 98 HN ILE 98 -0.035 -9.790 -4.170 751 HA ILE 98 HA ILE 98 0.695 -6.974 -4.496 752 HB ILE 98 HB ILE 98 -1.844 -8.316 -5.412 753 HG12 ILE 98 2HG1 ILE 98 -0.063 -9.683 -6.302 754 HG13 ILE 98 1HG1 ILE 98 -0.643 -8.653 -7.605 755 HG21 ILE 98 1HG2 ILE 98 -1.899 -6.518 -7.021 756 HG22 ILE 98 2HG2 ILE 98 -0.282 -5.990 -6.551 757 HG23 ILE 98 3HG2 ILE 98 -1.630 -5.816 -5.424 758 HD11 ILE 98 1HD1 ILE 98 1.672 -8.390 -7.788 759 HD12 ILE 98 2HD1 ILE 98 1.913 -8.483 -6.044 760 HD13 ILE 98 3HD1 ILE 98 1.247 -7.016 -6.766 761 H PHE 99 HN PHE 99 -0.130 -5.437 -3.181 762 HA PHE 99 HA PHE 99 -2.325 -6.258 -1.390 763 HB2 PHE 99 2HB PHE 99 -0.139 -5.917 -0.242 764 HB3 PHE 99 1HB PHE 99 -0.120 -4.259 -0.838 765 HD1 PHE 99 1HD PHE 99 -1.342 -6.501 1.688 766 HD2 PHE 99 2HD PHE 99 -2.082 -2.722 -0.217 767 HE1 PHE 99 1HE PHE 99 -2.765 -5.817 3.598 768 HE2 PHE 99 2HE PHE 99 -3.488 -2.031 1.693 769 HZ PHE 99 HZ PHE 99 -3.837 -3.573 3.603 770 H TYR 100 HN TYR 100 -4.123 -5.024 -1.448 771 HA TYR 100 HA TYR 100 -3.936 -2.341 -2.664 772 HB2 TYR 100 2HB TYR 100 -4.649 -3.697 -4.506 773 HB3 TYR 100 1HB TYR 100 -5.786 -4.583 -3.495 774 HD1 TYR 100 1HD TYR 100 -5.024 -1.159 -4.768 775 HD2 TYR 100 2HD TYR 100 -8.013 -3.842 -3.275 776 HE1 TYR 100 1HE TYR 100 -6.780 0.498 -5.314 777 HE2 TYR 100 2HE TYR 100 -9.772 -2.186 -3.809 778 HH TYR 100 HH TYR 100 -10.041 0.142 -4.206 779 H SER 101 HN SER 101 -5.817 -1.006 -2.145 780 HA SER 101 HA SER 101 -7.756 -1.919 -0.273 781 HB2 SER 101 2HB SER 101 -7.030 -0.792 1.724 782 HB3 SER 101 1HB SER 101 -5.725 -1.843 1.185 783 HG SER 101 HG SER 101 -4.831 0.135 1.607 784 H GLU 102 HN GLU 102 -9.134 -0.251 0.545 785 HA GLU 102 HA GLU 102 -8.995 2.280 -0.960 786 HB2 GLU 102 2HB GLU 102 -11.714 1.264 -0.587 787 HB3 GLU 102 1HB GLU 102 -10.952 1.944 -2.026 788 HG2 GLU 102 2HG GLU 102 -9.753 -0.230 -2.351 789 HG3 GLU 102 1HG GLU 102 -10.676 -0.896 -1.005 790 H GLY 103 HN GLY 103 -10.023 4.018 0.020 791 HA2 GLY 103 2HA GLY 103 -11.396 3.789 2.532 792 HA3 GLY 103 1HA GLY 103 -9.766 4.420 2.703 793 H GLU 104 HN GLU 104 -10.771 6.375 3.480 794 HA GLU 104 HA GLU 104 -11.528 8.168 1.270 795 HB2 GLU 104 2HB GLU 104 -13.143 7.458 3.664 796 HB3 GLU 104 1HB GLU 104 -13.106 9.161 3.214 797 HG2 GLU 104 2HG GLU 104 -14.986 8.081 2.107 798 HG3 GLU 104 1HG GLU 104 -13.789 8.528 0.896 799 H LEU 105 HN LEU 105 -10.728 10.221 1.441 800 HA LEU 105 HA LEU 105 -9.275 10.901 3.924 801 HB2 LEU 105 2HB LEU 105 -7.969 10.390 1.649 802 HB3 LEU 105 1HB LEU 105 -8.416 12.057 1.302 803 HG LEU 105 HG LEU 105 -7.497 12.312 3.867 804 HD11 LEU 105 1HD1 LEU 105 -6.799 9.952 3.971 805 HD12 LEU 105 2HD1 LEU 105 -5.389 11.014 3.994 806 HD13 LEU 105 3HD1 LEU 105 -5.831 10.166 2.511 807 HD21 LEU 105 1HD2 LEU 105 -5.382 13.124 2.814 808 HD22 LEU 105 2HD2 LEU 105 -6.830 13.726 1.997 809 HD23 LEU 105 3HD2 LEU 105 -5.909 12.402 1.290 810 H HIS 106 HN HIS 106 -10.646 12.298 4.881 811 HA HIS 106 HA HIS 106 -11.917 14.174 5.220 812 HB2 HIS 106 2HB HIS 106 -10.551 15.342 2.798 813 HB3 HIS 106 1HB HIS 106 -11.181 16.193 4.209 814 HD1 HIS 106 1HD HIS 106 -9.949 14.198 6.345 815 HD2 HIS 106 2HD HIS 106 -7.842 16.003 3.234 816 HE1 HIS 106 1HE HIS 106 -7.515 14.205 7.040 817 H GLY 107 HN GLY 107 -13.131 12.133 3.802 818 HA2 GLY 107 2HA GLY 107 -15.148 11.836 2.709 819 HA3 GLY 107 1HA GLY 107 -15.236 13.580 2.484 820 H LYS 108 HN LYS 108 -12.376 11.894 1.472 821 HA LYS 108 HA LYS 108 -13.231 12.115 -1.342 822 HB2 LYS 108 2HB LYS 108 -11.408 13.735 -0.260 823 HB3 LYS 108 1HB LYS 108 -10.361 12.365 -0.622 824 HG2 LYS 108 2HG LYS 108 -10.302 13.674 -2.587 825 HG3 LYS 108 1HG LYS 108 -11.429 12.372 -2.950 826 HD2 LYS 108 2HD LYS 108 -12.953 13.942 -3.485 827 HD3 LYS 108 1HD LYS 108 -13.003 14.394 -1.783 828 HE2 LYS 108 2HE LYS 108 -12.491 16.393 -3.009 829 HE3 LYS 108 1HE LYS 108 -10.994 15.881 -2.230 830 HZ1 LYS 108 1HZ LYS 108 -11.723 15.141 -5.006 831 HZ2 LYS 108 2HZ LYS 108 -10.218 14.943 -4.243 832 HZ3 LYS 108 3HZ LYS 108 -10.783 16.500 -4.623 833 HA PRO 109 HA PRO 109 -12.467 7.602 -0.794 834 HB2 PRO 109 2HB PRO 109 -12.809 7.825 -3.761 835 HB3 PRO 109 1HB PRO 109 -13.495 6.637 -2.633 836 HG2 PRO 109 2HG PRO 109 -14.966 8.625 -3.600 837 HG3 PRO 109 1HG PRO 109 -15.153 8.063 -1.929 838 HD2 PRO 109 2HD PRO 109 -13.900 10.568 -2.941 839 HD3 PRO 109 1HD PRO 109 -14.712 10.258 -1.390 840 H VAL 110 HN VAL 110 -10.541 6.512 -0.881 841 HA VAL 110 HA VAL 110 -8.546 7.292 -2.890 842 HB VAL 110 HB VAL 110 -7.748 8.671 -1.205 843 HG11 VAL 110 1HG1 VAL 110 -9.310 8.255 0.532 844 HG12 VAL 110 2HG1 VAL 110 -7.742 7.855 1.232 845 HG13 VAL 110 3HG1 VAL 110 -8.815 6.569 0.681 846 HG21 VAL 110 1HG2 VAL 110 -5.742 7.713 -0.453 847 HG22 VAL 110 2HG2 VAL 110 -6.146 6.709 -1.841 848 HG23 VAL 110 3HG2 VAL 110 -6.481 6.131 -0.206 849 H ARG 111 HN ARG 111 -7.137 5.663 -3.461 850 HA ARG 111 HA ARG 111 -7.041 3.170 -1.967 851 HB2 ARG 111 2HB ARG 111 -7.909 1.783 -3.744 852 HB3 ARG 111 1HB ARG 111 -9.117 3.012 -3.373 853 HG2 ARG 111 2HG ARG 111 -7.708 4.343 -5.251 854 HG3 ARG 111 1HG ARG 111 -7.430 2.691 -5.804 855 HD2 ARG 111 2HD ARG 111 -9.867 2.289 -5.812 856 HD3 ARG 111 1HD ARG 111 -10.142 3.940 -5.266 857 HE ARG 111 HE ARG 111 -8.754 4.406 -7.488 858 HH11 ARG 111 1HH1 ARG 111 -9.533 4.427 -9.612 859 HH12 ARG 111 2HH1 ARG 111 -10.892 3.446 -10.044 860 HH21 ARG 111 1HH2 ARG 111 -11.297 2.127 -6.866 861 HH22 ARG 111 2HH2 ARG 111 -11.887 2.146 -8.493 862 H GLY 112 HN GLY 112 -5.298 1.804 -2.637 863 HA2 GLY 112 2HA GLY 112 -3.654 2.643 -4.894 864 HA3 GLY 112 1HA GLY 112 -2.919 2.835 -3.310 865 H VAL 113 HN VAL 113 -1.848 1.196 -5.279 866 HA VAL 113 HA VAL 113 -2.296 -1.509 -4.168 867 HB VAL 113 HB VAL 113 -1.136 -0.946 -6.899 868 HG11 VAL 113 1HG1 VAL 113 -1.357 -3.217 -7.247 869 HG12 VAL 113 2HG1 VAL 113 -2.711 -3.353 -6.116 870 HG13 VAL 113 3HG1 VAL 113 -1.069 -3.187 -5.500 871 HG21 VAL 113 1HG2 VAL 113 -3.182 -0.848 -7.912 872 HG22 VAL 113 2HG2 VAL 113 -3.674 -0.145 -6.376 873 HG23 VAL 113 3HG2 VAL 113 -3.958 -1.854 -6.697 874 H LYS 114 HN LYS 114 -0.494 -2.615 -3.467 875 HA LYS 114 HA LYS 114 2.139 -1.370 -3.955 876 HB2 LYS 114 2HB LYS 114 1.986 -2.678 -1.386 877 HB3 LYS 114 1HB LYS 114 2.450 -1.017 -1.772 878 HG2 LYS 114 2HG LYS 114 0.062 -0.393 -1.936 879 HG3 LYS 114 1HG LYS 114 -0.387 -2.042 -1.520 880 HD2 LYS 114 2HD LYS 114 0.093 -1.763 0.679 881 HD3 LYS 114 1HD LYS 114 1.498 -0.762 0.333 882 HE2 LYS 114 2HE LYS 114 0.190 1.189 0.041 883 HE3 LYS 114 1HE LYS 114 -1.297 0.257 -0.135 884 HZ1 LYS 114 1HZ LYS 114 -0.116 -0.367 2.336 885 HZ2 LYS 114 2HZ LYS 114 -1.612 0.383 2.039 886 HZ3 LYS 114 3HZ LYS 114 -0.205 1.321 2.202 887 H LEU 115 HN LEU 115 3.818 -2.751 -4.345 888 HA LEU 115 HA LEU 115 3.167 -5.611 -4.587 889 HB2 LEU 115 2HB LEU 115 4.024 -4.639 -6.649 890 HB3 LEU 115 1HB LEU 115 5.374 -3.907 -5.800 891 HG LEU 115 HG LEU 115 6.333 -6.085 -5.333 892 HD11 LEU 115 1HD1 LEU 115 5.098 -8.091 -6.463 893 HD12 LEU 115 2HD1 LEU 115 3.684 -7.044 -6.372 894 HD13 LEU 115 3HD1 LEU 115 4.525 -7.518 -4.896 895 HD21 LEU 115 1HD2 LEU 115 6.567 -6.969 -7.710 896 HD22 LEU 115 2HD2 LEU 115 6.929 -5.251 -7.509 897 HD23 LEU 115 3HD2 LEU 115 5.382 -5.751 -8.190 898 H VAL 116 HN VAL 116 3.937 -6.928 -3.071 899 HA VAL 116 HA VAL 116 6.376 -6.106 -1.659 900 HB VAL 116 HB VAL 116 5.484 -6.444 0.408 901 HG11 VAL 116 1HG1 VAL 116 3.312 -5.427 0.514 902 HG12 VAL 116 2HG1 VAL 116 2.897 -6.001 -1.103 903 HG13 VAL 116 3HG1 VAL 116 4.111 -4.737 -0.899 904 HG21 VAL 116 1HG2 VAL 116 3.387 -7.919 0.706 905 HG22 VAL 116 2HG2 VAL 116 4.883 -8.750 0.287 906 HG23 VAL 116 3HG2 VAL 116 3.666 -8.441 -0.952 907 H GLY 117 HN GLY 117 7.855 -7.647 -1.211 908 HA2 GLY 117 2HA GLY 117 7.193 -10.445 -1.740 909 HA3 GLY 117 1HA GLY 117 8.446 -9.712 -2.738 910 H ARG 118 HN ARG 118 8.839 -11.921 -0.998 911 HA ARG 118 HA ARG 118 10.223 -10.904 1.359 912 HB2 ARG 118 2HB ARG 118 8.857 -13.204 0.930 913 HB3 ARG 118 1HB ARG 118 10.496 -13.747 0.574 914 HG2 ARG 118 2HG ARG 118 11.262 -12.860 2.752 915 HG3 ARG 118 1HG ARG 118 9.617 -12.331 3.111 916 HD2 ARG 118 2HD ARG 118 8.848 -14.482 3.447 917 HD3 ARG 118 1HD ARG 118 10.024 -15.189 2.344 918 HE ARG 118 HE ARG 118 11.122 -14.061 4.794 919 HH11 ARG 118 1HH1 ARG 118 12.173 -15.562 6.133 920 HH12 ARG 118 2HH1 ARG 118 11.991 -17.258 5.834 921 HH21 ARG 118 1HH2 ARG 118 9.909 -16.822 3.094 922 HH22 ARG 118 2HH2 ARG 118 10.711 -17.971 4.113 923 H ASP 119 HN ASP 119 10.876 -11.606 -1.896 924 HA ASP 119 HA ASP 119 13.770 -11.883 -1.386 925 HB2 ASP 119 2HB ASP 119 13.895 -12.733 -3.696 926 HB3 ASP 119 1HB ASP 119 12.803 -13.693 -2.699 927 HA PRO 120 HA PRO 120 13.539 -7.424 -2.570 928 HB2 PRO 120 2HB PRO 120 16.491 -7.898 -2.412 929 HB3 PRO 120 1HB PRO 120 15.530 -6.543 -1.787 930 HG2 PRO 120 2HG PRO 120 16.439 -8.458 -0.179 931 HG3 PRO 120 1HG PRO 120 14.856 -7.703 0.076 932 HD2 PRO 120 2HD PRO 120 15.501 -10.421 -0.943 933 HD3 PRO 120 1HD PRO 120 14.055 -9.856 -0.074 934 H LYS 121 HN LYS 121 15.528 -9.991 -3.943 935 HA LYS 121 HA LYS 121 16.540 -8.887 -6.233 936 HB2 LYS 121 2HB LYS 121 16.829 -11.263 -5.561 937 HB3 LYS 121 1HB LYS 121 15.172 -11.584 -6.074 938 HG2 LYS 121 2HG LYS 121 15.843 -11.807 -8.208 939 HG3 LYS 121 1HG LYS 121 16.546 -10.190 -8.179 940 HD2 LYS 121 2HD LYS 121 18.287 -11.822 -8.704 941 HD3 LYS 121 1HD LYS 121 18.589 -11.136 -7.107 942 HE2 LYS 121 2HE LYS 121 16.863 -13.389 -6.781 943 HE3 LYS 121 1HE LYS 121 18.214 -13.883 -7.802 944 HZ1 LYS 121 1HZ LYS 121 18.185 -13.258 -5.018 945 HZ2 LYS 121 2HZ LYS 121 19.355 -12.352 -5.851 946 HZ3 LYS 121 3HZ LYS 121 19.374 -14.048 -5.932 947 H ASN 122 HN ASN 122 15.241 -7.238 -7.046 948 HA ASN 122 HA ASN 122 12.599 -7.101 -7.596 949 HB2 ASN 122 2HB ASN 122 13.846 -6.166 -9.960 950 HB3 ASN 122 1HB ASN 122 13.320 -5.222 -8.567 951 HD21 ASN 122 1HD2 ASN 122 14.932 -4.508 -7.063 952 HD22 ASN 122 2HD2 ASN 122 16.592 -4.753 -7.319 953 H ASN 123 HN ASN 123 11.146 -8.179 -8.749 954 HA ASN 123 HA ASN 123 12.095 -10.058 -10.829 955 HB2 ASN 123 2HB ASN 123 10.164 -10.329 -8.629 956 HB3 ASN 123 1HB ASN 123 9.565 -10.897 -10.187 957 HD21 ASN 123 1HD2 ASN 123 10.095 -13.040 -10.628 958 HD22 ASN 123 2HD2 ASN 123 11.440 -13.859 -9.995 959 H LEU 124 HN LEU 124 11.850 -8.953 -12.687 960 HA LEU 124 HA LEU 124 10.011 -6.961 -13.260 961 HB2 LEU 124 2HB LEU 124 10.390 -8.305 -15.695 962 HB3 LEU 124 1HB LEU 124 11.292 -6.916 -15.100 963 HG LEU 124 HG LEU 124 12.881 -8.446 -13.963 964 HD11 LEU 124 1HD1 LEU 124 12.471 -10.898 -15.189 965 HD12 LEU 124 2HD1 LEU 124 10.836 -10.400 -14.758 966 HD13 LEU 124 3HD1 LEU 124 12.077 -10.527 -13.511 967 HD21 LEU 124 1HD2 LEU 124 12.393 -8.849 -16.921 968 HD22 LEU 124 2HD2 LEU 124 13.829 -9.456 -16.099 969 HD23 LEU 124 3HD2 LEU 124 13.513 -7.721 -16.157 970 H GLU 125 HN GLU 125 9.612 -10.411 -13.234 971 HA GLU 125 HA GLU 125 7.186 -10.479 -14.734 972 HB2 GLU 125 2HB GLU 125 8.565 -12.372 -12.846 973 HB3 GLU 125 1HB GLU 125 6.937 -12.719 -13.435 974 HG2 GLU 125 2HG GLU 125 7.738 -12.538 -15.762 975 HG3 GLU 125 1HG GLU 125 9.363 -12.188 -15.175 976 H ALA 126 HN ALA 126 8.031 -10.138 -11.351 977 HA ALA 126 HA ALA 126 5.369 -10.281 -10.345 978 HB1 ALA 126 1HB ALA 126 7.547 -10.579 -9.026 979 HB2 ALA 126 2HB ALA 126 6.290 -9.608 -8.262 980 HB3 ALA 126 3HB ALA 126 7.664 -8.819 -9.036 981 H LEU 127 HN LEU 127 7.511 -7.659 -11.415 982 HA LEU 127 HA LEU 127 5.836 -5.540 -10.600 983 HB2 LEU 127 2HB LEU 127 8.229 -5.883 -12.220 984 HB3 LEU 127 1HB LEU 127 7.154 -4.659 -12.892 985 HG LEU 127 HG LEU 127 7.932 -4.717 -9.968 986 HD11 LEU 127 1HD1 LEU 127 9.610 -3.023 -10.490 987 HD12 LEU 127 2HD1 LEU 127 9.187 -3.093 -12.201 988 HD13 LEU 127 3HD1 LEU 127 9.946 -4.483 -11.422 989 HD21 LEU 127 1HD2 LEU 127 6.640 -2.863 -9.800 990 HD22 LEU 127 2HD2 LEU 127 5.972 -3.326 -11.365 991 HD23 LEU 127 3HD2 LEU 127 7.305 -2.174 -11.281 992 H GLU 128 HN GLU 128 5.950 -7.528 -13.521 993 HA GLU 128 HA GLU 128 4.085 -5.982 -15.001 994 HB2 GLU 128 2HB GLU 128 5.682 -7.972 -15.711 995 HB3 GLU 128 1HB GLU 128 4.264 -8.949 -15.334 996 HG2 GLU 128 2HG GLU 128 4.302 -6.591 -17.242 997 HG3 GLU 128 1HG GLU 128 4.307 -8.287 -17.720 998 H ASP 129 HN ASP 129 3.830 -8.778 -12.873 999 HA ASP 129 HA ASP 129 1.062 -9.199 -13.127 1000 HB2 ASP 129 2HB ASP 129 2.686 -9.656 -10.621 1001 HB3 ASP 129 1HB ASP 129 1.237 -10.521 -11.137 1002 H PHE 130 HN PHE 130 2.940 -7.197 -10.877 1003 HA PHE 130 HA PHE 130 0.696 -6.245 -9.428 1004 HB2 PHE 130 2HB PHE 130 2.831 -5.981 -8.428 1005 HB3 PHE 130 1HB PHE 130 3.505 -5.241 -9.879 1006 HD1 PHE 130 1HD PHE 130 1.672 -4.713 -6.815 1007 HD2 PHE 130 2HD PHE 130 2.735 -2.943 -10.574 1008 HE1 PHE 130 1HE PHE 130 1.078 -2.497 -5.939 1009 HE2 PHE 130 2HE PHE 130 2.121 -0.708 -9.688 1010 HZ PHE 130 HZ PHE 130 1.288 -0.479 -7.367 1011 H GLU 131 HN GLU 131 2.590 -5.005 -12.143 1012 HA GLU 131 HA GLU 131 1.159 -2.624 -12.554 1013 HB2 GLU 131 2HB GLU 131 3.350 -3.131 -13.629 1014 HB3 GLU 131 1HB GLU 131 2.539 -4.319 -14.646 1015 HG2 GLU 131 2HG GLU 131 1.151 -1.767 -14.714 1016 HG3 GLU 131 1HG GLU 131 2.835 -1.597 -15.204 1017 H LYS 132 HN LYS 132 0.274 -5.870 -12.934 1018 HA LYS 132 HA LYS 132 -1.732 -5.348 -14.976 1019 HB2 LYS 132 2HB LYS 132 -0.433 -7.647 -14.211 1020 HB3 LYS 132 1HB LYS 132 -1.958 -7.800 -13.340 1021 HG2 LYS 132 2HG LYS 132 -2.476 -8.792 -15.390 1022 HG3 LYS 132 1HG LYS 132 -3.033 -7.140 -15.644 1023 HD2 LYS 132 2HD LYS 132 -0.900 -6.583 -16.754 1024 HD3 LYS 132 1HD LYS 132 -0.329 -8.227 -16.480 1025 HE2 LYS 132 2HE LYS 132 -1.167 -8.150 -18.733 1026 HE3 LYS 132 1HE LYS 132 -2.353 -9.037 -17.776 1027 HZ1 LYS 132 1HZ LYS 132 -3.847 -7.567 -18.451 1028 HZ2 LYS 132 2HZ LYS 132 -2.664 -6.606 -19.200 1029 HZ3 LYS 132 3HZ LYS 132 -3.037 -6.374 -17.558 1030 H ALA 133 HN ALA 133 -1.413 -5.921 -11.526 1031 HA ALA 133 HA ALA 133 -4.152 -5.775 -10.868 1032 HB1 ALA 133 1HB ALA 133 -2.259 -6.505 -9.336 1033 HB2 ALA 133 2HB ALA 133 -3.448 -5.430 -8.602 1034 HB3 ALA 133 3HB ALA 133 -1.887 -4.796 -9.121 1035 H ALA 134 HN ALA 134 -1.649 -3.241 -10.873 1036 HA ALA 134 HA ALA 134 -3.296 -1.115 -10.185 1037 HB1 ALA 134 1HB ALA 134 -1.238 -0.191 -10.296 1038 HB2 ALA 134 2HB ALA 134 -1.484 -0.092 -12.039 1039 HB3 ALA 134 3HB ALA 134 -0.652 -1.481 -11.345 1040 H GLY 135 HN GLY 135 -2.471 -2.514 -13.334 1041 HA2 GLY 135 2HA GLY 135 -3.991 -0.761 -14.886 1042 HA3 GLY 135 1HA GLY 135 -3.640 -2.433 -15.329 1043 H ALA 136 HN ALA 136 -4.848 -3.910 -13.515 1044 HA ALA 136 HA ALA 136 -7.535 -3.967 -14.252 1045 HB1 ALA 136 1HB ALA 136 -6.338 -5.924 -13.369 1046 HB2 ALA 136 2HB ALA 136 -7.812 -5.617 -12.448 1047 HB3 ALA 136 3HB ALA 136 -6.243 -5.151 -11.787 1048 H ARG 137 HN ARG 137 -5.959 -1.961 -11.956 1049 HA ARG 137 HA ARG 137 -8.557 -1.259 -10.738 1050 HB2 ARG 137 2HB ARG 137 -5.740 -0.907 -9.680 1051 HB3 ARG 137 1HB ARG 137 -7.192 -0.305 -8.883 1052 HG2 ARG 137 2HG ARG 137 -6.653 -3.219 -9.544 1053 HG3 ARG 137 1HG ARG 137 -6.452 -2.493 -7.950 1054 HD2 ARG 137 2HD ARG 137 -8.600 -3.250 -7.685 1055 HD3 ARG 137 1HD ARG 137 -8.977 -1.715 -8.453 1056 HE ARG 137 HE ARG 137 -9.539 -2.866 -10.419 1057 HH11 ARG 137 1HH1 ARG 137 -10.155 -4.779 -11.473 1058 HH12 ARG 137 2HH1 ARG 137 -9.756 -6.313 -10.777 1059 HH21 ARG 137 1HH2 ARG 137 -8.149 -4.952 -8.025 1060 HH22 ARG 137 2HH2 ARG 137 -8.622 -6.410 -8.829 1061 H GLY 138 HN GLY 138 -6.514 -0.382 -13.115 1062 HA2 GLY 138 2HA GLY 138 -6.365 1.541 -14.391 1063 HA3 GLY 138 1HA GLY 138 -7.618 2.241 -13.372 1064 H LEU 139 HN LEU 139 -4.494 1.005 -12.310 1065 HA LEU 139 HA LEU 139 -3.692 3.748 -11.564 1066 HB2 LEU 139 2HB LEU 139 -3.080 1.230 -10.004 1067 HB3 LEU 139 1HB LEU 139 -2.760 2.889 -9.509 1068 HG LEU 139 HG LEU 139 -5.524 1.749 -10.031 1069 HD11 LEU 139 1HD1 LEU 139 -5.491 2.312 -7.393 1070 HD12 LEU 139 2HD1 LEU 139 -3.802 1.860 -7.616 1071 HD13 LEU 139 3HD1 LEU 139 -5.082 0.722 -8.039 1072 HD21 LEU 139 1HD2 LEU 139 -5.808 3.970 -8.451 1073 HD22 LEU 139 2HD2 LEU 139 -5.986 3.971 -10.206 1074 HD23 LEU 139 3HD2 LEU 139 -4.456 4.450 -9.475 1075 H SER 140 HN SER 140 -3.085 1.727 -13.828 1076 HA SER 140 HA SER 140 -0.228 1.270 -13.475 1077 HB2 SER 140 2HB SER 140 -0.349 0.139 -15.620 1078 HB3 SER 140 1HB SER 140 -1.682 -0.406 -14.606 1079 HG SER 140 HG SER 140 -2.756 1.539 -15.743 1080 H THR 141 HN THR 141 -1.258 4.022 -13.545 1081 HA THR 141 HA THR 141 0.561 5.040 -15.588 1082 HB THR 141 HB THR 141 -1.815 4.868 -16.561 1083 HG1 THR 141 1HG THR 141 0.085 6.574 -16.862 1084 HG21 THR 141 1HG2 THR 141 -2.657 5.876 -14.250 1085 HG22 THR 141 2HG2 THR 141 -3.495 6.240 -15.759 1086 HG23 THR 141 3HG2 THR 141 -2.360 7.405 -15.078 1087 H GLU 142 HN GLU 142 -0.421 4.974 -12.515 1088 HA GLU 142 HA GLU 142 -0.611 7.688 -11.741 1089 HB2 GLU 142 2HB GLU 142 0.404 5.330 -10.140 1090 HB3 GLU 142 1HB GLU 142 -0.119 6.880 -9.491 1091 HG2 GLU 142 2HG GLU 142 -2.306 6.320 -10.903 1092 HG3 GLU 142 1HG GLU 142 -1.753 4.671 -10.632 1093 H SER 143 HN SER 143 1.634 7.006 -9.646 1094 HA SER 143 HA SER 143 3.730 8.357 -11.174 1095 HB2 SER 143 2HB SER 143 4.274 9.507 -9.315 1096 HB3 SER 143 1HB SER 143 2.671 9.034 -8.773 1097 HG SER 143 HG SER 143 3.823 7.054 -8.008 1098 H ILE 144 HN ILE 144 2.984 5.262 -9.982 1099 HA ILE 144 HA ILE 144 4.283 3.500 -9.278 1100 HB ILE 144 HB ILE 144 5.140 4.284 -12.029 1101 HG12 ILE 144 2HG1 ILE 144 2.774 3.414 -11.230 1102 HG13 ILE 144 1HG1 ILE 144 3.481 2.827 -12.736 1103 HG21 ILE 144 1HG2 ILE 144 6.011 1.946 -10.353 1104 HG22 ILE 144 2HG2 ILE 144 6.998 3.002 -11.363 1105 HG23 ILE 144 3HG2 ILE 144 5.931 1.817 -12.110 1106 HD11 ILE 144 1HD1 ILE 144 4.146 0.787 -11.768 1107 HD12 ILE 144 2HD1 ILE 144 2.551 1.080 -11.081 1108 HD13 ILE 144 3HD1 ILE 144 3.995 1.411 -10.123 1109 H LEU 145 HN LEU 145 5.560 3.753 -7.621 1110 HA LEU 145 HA LEU 145 8.308 4.669 -8.163 1111 HB2 LEU 145 2HB LEU 145 7.108 6.341 -6.840 1112 HB3 LEU 145 1HB LEU 145 6.652 5.111 -5.673 1113 HG LEU 145 HG LEU 145 9.271 4.744 -5.454 1114 HD11 LEU 145 1HD1 LEU 145 10.659 6.516 -6.020 1115 HD12 LEU 145 2HD1 LEU 145 9.316 7.660 -6.143 1116 HD13 LEU 145 3HD1 LEU 145 9.569 6.460 -7.408 1117 HD21 LEU 145 1HD2 LEU 145 7.791 5.567 -3.670 1118 HD22 LEU 145 2HD2 LEU 145 7.863 7.189 -4.355 1119 HD23 LEU 145 3HD2 LEU 145 9.317 6.451 -3.680 1120 H ILE 146 HN ILE 146 9.905 3.451 -7.422 1121 HA ILE 146 HA ILE 146 9.229 1.002 -5.904 1122 HB ILE 146 HB ILE 146 11.463 1.428 -7.912 1123 HG12 ILE 146 2HG1 ILE 146 9.109 -0.440 -8.185 1124 HG13 ILE 146 1HG1 ILE 146 9.021 1.227 -8.747 1125 HG21 ILE 146 1HG2 ILE 146 12.405 -0.298 -6.795 1126 HG22 ILE 146 2HG2 ILE 146 11.115 -1.293 -7.467 1127 HG23 ILE 146 3HG2 ILE 146 10.939 -0.594 -5.857 1128 HD11 ILE 146 1HD1 ILE 146 9.828 -0.688 -10.382 1129 HD12 ILE 146 2HD1 ILE 146 11.370 -0.447 -9.560 1130 HD13 ILE 146 3HD1 ILE 146 10.607 0.895 -10.413 1131 HA PRO 147 HA PRO 147 11.791 3.874 -3.289 1132 HB2 PRO 147 2HB PRO 147 10.793 1.954 -1.251 1133 HB3 PRO 147 1HB PRO 147 10.860 3.724 -1.204 1134 HG2 PRO 147 2HG PRO 147 8.597 2.384 -1.592 1135 HG3 PRO 147 1HG PRO 147 8.898 3.966 -2.314 1136 HD2 PRO 147 2HD PRO 147 8.831 1.295 -3.614 1137 HD3 PRO 147 1HD PRO 147 8.524 2.896 -4.304 1138 H ARG 148 HN ARG 148 13.711 3.523 -2.268 1139 HA ARG 148 HA ARG 148 15.118 1.128 -3.065 1140 HB2 ARG 148 2HB ARG 148 17.092 2.195 -2.295 1141 HB3 ARG 148 1HB ARG 148 16.109 3.473 -3.005 1142 HG2 ARG 148 2HG ARG 148 15.224 3.941 -0.668 1143 HG3 ARG 148 1HG ARG 148 16.463 2.843 -0.062 1144 HD2 ARG 148 2HD ARG 148 18.226 4.209 -0.937 1145 HD3 ARG 148 1HD ARG 148 17.089 5.218 -1.828 1146 HE ARG 148 HE ARG 148 16.646 6.376 0.139 1147 HH11 ARG 148 1HH1 ARG 148 17.010 6.848 2.331 1148 HH12 ARG 148 2HH1 ARG 148 17.863 5.714 3.325 1149 HH21 ARG 148 1HH2 ARG 148 18.331 3.420 0.769 1150 HH22 ARG 148 2HH2 ARG 148 18.611 3.775 2.442 1151 H GLN 149 HN GLN 149 15.848 -0.513 -1.791 1152 HA GLN 149 HA GLN 149 14.375 -1.177 0.525 1153 HB2 GLN 149 2HB GLN 149 16.585 -2.343 -1.031 1154 HB3 GLN 149 1HB GLN 149 16.606 -2.760 0.682 1155 HG2 GLN 149 2HG GLN 149 15.286 -4.402 -0.576 1156 HG3 GLN 149 1HG GLN 149 14.248 -3.501 0.525 1157 HE21 GLN 149 1HE2 GLN 149 12.351 -2.776 -0.440 1158 HE22 GLN 149 2HE2 GLN 149 12.155 -2.450 -2.095 1159 H SER 150 HN SER 150 14.506 0.227 2.203 1160 HA SER 150 HA SER 150 17.196 0.826 3.284 1161 HB2 SER 150 2HB SER 150 15.854 2.801 2.540 1162 HB3 SER 150 1HB SER 150 14.629 2.366 3.728 1163 HG SER 150 HG SER 150 16.155 2.659 5.347 1164 H GLU 151 HN GLU 151 17.306 -1.110 4.501 1165 HA GLU 151 HA GLU 151 15.519 -2.331 6.105 1166 HB2 GLU 151 2HB GLU 151 17.870 -3.032 5.847 1167 HB3 GLU 151 1HB GLU 151 18.371 -1.702 6.890 1168 HG2 GLU 151 2HG GLU 151 16.289 -3.620 7.885 1169 HG3 GLU 151 1HG GLU 151 17.983 -4.105 7.908 1170 H THR 152 HN THR 152 16.612 0.908 6.520 1171 HA THR 152 HA THR 152 14.903 1.195 8.853 1172 HB THR 152 HB THR 152 16.804 0.738 10.125 1173 HG1 THR 152 1HG THR 152 16.921 2.591 11.088 1174 HG21 THR 152 1HG2 THR 152 18.518 0.406 8.579 1175 HG22 THR 152 2HG2 THR 152 19.049 1.880 9.388 1176 HG23 THR 152 3HG2 THR 152 18.265 1.974 7.811 1177 H CYS 153 HN CYS 153 14.003 3.193 8.944 1178 HA CYS 153 HA CYS 153 13.794 4.844 6.830 1179 HB2 CYS 153 2HB CYS 153 12.671 4.893 9.220 1180 HB3 CYS 153 1HB CYS 153 13.895 6.125 9.530 1181 H SER 154 HN SER 154 14.633 6.877 6.302 1182 HA SER 154 HA SER 154 17.397 7.387 7.223 1183 HB2 SER 154 2HB SER 154 16.507 7.857 4.388 1184 HB3 SER 154 1HB SER 154 18.147 7.740 5.023 1185 HG SER 154 HG SER 154 16.603 5.534 5.528 1186 HA PRO 155 HA PRO 155 14.619 11.087 7.948 1187 HB2 PRO 155 2HB PRO 155 16.914 11.528 9.812 1188 HB3 PRO 155 1HB PRO 155 15.176 11.757 10.088 1189 HG2 PRO 155 2HG PRO 155 16.474 9.656 11.081 1190 HG3 PRO 155 1HG PRO 155 14.809 9.527 10.489 1191 HD2 PRO 155 2HD PRO 155 17.328 8.540 9.242 1192 HD3 PRO 155 1HD PRO 155 15.678 7.891 9.118 1193 H GLY 156 HN GLY 156 17.904 10.580 7.000 1194 HA2 GLY 156 2HA GLY 156 18.506 12.027 5.016 1195 HA3 GLY 156 1HA GLY 156 18.131 13.384 6.073 1196 H SER 157 HN SER 157 20.658 12.747 4.755 1197 HA SER 157 HA SER 157 22.397 12.116 7.050 1198 HB2 SER 157 2HB SER 157 23.044 12.271 4.097 1199 HB3 SER 157 1HB SER 157 24.171 11.818 5.371 1200 HG SER 157 HG SER 157 22.850 10.044 5.832 1201 H ASP 158 HN ASP 158 21.604 14.598 4.698 1202 HA ASP 158 HA ASP 158 22.627 16.685 6.332 1203 HB2 ASP 158 2HB ASP 158 24.308 17.344 4.361 1204 HB3 ASP 158 1HB ASP 158 24.813 16.359 5.734 Start of MODEL 7 1 H1 HIS 1 1HT HIS 1 -11.108 -22.399 -7.120 2 H2 HIS 1 2HT HIS 1 -12.662 -23.000 -6.785 3 H3 HIS 1 3HT HIS 1 -11.360 -24.073 -6.998 4 HA HIS 1 HA HIS 1 -12.222 -23.406 -4.615 5 HB2 HIS 1 2HB HIS 1 -10.175 -24.840 -5.522 6 HB3 HIS 1 1HB HIS 1 -9.249 -23.451 -4.952 7 HD1 HIS 1 1HD HIS 1 -11.563 -26.169 -3.724 8 HD2 HIS 1 2HD HIS 1 -9.123 -23.179 -2.146 9 HE1 HIS 1 1HE HIS 1 -11.445 -26.584 -1.229 10 H HIS 2 HN HIS 2 -11.041 -21.084 -6.701 11 HA HIS 2 HA HIS 2 -10.361 -18.897 -6.471 12 HB2 HIS 2 2HB HIS 2 -12.074 -19.196 -3.994 13 HB3 HIS 2 1HB HIS 2 -11.519 -17.655 -4.650 14 HD1 HIS 2 1HD HIS 2 -12.871 -16.657 -6.523 15 HD2 HIS 2 2HD HIS 2 -13.811 -20.668 -5.882 16 HE1 HIS 2 1HE HIS 2 -14.856 -17.173 -8.008 17 H LEU 3 HN LEU 3 -8.163 -19.009 -6.184 18 HA LEU 3 HA LEU 3 -6.967 -19.699 -3.663 19 HB2 LEU 3 2HB LEU 3 -5.971 -18.736 -6.315 20 HB3 LEU 3 1HB LEU 3 -4.905 -18.635 -4.912 21 HG LEU 3 HG LEU 3 -5.165 -21.020 -4.488 22 HD11 LEU 3 1HD1 LEU 3 -6.426 -22.345 -6.318 23 HD12 LEU 3 2HD1 LEU 3 -7.178 -20.803 -6.728 24 HD13 LEU 3 3HD1 LEU 3 -7.398 -21.491 -5.119 25 HD21 LEU 3 1HD2 LEU 3 -4.724 -20.877 -7.458 26 HD22 LEU 3 2HD2 LEU 3 -3.821 -21.781 -6.242 27 HD23 LEU 3 3HD2 LEU 3 -3.614 -20.034 -6.376 28 H LEU 4 HN LEU 4 -8.450 -16.921 -4.851 29 HA LEU 4 HA LEU 4 -7.025 -14.743 -4.047 30 HB2 LEU 4 2HB LEU 4 -9.202 -14.444 -4.994 31 HB3 LEU 4 1HB LEU 4 -9.970 -15.335 -3.684 32 HG LEU 4 HG LEU 4 -9.499 -13.585 -2.109 33 HD11 LEU 4 1HD1 LEU 4 -7.737 -12.522 -4.313 34 HD12 LEU 4 2HD1 LEU 4 -7.308 -12.859 -2.634 35 HD13 LEU 4 3HD1 LEU 4 -8.321 -11.468 -3.024 36 HD21 LEU 4 1HD2 LEU 4 -11.408 -13.237 -3.694 37 HD22 LEU 4 2HD2 LEU 4 -10.337 -12.260 -4.698 38 HD23 LEU 4 3HD2 LEU 4 -10.736 -11.732 -3.062 39 H ALA 5 HN ALA 5 -5.638 -15.207 -2.343 40 HA ALA 5 HA ALA 5 -4.950 -15.575 -0.171 41 HB1 ALA 5 1HB ALA 5 -6.557 -14.133 1.416 42 HB2 ALA 5 2HB ALA 5 -7.011 -13.452 -0.148 43 HB3 ALA 5 3HB ALA 5 -5.328 -13.407 0.380 44 H SER 6 HN SER 6 -5.236 -17.627 0.462 45 HA SER 6 HA SER 6 -7.620 -19.000 0.876 46 HB2 SER 6 2HB SER 6 -5.842 -20.433 0.958 47 HB3 SER 6 1HB SER 6 -4.810 -19.262 1.774 48 HG SER 6 HG SER 6 -5.553 -19.909 3.664 49 H ASP 7 HN ASP 7 -8.975 -19.288 2.644 50 HA ASP 7 HA ASP 7 -9.154 -17.108 4.489 51 HB2 ASP 7 2HB ASP 7 -11.260 -17.904 4.136 52 HB3 ASP 7 1HB ASP 7 -10.705 -19.556 3.877 53 H GLU 8 HN GLU 8 -8.878 -20.609 5.139 54 HA GLU 8 HA GLU 8 -8.305 -20.627 7.781 55 HB2 GLU 8 2HB GLU 8 -7.194 -22.287 5.536 56 HB3 GLU 8 1HB GLU 8 -6.662 -22.558 7.195 57 HG2 GLU 8 2HG GLU 8 -8.771 -23.234 7.909 58 HG3 GLU 8 1HG GLU 8 -9.598 -22.364 6.618 59 H GLU 9 HN GLU 9 -6.053 -19.763 5.196 60 HA GLU 9 HA GLU 9 -4.482 -18.130 6.914 61 HB2 GLU 9 2HB GLU 9 -2.454 -19.406 7.047 62 HB3 GLU 9 1HB GLU 9 -3.755 -20.438 7.642 63 HG2 GLU 9 2HG GLU 9 -3.859 -21.080 5.027 64 HG3 GLU 9 1HG GLU 9 -2.150 -20.662 5.148 65 H ILE 10 HN ILE 10 -2.057 -18.182 5.596 66 HA ILE 10 HA ILE 10 -2.641 -17.889 2.739 67 HB ILE 10 HB ILE 10 -1.144 -15.692 4.126 68 HG12 ILE 10 2HG1 ILE 10 -4.159 -15.915 3.854 69 HG13 ILE 10 1HG1 ILE 10 -3.250 -15.824 5.363 70 HG21 ILE 10 1HG2 ILE 10 -3.020 -15.532 1.776 71 HG22 ILE 10 2HG2 ILE 10 -1.369 -16.116 1.571 72 HG23 ILE 10 3HG2 ILE 10 -1.660 -14.483 2.172 73 HD11 ILE 10 1HD1 ILE 10 -2.302 -13.598 4.373 74 HD12 ILE 10 2HD1 ILE 10 -3.930 -13.600 5.052 75 HD13 ILE 10 3HD1 ILE 10 -3.704 -13.673 3.304 76 H GLN 11 HN GLN 11 -0.989 -18.597 1.506 77 HA GLN 11 HA GLN 11 1.093 -20.114 2.343 78 HB2 GLN 11 2HB GLN 11 0.342 -19.481 -0.068 79 HB3 GLN 11 1HB GLN 11 1.563 -18.214 0.064 80 HG2 GLN 11 2HG GLN 11 3.141 -20.114 0.859 81 HG3 GLN 11 1HG GLN 11 1.939 -21.202 0.168 82 HE21 GLN 11 1HE2 GLN 11 4.337 -18.718 -0.627 83 HE22 GLN 11 2HE2 GLN 11 4.322 -18.996 -2.301 84 H ASP 12 HN ASP 12 2.693 -19.769 3.733 85 HA ASP 12 HA ASP 12 4.359 -18.745 4.932 86 HB2 ASP 12 2HB ASP 12 5.397 -18.510 2.711 87 HB3 ASP 12 1HB ASP 12 4.550 -16.985 2.473 88 H VAL 13 HN VAL 13 4.220 -15.641 3.629 89 HA VAL 13 HA VAL 13 3.513 -13.617 4.385 90 HB VAL 13 HB VAL 13 1.216 -15.258 5.481 91 HG11 VAL 13 1HG1 VAL 13 1.925 -12.401 5.691 92 HG12 VAL 13 2HG1 VAL 13 0.893 -13.382 6.730 93 HG13 VAL 13 3HG1 VAL 13 0.264 -12.738 5.211 94 HG21 VAL 13 1HG2 VAL 13 0.147 -13.834 3.507 95 HG22 VAL 13 2HG2 VAL 13 0.954 -15.363 3.177 96 HG23 VAL 13 3HG2 VAL 13 1.800 -13.844 2.900 97 H SER 14 HN SER 14 2.977 -16.000 7.002 98 HA SER 14 HA SER 14 3.359 -14.265 9.143 99 HB2 SER 14 2HB SER 14 4.244 -17.154 9.051 100 HB3 SER 14 1HB SER 14 3.813 -16.219 10.479 101 HG SER 14 HG SER 14 2.001 -16.492 8.343 102 H GLY 15 HN GLY 15 5.033 -12.798 8.802 103 HA2 GLY 15 2HA GLY 15 7.454 -13.073 9.874 104 HA3 GLY 15 1HA GLY 15 7.728 -13.798 8.294 105 H THR 16 HN THR 16 9.300 -12.065 8.044 106 HA THR 16 HA THR 16 8.256 -9.372 7.685 107 HB THR 16 HB THR 16 11.077 -10.388 7.328 108 HG1 THR 16 1HG THR 16 9.600 -9.484 9.536 109 HG21 THR 16 1HG2 THR 16 11.549 -7.920 7.768 110 HG22 THR 16 2HG2 THR 16 9.826 -7.642 7.512 111 HG23 THR 16 3HG2 THR 16 10.817 -8.294 6.208 112 H TRP 17 HN TRP 17 8.531 -8.165 5.765 113 HA TRP 17 HA TRP 17 9.089 -9.667 3.306 114 HB2 TRP 17 2HB TRP 17 6.499 -8.258 3.962 115 HB3 TRP 17 1HB TRP 17 7.004 -8.572 2.302 116 HD1 TRP 17 1HD TRP 17 6.309 -10.496 5.579 117 HE1 TRP 17 1HE TRP 17 5.518 -12.871 4.963 118 HE3 TRP 17 3HE TRP 17 6.839 -10.317 0.509 119 HZ2 TRP 17 2HZ TRP 17 5.155 -14.479 2.624 120 HZ3 TRP 17 3HZ TRP 17 6.261 -12.275 -0.892 121 HH2 TRP 17 2HH TRP 17 5.421 -14.358 0.160 122 H TYR 18 HN TYR 18 8.751 -7.944 1.390 123 HA TYR 18 HA TYR 18 9.851 -5.348 2.255 124 HB2 TYR 18 2HB TYR 18 10.887 -6.968 -0.085 125 HB3 TYR 18 1HB TYR 18 11.485 -5.400 0.457 126 HD1 TYR 18 1HD TYR 18 10.919 -8.899 1.664 127 HD2 TYR 18 2HD TYR 18 13.216 -5.289 2.039 128 HE1 TYR 18 1HE TYR 18 12.439 -10.031 3.264 129 HE2 TYR 18 2HE TYR 18 14.736 -6.421 3.637 130 HH TYR 18 HH TYR 18 14.081 -9.708 4.780 131 H LEU 19 HN LEU 19 9.562 -3.662 0.624 132 HA LEU 19 HA LEU 19 7.143 -4.123 -1.012 133 HB2 LEU 19 2HB LEU 19 7.148 -2.344 0.806 134 HB3 LEU 19 1HB LEU 19 8.356 -1.495 -0.155 135 HG LEU 19 HG LEU 19 6.645 -1.755 -2.110 136 HD11 LEU 19 1HD1 LEU 19 4.467 -1.548 -0.155 137 HD12 LEU 19 2HD1 LEU 19 5.222 -3.138 -0.173 138 HD13 LEU 19 3HD1 LEU 19 4.544 -2.469 -1.656 139 HD21 LEU 19 1HD2 LEU 19 6.637 0.467 -1.695 140 HD22 LEU 19 2HD2 LEU 19 6.899 0.212 0.026 141 HD23 LEU 19 3HD2 LEU 19 5.267 0.185 -0.624 142 H LYS 20 HN LYS 20 7.409 -4.207 -3.152 143 HA LYS 20 HA LYS 20 9.955 -3.212 -4.271 144 HB2 LYS 20 2HB LYS 20 8.117 -5.240 -5.530 145 HB3 LYS 20 1HB LYS 20 9.807 -4.911 -5.916 146 HG2 LYS 20 2HG LYS 20 9.886 -5.465 -3.195 147 HG3 LYS 20 1HG LYS 20 8.682 -6.605 -3.796 148 HD2 LYS 20 2HD LYS 20 11.472 -6.233 -4.933 149 HD3 LYS 20 1HD LYS 20 10.962 -7.558 -3.888 150 HE2 LYS 20 2HE LYS 20 9.067 -7.799 -5.762 151 HE3 LYS 20 1HE LYS 20 10.316 -7.050 -6.755 152 HZ1 LYS 20 1HZ LYS 20 10.385 -9.618 -5.318 153 HZ2 LYS 20 2HZ LYS 20 11.833 -8.804 -5.674 154 HZ3 LYS 20 3HZ LYS 20 10.793 -9.283 -6.930 155 H ALA 21 HN ALA 21 6.587 -2.632 -4.287 156 HA ALA 21 HA ALA 21 6.929 -0.502 -6.204 157 HB1 ALA 21 1HB ALA 21 6.396 -2.896 -7.367 158 HB2 ALA 21 2HB ALA 21 5.898 -1.339 -8.035 159 HB3 ALA 21 3HB ALA 21 4.763 -2.294 -7.082 160 H MET 22 HN MET 22 5.425 1.105 -5.901 161 HA MET 22 HA MET 22 2.904 0.479 -4.584 162 HB2 MET 22 2HB MET 22 4.584 0.740 -2.757 163 HB3 MET 22 1HB MET 22 4.877 2.384 -3.315 164 HG2 MET 22 2HG MET 22 2.656 3.060 -2.792 165 HG3 MET 22 1HG MET 22 2.116 1.396 -2.586 166 HE1 MET 22 1HE MET 22 3.014 4.110 0.639 167 HE2 MET 22 2HE MET 22 1.969 4.084 -0.778 168 HE3 MET 22 3HE MET 22 3.666 4.516 -0.954 169 H THR 23 HN THR 23 1.324 2.048 -4.972 170 HA THR 23 HA THR 23 2.179 4.236 -6.774 171 HB THR 23 HB THR 23 0.649 2.890 -7.961 172 HG1 THR 23 1HG THR 23 -0.799 4.937 -6.641 173 HG21 THR 23 1HG2 THR 23 -1.669 2.565 -6.551 174 HG22 THR 23 2HG2 THR 23 -0.464 2.464 -5.267 175 HG23 THR 23 3HG2 THR 23 -0.384 1.360 -6.641 176 H VAL 24 HN VAL 24 2.141 6.221 -5.962 177 HA VAL 24 HA VAL 24 -0.010 7.035 -4.147 178 HB VAL 24 HB VAL 24 2.101 8.077 -2.764 179 HG11 VAL 24 1HG1 VAL 24 0.761 5.397 -2.293 180 HG12 VAL 24 2HG1 VAL 24 0.105 6.965 -1.822 181 HG13 VAL 24 3HG1 VAL 24 1.584 6.368 -1.074 182 HG21 VAL 24 1HG2 VAL 24 3.744 6.316 -2.448 183 HG22 VAL 24 2HG2 VAL 24 3.656 6.691 -4.165 184 HG23 VAL 24 3HG2 VAL 24 2.870 5.246 -3.536 185 H ASP 25 HN ASP 25 -0.613 8.533 -5.758 186 HA ASP 25 HA ASP 25 0.004 11.119 -5.609 187 HB2 ASP 25 2HB ASP 25 2.299 11.053 -6.059 188 HB3 ASP 25 1HB ASP 25 2.122 9.763 -7.251 189 H ARG 26 HN ARG 26 -2.200 10.863 -6.238 190 HA ARG 26 HA ARG 26 -2.561 10.659 -9.167 191 HB2 ARG 26 2HB ARG 26 -4.628 9.762 -7.165 192 HB3 ARG 26 1HB ARG 26 -4.552 9.414 -8.892 193 HG2 ARG 26 2HG ARG 26 -3.639 7.442 -8.183 194 HG3 ARG 26 1HG ARG 26 -2.167 8.392 -8.094 195 HD2 ARG 26 2HD ARG 26 -2.524 7.154 -6.001 196 HD3 ARG 26 1HD ARG 26 -2.619 8.890 -5.723 197 HE ARG 26 HE ARG 26 -5.211 7.896 -6.260 198 HH11 ARG 26 1HH1 ARG 26 -6.627 7.590 -4.511 199 HH12 ARG 26 2HH1 ARG 26 -5.995 7.447 -2.905 200 HH21 ARG 26 1HH2 ARG 26 -2.690 7.797 -3.891 201 HH22 ARG 26 2HH2 ARG 26 -3.767 7.563 -2.554 202 H GLU 27 HN GLU 27 -4.578 11.511 -6.348 203 HA GLU 27 HA GLU 27 -5.453 13.917 -7.804 204 HB2 GLU 27 2HB GLU 27 -6.799 11.995 -6.176 205 HB3 GLU 27 1HB GLU 27 -6.902 13.565 -5.378 206 HG2 GLU 27 2HG GLU 27 -7.770 14.585 -7.424 207 HG3 GLU 27 1HG GLU 27 -7.593 13.057 -8.286 208 H PHE 28 HN PHE 28 -3.664 12.851 -5.040 209 HA PHE 28 HA PHE 28 -3.454 15.636 -4.062 210 HB2 PHE 28 2HB PHE 28 -2.677 13.247 -2.423 211 HB3 PHE 28 1HB PHE 28 -3.211 14.840 -1.891 212 HD1 PHE 28 1HD PHE 28 -4.223 11.570 -1.928 213 HD2 PHE 28 2HD PHE 28 -5.638 15.439 -3.154 214 HE1 PHE 28 1HE PHE 28 -6.559 10.753 -1.812 215 HE2 PHE 28 2HE PHE 28 -7.975 14.619 -3.036 216 HZ PHE 28 HZ PHE 28 -8.435 12.277 -2.365 217 HA PRO 29 HA PRO 29 0.757 14.557 -5.601 218 HB2 PRO 29 2HB PRO 29 1.231 16.812 -7.023 219 HB3 PRO 29 1HB PRO 29 0.288 15.460 -7.678 220 HG2 PRO 29 2HG PRO 29 -0.634 18.069 -6.615 221 HG3 PRO 29 1HG PRO 29 -1.294 17.083 -7.930 222 HD2 PRO 29 2HD PRO 29 -2.312 17.203 -5.323 223 HD3 PRO 29 1HD PRO 29 -2.674 15.938 -6.516 224 H GLU 30 HN GLU 30 1.776 14.721 -3.613 225 HA GLU 30 HA GLU 30 3.275 17.057 -3.057 226 HB2 GLU 30 2HB GLU 30 1.400 18.103 -2.119 227 HB3 GLU 30 1HB GLU 30 0.775 16.595 -1.449 228 HG2 GLU 30 2HG GLU 30 2.315 16.582 0.308 229 HG3 GLU 30 1HG GLU 30 3.437 17.647 -0.537 230 H MET 31 HN MET 31 1.704 14.658 -0.934 231 HA MET 31 HA MET 31 4.181 13.961 0.317 232 HB2 MET 31 2HB MET 31 2.861 12.280 1.511 233 HB3 MET 31 1HB MET 31 2.017 13.828 1.515 234 HG2 MET 31 2HG MET 31 0.891 12.894 -0.673 235 HG3 MET 31 1HG MET 31 1.381 11.329 -0.024 236 HE1 MET 31 1HE MET 31 1.236 11.190 2.808 237 HE2 MET 31 2HE MET 31 0.294 10.091 1.804 238 HE3 MET 31 3HE MET 31 -0.456 10.854 3.203 239 H ASN 32 HN ASN 32 5.667 12.742 -0.594 240 HA ASN 32 HA ASN 32 4.824 10.529 -2.366 241 HB2 ASN 32 2HB ASN 32 6.691 10.973 -3.823 242 HB3 ASN 32 1HB ASN 32 5.768 12.464 -3.638 243 HD21 ASN 32 1HD2 ASN 32 6.630 13.697 -1.438 244 HD22 ASN 32 2HD2 ASN 32 8.317 13.888 -1.408 245 H LEU 33 HN LEU 33 5.823 8.620 -2.095 246 HA LEU 33 HA LEU 33 7.296 8.173 0.319 247 HB2 LEU 33 2HB LEU 33 5.689 6.629 -1.220 248 HB3 LEU 33 1HB LEU 33 7.263 6.079 -1.778 249 HG LEU 33 HG LEU 33 6.368 6.194 1.117 250 HD11 LEU 33 1HD1 LEU 33 5.993 4.226 -0.984 251 HD12 LEU 33 2HD1 LEU 33 5.356 4.233 0.660 252 HD13 LEU 33 3HD1 LEU 33 6.954 3.559 0.337 253 HD21 LEU 33 1HD2 LEU 33 8.961 5.668 -0.228 254 HD22 LEU 33 2HD2 LEU 33 8.518 4.538 1.045 255 HD23 LEU 33 3HD2 LEU 33 8.639 6.260 1.399 256 H GLU 34 HN GLU 34 9.409 8.427 0.567 257 HA GLU 34 HA GLU 34 11.118 8.644 -1.813 258 HB2 GLU 34 2HB GLU 34 11.186 9.728 0.934 259 HB3 GLU 34 1HB GLU 34 12.751 9.284 0.250 260 HG2 GLU 34 2HG GLU 34 12.332 10.671 -1.711 261 HG3 GLU 34 1HG GLU 34 10.709 11.047 -1.133 262 H SER 35 HN SER 35 10.796 6.802 1.195 263 HA SER 35 HA SER 35 12.331 4.624 0.034 264 HB2 SER 35 2HB SER 35 14.167 4.647 1.424 265 HB3 SER 35 1HB SER 35 13.866 6.383 1.384 266 HG SER 35 HG SER 35 13.004 6.281 3.361 267 H VAL 36 HN VAL 36 12.130 2.643 1.274 268 HA VAL 36 HA VAL 36 10.002 2.788 3.313 269 HB VAL 36 HB VAL 36 9.031 2.226 1.139 270 HG11 VAL 36 1HG1 VAL 36 11.257 1.180 0.327 271 HG12 VAL 36 2HG1 VAL 36 9.762 0.379 -0.160 272 HG13 VAL 36 3HG1 VAL 36 10.721 -0.282 1.161 273 HG21 VAL 36 1HG2 VAL 36 8.704 0.873 3.536 274 HG22 VAL 36 2HG2 VAL 36 8.927 -0.437 2.376 275 HG23 VAL 36 3HG2 VAL 36 7.638 0.743 2.143 276 H THR 37 HN THR 37 9.987 1.129 4.854 277 HA THR 37 HA THR 37 12.560 -0.295 5.077 278 HB THR 37 HB THR 37 12.060 -0.496 7.436 279 HG1 THR 37 1HG THR 37 9.818 -0.820 7.181 280 HG21 THR 37 1HG2 THR 37 12.186 1.782 8.059 281 HG22 THR 37 2HG2 THR 37 11.224 2.295 6.676 282 HG23 THR 37 3HG2 THR 37 12.871 1.725 6.436 283 HA PRO 38 HA PRO 38 10.788 -4.318 4.231 284 HB2 PRO 38 2HB PRO 38 11.768 -5.022 6.980 285 HB3 PRO 38 1HB PRO 38 11.961 -5.917 5.458 286 HG2 PRO 38 2HG PRO 38 13.949 -4.481 6.512 287 HG3 PRO 38 1HG PRO 38 13.714 -4.619 4.762 288 HD2 PRO 38 2HD PRO 38 13.262 -2.286 6.527 289 HD3 PRO 38 1HD PRO 38 13.547 -2.341 4.771 290 H MET 39 HN MET 39 8.698 -5.102 4.577 291 HA MET 39 HA MET 39 7.219 -3.871 6.759 292 HB2 MET 39 2HB MET 39 6.172 -3.673 4.617 293 HB3 MET 39 1HB MET 39 6.360 -5.399 4.302 294 HG2 MET 39 2HG MET 39 4.673 -5.990 5.753 295 HG3 MET 39 1HG MET 39 4.884 -4.565 6.763 296 HE1 MET 39 1HE MET 39 2.711 -4.999 2.781 297 HE2 MET 39 2HE MET 39 3.887 -6.069 3.540 298 HE3 MET 39 3HE MET 39 4.440 -4.625 2.696 299 H THR 40 HN THR 40 6.212 -4.946 8.364 300 HA THR 40 HA THR 40 6.947 -7.775 8.659 301 HB THR 40 HB THR 40 5.930 -6.055 10.898 302 HG1 THR 40 1HG THR 40 8.243 -5.688 11.265 303 HG21 THR 40 1HG2 THR 40 8.116 -8.042 11.186 304 HG22 THR 40 2HG2 THR 40 6.526 -8.689 10.780 305 HG23 THR 40 3HG2 THR 40 6.738 -7.721 12.239 306 H LEU 41 HN LEU 41 5.358 -9.116 8.053 307 HA LEU 41 HA LEU 41 2.554 -8.314 8.564 308 HB2 LEU 41 2HB LEU 41 3.879 -9.648 6.385 309 HB3 LEU 41 1HB LEU 41 2.651 -10.705 7.072 310 HG LEU 41 HG LEU 41 1.067 -8.668 6.959 311 HD11 LEU 41 1HD1 LEU 41 2.740 -6.939 6.592 312 HD12 LEU 41 2HD1 LEU 41 1.698 -7.039 5.173 313 HD13 LEU 41 3HD1 LEU 41 3.307 -7.756 5.134 314 HD21 LEU 41 1HD2 LEU 41 0.688 -10.439 5.487 315 HD22 LEU 41 2HD2 LEU 41 2.167 -10.143 4.579 316 HD23 LEU 41 3HD2 LEU 41 0.799 -9.036 4.431 317 H THR 42 HN THR 42 1.987 -9.013 10.575 318 HA THR 42 HA THR 42 2.925 -11.643 11.473 319 HB THR 42 HB THR 42 2.764 -10.868 13.586 320 HG1 THR 42 1HG THR 42 0.863 -10.413 14.328 321 HG21 THR 42 1HG2 THR 42 2.260 -8.227 12.188 322 HG22 THR 42 2HG2 THR 42 3.840 -8.976 12.397 323 HG23 THR 42 3HG2 THR 42 2.927 -8.437 13.805 324 H THR 43 HN THR 43 1.707 -13.342 11.221 325 HA THR 43 HA THR 43 -1.088 -12.984 10.468 326 HB THR 43 HB THR 43 0.477 -15.562 10.569 327 HG1 THR 43 1HG THR 43 1.071 -15.152 8.527 328 HG21 THR 43 1HG2 THR 43 -1.265 -16.441 9.208 329 HG22 THR 43 2HG2 THR 43 -1.918 -14.836 8.879 330 HG23 THR 43 3HG2 THR 43 -2.093 -15.547 10.485 331 H LEU 44 HN LEU 44 -2.307 -12.610 12.213 332 HA LEU 44 HA LEU 44 -1.879 -13.985 14.685 333 HB2 LEU 44 2HB LEU 44 -4.481 -12.666 13.987 334 HB3 LEU 44 1HB LEU 44 -3.665 -12.749 15.545 335 HG LEU 44 HG LEU 44 -2.812 -11.112 13.140 336 HD11 LEU 44 1HD1 LEU 44 -3.603 -9.275 14.262 337 HD12 LEU 44 2HD1 LEU 44 -3.246 -9.959 15.848 338 HD13 LEU 44 3HD1 LEU 44 -4.687 -10.472 14.968 339 HD21 LEU 44 1HD2 LEU 44 -1.431 -11.809 15.728 340 HD22 LEU 44 2HD2 LEU 44 -1.087 -10.285 14.908 341 HD23 LEU 44 3HD2 LEU 44 -0.775 -11.816 14.090 342 H GLU 45 HN GLU 45 -1.720 -16.006 13.584 343 HA GLU 45 HA GLU 45 -3.685 -17.419 12.251 344 HB2 GLU 45 2HB GLU 45 -1.775 -18.531 14.325 345 HB3 GLU 45 1HB GLU 45 -2.602 -19.458 13.073 346 HG2 GLU 45 2HG GLU 45 -1.230 -17.192 11.907 347 HG3 GLU 45 1HG GLU 45 -0.109 -18.170 12.852 348 H GLY 46 HN GLY 46 -5.626 -16.550 13.261 349 HA2 GLY 46 2HA GLY 46 -7.103 -18.298 14.702 350 HA3 GLY 46 1HA GLY 46 -6.265 -17.371 15.940 351 H GLY 47 HN GLY 47 -6.324 -15.024 13.902 352 HA2 GLY 47 2HA GLY 47 -9.185 -14.405 14.050 353 HA3 GLY 47 1HA GLY 47 -8.090 -13.377 14.962 354 H ASN 48 HN ASN 48 -6.137 -12.570 13.526 355 HA ASN 48 HA ASN 48 -7.042 -11.996 10.785 356 HB2 ASN 48 2HB ASN 48 -6.413 -9.791 12.737 357 HB3 ASN 48 1HB ASN 48 -7.072 -9.634 11.112 358 HD21 ASN 48 1HD2 ASN 48 -7.933 -9.943 14.417 359 HD22 ASN 48 2HD2 ASN 48 -9.585 -10.265 14.192 360 H LEU 49 HN LEU 49 -5.417 -9.853 10.185 361 HA LEU 49 HA LEU 49 -2.665 -10.928 10.520 362 HB2 LEU 49 2HB LEU 49 -4.222 -10.673 8.169 363 HB3 LEU 49 1HB LEU 49 -3.014 -9.395 8.105 364 HG LEU 49 HG LEU 49 -2.356 -12.300 8.668 365 HD11 LEU 49 1HD1 LEU 49 -1.837 -10.822 6.089 366 HD12 LEU 49 2HD1 LEU 49 -3.314 -11.752 6.338 367 HD13 LEU 49 3HD1 LEU 49 -1.747 -12.556 6.396 368 HD21 LEU 49 1HD2 LEU 49 -0.878 -10.053 9.202 369 HD22 LEU 49 2HD2 LEU 49 -0.362 -10.416 7.562 370 HD23 LEU 49 3HD2 LEU 49 -0.171 -11.623 8.828 371 H GLU 50 HN GLU 50 -1.091 -9.431 11.052 372 HA GLU 50 HA GLU 50 -1.939 -6.606 11.168 373 HB2 GLU 50 2HB GLU 50 -1.595 -7.662 13.402 374 HB3 GLU 50 1HB GLU 50 0.076 -7.979 12.947 375 HG2 GLU 50 2HG GLU 50 0.611 -5.675 12.846 376 HG3 GLU 50 1HG GLU 50 -1.085 -5.197 12.809 377 H ALA 51 HN ALA 51 -0.819 -5.219 9.986 378 HA ALA 51 HA ALA 51 1.792 -6.113 8.942 379 HB1 ALA 51 1HB ALA 51 0.599 -6.072 7.002 380 HB2 ALA 51 2HB ALA 51 1.053 -4.366 7.067 381 HB3 ALA 51 3HB ALA 51 -0.547 -4.874 7.608 382 H LYS 52 HN LYS 52 3.457 -4.960 9.590 383 HA LYS 52 HA LYS 52 3.030 -2.124 10.283 384 HB2 LYS 52 2HB LYS 52 4.962 -3.986 11.665 385 HB3 LYS 52 1HB LYS 52 4.557 -2.331 12.124 386 HG2 LYS 52 2HG LYS 52 2.264 -2.988 12.631 387 HG3 LYS 52 1HG LYS 52 2.574 -4.626 12.061 388 HD2 LYS 52 2HD LYS 52 2.696 -4.528 14.518 389 HD3 LYS 52 1HD LYS 52 4.271 -4.924 13.830 390 HE2 LYS 52 2HE LYS 52 5.174 -2.852 14.349 391 HE3 LYS 52 1HE LYS 52 3.609 -2.041 14.305 392 HZ1 LYS 52 1HZ LYS 52 4.958 -3.097 16.523 393 HZ2 LYS 52 2HZ LYS 52 3.523 -3.979 16.313 394 HZ3 LYS 52 3HZ LYS 52 3.467 -2.290 16.485 395 H VAL 53 HN VAL 53 4.200 -0.769 9.059 396 HA VAL 53 HA VAL 53 6.910 -1.525 8.289 397 HB VAL 53 HB VAL 53 5.519 -2.335 6.429 398 HG11 VAL 53 1HG1 VAL 53 4.100 -0.821 5.172 399 HG12 VAL 53 2HG1 VAL 53 4.598 0.540 6.176 400 HG13 VAL 53 3HG1 VAL 53 3.621 -0.755 6.868 401 HG21 VAL 53 1HG2 VAL 53 7.761 -0.858 6.218 402 HG22 VAL 53 2HG2 VAL 53 6.658 0.202 5.342 403 HG23 VAL 53 3HG2 VAL 53 6.904 -1.456 4.799 404 H THR 54 HN THR 54 8.191 0.260 7.738 405 HA THR 54 HA THR 54 7.027 2.859 8.505 406 HB THR 54 HB THR 54 9.905 1.965 8.587 407 HG1 THR 54 1HG THR 54 8.338 2.656 10.802 408 HG21 THR 54 1HG2 THR 54 10.371 4.150 8.634 409 HG22 THR 54 2HG2 THR 54 9.501 4.243 10.166 410 HG23 THR 54 3HG2 THR 54 8.656 4.565 8.651 411 H MET 55 HN MET 55 6.893 4.367 7.010 412 HA MET 55 HA MET 55 8.421 3.975 4.505 413 HB2 MET 55 2HB MET 55 6.274 5.788 4.092 414 HB3 MET 55 1HB MET 55 6.502 4.197 3.381 415 HG2 MET 55 2HG MET 55 5.522 3.277 5.600 416 HG3 MET 55 1HG MET 55 4.978 4.936 5.880 417 HE1 MET 55 1HE MET 55 4.609 5.532 2.463 418 HE2 MET 55 2HE MET 55 4.002 6.300 3.929 419 HE3 MET 55 3HE MET 55 2.869 5.672 2.735 420 H LEU 56 HN LEU 56 9.240 5.783 3.470 421 HA LEU 56 HA LEU 56 9.752 8.047 5.307 422 HB2 LEU 56 2HB LEU 56 11.805 6.898 4.563 423 HB3 LEU 56 1HB LEU 56 11.352 7.174 2.882 424 HG LEU 56 HG LEU 56 11.422 9.626 3.266 425 HD11 LEU 56 1HD1 LEU 56 12.711 10.173 5.530 426 HD12 LEU 56 2HD1 LEU 56 11.916 8.695 6.069 427 HD13 LEU 56 3HD1 LEU 56 10.951 10.055 5.493 428 HD21 LEU 56 1HD2 LEU 56 13.999 9.553 4.083 429 HD22 LEU 56 2HD2 LEU 56 13.498 9.074 2.462 430 HD23 LEU 56 3HD2 LEU 56 13.768 7.848 3.700 431 H ILE 57 HN ILE 57 7.787 9.027 4.830 432 HA ILE 57 HA ILE 57 7.139 9.751 2.111 433 HB ILE 57 HB ILE 57 5.847 10.358 4.777 434 HG12 ILE 57 2HG1 ILE 57 5.870 8.008 3.517 435 HG13 ILE 57 1HG1 ILE 57 4.410 8.600 4.305 436 HG21 ILE 57 1HG2 ILE 57 5.255 12.202 3.433 437 HG22 ILE 57 2HG2 ILE 57 3.918 11.073 3.220 438 HG23 ILE 57 3HG2 ILE 57 5.160 11.220 1.972 439 HD11 ILE 57 1HD1 ILE 57 4.984 9.220 1.403 440 HD12 ILE 57 2HD1 ILE 57 3.441 9.288 2.253 441 HD13 ILE 57 3HD1 ILE 57 4.175 7.733 1.881 442 H SER 58 HN SER 58 7.994 11.385 1.143 443 HA SER 58 HA SER 58 9.291 13.294 0.814 444 HB2 SER 58 2HB SER 58 7.126 14.433 2.586 445 HB3 SER 58 1HB SER 58 8.031 15.277 1.332 446 HG SER 58 HG SER 58 6.341 14.666 0.193 447 H GLY 59 HN GLY 59 10.614 11.899 2.750 448 HA2 GLY 59 2HA GLY 59 12.358 12.336 4.214 449 HA3 GLY 59 1HA GLY 59 11.880 14.029 4.225 450 H ARG 60 HN ARG 60 9.350 11.835 4.882 451 HA ARG 60 HA ARG 60 9.609 12.333 7.789 452 HB2 ARG 60 2HB ARG 60 7.001 12.033 6.293 453 HB3 ARG 60 1HB ARG 60 7.240 12.574 7.952 454 HG2 ARG 60 2HG ARG 60 8.347 14.601 7.189 455 HG3 ARG 60 1HG ARG 60 8.279 14.050 5.515 456 HD2 ARG 60 2HD ARG 60 6.471 15.684 6.091 457 HD3 ARG 60 1HD ARG 60 5.864 14.134 5.516 458 HE ARG 60 HE ARG 60 5.014 13.716 7.656 459 HH11 ARG 60 1HH1 ARG 60 4.455 14.394 9.750 460 HH12 ARG 60 2HH1 ARG 60 5.180 15.820 10.416 461 HH21 ARG 60 1HH2 ARG 60 7.100 16.477 7.605 462 HH22 ARG 60 2HH2 ARG 60 6.677 16.998 9.201 463 H CYS 61 HN CYS 61 9.745 10.557 8.994 464 HA CYS 61 HA CYS 61 9.431 7.953 7.773 465 HB2 CYS 61 2HB CYS 61 10.980 8.962 9.834 466 HB3 CYS 61 1HB CYS 61 9.770 7.993 10.676 467 H GLN 62 HN GLN 62 7.315 7.497 7.363 468 HA GLN 62 HA GLN 62 5.326 7.945 9.459 469 HB2 GLN 62 2HB GLN 62 5.282 7.538 6.535 470 HB3 GLN 62 1HB GLN 62 3.950 6.792 7.421 471 HG2 GLN 62 2HG GLN 62 4.778 9.659 7.891 472 HG3 GLN 62 1HG GLN 62 3.600 9.217 6.657 473 HE21 GLN 62 1HE2 GLN 62 3.261 10.711 9.312 474 HE22 GLN 62 2HE2 GLN 62 2.028 9.862 10.112 475 H GLU 63 HN GLU 63 5.388 6.406 10.990 476 HA GLU 63 HA GLU 63 5.942 3.629 10.382 477 HB2 GLU 63 2HB GLU 63 4.902 4.898 12.931 478 HB3 GLU 63 1HB GLU 63 5.544 3.264 12.768 479 HG2 GLU 63 2HG GLU 63 7.607 4.069 13.144 480 HG3 GLU 63 1HG GLU 63 7.483 5.013 11.660 481 H VAL 64 HN VAL 64 4.441 2.361 9.449 482 HA VAL 64 HA VAL 64 1.599 3.017 9.925 483 HB VAL 64 HB VAL 64 2.539 1.077 7.850 484 HG11 VAL 64 1HG1 VAL 64 0.434 3.206 7.586 485 HG12 VAL 64 2HG1 VAL 64 0.092 1.739 8.506 486 HG13 VAL 64 3HG1 VAL 64 0.524 1.629 6.800 487 HG21 VAL 64 1HG2 VAL 64 4.023 2.850 7.349 488 HG22 VAL 64 2HG2 VAL 64 2.848 4.079 7.817 489 HG23 VAL 64 3HG2 VAL 64 2.625 3.171 6.322 490 H LYS 65 HN LYS 65 0.200 1.500 10.752 491 HA LYS 65 HA LYS 65 1.084 -1.245 11.194 492 HB2 LYS 65 2HB LYS 65 1.931 -0.105 13.180 493 HB3 LYS 65 1HB LYS 65 0.358 0.633 13.461 494 HG2 LYS 65 2HG LYS 65 0.106 -2.251 13.177 495 HG3 LYS 65 1HG LYS 65 1.275 -1.854 14.429 496 HD2 LYS 65 2HD LYS 65 -0.307 -0.735 15.742 497 HD3 LYS 65 1HD LYS 65 -1.391 -0.446 14.382 498 HE2 LYS 65 2HE LYS 65 -2.013 -2.756 14.277 499 HE3 LYS 65 1HE LYS 65 -0.777 -3.203 15.451 500 HZ1 LYS 65 1HZ LYS 65 -3.188 -2.900 16.243 501 HZ2 LYS 65 2HZ LYS 65 -2.859 -1.236 16.148 502 HZ3 LYS 65 3HZ LYS 65 -1.940 -2.230 17.174 503 H ALA 66 HN ALA 66 -0.582 -1.929 9.882 504 HA ALA 66 HA ALA 66 -3.314 -1.210 10.719 505 HB1 ALA 66 1HB ALA 66 -3.959 -1.238 8.536 506 HB2 ALA 66 2HB ALA 66 -2.854 -2.547 8.117 507 HB3 ALA 66 3HB ALA 66 -2.250 -0.897 8.268 508 H VAL 67 HN VAL 67 -4.905 -2.805 10.672 509 HA VAL 67 HA VAL 67 -3.913 -5.548 11.007 510 HB VAL 67 HB VAL 67 -6.347 -4.529 12.439 511 HG11 VAL 67 1HG1 VAL 67 -5.343 -7.022 12.143 512 HG12 VAL 67 2HG1 VAL 67 -6.198 -6.506 13.596 513 HG13 VAL 67 3HG1 VAL 67 -4.434 -6.510 13.562 514 HG21 VAL 67 1HG2 VAL 67 -3.445 -4.265 13.250 515 HG22 VAL 67 2HG2 VAL 67 -4.765 -4.218 14.417 516 HG23 VAL 67 3HG2 VAL 67 -4.656 -2.987 13.159 517 H LEU 68 HN LEU 68 -4.659 -6.840 9.457 518 HA LEU 68 HA LEU 68 -6.906 -6.013 7.844 519 HB2 LEU 68 2HB LEU 68 -5.342 -8.584 7.675 520 HB3 LEU 68 1HB LEU 68 -6.249 -7.784 6.392 521 HG LEU 68 HG LEU 68 -3.744 -6.724 7.737 522 HD11 LEU 68 1HD1 LEU 68 -2.648 -7.211 5.696 523 HD12 LEU 68 2HD1 LEU 68 -4.173 -7.409 4.825 524 HD13 LEU 68 3HD1 LEU 68 -3.650 -8.630 5.988 525 HD21 LEU 68 1HD2 LEU 68 -4.073 -5.080 5.689 526 HD22 LEU 68 2HD2 LEU 68 -4.909 -4.778 7.212 527 HD23 LEU 68 3HD2 LEU 68 -5.764 -5.535 5.871 528 H GLU 69 HN GLU 69 -8.603 -6.165 9.496 529 HA GLU 69 HA GLU 69 -9.142 -8.584 10.833 530 HB2 GLU 69 2HB GLU 69 -10.961 -6.279 10.110 531 HB3 GLU 69 1HB GLU 69 -11.360 -7.565 11.251 532 HG2 GLU 69 2HG GLU 69 -8.782 -6.133 11.666 533 HG3 GLU 69 1HG GLU 69 -10.257 -5.251 12.043 534 H LYS 70 HN LYS 70 -10.036 -10.407 10.129 535 HA LYS 70 HA LYS 70 -10.695 -10.771 7.385 536 HB2 LYS 70 2HB LYS 70 -9.827 -12.605 8.750 537 HB3 LYS 70 1HB LYS 70 -11.250 -12.525 9.791 538 HG2 LYS 70 2HG LYS 70 -11.957 -12.739 6.963 539 HG3 LYS 70 1HG LYS 70 -10.987 -14.104 7.516 540 HD2 LYS 70 2HD LYS 70 -12.539 -14.443 9.408 541 HD3 LYS 70 1HD LYS 70 -13.516 -13.086 8.847 542 HE2 LYS 70 2HE LYS 70 -14.673 -14.714 7.743 543 HE3 LYS 70 1HE LYS 70 -13.370 -14.562 6.565 544 HZ1 LYS 70 1HZ LYS 70 -13.172 -16.754 6.954 545 HZ2 LYS 70 2HZ LYS 70 -13.900 -16.673 8.488 546 HZ3 LYS 70 3HZ LYS 70 -12.267 -16.244 8.294 547 H THR 71 HN THR 71 -12.627 -10.790 6.354 548 HA THR 71 HA THR 71 -15.000 -10.000 7.936 549 HB THR 71 HB THR 71 -15.861 -9.027 5.842 550 HG1 THR 71 1HG THR 71 -14.671 -10.450 4.463 551 HG21 THR 71 1HG2 THR 71 -14.518 -7.094 5.878 552 HG22 THR 71 2HG2 THR 71 -13.054 -8.008 6.244 553 HG23 THR 71 3HG2 THR 71 -14.294 -7.793 7.482 554 H ASP 72 HN ASP 72 -17.025 -10.529 6.328 555 HA ASP 72 HA ASP 72 -17.168 -13.407 6.366 556 HB2 ASP 72 2HB ASP 72 -19.255 -11.624 5.146 557 HB3 ASP 72 1HB ASP 72 -19.464 -13.147 6.010 558 H GLU 73 HN GLU 73 -15.675 -11.441 4.277 559 HA GLU 73 HA GLU 73 -16.398 -13.089 1.934 560 HB2 GLU 73 2HB GLU 73 -16.399 -10.236 2.263 561 HB3 GLU 73 1HB GLU 73 -15.187 -10.685 1.063 562 HG2 GLU 73 2HG GLU 73 -16.820 -11.881 -0.243 563 HG3 GLU 73 1HG GLU 73 -18.035 -11.714 1.021 564 HA PRO 74 HA PRO 74 -12.044 -14.131 2.190 565 HB2 PRO 74 2HB PRO 74 -11.696 -15.341 -0.220 566 HB3 PRO 74 1HB PRO 74 -12.586 -16.104 1.113 567 HG2 PRO 74 2HG PRO 74 -13.628 -14.702 -1.298 568 HG3 PRO 74 1HG PRO 74 -14.214 -16.172 -0.505 569 HD2 PRO 74 2HD PRO 74 -15.375 -13.710 -0.154 570 HD3 PRO 74 1HD PRO 74 -15.434 -15.006 1.060 571 H GLY 75 HN GLY 75 -10.195 -13.031 1.785 572 HA2 GLY 75 2HA GLY 75 -8.625 -11.737 0.669 573 HA3 GLY 75 1HA GLY 75 -9.669 -11.749 -0.746 574 H LYS 76 HN LYS 76 -11.408 -10.850 1.968 575 HA LYS 76 HA LYS 76 -11.036 -7.978 1.365 576 HB2 LYS 76 2HB LYS 76 -13.216 -8.935 0.582 577 HB3 LYS 76 1HB LYS 76 -13.583 -9.338 2.260 578 HG2 LYS 76 2HG LYS 76 -13.308 -6.928 2.862 579 HG3 LYS 76 1HG LYS 76 -13.059 -6.562 1.156 580 HD2 LYS 76 2HD LYS 76 -15.272 -6.921 0.613 581 HD3 LYS 76 1HD LYS 76 -15.505 -8.112 1.891 582 HE2 LYS 76 2HE LYS 76 -15.859 -6.500 3.521 583 HE3 LYS 76 1HE LYS 76 -14.936 -5.273 2.656 584 HZ1 LYS 76 1HZ LYS 76 -16.683 -5.022 1.086 585 HZ2 LYS 76 2HZ LYS 76 -17.382 -4.930 2.630 586 HZ3 LYS 76 3HZ LYS 76 -17.533 -6.350 1.711 587 H TYR 77 HN TYR 77 -9.917 -7.126 3.030 588 HA TYR 77 HA TYR 77 -10.763 -7.884 5.765 589 HB2 TYR 77 2HB TYR 77 -8.043 -6.846 4.972 590 HB3 TYR 77 1HB TYR 77 -8.538 -7.464 6.546 591 HD1 TYR 77 1HD TYR 77 -7.949 -8.409 3.000 592 HD2 TYR 77 2HD TYR 77 -8.555 -9.798 7.016 593 HE1 TYR 77 1HE TYR 77 -7.306 -10.699 2.305 594 HE2 TYR 77 2HE TYR 77 -7.913 -12.089 6.321 595 HH TYR 77 HH TYR 77 -6.298 -12.792 3.580 596 H THR 78 HN THR 78 -10.527 -6.202 7.385 597 HA THR 78 HA THR 78 -10.779 -3.482 6.245 598 HB THR 78 HB THR 78 -12.281 -3.255 8.465 599 HG1 THR 78 1HG THR 78 -12.691 -5.190 9.151 600 HG21 THR 78 1HG2 THR 78 -13.113 -2.477 6.418 601 HG22 THR 78 2HG2 THR 78 -14.244 -3.761 6.854 602 HG23 THR 78 3HG2 THR 78 -12.985 -4.066 5.655 603 H ALA 79 HN ALA 79 -10.050 -1.767 7.576 604 HA ALA 79 HA ALA 79 -7.912 -2.621 9.379 605 HB1 ALA 79 1HB ALA 79 -7.577 -0.029 9.440 606 HB2 ALA 79 2HB ALA 79 -8.673 -0.043 8.060 607 HB3 ALA 79 3HB ALA 79 -7.152 -0.929 7.984 608 H ASP 80 HN ASP 80 -9.872 -3.438 10.800 609 HA ASP 80 HA ASP 80 -11.173 -3.208 12.680 610 HB2 ASP 80 2HB ASP 80 -8.783 -2.912 13.468 611 HB3 ASP 80 1HB ASP 80 -9.089 -1.176 13.470 612 H GLY 81 HN GLY 81 -12.263 -1.649 10.653 613 HA2 GLY 81 2HA GLY 81 -13.995 -0.090 10.562 614 HA3 GLY 81 1HA GLY 81 -13.631 0.365 12.229 615 H GLY 82 HN GLY 82 -11.218 0.107 9.768 616 HA2 GLY 82 2HA GLY 82 -10.557 2.950 10.095 617 HA3 GLY 82 1HA GLY 82 -9.549 1.726 9.317 618 H LYS 83 HN LYS 83 -12.955 2.205 8.755 619 HA LYS 83 HA LYS 83 -14.046 2.330 6.685 620 HB2 LYS 83 2HB LYS 83 -12.413 4.871 6.599 621 HB3 LYS 83 1HB LYS 83 -14.019 4.606 5.923 622 HG2 LYS 83 2HG LYS 83 -13.349 4.446 8.880 623 HG3 LYS 83 1HG LYS 83 -14.068 5.851 8.096 624 HD2 LYS 83 2HD LYS 83 -15.737 3.828 7.254 625 HD3 LYS 83 1HD LYS 83 -15.315 3.300 8.884 626 HE2 LYS 83 2HE LYS 83 -15.928 5.573 9.728 627 HE3 LYS 83 1HE LYS 83 -16.465 5.993 8.101 628 HZ1 LYS 83 1HZ LYS 83 -17.784 3.737 8.430 629 HZ2 LYS 83 2HZ LYS 83 -18.413 5.237 8.920 630 HZ3 LYS 83 3HZ LYS 83 -17.682 4.208 10.058 631 H HIS 84 HN HIS 84 -11.475 0.901 6.493 632 HA HIS 84 HA HIS 84 -10.967 1.426 3.663 633 HB2 HIS 84 2HB HIS 84 -9.031 1.557 5.835 634 HB3 HIS 84 1HB HIS 84 -8.570 0.411 4.583 635 HD1 HIS 84 1HD HIS 84 -9.026 4.053 5.219 636 HD2 HIS 84 2HD HIS 84 -8.274 1.568 1.960 637 HE1 HIS 84 1HE HIS 84 -8.315 5.564 3.313 638 H VAL 85 HN VAL 85 -10.705 -0.299 2.406 639 HA VAL 85 HA VAL 85 -11.058 -2.930 3.695 640 HB VAL 85 HB VAL 85 -11.925 -2.292 0.894 641 HG11 VAL 85 1HG1 VAL 85 -11.688 -4.658 1.592 642 HG12 VAL 85 2HG1 VAL 85 -13.368 -4.241 1.257 643 HG13 VAL 85 3HG1 VAL 85 -12.804 -4.362 2.922 644 HG21 VAL 85 1HG2 VAL 85 -13.416 -1.894 3.498 645 HG22 VAL 85 2HG2 VAL 85 -14.247 -2.082 1.953 646 HG23 VAL 85 3HG2 VAL 85 -13.160 -0.716 2.211 647 H ALA 86 HN ALA 86 -9.129 -3.900 3.642 648 HA ALA 86 HA ALA 86 -7.343 -3.498 1.394 649 HB1 ALA 86 1HB ALA 86 -6.268 -3.303 3.502 650 HB2 ALA 86 2HB ALA 86 -5.747 -4.841 2.808 651 HB3 ALA 86 3HB ALA 86 -6.984 -4.812 4.068 652 H TYR 87 HN TYR 87 -6.619 -5.041 0.047 653 HA TYR 87 HA TYR 87 -7.880 -7.698 0.263 654 HB2 TYR 87 2HB TYR 87 -7.458 -5.989 -2.196 655 HB3 TYR 87 1HB TYR 87 -7.811 -7.712 -2.278 656 HD1 TYR 87 1HD TYR 87 -9.091 -4.486 -0.906 657 HD2 TYR 87 2HD TYR 87 -10.022 -8.501 -2.113 658 HE1 TYR 87 1HE TYR 87 -11.511 -4.003 -0.649 659 HE2 TYR 87 2HE TYR 87 -12.441 -8.021 -1.850 660 HH TYR 87 HH TYR 87 -13.948 -6.549 -1.069 661 H ILE 88 HN ILE 88 -6.469 -9.344 0.252 662 HA ILE 88 HA ILE 88 -3.665 -8.776 -0.490 663 HB ILE 88 HB ILE 88 -4.503 -11.133 1.166 664 HG12 ILE 88 2HG1 ILE 88 -4.002 -8.311 2.171 665 HG13 ILE 88 1HG1 ILE 88 -5.537 -9.179 2.251 666 HG21 ILE 88 1HG2 ILE 88 -2.271 -11.263 1.675 667 HG22 ILE 88 2HG2 ILE 88 -2.060 -9.512 1.674 668 HG23 ILE 88 3HG2 ILE 88 -2.106 -10.398 0.147 669 HD11 ILE 88 1HD1 ILE 88 -4.793 -9.788 4.319 670 HD12 ILE 88 2HD1 ILE 88 -3.103 -9.495 3.903 671 HD13 ILE 88 3HD1 ILE 88 -3.883 -10.998 3.415 672 H ILE 89 HN ILE 89 -3.106 -9.571 -2.400 673 HA ILE 89 HA ILE 89 -4.330 -12.111 -3.280 674 HB ILE 89 HB ILE 89 -3.064 -10.387 -5.321 675 HG12 ILE 89 2HG1 ILE 89 -4.204 -8.682 -3.939 676 HG13 ILE 89 1HG1 ILE 89 -4.992 -8.879 -5.501 677 HG21 ILE 89 1HG2 ILE 89 -5.216 -11.016 -6.521 678 HG22 ILE 89 2HG2 ILE 89 -5.604 -12.025 -5.135 679 HG23 ILE 89 3HG2 ILE 89 -4.159 -12.358 -6.091 680 HD11 ILE 89 1HD1 ILE 89 -6.134 -9.198 -2.900 681 HD12 ILE 89 2HD1 ILE 89 -6.175 -10.759 -3.711 682 HD13 ILE 89 3HD1 ILE 89 -6.923 -9.356 -4.467 683 H ARG 90 HN ARG 90 -3.014 -13.494 -4.560 684 HA ARG 90 HA ARG 90 -0.171 -13.380 -3.798 685 HB2 ARG 90 2HB ARG 90 -1.451 -15.433 -3.190 686 HB3 ARG 90 1HB ARG 90 -1.756 -15.715 -4.904 687 HG2 ARG 90 2HG ARG 90 0.670 -15.826 -5.328 688 HG3 ARG 90 1HG ARG 90 0.985 -15.533 -3.619 689 HD2 ARG 90 2HD ARG 90 1.074 -17.835 -3.615 690 HD3 ARG 90 1HD ARG 90 -0.652 -17.622 -3.339 691 HE ARG 90 HE ARG 90 -0.413 -17.689 -6.070 692 HH11 ARG 90 1HH1 ARG 90 -0.552 -19.615 -7.264 693 HH12 ARG 90 2HH1 ARG 90 -0.167 -21.126 -6.510 694 HH21 ARG 90 1HH2 ARG 90 0.576 -19.704 -3.436 695 HH22 ARG 90 2HH2 ARG 90 0.471 -21.176 -4.342 696 H SER 91 HN SER 91 0.864 -12.209 -5.321 697 HA SER 91 HA SER 91 0.290 -11.665 -7.897 698 HB2 SER 91 2HB SER 91 2.424 -11.141 -6.413 699 HB3 SER 91 1HB SER 91 3.112 -12.459 -7.357 700 HG SER 91 HG SER 91 2.709 -11.329 -9.210 701 H HIS 92 HN HIS 92 1.272 -12.501 -9.926 702 HA HIS 92 HA HIS 92 0.597 -15.281 -10.240 703 HB2 HIS 92 2HB HIS 92 1.735 -13.210 -12.130 704 HB3 HIS 92 1HB HIS 92 1.380 -14.871 -12.611 705 HD1 HIS 92 1HD HIS 92 -0.732 -12.772 -10.267 706 HD2 HIS 92 2HD HIS 92 -0.943 -14.392 -14.102 707 HE1 HIS 92 1HE HIS 92 -3.103 -12.396 -11.074 708 H VAL 93 HN VAL 93 3.280 -13.674 -9.130 709 HA VAL 93 HA VAL 93 5.138 -15.784 -10.040 710 HB VAL 93 HB VAL 93 5.789 -13.066 -8.880 711 HG11 VAL 93 1HG1 VAL 93 8.028 -13.641 -9.974 712 HG12 VAL 93 2HG1 VAL 93 7.425 -15.291 -10.114 713 HG13 VAL 93 3HG1 VAL 93 7.619 -14.556 -8.523 714 HG21 VAL 93 1HG2 VAL 93 6.307 -12.411 -11.178 715 HG22 VAL 93 2HG2 VAL 93 4.629 -12.946 -11.088 716 HG23 VAL 93 3HG2 VAL 93 5.861 -14.015 -11.762 717 H LYS 94 HN LYS 94 6.662 -16.601 -8.472 718 HA LYS 94 HA LYS 94 5.403 -17.189 -5.958 719 HB2 LYS 94 2HB LYS 94 7.164 -18.527 -7.531 720 HB3 LYS 94 1HB LYS 94 8.254 -17.873 -6.310 721 HG2 LYS 94 2HG LYS 94 7.566 -19.917 -5.369 722 HG3 LYS 94 1HG LYS 94 6.506 -18.739 -4.594 723 HD2 LYS 94 2HD LYS 94 5.076 -19.329 -6.852 724 HD3 LYS 94 1HD LYS 94 5.851 -20.879 -6.522 725 HE2 LYS 94 2HE LYS 94 3.843 -20.961 -5.272 726 HE3 LYS 94 1HE LYS 94 5.074 -20.532 -4.083 727 HZ1 LYS 94 1HZ LYS 94 3.055 -19.142 -3.964 728 HZ2 LYS 94 2HZ LYS 94 3.386 -18.563 -5.526 729 HZ3 LYS 94 3HZ LYS 94 4.464 -18.243 -4.253 730 H ASP 95 HN ASP 95 6.107 -16.676 -3.896 731 HA ASP 95 HA ASP 95 6.988 -15.379 -2.222 732 HB2 ASP 95 2HB ASP 95 9.203 -14.584 -4.096 733 HB3 ASP 95 1HB ASP 95 9.257 -14.781 -2.344 734 H HIS 96 HN HIS 96 5.185 -14.231 -4.321 735 HA HIS 96 HA HIS 96 5.754 -11.397 -3.728 736 HB2 HIS 96 2HB HIS 96 5.228 -12.652 -6.403 737 HB3 HIS 96 1HB HIS 96 4.749 -10.982 -6.097 738 HD1 HIS 96 1HD HIS 96 7.823 -13.206 -6.070 739 HD2 HIS 96 2HD HIS 96 6.864 -9.151 -6.122 740 HE1 HIS 96 1HE HIS 96 9.993 -11.954 -6.468 741 H TYR 97 HN TYR 97 3.983 -10.167 -3.231 742 HA TYR 97 HA TYR 97 1.314 -11.337 -3.617 743 HB2 TYR 97 2HB TYR 97 2.636 -10.754 -1.022 744 HB3 TYR 97 1HB TYR 97 0.939 -10.296 -1.175 745 HD1 TYR 97 1HD TYR 97 3.309 -13.124 -1.677 746 HD2 TYR 97 2HD TYR 97 -0.765 -11.932 -1.031 747 HE1 TYR 97 1HE TYR 97 2.655 -15.505 -1.392 748 HE2 TYR 97 2HE TYR 97 -1.423 -14.302 -0.758 749 HH TYR 97 HH TYR 97 -0.729 -16.409 -0.698 750 H ILE 98 HN ILE 98 -0.249 -9.883 -4.094 751 HA ILE 98 HA ILE 98 0.570 -7.087 -4.388 752 HB ILE 98 HB ILE 98 -2.031 -8.305 -5.320 753 HG12 ILE 98 2HG1 ILE 98 -0.091 -9.672 -6.178 754 HG13 ILE 98 1HG1 ILE 98 -1.060 -8.913 -7.431 755 HG21 ILE 98 1HG2 ILE 98 -1.636 -6.528 -7.157 756 HG22 ILE 98 2HG2 ILE 98 -0.431 -5.864 -6.056 757 HG23 ILE 98 3HG2 ILE 98 -2.116 -5.974 -5.552 758 HD11 ILE 98 1HD1 ILE 98 1.069 -7.120 -6.615 759 HD12 ILE 98 2HD1 ILE 98 0.724 -7.791 -8.204 760 HD13 ILE 98 3HD1 ILE 98 1.721 -8.693 -7.069 761 H PHE 99 HN PHE 99 -0.182 -5.555 -3.032 762 HA PHE 99 HA PHE 99 -2.396 -6.316 -1.252 763 HB2 PHE 99 2HB PHE 99 -0.162 -5.964 -0.147 764 HB3 PHE 99 1HB PHE 99 -0.198 -4.300 -0.727 765 HD1 PHE 99 1HD PHE 99 -1.288 -6.576 1.821 766 HD2 PHE 99 2HD PHE 99 -2.221 -2.840 -0.079 767 HE1 PHE 99 1HE PHE 99 -2.707 -5.945 3.751 768 HE2 PHE 99 2HE PHE 99 -3.637 -2.209 1.853 769 HZ PHE 99 HZ PHE 99 -3.881 -3.761 3.769 770 H TYR 100 HN TYR 100 -4.179 -5.115 -1.434 771 HA TYR 100 HA TYR 100 -3.975 -2.462 -2.732 772 HB2 TYR 100 2HB TYR 100 -4.764 -3.912 -4.450 773 HB3 TYR 100 1HB TYR 100 -5.855 -4.744 -3.349 774 HD1 TYR 100 1HD TYR 100 -5.140 -1.205 -4.390 775 HD2 TYR 100 2HD TYR 100 -8.102 -4.206 -3.566 776 HE1 TYR 100 1HE TYR 100 -6.932 0.399 -4.990 777 HE2 TYR 100 2HE TYR 100 -9.892 -2.601 -4.161 778 HH TYR 100 HH TYR 100 -9.115 0.663 -5.353 779 H SER 101 HN SER 101 -5.574 -0.972 -2.089 780 HA SER 101 HA SER 101 -7.434 -1.738 -0.005 781 HB2 SER 101 2HB SER 101 -6.119 -1.183 1.724 782 HB3 SER 101 1HB SER 101 -4.849 -0.642 0.631 783 HG SER 101 HG SER 101 -5.794 1.361 0.551 784 H GLU 102 HN GLU 102 -9.075 -0.306 0.295 785 HA GLU 102 HA GLU 102 -9.002 2.202 -1.254 786 HB2 GLU 102 2HB GLU 102 -11.624 1.231 -1.479 787 HB3 GLU 102 1HB GLU 102 -10.426 1.365 -2.768 788 HG2 GLU 102 2HG GLU 102 -9.570 -0.869 -2.219 789 HG3 GLU 102 1HG GLU 102 -10.747 -1.012 -0.916 790 H GLY 103 HN GLY 103 -10.462 3.775 -0.542 791 HA2 GLY 103 2HA GLY 103 -12.291 3.469 1.579 792 HA3 GLY 103 1HA GLY 103 -10.750 3.999 2.248 793 H GLU 104 HN GLU 104 -11.412 6.024 2.862 794 HA GLU 104 HA GLU 104 -11.823 7.929 0.669 795 HB2 GLU 104 2HB GLU 104 -13.793 7.204 2.649 796 HB3 GLU 104 1HB GLU 104 -13.337 8.898 2.843 797 HG2 GLU 104 2HG GLU 104 -15.184 8.742 1.260 798 HG3 GLU 104 1HG GLU 104 -13.730 9.246 0.404 799 H LEU 105 HN LEU 105 -10.833 9.906 0.984 800 HA LEU 105 HA LEU 105 -9.515 10.368 3.577 801 HB2 LEU 105 2HB LEU 105 -7.955 9.430 1.772 802 HB3 LEU 105 1HB LEU 105 -8.188 10.963 0.932 803 HG LEU 105 HG LEU 105 -7.616 11.943 3.351 804 HD11 LEU 105 1HD1 LEU 105 -5.885 9.474 3.288 805 HD12 LEU 105 2HD1 LEU 105 -7.417 9.491 4.159 806 HD13 LEU 105 3HD1 LEU 105 -6.131 10.609 4.614 807 HD21 LEU 105 1HD2 LEU 105 -5.561 10.876 1.387 808 HD22 LEU 105 2HD2 LEU 105 -5.262 12.127 2.593 809 HD23 LEU 105 3HD2 LEU 105 -6.388 12.430 1.271 810 H HIS 106 HN HIS 106 -10.637 12.061 4.296 811 HA HIS 106 HA HIS 106 -11.394 14.204 4.483 812 HB2 HIS 106 2HB HIS 106 -9.928 14.863 1.932 813 HB3 HIS 106 1HB HIS 106 -10.365 15.950 3.248 814 HD1 HIS 106 1HD HIS 106 -9.427 13.409 5.266 815 HD2 HIS 106 2HD HIS 106 -7.161 15.672 2.597 816 HE1 HIS 106 1HE HIS 106 -7.021 13.230 6.038 817 H GLY 107 HN GLY 107 -12.854 12.169 3.007 818 HA2 GLY 107 2HA GLY 107 -14.995 12.199 2.091 819 HA3 GLY 107 1HA GLY 107 -14.827 13.930 1.819 820 H LYS 108 HN LYS 108 -12.242 11.933 0.730 821 HA LYS 108 HA LYS 108 -13.284 12.023 -2.036 822 HB2 LYS 108 2HB LYS 108 -10.428 12.530 -1.164 823 HB3 LYS 108 1HB LYS 108 -11.017 12.535 -2.825 824 HG2 LYS 108 2HG LYS 108 -11.976 14.402 -0.633 825 HG3 LYS 108 1HG LYS 108 -10.816 14.833 -1.887 826 HD2 LYS 108 2HD LYS 108 -12.830 13.852 -3.426 827 HD3 LYS 108 1HD LYS 108 -13.756 14.493 -2.069 828 HE2 LYS 108 2HE LYS 108 -11.880 15.966 -3.913 829 HE3 LYS 108 1HE LYS 108 -13.567 16.327 -3.550 830 HZ1 LYS 108 1HZ LYS 108 -12.712 17.774 -2.099 831 HZ2 LYS 108 2HZ LYS 108 -11.178 17.043 -2.106 832 HZ3 LYS 108 3HZ LYS 108 -12.413 16.422 -1.119 833 HA PRO 109 HA PRO 109 -12.318 7.671 -1.823 834 HB2 PRO 109 2HB PRO 109 -12.092 7.086 -4.493 835 HB3 PRO 109 1HB PRO 109 -13.644 7.326 -3.667 836 HG2 PRO 109 2HG PRO 109 -12.105 9.202 -5.386 837 HG3 PRO 109 1HG PRO 109 -13.853 8.936 -5.285 838 HD2 PRO 109 2HD PRO 109 -12.605 11.063 -4.101 839 HD3 PRO 109 1HD PRO 109 -14.099 10.341 -3.466 840 H VAL 110 HN VAL 110 -10.474 6.561 -1.468 841 HA VAL 110 HA VAL 110 -8.060 7.303 -2.987 842 HB VAL 110 HB VAL 110 -7.529 8.394 -1.033 843 HG11 VAL 110 1HG1 VAL 110 -9.358 8.175 0.363 844 HG12 VAL 110 2HG1 VAL 110 -8.202 7.162 1.232 845 HG13 VAL 110 3HG1 VAL 110 -9.412 6.420 0.187 846 HG21 VAL 110 1HG2 VAL 110 -5.983 6.367 -1.459 847 HG22 VAL 110 2HG2 VAL 110 -6.811 5.613 -0.093 848 HG23 VAL 110 3HG2 VAL 110 -5.914 7.113 0.137 849 H ARG 111 HN ARG 111 -6.967 5.638 -3.773 850 HA ARG 111 HA ARG 111 -7.208 3.018 -2.499 851 HB2 ARG 111 2HB ARG 111 -7.288 2.689 -5.366 852 HB3 ARG 111 1HB ARG 111 -8.388 2.052 -4.145 853 HG2 ARG 111 2HG ARG 111 -9.618 4.182 -4.116 854 HG3 ARG 111 1HG ARG 111 -8.505 4.852 -5.310 855 HD2 ARG 111 2HD ARG 111 -9.314 3.497 -7.023 856 HD3 ARG 111 1HD ARG 111 -9.931 2.281 -5.906 857 HE ARG 111 HE ARG 111 -11.900 3.511 -5.731 858 HH11 ARG 111 1HH1 ARG 111 -13.271 5.224 -6.324 859 HH12 ARG 111 2HH1 ARG 111 -12.620 6.595 -7.159 860 HH21 ARG 111 1HH2 ARG 111 -9.378 5.368 -7.201 861 HH22 ARG 111 2HH2 ARG 111 -10.418 6.678 -7.655 862 H GLY 112 HN GLY 112 -5.317 1.806 -2.603 863 HA2 GLY 112 2HA GLY 112 -3.242 2.699 -4.492 864 HA3 GLY 112 1HA GLY 112 -2.871 2.710 -2.777 865 H VAL 113 HN VAL 113 -1.689 1.200 -4.981 866 HA VAL 113 HA VAL 113 -2.204 -1.557 -4.052 867 HB VAL 113 HB VAL 113 -0.790 -0.946 -6.611 868 HG11 VAL 113 1HG1 VAL 113 -1.569 -3.088 -7.229 869 HG12 VAL 113 2HG1 VAL 113 -2.894 -3.034 -6.060 870 HG13 VAL 113 3HG1 VAL 113 -1.236 -3.256 -5.500 871 HG21 VAL 113 1HG2 VAL 113 -3.275 -1.160 -7.567 872 HG22 VAL 113 2HG2 VAL 113 -2.582 0.404 -7.140 873 HG23 VAL 113 3HG2 VAL 113 -3.673 -0.412 -6.020 874 H LYS 114 HN LYS 114 -0.486 -2.698 -3.264 875 HA LYS 114 HA LYS 114 2.206 -1.538 -3.607 876 HB2 LYS 114 2HB LYS 114 1.818 -2.945 -1.086 877 HB3 LYS 114 1HB LYS 114 2.487 -1.338 -1.392 878 HG2 LYS 114 2HG LYS 114 0.174 -0.465 -1.697 879 HG3 LYS 114 1HG LYS 114 -0.457 -2.054 -1.289 880 HD2 LYS 114 2HD LYS 114 0.092 -1.866 0.934 881 HD3 LYS 114 1HD LYS 114 1.454 -0.802 0.603 882 HE2 LYS 114 2HE LYS 114 0.112 1.094 0.411 883 HE3 LYS 114 1HE LYS 114 -1.323 0.151 0.008 884 HZ1 LYS 114 1HZ LYS 114 -0.008 0.333 2.663 885 HZ2 LYS 114 2HZ LYS 114 -1.295 -0.714 2.300 886 HZ3 LYS 114 3HZ LYS 114 -1.520 0.970 2.235 887 H LEU 115 HN LEU 115 3.718 -2.972 -4.291 888 HA LEU 115 HA LEU 115 2.989 -5.822 -4.426 889 HB2 LEU 115 2HB LEU 115 3.703 -4.910 -6.564 890 HB3 LEU 115 1HB LEU 115 5.133 -4.199 -5.833 891 HG LEU 115 HG LEU 115 6.083 -6.389 -5.403 892 HD11 LEU 115 1HD1 LEU 115 4.333 -7.808 -4.803 893 HD12 LEU 115 2HD1 LEU 115 4.700 -8.376 -6.434 894 HD13 LEU 115 3HD1 LEU 115 3.334 -7.304 -6.163 895 HD21 LEU 115 1HD2 LEU 115 6.082 -7.331 -7.786 896 HD22 LEU 115 2HD2 LEU 115 6.548 -5.635 -7.627 897 HD23 LEU 115 3HD2 LEU 115 4.928 -6.054 -8.182 898 H VAL 116 HN VAL 116 3.831 -7.142 -2.959 899 HA VAL 116 HA VAL 116 6.348 -6.316 -1.686 900 HB VAL 116 HB VAL 116 5.585 -6.825 0.418 901 HG11 VAL 116 1HG1 VAL 116 2.863 -6.296 -0.739 902 HG12 VAL 116 2HG1 VAL 116 4.118 -5.068 -0.896 903 HG13 VAL 116 3HG1 VAL 116 3.610 -5.610 0.703 904 HG21 VAL 116 1HG2 VAL 116 3.677 -8.678 -1.005 905 HG22 VAL 116 2HG2 VAL 116 3.442 -8.250 0.687 906 HG23 VAL 116 3HG2 VAL 116 4.909 -9.085 0.185 907 H GLY 117 HN GLY 117 7.919 -7.786 -1.423 908 HA2 GLY 117 2HA GLY 117 7.334 -10.581 -2.159 909 HA3 GLY 117 1HA GLY 117 8.652 -9.722 -2.948 910 H ARG 118 HN ARG 118 8.649 -12.127 -1.201 911 HA ARG 118 HA ARG 118 9.874 -11.333 1.289 912 HB2 ARG 118 2HB ARG 118 8.507 -13.484 0.753 913 HB3 ARG 118 1HB ARG 118 10.037 -14.096 0.127 914 HG2 ARG 118 2HG ARG 118 11.046 -13.310 2.378 915 HG3 ARG 118 1HG ARG 118 9.375 -13.236 2.940 916 HD2 ARG 118 2HD ARG 118 10.881 -15.648 1.921 917 HD3 ARG 118 1HD ARG 118 10.159 -15.417 3.510 918 HE ARG 118 HE ARG 118 8.014 -15.226 1.874 919 HH11 ARG 118 1HH1 ARG 118 6.799 -16.992 1.131 920 HH12 ARG 118 2HH1 ARG 118 7.542 -18.550 0.985 921 HH21 ARG 118 1HH2 ARG 118 10.640 -17.468 2.105 922 HH22 ARG 118 2HH2 ARG 118 9.718 -18.819 1.538 923 H ASP 119 HN ASP 119 10.956 -11.709 -1.915 924 HA ASP 119 HA ASP 119 13.688 -12.370 -1.130 925 HB2 ASP 119 2HB ASP 119 14.151 -12.582 -3.472 926 HB3 ASP 119 1HB ASP 119 12.601 -13.364 -3.174 927 HA PRO 120 HA PRO 120 14.846 -8.057 -1.146 928 HB2 PRO 120 2HB PRO 120 17.536 -8.244 -1.411 929 HB3 PRO 120 1HB PRO 120 16.698 -8.729 0.078 930 HG2 PRO 120 2HG PRO 120 17.731 -10.422 -2.148 931 HG3 PRO 120 1HG PRO 120 17.803 -10.693 -0.398 932 HD2 PRO 120 2HD PRO 120 15.954 -11.903 -2.030 933 HD3 PRO 120 1HD PRO 120 15.673 -11.562 -0.307 934 H LYS 121 HN LYS 121 15.684 -10.185 -3.765 935 HA LYS 121 HA LYS 121 16.771 -8.238 -5.539 936 HB2 LYS 121 2HB LYS 121 16.780 -10.905 -5.578 937 HB3 LYS 121 1HB LYS 121 15.372 -10.646 -6.606 938 HG2 LYS 121 2HG LYS 121 17.050 -10.585 -8.201 939 HG3 LYS 121 1HG LYS 121 16.973 -8.875 -7.775 940 HD2 LYS 121 2HD LYS 121 18.798 -9.251 -6.108 941 HD3 LYS 121 1HD LYS 121 18.915 -10.922 -6.661 942 HE2 LYS 121 2HE LYS 121 20.601 -9.677 -7.840 943 HE3 LYS 121 1HE LYS 121 19.310 -10.014 -8.994 944 HZ1 LYS 121 1HZ LYS 121 18.472 -7.835 -8.766 945 HZ2 LYS 121 2HZ LYS 121 20.152 -7.673 -8.971 946 HZ3 LYS 121 3HZ LYS 121 19.460 -7.504 -7.428 947 H ASN 122 HN ASN 122 15.073 -9.093 -7.830 948 HA ASN 122 HA ASN 122 12.509 -7.809 -7.260 949 HB2 ASN 122 2HB ASN 122 12.824 -6.244 -9.191 950 HB3 ASN 122 1HB ASN 122 13.860 -5.895 -7.808 951 HD21 ASN 122 1HD2 ASN 122 16.155 -6.212 -8.050 952 HD22 ASN 122 2HD2 ASN 122 16.863 -6.578 -9.548 953 H ASN 123 HN ASN 123 10.903 -8.283 -8.761 954 HA ASN 123 HA ASN 123 11.612 -10.249 -10.842 955 HB2 ASN 123 2HB ASN 123 9.380 -10.198 -8.833 956 HB3 ASN 123 1HB ASN 123 9.148 -10.999 -10.383 957 HD21 ASN 123 1HD2 ASN 123 9.724 -13.172 -10.359 958 HD22 ASN 123 2HD2 ASN 123 10.885 -13.859 -9.330 959 H LEU 124 HN LEU 124 11.317 -9.387 -12.771 960 HA LEU 124 HA LEU 124 9.835 -6.989 -13.192 961 HB2 LEU 124 2HB LEU 124 10.324 -7.469 -15.629 962 HB3 LEU 124 1HB LEU 124 11.742 -7.359 -14.586 963 HG LEU 124 HG LEU 124 10.724 -10.067 -14.605 964 HD11 LEU 124 1HD1 LEU 124 11.413 -8.824 -17.285 965 HD12 LEU 124 2HD1 LEU 124 9.864 -9.531 -16.827 966 HD13 LEU 124 3HD1 LEU 124 11.289 -10.558 -16.986 967 HD21 LEU 124 1HD2 LEU 124 13.309 -8.884 -15.667 968 HD22 LEU 124 2HD2 LEU 124 13.040 -10.559 -15.187 969 HD23 LEU 124 3HD2 LEU 124 13.017 -9.278 -13.974 970 H GLU 125 HN GLU 125 9.185 -10.387 -13.558 971 HA GLU 125 HA GLU 125 6.830 -10.068 -15.141 972 HB2 GLU 125 2HB GLU 125 6.386 -12.444 -14.231 973 HB3 GLU 125 1HB GLU 125 7.814 -12.202 -15.239 974 HG2 GLU 125 2HG GLU 125 8.223 -11.746 -12.356 975 HG3 GLU 125 1HG GLU 125 7.878 -13.412 -12.806 976 H ALA 126 HN ALA 126 7.556 -10.196 -11.716 977 HA ALA 126 HA ALA 126 4.835 -10.280 -10.851 978 HB1 ALA 126 1HB ALA 126 6.977 -10.888 -9.520 979 HB2 ALA 126 2HB ALA 126 5.683 -10.040 -8.671 980 HB3 ALA 126 3HB ALA 126 7.106 -9.153 -9.222 981 H LEU 127 HN LEU 127 7.240 -7.746 -11.439 982 HA LEU 127 HA LEU 127 5.737 -5.584 -10.465 983 HB2 LEU 127 2HB LEU 127 8.163 -6.001 -11.954 984 HB3 LEU 127 1HB LEU 127 7.235 -4.708 -12.703 985 HG LEU 127 HG LEU 127 7.778 -4.813 -9.728 986 HD11 LEU 127 1HD1 LEU 127 9.913 -4.742 -11.003 987 HD12 LEU 127 2HD1 LEU 127 9.611 -3.238 -10.132 988 HD13 LEU 127 3HD1 LEU 127 9.326 -3.323 -11.870 989 HD21 LEU 127 1HD2 LEU 127 6.785 -2.742 -9.667 990 HD22 LEU 127 2HD2 LEU 127 5.964 -3.343 -11.104 991 HD23 LEU 127 3HD2 LEU 127 7.375 -2.297 -11.266 992 H GLU 128 HN GLU 128 5.829 -7.176 -13.629 993 HA GLU 128 HA GLU 128 4.113 -5.322 -14.928 994 HB2 GLU 128 2HB GLU 128 5.538 -7.598 -15.675 995 HB3 GLU 128 1HB GLU 128 3.849 -8.063 -15.883 996 HG2 GLU 128 2HG GLU 128 3.471 -5.970 -17.187 997 HG3 GLU 128 1HG GLU 128 5.191 -5.610 -17.053 998 H ASP 129 HN ASP 129 3.577 -8.355 -13.185 999 HA ASP 129 HA ASP 129 0.796 -8.528 -13.609 1000 HB2 ASP 129 2HB ASP 129 2.599 -10.137 -12.398 1001 HB3 ASP 129 1HB ASP 129 1.842 -9.415 -10.979 1002 H PHE 130 HN PHE 130 2.727 -6.909 -11.124 1003 HA PHE 130 HA PHE 130 0.509 -5.961 -9.623 1004 HB2 PHE 130 2HB PHE 130 2.593 -5.931 -8.518 1005 HB3 PHE 130 1HB PHE 130 3.407 -5.181 -9.892 1006 HD1 PHE 130 1HD PHE 130 1.353 -4.658 -6.949 1007 HD2 PHE 130 2HD PHE 130 3.024 -2.776 -10.420 1008 HE1 PHE 130 1HE PHE 130 0.896 -2.459 -5.974 1009 HE2 PHE 130 2HE PHE 130 2.558 -0.546 -9.435 1010 HZ PHE 130 HZ PHE 130 1.490 -0.384 -7.199 1011 H GLU 131 HN GLU 131 2.578 -4.606 -12.137 1012 HA GLU 131 HA GLU 131 1.365 -2.090 -12.355 1013 HB2 GLU 131 2HB GLU 131 3.553 -2.930 -13.435 1014 HB3 GLU 131 1HB GLU 131 2.520 -3.581 -14.708 1015 HG2 GLU 131 2HG GLU 131 1.489 -1.218 -14.819 1016 HG3 GLU 131 1HG GLU 131 2.894 -0.702 -13.889 1017 H LYS 132 HN LYS 132 0.226 -5.219 -13.134 1018 HA LYS 132 HA LYS 132 -1.669 -4.251 -15.118 1019 HB2 LYS 132 2HB LYS 132 -0.706 -6.831 -14.216 1020 HB3 LYS 132 1HB LYS 132 -2.469 -6.789 -14.228 1021 HG2 LYS 132 2HG LYS 132 -2.471 -6.024 -16.548 1022 HG3 LYS 132 1HG LYS 132 -0.711 -5.938 -16.550 1023 HD2 LYS 132 2HD LYS 132 -0.951 -8.030 -17.478 1024 HD3 LYS 132 1HD LYS 132 -0.983 -8.495 -15.778 1025 HE2 LYS 132 2HE LYS 132 -2.862 -9.557 -16.871 1026 HE3 LYS 132 1HE LYS 132 -3.493 -8.268 -15.845 1027 HZ1 LYS 132 1HZ LYS 132 -4.466 -8.295 -18.094 1028 HZ2 LYS 132 2HZ LYS 132 -2.929 -7.980 -18.746 1029 HZ3 LYS 132 3HZ LYS 132 -3.678 -6.836 -17.735 1030 H ALA 133 HN ALA 133 -1.492 -5.265 -11.751 1031 HA ALA 133 HA ALA 133 -4.255 -5.007 -11.187 1032 HB1 ALA 133 1HB ALA 133 -2.412 -6.072 -9.719 1033 HB2 ALA 133 2HB ALA 133 -3.670 -5.147 -8.898 1034 HB3 ALA 133 3HB ALA 133 -2.084 -4.427 -9.175 1035 H ALA 134 HN ALA 134 -1.555 -2.691 -10.772 1036 HA ALA 134 HA ALA 134 -3.131 -0.585 -9.831 1037 HB1 ALA 134 1HB ALA 134 -1.091 0.358 -9.743 1038 HB2 ALA 134 2HB ALA 134 -1.077 0.452 -11.502 1039 HB3 ALA 134 3HB ALA 134 -0.428 -0.972 -10.692 1040 H GLY 135 HN GLY 135 -2.179 -1.584 -13.098 1041 HA2 GLY 135 2HA GLY 135 -3.475 0.477 -14.476 1042 HA3 GLY 135 1HA GLY 135 -3.189 -1.139 -15.130 1043 H ALA 136 HN ALA 136 -4.587 -2.770 -13.629 1044 HA ALA 136 HA ALA 136 -7.212 -2.591 -14.504 1045 HB1 ALA 136 1HB ALA 136 -6.114 -4.679 -13.703 1046 HB2 ALA 136 2HB ALA 136 -7.693 -4.415 -12.962 1047 HB3 ALA 136 3HB ALA 136 -6.222 -4.066 -12.054 1048 H ARG 137 HN ARG 137 -5.658 -0.910 -11.966 1049 HA ARG 137 HA ARG 137 -8.279 -0.103 -10.855 1050 HB2 ARG 137 2HB ARG 137 -5.762 -0.854 -9.576 1051 HB3 ARG 137 1HB ARG 137 -6.346 0.726 -9.053 1052 HG2 ARG 137 2HG ARG 137 -7.249 -1.132 -7.655 1053 HG3 ARG 137 1HG ARG 137 -8.518 -0.223 -8.476 1054 HD2 ARG 137 2HD ARG 137 -7.463 -2.473 -10.050 1055 HD3 ARG 137 1HD ARG 137 -8.249 -2.962 -8.551 1056 HE ARG 137 HE ARG 137 -9.753 -1.047 -10.132 1057 HH11 ARG 137 1HH1 ARG 137 -11.721 -1.819 -10.961 1058 HH12 ARG 137 2HH1 ARG 137 -12.058 -3.517 -10.934 1059 HH21 ARG 137 1HH2 ARG 137 -9.041 -4.363 -9.451 1060 HH22 ARG 137 2HH2 ARG 137 -10.541 -4.958 -10.080 1061 H GLY 138 HN GLY 138 -5.966 0.796 -12.956 1062 HA2 GLY 138 2HA GLY 138 -5.484 2.800 -13.993 1063 HA3 GLY 138 1HA GLY 138 -6.793 3.518 -13.061 1064 H LEU 139 HN LEU 139 -3.941 1.902 -11.783 1065 HA LEU 139 HA LEU 139 -2.979 4.477 -10.709 1066 HB2 LEU 139 2HB LEU 139 -2.882 1.802 -9.295 1067 HB3 LEU 139 1HB LEU 139 -2.372 3.360 -8.644 1068 HG LEU 139 HG LEU 139 -5.204 2.737 -9.544 1069 HD11 LEU 139 1HD1 LEU 139 -5.717 2.677 -7.109 1070 HD12 LEU 139 2HD1 LEU 139 -3.989 2.779 -6.767 1071 HD13 LEU 139 3HD1 LEU 139 -4.642 1.371 -7.602 1072 HD21 LEU 139 1HD2 LEU 139 -3.850 5.096 -8.241 1073 HD22 LEU 139 2HD2 LEU 139 -5.568 4.799 -7.986 1074 HD23 LEU 139 3HD2 LEU 139 -4.956 5.076 -9.613 1075 H SER 140 HN SER 140 -2.297 2.764 -13.098 1076 HA SER 140 HA SER 140 0.439 1.912 -12.450 1077 HB2 SER 140 2HB SER 140 0.462 0.956 -14.690 1078 HB3 SER 140 1HB SER 140 -0.999 0.450 -13.848 1079 HG SER 140 HG SER 140 -2.040 2.257 -14.913 1080 H THR 141 HN THR 141 -0.458 4.772 -12.522 1081 HA THR 141 HA THR 141 1.746 5.739 -14.179 1082 HB THR 141 HB THR 141 0.121 7.612 -14.976 1083 HG1 THR 141 1HG THR 141 -1.817 7.268 -14.274 1084 HG21 THR 141 1HG2 THR 141 -0.435 6.294 -16.972 1085 HG22 THR 141 2HG2 THR 141 -0.081 4.804 -16.099 1086 HG23 THR 141 3HG2 THR 141 1.214 5.949 -16.450 1087 H GLU 142 HN GLU 142 0.540 5.566 -11.269 1088 HA GLU 142 HA GLU 142 0.395 8.332 -10.464 1089 HB2 GLU 142 2HB GLU 142 0.866 6.006 -8.603 1090 HB3 GLU 142 1HB GLU 142 0.031 7.525 -8.277 1091 HG2 GLU 142 2HG GLU 142 -0.926 5.092 -9.692 1092 HG3 GLU 142 1HG GLU 142 -1.780 6.137 -8.574 1093 H SER 143 HN SER 143 2.049 7.202 -8.007 1094 HA SER 143 HA SER 143 4.485 8.592 -8.749 1095 HB2 SER 143 2HB SER 143 3.271 7.581 -6.282 1096 HB3 SER 143 1HB SER 143 5.020 7.448 -6.329 1097 HG SER 143 HG SER 143 4.415 9.805 -7.320 1098 H ILE 144 HN ILE 144 3.513 5.196 -8.123 1099 HA ILE 144 HA ILE 144 4.740 3.293 -8.177 1100 HB ILE 144 HB ILE 144 5.861 4.520 -10.668 1101 HG12 ILE 144 2HG1 ILE 144 3.506 4.953 -10.742 1102 HG13 ILE 144 1HG1 ILE 144 3.789 3.531 -11.743 1103 HG21 ILE 144 1HG2 ILE 144 6.730 2.298 -9.940 1104 HG22 ILE 144 2HG2 ILE 144 5.856 2.217 -11.469 1105 HG23 ILE 144 3HG2 ILE 144 5.080 1.678 -9.982 1106 HD11 ILE 144 1HD1 ILE 144 3.302 2.179 -9.593 1107 HD12 ILE 144 2HD1 ILE 144 1.935 2.925 -10.417 1108 HD13 ILE 144 3HD1 ILE 144 2.615 3.679 -8.977 1109 H LEU 145 HN LEU 145 5.987 3.403 -6.465 1110 HA LEU 145 HA LEU 145 8.788 4.220 -6.937 1111 HB2 LEU 145 2HB LEU 145 7.700 5.477 -5.092 1112 HB3 LEU 145 1HB LEU 145 7.347 3.947 -4.294 1113 HG LEU 145 HG LEU 145 9.993 3.570 -4.550 1114 HD11 LEU 145 1HD1 LEU 145 11.299 5.415 -4.883 1115 HD12 LEU 145 2HD1 LEU 145 10.112 6.517 -4.179 1116 HD13 LEU 145 3HD1 LEU 145 9.897 5.926 -5.826 1117 HD21 LEU 145 1HD2 LEU 145 9.428 5.637 -2.499 1118 HD22 LEU 145 2HD2 LEU 145 10.214 4.077 -2.330 1119 HD23 LEU 145 3HD2 LEU 145 8.460 4.170 -2.403 1120 H ILE 146 HN ILE 146 10.158 2.627 -7.113 1121 HA ILE 146 HA ILE 146 9.498 0.027 -5.888 1122 HB ILE 146 HB ILE 146 11.020 0.536 -8.460 1123 HG12 ILE 146 2HG1 ILE 146 8.735 -1.239 -8.565 1124 HG13 ILE 146 1HG1 ILE 146 8.270 0.342 -7.937 1125 HG21 ILE 146 1HG2 ILE 146 11.978 -1.468 -8.118 1126 HG22 ILE 146 2HG2 ILE 146 10.371 -2.187 -8.162 1127 HG23 ILE 146 3HG2 ILE 146 11.077 -1.702 -6.623 1128 HD11 ILE 146 1HD1 ILE 146 9.811 -0.150 -10.502 1129 HD12 ILE 146 2HD1 ILE 146 9.355 1.431 -9.868 1130 HD13 ILE 146 3HD1 ILE 146 8.110 0.301 -10.397 1131 HA PRO 147 HA PRO 147 14.070 0.802 -5.072 1132 HB2 PRO 147 2HB PRO 147 15.265 3.108 -5.723 1133 HB3 PRO 147 1HB PRO 147 14.931 1.863 -6.942 1134 HG2 PRO 147 2HG PRO 147 13.560 4.437 -6.444 1135 HG3 PRO 147 1HG PRO 147 13.801 3.555 -7.960 1136 HD2 PRO 147 2HD PRO 147 11.460 3.555 -6.343 1137 HD3 PRO 147 1HD PRO 147 11.787 2.531 -7.753 1138 H ARG 148 HN ARG 148 15.402 1.888 -3.542 1139 HA ARG 148 HA ARG 148 16.016 2.890 -1.684 1140 HB2 ARG 148 2HB ARG 148 13.852 4.749 -2.527 1141 HB3 ARG 148 1HB ARG 148 14.336 4.781 -0.845 1142 HG2 ARG 148 2HG ARG 148 15.722 6.362 -1.958 1143 HG3 ARG 148 1HG ARG 148 16.736 4.960 -1.620 1144 HD2 ARG 148 2HD ARG 148 17.086 5.730 -3.922 1145 HD3 ARG 148 1HD ARG 148 16.337 4.137 -3.922 1146 HE ARG 148 HE ARG 148 14.171 5.668 -4.100 1147 HH11 ARG 148 1HH1 ARG 148 13.340 6.709 -5.936 1148 HH12 ARG 148 2HH1 ARG 148 14.403 7.153 -7.230 1149 HH21 ARG 148 1HH2 ARG 148 17.243 5.904 -5.687 1150 HH22 ARG 148 2HH2 ARG 148 16.608 6.699 -7.088 1151 H GLN 149 HN GLN 149 15.892 1.127 -0.641 1152 HA GLN 149 HA GLN 149 13.472 0.607 0.963 1153 HB2 GLN 149 2HB GLN 149 15.578 -1.413 0.164 1154 HB3 GLN 149 1HB GLN 149 14.046 -1.739 0.969 1155 HG2 GLN 149 2HG GLN 149 13.986 -0.350 -1.691 1156 HG3 GLN 149 1HG GLN 149 14.308 -2.078 -1.651 1157 HE21 GLN 149 1HE2 GLN 149 11.812 0.103 -1.913 1158 HE22 GLN 149 2HE2 GLN 149 10.543 -0.866 -1.326 1159 H SER 150 HN SER 150 15.193 2.480 1.913 1160 HA SER 150 HA SER 150 17.426 1.734 3.356 1161 HB2 SER 150 2HB SER 150 17.229 3.966 3.622 1162 HB3 SER 150 1HB SER 150 15.477 3.920 3.460 1163 HG SER 150 HG SER 150 16.923 3.098 5.763 1164 H GLU 151 HN GLU 151 17.313 -0.257 4.374 1165 HA GLU 151 HA GLU 151 15.193 -1.180 5.945 1166 HB2 GLU 151 2HB GLU 151 18.122 -1.855 6.257 1167 HB3 GLU 151 1HB GLU 151 16.754 -2.831 6.794 1168 HG2 GLU 151 2HG GLU 151 16.827 -3.842 4.780 1169 HG3 GLU 151 1HG GLU 151 16.219 -2.334 4.100 1170 H THR 152 HN THR 152 16.782 1.555 6.541 1171 HA THR 152 HA THR 152 16.229 1.404 9.403 1172 HB THR 152 HB THR 152 18.393 2.341 10.008 1173 HG1 THR 152 1HG THR 152 18.485 2.981 7.496 1174 HG21 THR 152 1HG2 THR 152 19.729 0.378 9.691 1175 HG22 THR 152 2HG2 THR 152 18.857 -0.050 8.218 1176 HG23 THR 152 3HG2 THR 152 18.053 -0.165 9.784 1177 H CYS 153 HN CYS 153 14.704 2.952 9.491 1178 HA CYS 153 HA CYS 153 14.158 5.082 7.938 1179 HB2 CYS 153 2HB CYS 153 12.846 4.514 9.924 1180 HB3 CYS 153 1HB CYS 153 14.149 5.087 10.966 1181 H SER 154 HN SER 154 15.498 6.532 7.055 1182 HA SER 154 HA SER 154 17.265 8.056 8.832 1183 HB2 SER 154 2HB SER 154 18.197 6.804 6.246 1184 HB3 SER 154 1HB SER 154 19.149 7.846 7.300 1185 HG SER 154 HG SER 154 18.302 6.064 8.906 1186 HA PRO 155 HA PRO 155 15.217 10.926 5.941 1187 HB2 PRO 155 2HB PRO 155 15.371 13.169 7.471 1188 HB3 PRO 155 1HB PRO 155 14.153 11.909 7.739 1189 HG2 PRO 155 2HG PRO 155 16.636 12.487 9.241 1190 HG3 PRO 155 1HG PRO 155 15.082 11.866 9.817 1191 HD2 PRO 155 2HD PRO 155 17.363 10.320 9.340 1192 HD3 PRO 155 1HD PRO 155 15.707 9.692 9.486 1193 H GLY 156 HN GLY 156 15.883 13.033 4.915 1194 HA2 GLY 156 2HA GLY 156 18.727 12.953 4.321 1195 HA3 GLY 156 1HA GLY 156 17.515 13.940 3.512 1196 H SER 157 HN SER 157 17.161 16.018 4.181 1197 HA SER 157 HA SER 157 19.140 17.476 5.421 1198 HB2 SER 157 2HB SER 157 16.973 18.231 4.156 1199 HB3 SER 157 1HB SER 157 16.278 18.299 5.773 1200 HG SER 157 HG SER 157 18.305 19.541 6.261 1201 H ASP 158 HN ASP 158 19.934 17.412 7.415 1202 HA ASP 158 HA ASP 158 18.107 17.218 9.694 1203 HB2 ASP 158 2HB ASP 158 19.022 15.313 10.634 1204 HB3 ASP 158 1HB ASP 158 19.093 14.900 8.922 Start of MODEL 8 1 H1 HIS 1 1HT HIS 1 -5.060 -15.734 -12.990 2 H2 HIS 1 2HT HIS 1 -5.779 -16.724 -14.168 3 H3 HIS 1 3HT HIS 1 -4.250 -17.120 -13.538 4 HA HIS 1 HA HIS 1 -6.444 -18.287 -12.696 5 HB2 HIS 1 2HB HIS 1 -3.863 -18.322 -11.961 6 HB3 HIS 1 1HB HIS 1 -4.534 -17.528 -10.535 7 HD1 HIS 1 1HD HIS 1 -4.798 -20.732 -12.528 8 HD2 HIS 1 2HD HIS 1 -6.062 -19.197 -8.864 9 HE1 HIS 1 1HE HIS 1 -5.771 -22.679 -11.234 10 H HIS 2 HN HIS 2 -6.894 -18.036 -9.999 11 HA HIS 2 HA HIS 2 -7.847 -15.296 -9.542 12 HB2 HIS 2 2HB HIS 2 -9.651 -16.720 -10.668 13 HB3 HIS 2 1HB HIS 2 -9.696 -17.651 -9.172 14 HD1 HIS 2 1HD HIS 2 -10.923 -16.637 -7.202 15 HD2 HIS 2 2HD HIS 2 -10.385 -13.911 -10.309 16 HE1 HIS 2 1HE HIS 2 -12.272 -14.582 -6.593 17 H LEU 3 HN LEU 3 -9.563 -17.041 -7.473 18 HA LEU 3 HA LEU 3 -9.371 -17.669 -5.273 19 HB2 LEU 3 2HB LEU 3 -7.472 -19.090 -6.350 20 HB3 LEU 3 1HB LEU 3 -6.395 -17.922 -5.586 21 HG LEU 3 HG LEU 3 -7.943 -18.399 -3.476 22 HD11 LEU 3 1HD1 LEU 3 -8.984 -20.478 -3.425 23 HD12 LEU 3 2HD1 LEU 3 -7.958 -21.137 -4.700 24 HD13 LEU 3 3HD1 LEU 3 -9.258 -20.015 -5.104 25 HD21 LEU 3 1HD2 LEU 3 -5.680 -20.101 -4.546 26 HD22 LEU 3 2HD2 LEU 3 -6.330 -20.311 -2.919 27 HD23 LEU 3 3HD2 LEU 3 -5.584 -18.781 -3.381 28 H LEU 4 HN LEU 4 -9.944 -15.578 -4.563 29 HA LEU 4 HA LEU 4 -7.941 -13.552 -4.152 30 HB2 LEU 4 2HB LEU 4 -10.732 -13.611 -4.297 31 HB3 LEU 4 1HB LEU 4 -10.406 -13.195 -2.622 32 HG LEU 4 HG LEU 4 -9.121 -11.780 -4.978 33 HD11 LEU 4 1HD1 LEU 4 -11.593 -11.485 -4.924 34 HD12 LEU 4 2HD1 LEU 4 -10.726 -9.988 -4.580 35 HD13 LEU 4 3HD1 LEU 4 -11.462 -10.903 -3.264 36 HD21 LEU 4 1HD2 LEU 4 -8.195 -11.845 -2.467 37 HD22 LEU 4 2HD2 LEU 4 -9.448 -10.628 -2.234 38 HD23 LEU 4 3HD2 LEU 4 -8.167 -10.360 -3.413 39 H ALA 5 HN ALA 5 -6.404 -14.691 -2.918 40 HA ALA 5 HA ALA 5 -5.362 -15.467 -1.025 41 HB1 ALA 5 1HB ALA 5 -6.566 -12.973 -0.504 42 HB2 ALA 5 2HB ALA 5 -5.186 -13.699 0.318 43 HB3 ALA 5 3HB ALA 5 -6.815 -13.960 0.936 44 H SER 6 HN SER 6 -5.489 -17.251 0.154 45 HA SER 6 HA SER 6 -7.892 -18.695 0.498 46 HB2 SER 6 2HB SER 6 -5.078 -18.992 1.269 47 HB3 SER 6 1HB SER 6 -6.202 -19.708 2.419 48 HG SER 6 HG SER 6 -6.829 -21.114 0.947 49 H ASP 7 HN ASP 7 -9.169 -19.061 2.348 50 HA ASP 7 HA ASP 7 -9.476 -16.796 4.073 51 HB2 ASP 7 2HB ASP 7 -11.255 -18.511 3.212 52 HB3 ASP 7 1HB ASP 7 -10.755 -19.453 4.616 53 H GLU 8 HN GLU 8 -8.976 -20.225 4.940 54 HA GLU 8 HA GLU 8 -8.305 -19.950 7.573 55 HB2 GLU 8 2HB GLU 8 -6.602 -21.912 6.984 56 HB3 GLU 8 1HB GLU 8 -8.348 -22.166 6.949 57 HG2 GLU 8 2HG GLU 8 -6.999 -21.155 4.474 58 HG3 GLU 8 1HG GLU 8 -6.845 -22.864 4.881 59 H GLU 9 HN GLU 9 -5.579 -20.748 5.519 60 HA GLU 9 HA GLU 9 -4.057 -18.510 6.722 61 HB2 GLU 9 2HB GLU 9 -3.284 -21.357 6.126 62 HB3 GLU 9 1HB GLU 9 -2.061 -20.091 6.242 63 HG2 GLU 9 2HG GLU 9 -2.600 -19.620 8.500 64 HG3 GLU 9 1HG GLU 9 -4.135 -20.481 8.400 65 H ILE 10 HN ILE 10 -2.412 -17.552 5.380 66 HA ILE 10 HA ILE 10 -3.082 -17.722 2.514 67 HB ILE 10 HB ILE 10 -1.372 -15.583 3.750 68 HG12 ILE 10 2HG1 ILE 10 -4.405 -15.671 3.670 69 HG13 ILE 10 1HG1 ILE 10 -3.407 -15.672 5.125 70 HG21 ILE 10 1HG2 ILE 10 -1.922 -14.367 1.831 71 HG22 ILE 10 2HG2 ILE 10 -3.401 -15.286 1.554 72 HG23 ILE 10 3HG2 ILE 10 -1.833 -16.013 1.204 73 HD11 ILE 10 1HD1 ILE 10 -4.145 -13.426 3.361 74 HD12 ILE 10 2HD1 ILE 10 -2.436 -13.475 3.795 75 HD13 ILE 10 3HD1 ILE 10 -3.665 -13.415 5.059 76 H GLN 11 HN GLN 11 -1.432 -19.711 3.812 77 HA GLN 11 HA GLN 11 0.584 -20.794 3.574 78 HB2 GLN 11 2HB GLN 11 0.253 -19.327 0.968 79 HB3 GLN 11 1HB GLN 11 1.684 -20.311 1.274 80 HG2 GLN 11 2HG GLN 11 -1.036 -21.460 1.815 81 HG3 GLN 11 1HG GLN 11 -0.435 -21.404 0.159 82 HE21 GLN 11 1HE2 GLN 11 0.944 -23.088 -0.458 83 HE22 GLN 11 2HE2 GLN 11 1.701 -24.156 0.623 84 H ASP 12 HN ASP 12 1.721 -18.081 1.668 85 HA ASP 12 HA ASP 12 3.748 -17.545 3.742 86 HB2 ASP 12 2HB ASP 12 3.760 -17.587 0.813 87 HB3 ASP 12 1HB ASP 12 4.529 -16.155 1.497 88 H VAL 13 HN VAL 13 3.475 -15.811 4.957 89 HA VAL 13 HA VAL 13 2.962 -13.230 3.971 90 HB VAL 13 HB VAL 13 0.628 -14.407 3.803 91 HG11 VAL 13 1HG1 VAL 13 0.798 -15.260 6.197 92 HG12 VAL 13 2HG1 VAL 13 -0.697 -14.424 5.783 93 HG13 VAL 13 3HG1 VAL 13 0.546 -13.592 6.714 94 HG21 VAL 13 1HG2 VAL 13 -0.467 -12.285 4.276 95 HG22 VAL 13 2HG2 VAL 13 1.084 -11.974 3.503 96 HG23 VAL 13 3HG2 VAL 13 0.908 -11.760 5.247 97 H SER 14 HN SER 14 2.505 -15.363 6.774 98 HA SER 14 HA SER 14 2.883 -13.375 8.748 99 HB2 SER 14 2HB SER 14 3.778 -15.807 9.816 100 HB3 SER 14 1HB SER 14 2.163 -15.116 9.952 101 HG SER 14 HG SER 14 2.836 -17.313 8.723 102 H GLY 15 HN GLY 15 4.687 -12.119 8.637 103 HA2 GLY 15 2HA GLY 15 7.055 -12.628 9.713 104 HA3 GLY 15 1HA GLY 15 7.290 -13.356 8.129 105 H THR 16 HN THR 16 9.023 -11.767 7.938 106 HA THR 16 HA THR 16 8.224 -8.983 7.576 107 HB THR 16 HB THR 16 10.988 -9.947 6.992 108 HG1 THR 16 1HG THR 16 10.522 -11.017 8.886 109 HG21 THR 16 1HG2 THR 16 10.016 -7.519 6.917 110 HG22 THR 16 2HG2 THR 16 11.586 -7.790 7.673 111 HG23 THR 16 3HG2 THR 16 10.146 -7.603 8.673 112 H TRP 17 HN TRP 17 8.281 -7.881 5.648 113 HA TRP 17 HA TRP 17 8.905 -9.409 3.220 114 HB2 TRP 17 2HB TRP 17 6.356 -7.901 3.816 115 HB3 TRP 17 1HB TRP 17 6.852 -8.325 2.178 116 HD1 TRP 17 1HD TRP 17 6.247 -10.100 5.570 117 HE1 TRP 17 1HE TRP 17 5.352 -12.467 5.088 118 HE3 TRP 17 3HE TRP 17 6.389 -10.073 0.473 119 HZ2 TRP 17 2HZ TRP 17 4.774 -14.132 2.830 120 HZ3 TRP 17 3HZ TRP 17 5.659 -12.056 -0.821 121 HH2 TRP 17 2HH TRP 17 4.847 -14.082 0.352 122 H TYR 18 HN TYR 18 8.743 -7.812 1.273 123 HA TYR 18 HA TYR 18 9.872 -5.199 2.049 124 HB2 TYR 18 2HB TYR 18 10.990 -7.287 0.220 125 HB3 TYR 18 1HB TYR 18 11.218 -5.591 -0.205 126 HD1 TYR 18 1HD TYR 18 12.610 -8.278 1.587 127 HD2 TYR 18 2HD TYR 18 11.919 -4.047 1.865 128 HE1 TYR 18 1HE TYR 18 14.438 -8.088 3.253 129 HE2 TYR 18 2HE TYR 18 13.748 -3.856 3.525 130 HH TYR 18 HH TYR 18 15.062 -6.491 5.122 131 H LEU 19 HN LEU 19 9.638 -3.575 0.204 132 HA LEU 19 HA LEU 19 7.217 -4.186 -1.362 133 HB2 LEU 19 2HB LEU 19 6.954 -2.445 0.397 134 HB3 LEU 19 1HB LEU 19 8.246 -1.517 -0.358 135 HG LEU 19 HG LEU 19 6.090 -2.361 -2.195 136 HD11 LEU 19 1HD1 LEU 19 4.618 -1.892 -0.397 137 HD12 LEU 19 2HD1 LEU 19 4.674 -0.394 -1.319 138 HD13 LEU 19 3HD1 LEU 19 5.605 -0.544 0.167 139 HD21 LEU 19 1HD2 LEU 19 6.553 -0.299 -3.200 140 HD22 LEU 19 2HD2 LEU 19 8.115 -0.711 -2.507 141 HD23 LEU 19 3HD2 LEU 19 7.061 0.439 -1.684 142 H LYS 20 HN LYS 20 7.624 -4.392 -3.469 143 HA LYS 20 HA LYS 20 10.129 -3.268 -4.537 144 HB2 LYS 20 2HB LYS 20 8.451 -5.161 -6.102 145 HB3 LYS 20 1HB LYS 20 10.205 -5.026 -6.000 146 HG2 LYS 20 2HG LYS 20 10.127 -5.950 -3.689 147 HG3 LYS 20 1HG LYS 20 8.379 -6.119 -3.828 148 HD2 LYS 20 2HD LYS 20 9.126 -8.247 -4.425 149 HD3 LYS 20 1HD LYS 20 8.887 -7.465 -5.982 150 HE2 LYS 20 2HE LYS 20 11.520 -6.817 -5.285 151 HE3 LYS 20 1HE LYS 20 11.332 -8.504 -4.808 152 HZ1 LYS 20 1HZ LYS 20 10.149 -7.892 -7.351 153 HZ2 LYS 20 2HZ LYS 20 11.194 -9.158 -6.914 154 HZ3 LYS 20 3HZ LYS 20 11.825 -7.633 -7.317 155 H ALA 21 HN ALA 21 6.837 -2.570 -4.550 156 HA ALA 21 HA ALA 21 7.187 -0.512 -6.517 157 HB1 ALA 21 1HB ALA 21 6.132 -1.351 -8.335 158 HB2 ALA 21 2HB ALA 21 4.970 -2.260 -7.372 159 HB3 ALA 21 3HB ALA 21 6.586 -2.912 -7.656 160 H MET 22 HN MET 22 5.685 1.106 -6.228 161 HA MET 22 HA MET 22 3.345 0.504 -4.571 162 HB2 MET 22 2HB MET 22 4.858 1.253 -2.925 163 HB3 MET 22 1HB MET 22 5.526 2.493 -3.978 164 HG2 MET 22 2HG MET 22 3.792 3.942 -3.585 165 HG3 MET 22 1HG MET 22 2.608 2.655 -3.372 166 HE1 MET 22 1HE MET 22 2.549 5.068 -1.940 167 HE2 MET 22 2HE MET 22 4.167 5.482 -1.378 168 HE3 MET 22 3HE MET 22 2.927 5.034 -0.211 169 H THR 23 HN THR 23 1.843 0.921 -6.064 170 HA THR 23 HA THR 23 1.940 3.064 -7.943 171 HB THR 23 HB THR 23 -0.056 1.049 -7.044 172 HG1 THR 23 1HG THR 23 1.468 1.179 -8.976 173 HG21 THR 23 1HG2 THR 23 -0.812 3.705 -8.257 174 HG22 THR 23 2HG2 THR 23 -1.524 2.887 -6.867 175 HG23 THR 23 3HG2 THR 23 -1.789 2.257 -8.492 176 H VAL 24 HN VAL 24 1.335 5.167 -7.712 177 HA VAL 24 HA VAL 24 -0.108 5.911 -5.233 178 HB VAL 24 HB VAL 24 1.822 7.903 -6.219 179 HG11 VAL 24 1HG1 VAL 24 1.468 6.693 -3.470 180 HG12 VAL 24 2HG1 VAL 24 0.389 7.939 -4.099 181 HG13 VAL 24 3HG1 VAL 24 2.106 8.286 -3.881 182 HG21 VAL 24 1HG2 VAL 24 2.682 5.220 -5.134 183 HG22 VAL 24 2HG2 VAL 24 3.695 6.654 -5.008 184 HG23 VAL 24 3HG2 VAL 24 3.253 6.022 -6.594 185 H ASP 25 HN ASP 25 -2.062 6.388 -6.086 186 HA ASP 25 HA ASP 25 -2.827 7.354 -8.481 187 HB2 ASP 25 2HB ASP 25 -3.942 7.332 -5.865 188 HB3 ASP 25 1HB ASP 25 -4.223 8.932 -6.547 189 H ARG 26 HN ARG 26 -2.853 9.261 -9.585 190 HA ARG 26 HA ARG 26 -0.860 11.203 -8.891 191 HB2 ARG 26 2HB ARG 26 -2.899 11.356 -11.117 192 HB3 ARG 26 1HB ARG 26 -1.340 12.178 -11.026 193 HG2 ARG 26 2HG ARG 26 -0.493 10.404 -12.161 194 HG3 ARG 26 1HG ARG 26 -0.668 9.512 -10.654 195 HD2 ARG 26 2HD ARG 26 -1.746 8.355 -12.574 196 HD3 ARG 26 1HD ARG 26 -2.888 8.756 -11.299 197 HE ARG 26 HE ARG 26 -3.944 10.215 -12.772 198 HH11 ARG 26 1HH1 ARG 26 -4.237 11.156 -14.816 199 HH12 ARG 26 2HH1 ARG 26 -2.973 11.065 -15.996 200 HH21 ARG 26 1HH2 ARG 26 -0.819 9.293 -13.938 201 HH22 ARG 26 2HH2 ARG 26 -1.038 10.009 -15.499 202 H GLU 27 HN GLU 27 -3.764 10.705 -7.635 203 HA GLU 27 HA GLU 27 -4.648 13.499 -7.572 204 HB2 GLU 27 2HB GLU 27 -5.893 11.016 -6.359 205 HB3 GLU 27 1HB GLU 27 -6.620 12.622 -6.401 206 HG2 GLU 27 2HG GLU 27 -6.220 12.442 -8.986 207 HG3 GLU 27 1HG GLU 27 -6.129 10.710 -8.668 208 H PHE 28 HN PHE 28 -2.168 12.989 -6.442 209 HA PHE 28 HA PHE 28 -2.605 13.947 -3.750 210 HB2 PHE 28 2HB PHE 28 -1.766 11.146 -4.265 211 HB3 PHE 28 1HB PHE 28 -0.862 12.017 -3.028 212 HD1 PHE 28 1HD PHE 28 -3.677 10.001 -3.561 213 HD2 PHE 28 2HD PHE 28 -2.430 13.511 -1.418 214 HE1 PHE 28 1HE PHE 28 -5.538 9.684 -1.956 215 HE2 PHE 28 2HE PHE 28 -4.293 13.191 0.187 216 HZ PHE 28 HZ PHE 28 -5.846 11.278 -0.082 217 HA PRO 29 HA PRO 29 1.282 15.361 -5.793 218 HB2 PRO 29 2HB PRO 29 0.661 17.976 -6.065 219 HB3 PRO 29 1HB PRO 29 0.092 16.751 -7.214 220 HG2 PRO 29 2HG PRO 29 -1.381 18.134 -5.045 221 HG3 PRO 29 1HG PRO 29 -1.951 17.575 -6.626 222 HD2 PRO 29 2HD PRO 29 -2.320 16.237 -4.171 223 HD3 PRO 29 1HD PRO 29 -2.567 15.540 -5.787 224 H GLU 30 HN GLU 30 1.659 14.719 -3.342 225 HA GLU 30 HA GLU 30 3.078 16.878 -2.132 226 HB2 GLU 30 2HB GLU 30 1.066 17.685 -1.237 227 HB3 GLU 30 1HB GLU 30 0.422 16.063 -0.980 228 HG2 GLU 30 2HG GLU 30 1.740 15.694 0.911 229 HG3 GLU 30 1HG GLU 30 2.924 16.913 0.446 230 H MET 31 HN MET 31 1.368 13.901 -1.137 231 HA MET 31 HA MET 31 3.478 13.004 0.553 232 HB2 MET 31 2HB MET 31 1.361 11.258 -0.710 233 HB3 MET 31 1HB MET 31 2.193 11.021 0.827 234 HG2 MET 31 2HG MET 31 0.278 13.285 0.188 235 HG3 MET 31 1HG MET 31 -0.083 11.886 1.199 236 HE1 MET 31 1HE MET 31 1.271 12.518 4.519 237 HE2 MET 31 2HE MET 31 1.418 11.237 3.319 238 HE3 MET 31 3HE MET 31 -0.127 12.052 3.541 239 H ASN 32 HN ASN 32 5.431 12.814 -0.460 240 HA ASN 32 HA ASN 32 5.564 10.981 -2.786 241 HB2 ASN 32 2HB ASN 32 6.286 13.464 -3.023 242 HB3 ASN 32 1HB ASN 32 7.702 12.974 -2.096 243 HD21 ASN 32 1HD2 ASN 32 9.037 11.164 -3.050 244 HD22 ASN 32 2HD2 ASN 32 9.041 10.952 -4.734 245 H LEU 33 HN LEU 33 5.824 9.066 -1.595 246 HA LEU 33 HA LEU 33 7.427 8.656 0.612 247 HB2 LEU 33 2HB LEU 33 5.853 7.111 -1.028 248 HB3 LEU 33 1HB LEU 33 7.462 6.477 -1.359 249 HG LEU 33 HG LEU 33 6.246 6.814 1.393 250 HD11 LEU 33 1HD1 LEU 33 5.121 4.943 0.698 251 HD12 LEU 33 2HD1 LEU 33 6.652 4.149 1.065 252 HD13 LEU 33 3HD1 LEU 33 6.271 4.611 -0.594 253 HD21 LEU 33 1HD2 LEU 33 8.956 6.230 0.408 254 HD22 LEU 33 2HD2 LEU 33 8.353 5.042 1.560 255 HD23 LEU 33 3HD2 LEU 33 8.430 6.747 2.009 256 H GLU 34 HN GLU 34 9.520 9.042 0.873 257 HA GLU 34 HA GLU 34 11.302 9.103 -1.444 258 HB2 GLU 34 2HB GLU 34 11.810 9.760 1.461 259 HB3 GLU 34 1HB GLU 34 12.967 9.984 0.151 260 HG2 GLU 34 2HG GLU 34 11.317 11.479 -0.988 261 HG3 GLU 34 1HG GLU 34 10.265 11.333 0.419 262 H SER 35 HN SER 35 10.799 7.238 1.524 263 HA SER 35 HA SER 35 12.195 4.999 0.376 264 HB2 SER 35 2HB SER 35 14.084 4.885 1.630 265 HB3 SER 35 1HB SER 35 13.920 6.637 1.527 266 HG SER 35 HG SER 35 13.799 6.580 3.620 267 H VAL 36 HN VAL 36 12.118 3.055 1.857 268 HA VAL 36 HA VAL 36 10.073 3.328 3.934 269 HB VAL 36 HB VAL 36 9.062 2.630 1.706 270 HG11 VAL 36 1HG1 VAL 36 9.601 0.566 0.761 271 HG12 VAL 36 2HG1 VAL 36 10.226 -0.079 2.279 272 HG13 VAL 36 3HG1 VAL 36 11.176 1.088 1.361 273 HG21 VAL 36 1HG2 VAL 36 8.541 0.279 3.375 274 HG22 VAL 36 2HG2 VAL 36 7.444 1.570 2.895 275 HG23 VAL 36 3HG2 VAL 36 8.479 1.773 4.301 276 H THR 37 HN THR 37 9.924 1.508 5.362 277 HA THR 37 HA THR 37 12.537 0.183 5.711 278 HB THR 37 HB THR 37 11.824 -0.066 8.068 279 HG1 THR 37 1HG THR 37 9.461 0.936 6.959 280 HG21 THR 37 1HG2 THR 37 11.926 2.272 8.668 281 HG22 THR 37 2HG2 THR 37 11.351 2.747 7.068 282 HG23 THR 37 3HG2 THR 37 12.949 2.021 7.253 283 HA PRO 38 HA PRO 38 11.125 -3.938 4.788 284 HB2 PRO 38 2HB PRO 38 11.665 -4.533 7.677 285 HB3 PRO 38 1HB PRO 38 12.140 -5.449 6.235 286 HG2 PRO 38 2HG PRO 38 13.845 -3.861 7.575 287 HG3 PRO 38 1HG PRO 38 13.951 -4.129 5.830 288 HD2 PRO 38 2HD PRO 38 13.191 -1.692 7.274 289 HD3 PRO 38 1HD PRO 38 13.649 -1.882 5.571 290 H MET 39 HN MET 39 9.049 -4.765 4.724 291 HA MET 39 HA MET 39 7.082 -3.630 6.508 292 HB2 MET 39 2HB MET 39 6.777 -3.857 4.030 293 HB3 MET 39 1HB MET 39 6.712 -5.605 4.250 294 HG2 MET 39 2HG MET 39 4.846 -5.104 5.972 295 HG3 MET 39 1HG MET 39 4.774 -3.511 5.219 296 HE1 MET 39 1HE MET 39 4.881 -3.136 2.902 297 HE2 MET 39 2HE MET 39 3.662 -3.812 1.829 298 HE3 MET 39 3HE MET 39 5.298 -4.469 1.815 299 H THR 40 HN THR 40 5.911 -4.703 8.051 300 HA THR 40 HA THR 40 6.734 -7.501 8.556 301 HB THR 40 HB THR 40 5.916 -5.411 10.584 302 HG1 THR 40 1HG THR 40 8.406 -6.491 9.792 303 HG21 THR 40 1HG2 THR 40 7.292 -7.583 11.751 304 HG22 THR 40 2HG2 THR 40 6.085 -8.291 10.678 305 HG23 THR 40 3HG2 THR 40 5.588 -7.170 11.947 306 H LEU 41 HN LEU 41 5.119 -8.801 7.911 307 HA LEU 41 HA LEU 41 2.332 -8.006 8.550 308 HB2 LEU 41 2HB LEU 41 3.578 -9.265 6.208 309 HB3 LEU 41 1HB LEU 41 2.117 -10.073 6.772 310 HG LEU 41 HG LEU 41 0.957 -7.841 6.786 311 HD11 LEU 41 1HD1 LEU 41 2.133 -6.103 5.315 312 HD12 LEU 41 2HD1 LEU 41 3.606 -7.034 5.588 313 HD13 LEU 41 3HD1 LEU 41 2.765 -6.298 6.947 314 HD21 LEU 41 1HD2 LEU 41 0.808 -9.448 4.926 315 HD22 LEU 41 2HD2 LEU 41 2.166 -8.653 4.136 316 HD23 LEU 41 3HD2 LEU 41 0.649 -7.782 4.378 317 H THR 42 HN THR 42 1.774 -9.002 10.427 318 HA THR 42 HA THR 42 2.532 -11.839 10.781 319 HB THR 42 HB THR 42 3.205 -11.194 12.816 320 HG1 THR 42 1HG THR 42 1.186 -11.915 13.460 321 HG21 THR 42 1HG2 THR 42 3.538 -8.932 12.074 322 HG22 THR 42 2HG2 THR 42 2.756 -8.856 13.653 323 HG23 THR 42 3HG2 THR 42 1.815 -8.583 12.188 324 H THR 43 HN THR 43 0.935 -13.313 11.532 325 HA THR 43 HA THR 43 -1.796 -12.511 10.757 326 HB THR 43 HB THR 43 -0.830 -15.344 11.105 327 HG1 THR 43 1HG THR 43 0.294 -15.053 9.376 328 HG21 THR 43 1HG2 THR 43 -2.923 -14.318 9.216 329 HG22 THR 43 2HG2 THR 43 -3.315 -14.525 10.925 330 HG23 THR 43 3HG2 THR 43 -2.786 -15.910 9.965 331 H LEU 44 HN LEU 44 -3.166 -12.121 12.343 332 HA LEU 44 HA LEU 44 -2.928 -13.622 14.869 333 HB2 LEU 44 2HB LEU 44 -3.554 -11.322 15.895 334 HB3 LEU 44 1HB LEU 44 -1.907 -11.651 15.445 335 HG LEU 44 HG LEU 44 -3.555 -10.525 13.238 336 HD11 LEU 44 1HD1 LEU 44 -3.807 -8.359 14.023 337 HD12 LEU 44 2HD1 LEU 44 -2.579 -8.545 15.271 338 HD13 LEU 44 3HD1 LEU 44 -4.177 -9.253 15.489 339 HD21 LEU 44 1HD2 LEU 44 -1.024 -11.065 13.427 340 HD22 LEU 44 2HD2 LEU 44 -0.924 -9.533 14.295 341 HD23 LEU 44 3HD2 LEU 44 -1.521 -9.579 12.639 342 H GLU 45 HN GLU 45 -4.963 -11.911 16.093 343 HA GLU 45 HA GLU 45 -7.181 -12.646 16.599 344 HB2 GLU 45 2HB GLU 45 -6.649 -10.226 15.214 345 HB3 GLU 45 1HB GLU 45 -8.211 -10.831 14.664 346 HG2 GLU 45 2HG GLU 45 -8.549 -9.440 16.635 347 HG3 GLU 45 1HG GLU 45 -8.892 -11.118 17.051 348 H GLY 46 HN GLY 46 -7.911 -14.619 16.035 349 HA2 GLY 46 2HA GLY 46 -8.842 -16.302 14.752 350 HA3 GLY 46 1HA GLY 46 -9.891 -14.995 14.213 351 H GLY 47 HN GLY 47 -6.482 -14.835 13.556 352 HA2 GLY 47 2HA GLY 47 -5.333 -15.567 11.596 353 HA3 GLY 47 1HA GLY 47 -6.883 -15.895 10.834 354 H ASN 48 HN ASN 48 -6.763 -12.894 12.453 355 HA ASN 48 HA ASN 48 -7.026 -11.423 10.006 356 HB2 ASN 48 2HB ASN 48 -6.615 -10.539 12.878 357 HB3 ASN 48 1HB ASN 48 -6.886 -9.427 11.536 358 HD21 ASN 48 1HD2 ASN 48 -8.584 -12.308 10.963 359 HD22 ASN 48 2HD2 ASN 48 -10.101 -11.817 11.543 360 H LEU 49 HN LEU 49 -5.465 -9.563 9.523 361 HA LEU 49 HA LEU 49 -2.704 -10.471 10.090 362 HB2 LEU 49 2HB LEU 49 -4.087 -10.225 7.646 363 HB3 LEU 49 1HB LEU 49 -2.930 -8.896 7.693 364 HG LEU 49 HG LEU 49 -2.155 -11.768 8.299 365 HD11 LEU 49 1HD1 LEU 49 -2.976 -10.858 5.797 366 HD12 LEU 49 2HD1 LEU 49 -1.923 -12.236 6.102 367 HD13 LEU 49 3HD1 LEU 49 -1.227 -10.653 5.758 368 HD21 LEU 49 1HD2 LEU 49 -0.845 -9.420 8.813 369 HD22 LEU 49 2HD2 LEU 49 -0.243 -9.801 7.201 370 HD23 LEU 49 3HD2 LEU 49 -0.033 -10.958 8.513 371 H GLU 50 HN GLU 50 -1.284 -9.038 10.837 372 HA GLU 50 HA GLU 50 -2.157 -6.223 11.040 373 HB2 GLU 50 2HB GLU 50 -1.896 -7.359 13.243 374 HB3 GLU 50 1HB GLU 50 -0.215 -7.682 12.840 375 HG2 GLU 50 2HG GLU 50 0.387 -5.440 12.970 376 HG3 GLU 50 1HG GLU 50 -1.254 -4.869 12.685 377 H ALA 51 HN ALA 51 -1.067 -4.884 9.765 378 HA ALA 51 HA ALA 51 1.618 -5.723 8.892 379 HB1 ALA 51 1HB ALA 51 -0.627 -4.364 7.505 380 HB2 ALA 51 2HB ALA 51 0.506 -5.574 6.903 381 HB3 ALA 51 3HB ALA 51 1.016 -3.893 7.063 382 H LYS 52 HN LYS 52 3.281 -4.589 9.636 383 HA LYS 52 HA LYS 52 2.790 -1.788 10.414 384 HB2 LYS 52 2HB LYS 52 4.903 -2.827 12.000 385 HB3 LYS 52 1HB LYS 52 3.338 -2.217 12.537 386 HG2 LYS 52 2HG LYS 52 2.329 -4.411 12.238 387 HG3 LYS 52 1HG LYS 52 3.824 -5.048 11.563 388 HD2 LYS 52 2HD LYS 52 4.020 -5.755 13.767 389 HD3 LYS 52 1HD LYS 52 4.850 -4.204 13.856 390 HE2 LYS 52 2HE LYS 52 2.713 -3.142 14.587 391 HE3 LYS 52 1HE LYS 52 1.957 -4.737 14.589 392 HZ1 LYS 52 1HZ LYS 52 4.265 -3.863 16.240 393 HZ2 LYS 52 2HZ LYS 52 3.676 -5.456 16.179 394 HZ3 LYS 52 3HZ LYS 52 2.698 -4.208 16.790 395 H VAL 53 HN VAL 53 4.047 -0.409 9.339 396 HA VAL 53 HA VAL 53 6.809 -1.083 8.847 397 HB VAL 53 HB VAL 53 5.467 -2.068 6.929 398 HG11 VAL 53 1HG1 VAL 53 5.137 0.822 6.118 399 HG12 VAL 53 2HG1 VAL 53 3.849 -0.131 6.855 400 HG13 VAL 53 3HG1 VAL 53 4.517 -0.611 5.296 401 HG21 VAL 53 1HG2 VAL 53 7.069 -1.296 5.264 402 HG22 VAL 53 2HG2 VAL 53 7.884 -1.446 6.820 403 HG23 VAL 53 3HG2 VAL 53 7.415 0.145 6.223 404 H THR 54 HN THR 54 8.026 0.742 8.162 405 HA THR 54 HA THR 54 6.692 3.298 8.787 406 HB THR 54 HB THR 54 9.624 2.627 9.007 407 HG1 THR 54 1HG THR 54 7.613 1.903 10.551 408 HG21 THR 54 1HG2 THR 54 9.360 4.970 8.761 409 HG22 THR 54 2HG2 THR 54 9.522 4.704 10.497 410 HG23 THR 54 3HG2 THR 54 7.931 4.998 9.796 411 H MET 55 HN MET 55 6.661 4.851 7.272 412 HA MET 55 HA MET 55 8.327 4.421 4.869 413 HB2 MET 55 2HB MET 55 6.145 6.182 4.337 414 HB3 MET 55 1HB MET 55 6.496 4.621 3.607 415 HG2 MET 55 2HG MET 55 5.424 3.598 5.726 416 HG3 MET 55 1HG MET 55 4.794 5.221 6.028 417 HE1 MET 55 1HE MET 55 3.842 6.610 4.179 418 HE2 MET 55 2HE MET 55 2.773 6.027 2.905 419 HE3 MET 55 3HE MET 55 4.515 5.996 2.666 420 H LEU 56 HN LEU 56 9.249 6.169 3.889 421 HA LEU 56 HA LEU 56 9.611 8.506 5.652 422 HB2 LEU 56 2HB LEU 56 11.697 7.384 4.912 423 HB3 LEU 56 1HB LEU 56 11.236 7.656 3.231 424 HG LEU 56 HG LEU 56 11.222 10.115 3.653 425 HD11 LEU 56 1HD1 LEU 56 10.816 10.496 5.896 426 HD12 LEU 56 2HD1 LEU 56 12.570 10.672 5.869 427 HD13 LEU 56 3HD1 LEU 56 11.843 9.165 6.419 428 HD21 LEU 56 1HD2 LEU 56 13.569 10.368 3.532 429 HD22 LEU 56 2HD2 LEU 56 13.301 8.723 2.955 430 HD23 LEU 56 3HD2 LEU 56 13.860 8.999 4.605 431 H ILE 57 HN ILE 57 7.720 9.577 5.170 432 HA ILE 57 HA ILE 57 7.076 10.144 2.393 433 HB ILE 57 HB ILE 57 5.654 10.647 5.005 434 HG12 ILE 57 2HG1 ILE 57 5.780 8.367 3.633 435 HG13 ILE 57 1HG1 ILE 57 4.276 8.891 4.385 436 HG21 ILE 57 1HG2 ILE 57 5.075 12.545 3.735 437 HG22 ILE 57 2HG2 ILE 57 3.776 11.399 3.403 438 HG23 ILE 57 3HG2 ILE 57 5.068 11.637 2.222 439 HD11 ILE 57 1HD1 ILE 57 4.164 8.139 1.914 440 HD12 ILE 57 2HD1 ILE 57 4.956 9.666 1.545 441 HD13 ILE 57 3HD1 ILE 57 3.379 9.659 2.332 442 H SER 58 HN SER 58 7.832 11.850 1.434 443 HA SER 58 HA SER 58 8.970 13.846 1.127 444 HB2 SER 58 2HB SER 58 7.581 15.692 1.576 445 HB3 SER 58 1HB SER 58 6.460 14.342 1.422 446 HG SER 58 HG SER 58 5.931 14.616 3.433 447 H GLY 59 HN GLY 59 10.447 12.484 2.936 448 HA2 GLY 59 2HA GLY 59 12.153 12.895 4.424 449 HA3 GLY 59 1HA GLY 59 11.670 14.587 4.433 450 H ARG 60 HN ARG 60 9.217 12.277 5.176 451 HA ARG 60 HA ARG 60 9.541 12.834 8.066 452 HB2 ARG 60 2HB ARG 60 6.884 12.584 6.644 453 HB3 ARG 60 1HB ARG 60 7.174 13.089 8.307 454 HG2 ARG 60 2HG ARG 60 8.232 15.131 7.588 455 HG3 ARG 60 1HG ARG 60 8.230 14.605 5.905 456 HD2 ARG 60 2HD ARG 60 6.395 16.210 6.396 457 HD3 ARG 60 1HD ARG 60 5.800 14.647 5.846 458 HE ARG 60 HE ARG 60 4.863 14.315 7.952 459 HH11 ARG 60 1HH1 ARG 60 4.309 15.003 10.043 460 HH12 ARG 60 2HH1 ARG 60 5.109 16.373 10.740 461 HH21 ARG 60 1HH2 ARG 60 7.116 16.940 7.969 462 HH22 ARG 60 2HH2 ARG 60 6.699 17.469 9.565 463 H CYS 61 HN CYS 61 9.620 11.084 9.312 464 HA CYS 61 HA CYS 61 9.281 8.455 8.141 465 HB2 CYS 61 2HB CYS 61 10.930 9.392 10.068 466 HB3 CYS 61 1HB CYS 61 9.630 8.757 11.075 467 H GLN 62 HN GLN 62 7.205 7.885 7.790 468 HA GLN 62 HA GLN 62 5.215 8.412 9.894 469 HB2 GLN 62 2HB GLN 62 5.120 8.151 6.954 470 HB3 GLN 62 1HB GLN 62 3.773 7.418 7.825 471 HG2 GLN 62 2HG GLN 62 4.728 10.234 8.378 472 HG3 GLN 62 1HG GLN 62 3.475 9.872 7.190 473 HE21 GLN 62 1HE2 GLN 62 1.486 8.733 8.047 474 HE22 GLN 62 2HE2 GLN 62 1.038 8.984 9.665 475 H GLU 63 HN GLU 63 4.970 6.816 11.302 476 HA GLU 63 HA GLU 63 5.593 4.063 10.644 477 HB2 GLU 63 2HB GLU 63 4.168 4.814 13.155 478 HB3 GLU 63 1HB GLU 63 5.477 3.658 12.909 479 HG2 GLU 63 2HG GLU 63 6.967 5.672 12.392 480 HG3 GLU 63 1HG GLU 63 5.665 6.671 13.034 481 H VAL 64 HN VAL 64 4.192 2.776 9.634 482 HA VAL 64 HA VAL 64 1.309 3.390 9.857 483 HB VAL 64 HB VAL 64 2.524 1.507 7.860 484 HG11 VAL 64 1HG1 VAL 64 0.005 1.810 8.288 485 HG12 VAL 64 2HG1 VAL 64 0.556 1.963 6.620 486 HG13 VAL 64 3HG1 VAL 64 0.198 3.407 7.566 487 HG21 VAL 64 1HG2 VAL 64 3.850 3.413 7.449 488 HG22 VAL 64 2HG2 VAL 64 2.543 4.520 7.869 489 HG23 VAL 64 3HG2 VAL 64 2.486 3.623 6.351 490 H LYS 65 HN LYS 65 -0.110 1.880 10.631 491 HA LYS 65 HA LYS 65 0.749 -0.866 11.103 492 HB2 LYS 65 2HB LYS 65 1.527 0.235 13.122 493 HB3 LYS 65 1HB LYS 65 -0.033 1.015 13.344 494 HG2 LYS 65 2HG LYS 65 -0.352 -1.865 13.066 495 HG3 LYS 65 1HG LYS 65 0.781 -1.487 14.357 496 HD2 LYS 65 2HD LYS 65 -0.815 -0.294 15.592 497 HD3 LYS 65 1HD LYS 65 -1.848 -0.017 14.192 498 HE2 LYS 65 2HE LYS 65 -2.698 -2.178 14.213 499 HE3 LYS 65 1HE LYS 65 -1.324 -2.823 15.109 500 HZ1 LYS 65 1HZ LYS 65 -2.841 -0.769 16.473 501 HZ2 LYS 65 2HZ LYS 65 -2.209 -2.231 17.065 502 HZ3 LYS 65 3HZ LYS 65 -3.679 -2.222 16.212 503 H ALA 66 HN ALA 66 -0.884 -1.600 9.761 504 HA ALA 66 HA ALA 66 -3.641 -0.867 10.506 505 HB1 ALA 66 1HB ALA 66 -2.718 -2.029 7.878 506 HB2 ALA 66 2HB ALA 66 -2.837 -0.296 8.179 507 HB3 ALA 66 3HB ALA 66 -4.282 -1.304 8.246 508 H VAL 67 HN VAL 67 -5.240 -2.496 10.360 509 HA VAL 67 HA VAL 67 -4.197 -5.214 10.778 510 HB VAL 67 HB VAL 67 -6.716 -4.291 12.102 511 HG11 VAL 67 1HG1 VAL 67 -5.614 -6.705 11.943 512 HG12 VAL 67 2HG1 VAL 67 -6.379 -6.159 13.437 513 HG13 VAL 67 3HG1 VAL 67 -4.624 -6.088 13.266 514 HG21 VAL 67 1HG2 VAL 67 -3.872 -3.684 12.900 515 HG22 VAL 67 2HG2 VAL 67 -5.145 -3.828 14.111 516 HG23 VAL 67 3HG2 VAL 67 -5.253 -2.587 12.860 517 H LEU 68 HN LEU 68 -4.750 -6.435 9.181 518 HA LEU 68 HA LEU 68 -7.071 -5.881 7.531 519 HB2 LEU 68 2HB LEU 68 -5.175 -8.225 7.401 520 HB3 LEU 68 1HB LEU 68 -6.273 -7.691 6.141 521 HG LEU 68 HG LEU 68 -3.921 -6.114 7.231 522 HD11 LEU 68 1HD1 LEU 68 -4.266 -7.059 4.397 523 HD12 LEU 68 2HD1 LEU 68 -3.672 -8.188 5.610 524 HD13 LEU 68 3HD1 LEU 68 -2.779 -6.704 5.280 525 HD21 LEU 68 1HD2 LEU 68 -4.617 -4.802 5.010 526 HD22 LEU 68 2HD2 LEU 68 -5.370 -4.430 6.561 527 HD23 LEU 68 3HD2 LEU 68 -6.203 -5.465 5.401 528 H GLU 69 HN GLU 69 -8.855 -6.256 8.839 529 HA GLU 69 HA GLU 69 -9.110 -8.760 10.279 530 HB2 GLU 69 2HB GLU 69 -11.250 -6.681 9.776 531 HB3 GLU 69 1HB GLU 69 -11.213 -7.901 11.050 532 HG2 GLU 69 2HG GLU 69 -9.203 -5.651 10.754 533 HG3 GLU 69 1HG GLU 69 -10.558 -5.647 11.880 534 H LYS 70 HN LYS 70 -10.096 -10.562 9.557 535 HA LYS 70 HA LYS 70 -10.738 -10.870 6.817 536 HB2 LYS 70 2HB LYS 70 -10.075 -12.774 8.214 537 HB3 LYS 70 1HB LYS 70 -11.529 -12.576 9.194 538 HG2 LYS 70 2HG LYS 70 -12.119 -12.728 6.332 539 HG3 LYS 70 1HG LYS 70 -11.314 -14.178 6.939 540 HD2 LYS 70 2HD LYS 70 -12.985 -14.378 8.730 541 HD3 LYS 70 1HD LYS 70 -13.780 -12.909 8.166 542 HE2 LYS 70 2HE LYS 70 -15.027 -14.216 6.817 543 HE3 LYS 70 1HE LYS 70 -13.564 -14.516 5.881 544 HZ1 LYS 70 1HZ LYS 70 -13.622 -16.614 6.536 545 HZ2 LYS 70 2HZ LYS 70 -15.020 -16.318 7.455 546 HZ3 LYS 70 3HZ LYS 70 -13.484 -16.132 8.157 547 H THR 71 HN THR 71 -12.671 -10.774 5.729 548 HA THR 71 HA THR 71 -15.006 -9.822 7.287 549 HB THR 71 HB THR 71 -15.677 -8.555 5.317 550 HG1 THR 71 1HG THR 71 -13.578 -10.013 4.236 551 HG21 THR 71 1HG2 THR 71 -13.002 -7.533 5.276 552 HG22 THR 71 2HG2 THR 71 -13.376 -8.063 6.913 553 HG23 THR 71 3HG2 THR 71 -14.410 -6.881 6.109 554 H ASP 72 HN ASP 72 -17.075 -10.126 5.942 555 HA ASP 72 HA ASP 72 -17.602 -12.854 5.718 556 HB2 ASP 72 2HB ASP 72 -19.721 -12.168 4.667 557 HB3 ASP 72 1HB ASP 72 -19.357 -11.191 6.088 558 H GLU 73 HN GLU 73 -15.794 -10.935 3.580 559 HA GLU 73 HA GLU 73 -16.329 -12.830 1.375 560 HB2 GLU 73 2HB GLU 73 -16.950 -10.291 1.138 561 HB3 GLU 73 1HB GLU 73 -15.216 -10.094 0.898 562 HG2 GLU 73 2HG GLU 73 -15.289 -11.804 -0.900 563 HG3 GLU 73 1HG GLU 73 -17.034 -11.931 -0.685 564 HA PRO 74 HA PRO 74 -12.065 -13.804 2.904 565 HB2 PRO 74 2HB PRO 74 -12.396 -15.586 0.512 566 HB3 PRO 74 1HB PRO 74 -11.673 -15.946 2.093 567 HG2 PRO 74 2HG PRO 74 -14.123 -16.766 1.501 568 HG3 PRO 74 1HG PRO 74 -13.716 -16.186 3.126 569 HD2 PRO 74 2HD PRO 74 -15.332 -14.862 1.008 570 HD3 PRO 74 1HD PRO 74 -15.428 -14.685 2.775 571 H GLY 75 HN GLY 75 -10.127 -13.027 2.238 572 HA2 GLY 75 2HA GLY 75 -8.484 -12.350 0.671 573 HA3 GLY 75 1HA GLY 75 -9.731 -12.253 -0.564 574 H LYS 76 HN LYS 76 -11.560 -10.742 1.152 575 HA LYS 76 HA LYS 76 -10.296 -8.112 0.880 576 HB2 LYS 76 2HB LYS 76 -12.378 -8.408 -0.355 577 HB3 LYS 76 1HB LYS 76 -13.200 -8.914 1.120 578 HG2 LYS 76 2HG LYS 76 -11.789 -6.368 1.410 579 HG3 LYS 76 1HG LYS 76 -13.056 -6.309 0.189 580 HD2 LYS 76 2HD LYS 76 -13.465 -7.378 2.994 581 HD3 LYS 76 1HD LYS 76 -13.859 -5.732 2.506 582 HE2 LYS 76 2HE LYS 76 -14.993 -7.508 0.590 583 HE3 LYS 76 1HE LYS 76 -15.417 -8.101 2.191 584 HZ1 LYS 76 1HZ LYS 76 -16.933 -6.367 1.150 585 HZ2 LYS 76 2HZ LYS 76 -15.695 -5.248 1.471 586 HZ3 LYS 76 3HZ LYS 76 -16.433 -6.093 2.748 587 H TYR 77 HN TYR 77 -9.601 -7.159 2.643 588 HA TYR 77 HA TYR 77 -10.709 -7.960 5.245 589 HB2 TYR 77 2HB TYR 77 -8.030 -6.738 4.604 590 HB3 TYR 77 1HB TYR 77 -8.577 -7.258 6.199 591 HD1 TYR 77 1HD TYR 77 -8.084 -8.534 2.705 592 HD2 TYR 77 2HD TYR 77 -8.228 -9.470 6.893 593 HE1 TYR 77 1HE TYR 77 -7.331 -10.845 2.219 594 HE2 TYR 77 2HE TYR 77 -7.472 -11.777 6.406 595 HH TYR 77 HH TYR 77 -7.124 -13.289 4.776 596 H THR 78 HN THR 78 -10.676 -6.320 6.951 597 HA THR 78 HA THR 78 -11.020 -3.588 5.949 598 HB THR 78 HB THR 78 -13.030 -3.452 7.589 599 HG1 THR 78 1HG THR 78 -13.463 -5.291 8.461 600 HG21 THR 78 1HG2 THR 78 -13.568 -3.084 5.362 601 HG22 THR 78 2HG2 THR 78 -14.483 -4.554 5.688 602 HG23 THR 78 3HG2 THR 78 -12.939 -4.648 4.842 603 H ALA 79 HN ALA 79 -10.978 -1.951 7.623 604 HA ALA 79 HA ALA 79 -9.942 -2.775 10.225 605 HB1 ALA 79 1HB ALA 79 -7.971 -2.544 8.657 606 HB2 ALA 79 2HB ALA 79 -7.922 -1.496 10.075 607 HB3 ALA 79 3HB ALA 79 -8.385 -0.837 8.507 608 H ASP 80 HN ASP 80 -9.849 -1.002 11.743 609 HA ASP 80 HA ASP 80 -10.890 0.724 12.834 610 HB2 ASP 80 2HB ASP 80 -10.376 1.926 10.117 611 HB3 ASP 80 1HB ASP 80 -10.990 2.861 11.481 612 H GLY 81 HN GLY 81 -12.689 -1.217 11.787 613 HA2 GLY 81 2HA GLY 81 -14.968 -1.480 11.715 614 HA3 GLY 81 1HA GLY 81 -15.124 0.243 12.003 615 H GLY 82 HN GLY 82 -13.222 -0.546 9.232 616 HA2 GLY 82 2HA GLY 82 -14.205 -1.079 7.030 617 HA3 GLY 82 1HA GLY 82 -15.568 -0.061 7.483 618 H LYS 83 HN LYS 83 -13.252 1.607 8.832 619 HA LYS 83 HA LYS 83 -13.047 3.483 6.647 620 HB2 LYS 83 2HB LYS 83 -12.017 3.444 9.476 621 HB3 LYS 83 1HB LYS 83 -11.507 4.688 8.335 622 HG2 LYS 83 2HG LYS 83 -14.429 4.116 8.546 623 HG3 LYS 83 1HG LYS 83 -13.673 5.002 9.872 624 HD2 LYS 83 2HD LYS 83 -12.859 6.704 8.355 625 HD3 LYS 83 1HD LYS 83 -13.399 5.778 6.954 626 HE2 LYS 83 2HE LYS 83 -15.561 6.201 8.862 627 HE3 LYS 83 1HE LYS 83 -14.874 7.726 8.303 628 HZ1 LYS 83 1HZ LYS 83 -16.669 6.897 6.868 629 HZ2 LYS 83 2HZ LYS 83 -15.746 5.513 6.524 630 HZ3 LYS 83 3HZ LYS 83 -15.198 7.046 6.039 631 H HIS 84 HN HIS 84 -12.110 1.227 5.787 632 HA HIS 84 HA HIS 84 -9.919 1.547 4.376 633 HB2 HIS 84 2HB HIS 84 -8.956 1.243 7.139 634 HB3 HIS 84 1HB HIS 84 -8.210 0.152 5.984 635 HD1 HIS 84 1HD HIS 84 -8.668 3.823 6.659 636 HD2 HIS 84 2HD HIS 84 -6.668 1.356 3.964 637 HE1 HIS 84 1HE HIS 84 -7.080 5.317 5.360 638 H VAL 85 HN VAL 85 -10.405 -0.000 2.978 639 HA VAL 85 HA VAL 85 -11.117 -2.670 3.891 640 HB VAL 85 HB VAL 85 -10.734 -1.892 1.019 641 HG11 VAL 85 1HG1 VAL 85 -11.489 -4.200 2.111 642 HG12 VAL 85 2HG1 VAL 85 -12.203 -3.629 0.610 643 HG13 VAL 85 3HG1 VAL 85 -13.057 -3.406 2.135 644 HG21 VAL 85 1HG2 VAL 85 -13.089 -1.035 1.044 645 HG22 VAL 85 2HG2 VAL 85 -11.983 -0.018 1.966 646 HG23 VAL 85 3HG2 VAL 85 -13.066 -1.126 2.805 647 H ALA 86 HN ALA 86 -9.910 -3.809 1.425 648 HA ALA 86 HA ALA 86 -7.340 -3.531 0.933 649 HB1 ALA 86 1HB ALA 86 -6.264 -5.195 2.687 650 HB2 ALA 86 2HB ALA 86 -7.532 -4.531 3.721 651 HB3 ALA 86 3HB ALA 86 -6.338 -3.461 2.979 652 H TYR 87 HN TYR 87 -6.480 -5.102 -0.272 653 HA TYR 87 HA TYR 87 -7.726 -7.777 -0.188 654 HB2 TYR 87 2HB TYR 87 -7.105 -6.151 -2.664 655 HB3 TYR 87 1HB TYR 87 -7.624 -7.833 -2.662 656 HD1 TYR 87 1HD TYR 87 -8.640 -4.444 -1.445 657 HD2 TYR 87 2HD TYR 87 -9.900 -8.364 -2.658 658 HE1 TYR 87 1HE TYR 87 -11.000 -3.701 -1.376 659 HE2 TYR 87 2HE TYR 87 -12.270 -7.624 -2.578 660 HH TYR 87 HH TYR 87 -13.544 -5.523 -2.718 661 H ILE 88 HN ILE 88 -6.287 -9.386 -0.200 662 HA ILE 88 HA ILE 88 -3.455 -8.725 -0.794 663 HB ILE 88 HB ILE 88 -4.193 -11.095 0.879 664 HG12 ILE 88 2HG1 ILE 88 -4.219 -8.208 1.803 665 HG13 ILE 88 1HG1 ILE 88 -5.530 -9.379 1.930 666 HG21 ILE 88 1HG2 ILE 88 -1.826 -10.191 0.045 667 HG22 ILE 88 2HG2 ILE 88 -2.018 -10.902 1.649 668 HG23 ILE 88 3HG2 ILE 88 -1.994 -9.147 1.461 669 HD11 ILE 88 1HD1 ILE 88 -4.676 -9.618 4.053 670 HD12 ILE 88 2HD1 ILE 88 -3.053 -9.125 3.565 671 HD13 ILE 88 3HD1 ILE 88 -3.619 -10.762 3.226 672 H ILE 89 HN ILE 89 -2.855 -9.557 -2.713 673 HA ILE 89 HA ILE 89 -3.996 -12.168 -3.505 674 HB ILE 89 HB ILE 89 -2.882 -10.591 -5.677 675 HG12 ILE 89 2HG1 ILE 89 -3.698 -8.697 -4.294 676 HG13 ILE 89 1HG1 ILE 89 -4.655 -8.891 -5.758 677 HG21 ILE 89 1HG2 ILE 89 -5.612 -11.800 -5.144 678 HG22 ILE 89 2HG2 ILE 89 -4.278 -12.570 -6.002 679 HG23 ILE 89 3HG2 ILE 89 -5.073 -11.156 -6.695 680 HD11 ILE 89 1HD1 ILE 89 -5.791 -10.516 -3.678 681 HD12 ILE 89 2HD1 ILE 89 -6.513 -9.160 -4.542 682 HD13 ILE 89 3HD1 ILE 89 -5.570 -8.873 -3.081 683 H ARG 90 HN ARG 90 -2.639 -13.623 -4.569 684 HA ARG 90 HA ARG 90 0.204 -13.300 -3.932 685 HB2 ARG 90 2HB ARG 90 -0.945 -15.375 -3.218 686 HB3 ARG 90 1HB ARG 90 -1.330 -15.727 -4.904 687 HG2 ARG 90 2HG ARG 90 1.041 -15.854 -5.461 688 HG3 ARG 90 1HG ARG 90 1.480 -15.383 -3.819 689 HD2 ARG 90 2HD ARG 90 0.533 -17.411 -2.913 690 HD3 ARG 90 1HD ARG 90 -0.147 -17.850 -4.476 691 HE ARG 90 HE ARG 90 2.690 -17.540 -4.634 692 HH11 ARG 90 1HH1 ARG 90 3.921 -19.437 -4.837 693 HH12 ARG 90 2HH1 ARG 90 3.217 -20.967 -4.435 694 HH21 ARG 90 1HH2 ARG 90 0.145 -19.622 -3.557 695 HH22 ARG 90 2HH2 ARG 90 1.078 -21.072 -3.709 696 H SER 91 HN SER 91 1.146 -12.106 -5.525 697 HA SER 91 HA SER 91 0.541 -11.747 -8.126 698 HB2 SER 91 2HB SER 91 2.560 -10.760 -8.225 699 HB3 SER 91 1HB SER 91 2.764 -11.257 -6.548 700 HG SER 91 HG SER 91 3.609 -13.258 -7.406 701 H HIS 92 HN HIS 92 1.556 -12.623 -10.109 702 HA HIS 92 HA HIS 92 1.111 -15.468 -10.259 703 HB2 HIS 92 2HB HIS 92 1.978 -13.403 -12.290 704 HB3 HIS 92 1HB HIS 92 1.786 -15.113 -12.677 705 HD1 HIS 92 1HD HIS 92 -0.421 -12.897 -10.496 706 HD2 HIS 92 2HD HIS 92 -0.662 -15.181 -13.975 707 HE1 HIS 92 1HE HIS 92 -2.853 -12.870 -11.204 708 H VAL 93 HN VAL 93 3.639 -13.674 -9.205 709 HA VAL 93 HA VAL 93 5.659 -15.637 -10.120 710 HB VAL 93 HB VAL 93 5.986 -12.751 -9.265 711 HG11 VAL 93 1HG1 VAL 93 8.407 -13.371 -10.146 712 HG12 VAL 93 2HG1 VAL 93 7.930 -14.997 -9.657 713 HG13 VAL 93 3HG1 VAL 93 7.954 -13.692 -8.472 714 HG21 VAL 93 1HG2 VAL 93 7.131 -13.465 -11.805 715 HG22 VAL 93 2HG2 VAL 93 5.857 -12.295 -11.468 716 HG23 VAL 93 3HG2 VAL 93 5.446 -13.982 -11.771 717 H LYS 94 HN LYS 94 7.066 -16.519 -8.587 718 HA LYS 94 HA LYS 94 5.996 -16.907 -5.986 719 HB2 LYS 94 2HB LYS 94 7.639 -18.371 -7.448 720 HB3 LYS 94 1HB LYS 94 8.875 -17.450 -6.591 721 HG2 LYS 94 2HG LYS 94 8.601 -19.179 -5.088 722 HG3 LYS 94 1HG LYS 94 7.362 -18.079 -4.483 723 HD2 LYS 94 2HD LYS 94 5.651 -19.250 -5.808 724 HD3 LYS 94 1HD LYS 94 6.882 -20.339 -6.451 725 HE2 LYS 94 2HE LYS 94 6.950 -20.207 -3.534 726 HE3 LYS 94 1HE LYS 94 5.388 -20.756 -4.141 727 HZ1 LYS 94 1HZ LYS 94 7.036 -22.556 -3.803 728 HZ2 LYS 94 2HZ LYS 94 7.991 -21.866 -5.029 729 HZ3 LYS 94 3HZ LYS 94 6.442 -22.465 -5.390 730 H ASP 95 HN ASP 95 6.942 -16.321 -3.962 731 HA ASP 95 HA ASP 95 7.784 -14.811 -2.445 732 HB2 ASP 95 2HB ASP 95 9.798 -14.156 -4.601 733 HB3 ASP 95 1HB ASP 95 9.974 -13.910 -2.865 734 H HIS 96 HN HIS 96 5.777 -13.960 -4.532 735 HA HIS 96 HA HIS 96 6.133 -11.070 -4.106 736 HB2 HIS 96 2HB HIS 96 5.647 -12.466 -6.721 737 HB3 HIS 96 1HB HIS 96 5.116 -10.804 -6.468 738 HD1 HIS 96 1HD HIS 96 8.278 -12.912 -6.368 739 HD2 HIS 96 2HD HIS 96 7.161 -8.908 -6.590 740 HE1 HIS 96 1HE HIS 96 10.405 -11.595 -6.769 741 H TYR 97 HN TYR 97 4.298 -9.934 -3.718 742 HA TYR 97 HA TYR 97 1.694 -11.264 -3.937 743 HB2 TYR 97 2HB TYR 97 3.088 -10.558 -1.436 744 HB3 TYR 97 1HB TYR 97 1.394 -10.072 -1.529 745 HD1 TYR 97 1HD TYR 97 3.700 -12.941 -1.986 746 HD2 TYR 97 2HD TYR 97 -0.336 -11.670 -1.286 747 HE1 TYR 97 1HE TYR 97 3.035 -15.298 -1.547 748 HE2 TYR 97 2HE TYR 97 -1.008 -14.014 -0.842 749 HH TYR 97 HH TYR 97 -0.361 -16.149 -0.883 750 H ILE 98 HN ILE 98 0.033 -9.910 -4.399 751 HA ILE 98 HA ILE 98 0.696 -7.093 -4.839 752 HB ILE 98 HB ILE 98 -1.836 -8.518 -5.637 753 HG12 ILE 98 2HG1 ILE 98 -0.059 -9.836 -6.588 754 HG13 ILE 98 1HG1 ILE 98 -0.726 -8.831 -7.871 755 HG21 ILE 98 1HG2 ILE 98 -1.903 -6.748 -7.350 756 HG22 ILE 98 2HG2 ILE 98 -0.389 -6.093 -6.727 757 HG23 ILE 98 3HG2 ILE 98 -1.840 -6.063 -5.724 758 HD11 ILE 98 1HD1 ILE 98 1.151 -7.135 -7.137 759 HD12 ILE 98 2HD1 ILE 98 1.574 -8.511 -8.157 760 HD13 ILE 98 3HD1 ILE 98 1.890 -8.568 -6.422 761 H PHE 99 HN PHE 99 -0.161 -5.524 -3.578 762 HA PHE 99 HA PHE 99 -2.324 -6.326 -1.735 763 HB2 PHE 99 2HB PHE 99 -0.181 -6.015 -0.542 764 HB3 PHE 99 1HB PHE 99 -0.061 -4.392 -1.210 765 HD1 PHE 99 1HD PHE 99 -1.474 -6.449 1.376 766 HD2 PHE 99 2HD PHE 99 -1.909 -2.696 -0.675 767 HE1 PHE 99 1HE PHE 99 -2.887 -5.599 3.225 768 HE2 PHE 99 2HE PHE 99 -3.322 -1.850 1.178 769 HZ PHE 99 HZ PHE 99 -3.811 -3.301 3.128 770 H TYR 100 HN TYR 100 -4.045 -4.965 -1.626 771 HA TYR 100 HA TYR 100 -3.836 -2.321 -2.933 772 HB2 TYR 100 2HB TYR 100 -4.685 -3.641 -4.732 773 HB3 TYR 100 1HB TYR 100 -5.788 -4.511 -3.669 774 HD1 TYR 100 1HD TYR 100 -4.981 -1.002 -4.708 775 HD2 TYR 100 2HD TYR 100 -8.018 -3.811 -3.576 776 HE1 TYR 100 1HE TYR 100 -6.719 0.718 -5.114 777 HE2 TYR 100 2HE TYR 100 -9.757 -2.091 -3.971 778 HH TYR 100 HH TYR 100 -8.886 1.168 -5.133 779 H SER 101 HN SER 101 -5.742 -0.972 -2.415 780 HA SER 101 HA SER 101 -7.581 -1.753 -0.405 781 HB2 SER 101 2HB SER 101 -6.628 -0.311 1.447 782 HB3 SER 101 1HB SER 101 -5.764 -1.814 1.132 783 HG SER 101 HG SER 101 -4.827 0.110 -0.472 784 H GLU 102 HN GLU 102 -8.796 0.046 0.533 785 HA GLU 102 HA GLU 102 -8.564 2.617 -0.833 786 HB2 GLU 102 2HB GLU 102 -11.275 2.039 -1.168 787 HB3 GLU 102 1HB GLU 102 -10.055 2.143 -2.437 788 HG2 GLU 102 2HG GLU 102 -9.612 -0.213 -2.320 789 HG3 GLU 102 1HG GLU 102 -10.577 -0.384 -0.854 790 H GLY 103 HN GLY 103 -8.426 3.743 1.040 791 HA2 GLY 103 2HA GLY 103 -10.644 3.463 2.981 792 HA3 GLY 103 1HA GLY 103 -9.017 3.987 3.405 793 H GLU 104 HN GLU 104 -9.730 5.974 4.269 794 HA GLU 104 HA GLU 104 -10.300 7.953 2.193 795 HB2 GLU 104 2HB GLU 104 -12.200 7.082 4.236 796 HB3 GLU 104 1HB GLU 104 -11.923 8.824 4.251 797 HG2 GLU 104 2HG GLU 104 -12.416 8.949 1.854 798 HG3 GLU 104 1HG GLU 104 -12.626 7.200 1.788 799 H LEU 105 HN LEU 105 -9.235 9.810 2.485 800 HA LEU 105 HA LEU 105 -8.004 10.322 5.127 801 HB2 LEU 105 2HB LEU 105 -6.576 9.640 2.941 802 HB3 LEU 105 1HB LEU 105 -6.675 11.381 2.691 803 HG LEU 105 HG LEU 105 -5.995 11.519 5.218 804 HD11 LEU 105 1HD1 LEU 105 -5.078 9.659 6.203 805 HD12 LEU 105 2HD1 LEU 105 -4.492 9.009 4.672 806 HD13 LEU 105 3HD1 LEU 105 -6.190 8.831 5.115 807 HD21 LEU 105 1HD2 LEU 105 -4.521 12.390 3.563 808 HD22 LEU 105 2HD2 LEU 105 -4.187 10.787 2.908 809 HD23 LEU 105 3HD2 LEU 105 -3.544 11.248 4.484 810 H HIS 106 HN HIS 106 -9.405 11.839 5.889 811 HA HIS 106 HA HIS 106 -10.259 13.953 6.182 812 HB2 HIS 106 2HB HIS 106 -8.991 14.903 3.635 813 HB3 HIS 106 1HB HIS 106 -9.262 15.777 5.140 814 HD1 HIS 106 1HD HIS 106 -8.011 13.815 7.146 815 HD2 HIS 106 2HD HIS 106 -6.207 14.870 3.538 816 HE1 HIS 106 1HE HIS 106 -5.532 13.382 7.431 817 H GLY 107 HN GLY 107 -11.595 11.867 4.687 818 HA2 GLY 107 2HA GLY 107 -13.713 11.744 3.734 819 HA3 GLY 107 1HA GLY 107 -13.673 13.487 3.487 820 H LYS 108 HN LYS 108 -10.834 12.141 2.351 821 HA LYS 108 HA LYS 108 -11.858 12.152 -0.416 822 HB2 LYS 108 2HB LYS 108 -9.431 13.208 0.863 823 HB3 LYS 108 1HB LYS 108 -9.149 12.355 -0.654 824 HG2 LYS 108 2HG LYS 108 -9.580 14.758 -1.042 825 HG3 LYS 108 1HG LYS 108 -10.835 13.758 -1.771 826 HD2 LYS 108 2HD LYS 108 -12.440 14.414 -0.250 827 HD3 LYS 108 1HD LYS 108 -11.261 14.675 1.036 828 HE2 LYS 108 2HE LYS 108 -12.241 16.807 0.169 829 HE3 LYS 108 1HE LYS 108 -10.490 16.727 -0.024 830 HZ1 LYS 108 1HZ LYS 108 -10.737 16.956 -2.196 831 HZ2 LYS 108 2HZ LYS 108 -12.419 17.090 -2.002 832 HZ3 LYS 108 3HZ LYS 108 -11.709 15.569 -2.272 833 HA PRO 109 HA PRO 109 -11.126 7.635 0.037 834 HB2 PRO 109 2HB PRO 109 -11.371 7.930 -2.934 835 HB3 PRO 109 1HB PRO 109 -12.094 6.717 -1.858 836 HG2 PRO 109 2HG PRO 109 -13.531 8.732 -2.816 837 HG3 PRO 109 1HG PRO 109 -13.768 8.130 -1.166 838 HD2 PRO 109 2HD PRO 109 -12.493 10.660 -2.077 839 HD3 PRO 109 1HD PRO 109 -13.332 10.305 -0.550 840 H VAL 110 HN VAL 110 -9.208 6.696 0.173 841 HA VAL 110 HA VAL 110 -7.069 7.516 -1.687 842 HB VAL 110 HB VAL 110 -6.242 8.468 0.229 843 HG11 VAL 110 1HG1 VAL 110 -6.610 7.297 2.510 844 HG12 VAL 110 2HG1 VAL 110 -7.820 6.336 1.660 845 HG13 VAL 110 3HG1 VAL 110 -7.997 8.088 1.760 846 HG21 VAL 110 1HG2 VAL 110 -4.496 7.112 1.073 847 HG22 VAL 110 2HG2 VAL 110 -4.806 6.461 -0.535 848 HG23 VAL 110 3HG2 VAL 110 -5.438 5.634 0.891 849 H ARG 111 HN ARG 111 -6.323 5.910 -2.834 850 HA ARG 111 HA ARG 111 -6.494 3.169 -1.757 851 HB2 ARG 111 2HB ARG 111 -6.726 3.227 -4.641 852 HB3 ARG 111 1HB ARG 111 -7.808 2.497 -3.456 853 HG2 ARG 111 2HG ARG 111 -8.797 4.756 -3.034 854 HG3 ARG 111 1HG ARG 111 -7.795 5.396 -4.339 855 HD2 ARG 111 2HD ARG 111 -8.848 3.819 -5.918 856 HD3 ARG 111 1HD ARG 111 -9.847 3.180 -4.617 857 HE ARG 111 HE ARG 111 -10.217 5.702 -6.005 858 HH11 ARG 111 1HH1 ARG 111 -12.103 6.836 -5.440 859 HH12 ARG 111 2HH1 ARG 111 -12.990 6.381 -4.024 860 HH21 ARG 111 1HH2 ARG 111 -10.832 3.802 -3.178 861 HH22 ARG 111 2HH2 ARG 111 -12.271 4.663 -2.743 862 H GLY 112 HN GLY 112 -5.327 1.858 -3.923 863 HA2 GLY 112 2HA GLY 112 -3.203 2.616 -5.262 864 HA3 GLY 112 1HA GLY 112 -2.560 2.802 -3.639 865 H VAL 113 HN VAL 113 -1.692 1.049 -5.752 866 HA VAL 113 HA VAL 113 -2.208 -1.590 -4.545 867 HB VAL 113 HB VAL 113 -0.828 -1.190 -7.192 868 HG11 VAL 113 1HG1 VAL 113 -1.750 -3.399 -7.633 869 HG12 VAL 113 2HG1 VAL 113 -2.691 -3.326 -6.137 870 HG13 VAL 113 3HG1 VAL 113 -0.929 -3.405 -6.065 871 HG21 VAL 113 1HG2 VAL 113 -3.413 -1.709 -7.921 872 HG22 VAL 113 2HG2 VAL 113 -2.676 -0.107 -7.954 873 HG23 VAL 113 3HG2 VAL 113 -3.657 -0.598 -6.576 874 H LYS 114 HN LYS 114 -0.427 -2.749 -3.797 875 HA LYS 114 HA LYS 114 2.214 -1.481 -4.136 876 HB2 LYS 114 2HB LYS 114 1.525 -2.792 -1.529 877 HB3 LYS 114 1HB LYS 114 2.758 -1.597 -1.876 878 HG2 LYS 114 2HG LYS 114 -0.178 -0.898 -2.104 879 HG3 LYS 114 1HG LYS 114 0.675 -0.814 -0.569 880 HD2 LYS 114 2HD LYS 114 2.317 0.724 -1.522 881 HD3 LYS 114 1HD LYS 114 1.539 0.603 -3.097 882 HE2 LYS 114 2HE LYS 114 0.928 2.638 -1.629 883 HE3 LYS 114 1HE LYS 114 -0.400 1.739 -2.362 884 HZ1 LYS 114 1HZ LYS 114 0.538 0.885 0.272 885 HZ2 LYS 114 2HZ LYS 114 -1.029 0.860 -0.383 886 HZ3 LYS 114 3HZ LYS 114 -0.367 2.316 0.189 887 H LEU 115 HN LEU 115 3.855 -2.858 -4.587 888 HA LEU 115 HA LEU 115 3.197 -5.701 -4.816 889 HB2 LEU 115 2HB LEU 115 4.104 -4.666 -6.847 890 HB3 LEU 115 1HB LEU 115 5.482 -4.051 -5.947 891 HG LEU 115 HG LEU 115 6.307 -6.296 -5.554 892 HD11 LEU 115 1HD1 LEU 115 3.620 -7.057 -6.663 893 HD12 LEU 115 2HD1 LEU 115 4.429 -7.657 -5.213 894 HD13 LEU 115 3HD1 LEU 115 4.973 -8.174 -6.808 895 HD21 LEU 115 1HD2 LEU 115 6.744 -7.001 -7.868 896 HD22 LEU 115 2HD2 LEU 115 6.809 -5.242 -7.759 897 HD23 LEU 115 3HD2 LEU 115 5.385 -6.030 -8.435 898 H VAL 116 HN VAL 116 4.050 -7.127 -3.411 899 HA VAL 116 HA VAL 116 6.424 -6.300 -1.917 900 HB VAL 116 HB VAL 116 5.487 -6.675 0.169 901 HG11 VAL 116 1HG1 VAL 116 3.103 -5.797 -1.492 902 HG12 VAL 116 2HG1 VAL 116 4.432 -4.730 -1.029 903 HG13 VAL 116 3HG1 VAL 116 3.390 -5.436 0.207 904 HG21 VAL 116 1HG2 VAL 116 3.245 -7.832 0.418 905 HG22 VAL 116 2HG2 VAL 116 4.548 -8.880 -0.134 906 HG23 VAL 116 3HG2 VAL 116 3.362 -8.270 -1.285 907 H GLY 117 HN GLY 117 7.901 -7.858 -1.489 908 HA2 GLY 117 2HA GLY 117 7.137 -10.649 -2.046 909 HA3 GLY 117 1HA GLY 117 8.443 -9.935 -2.978 910 H ARG 118 HN ARG 118 10.501 -9.901 -2.100 911 HA ARG 118 HA ARG 118 11.016 -10.072 0.693 912 HB2 ARG 118 2HB ARG 118 10.139 -12.434 -0.086 913 HB3 ARG 118 1HB ARG 118 11.787 -12.606 -0.687 914 HG2 ARG 118 2HG ARG 118 12.663 -12.058 1.554 915 HG3 ARG 118 1HG ARG 118 11.010 -11.901 2.158 916 HD2 ARG 118 2HD ARG 118 10.897 -14.118 2.474 917 HD3 ARG 118 1HD ARG 118 11.216 -14.380 0.763 918 HE ARG 118 HE ARG 118 13.357 -15.015 1.356 919 HH11 ARG 118 1HH1 ARG 118 15.137 -15.194 2.753 920 HH12 ARG 118 2HH1 ARG 118 15.125 -14.365 4.274 921 HH21 ARG 118 1HH2 ARG 118 11.986 -12.973 3.792 922 HH22 ARG 118 2HH2 ARG 118 13.341 -13.108 4.862 923 H ASP 119 HN ASP 119 12.088 -10.175 -2.612 924 HA ASP 119 HA ASP 119 14.878 -9.794 -1.712 925 HB2 ASP 119 2HB ASP 119 14.799 -10.239 -4.504 926 HB3 ASP 119 1HB ASP 119 15.435 -11.305 -3.254 927 HA PRO 120 HA PRO 120 14.752 -5.699 -3.409 928 HB2 PRO 120 2HB PRO 120 17.343 -5.295 -4.106 929 HB3 PRO 120 1HB PRO 120 16.826 -5.398 -2.412 930 HG2 PRO 120 2HG PRO 120 18.129 -7.459 -4.119 931 HG3 PRO 120 1HG PRO 120 18.407 -7.062 -2.415 932 HD2 PRO 120 2HD PRO 120 16.878 -9.197 -3.239 933 HD3 PRO 120 1HD PRO 120 16.663 -8.364 -1.684 934 H LYS 121 HN LYS 121 15.906 -8.356 -5.309 935 HA LYS 121 HA LYS 121 16.305 -7.043 -7.789 936 HB2 LYS 121 2HB LYS 121 16.128 -9.801 -6.813 937 HB3 LYS 121 1HB LYS 121 15.489 -9.602 -8.444 938 HG2 LYS 121 2HG LYS 121 17.875 -10.101 -8.569 939 HG3 LYS 121 1HG LYS 121 17.602 -8.441 -9.094 940 HD2 LYS 121 2HD LYS 121 19.086 -7.768 -7.537 941 HD3 LYS 121 1HD LYS 121 17.962 -8.311 -6.294 942 HE2 LYS 121 2HE LYS 121 18.940 -10.634 -6.560 943 HE3 LYS 121 1HE LYS 121 20.186 -9.912 -7.579 944 HZ1 LYS 121 1HZ LYS 121 21.273 -9.437 -5.723 945 HZ2 LYS 121 2HZ LYS 121 19.968 -9.925 -4.750 946 HZ3 LYS 121 3HZ LYS 121 20.048 -8.331 -5.329 947 H ASN 122 HN ASN 122 14.819 -5.964 -8.898 948 HA ASN 122 HA ASN 122 12.018 -6.238 -8.455 949 HB2 ASN 122 2HB ASN 122 12.250 -4.952 -10.877 950 HB3 ASN 122 1HB ASN 122 12.274 -4.164 -9.301 951 HD21 ASN 122 1HD2 ASN 122 14.445 -5.585 -11.780 952 HD22 ASN 122 2HD2 ASN 122 15.798 -4.655 -11.345 953 H ASN 123 HN ASN 123 10.846 -7.932 -9.102 954 HA ASN 123 HA ASN 123 11.699 -9.604 -11.305 955 HB2 ASN 123 2HB ASN 123 9.554 -9.702 -9.229 956 HB3 ASN 123 1HB ASN 123 9.311 -10.619 -10.714 957 HD21 ASN 123 1HD2 ASN 123 12.613 -10.150 -9.707 958 HD22 ASN 123 2HD2 ASN 123 12.864 -11.719 -9.112 959 H LEU 124 HN LEU 124 11.546 -8.353 -13.137 960 HA LEU 124 HA LEU 124 9.614 -6.564 -13.885 961 HB2 LEU 124 2HB LEU 124 10.117 -7.229 -16.253 962 HB3 LEU 124 1HB LEU 124 11.557 -6.921 -15.282 963 HG LEU 124 HG LEU 124 10.797 -9.674 -14.976 964 HD11 LEU 124 1HD1 LEU 124 11.088 -10.435 -17.291 965 HD12 LEU 124 2HD1 LEU 124 11.219 -8.763 -17.838 966 HD13 LEU 124 3HD1 LEU 124 9.694 -9.360 -17.179 967 HD21 LEU 124 1HD2 LEU 124 13.054 -8.631 -14.665 968 HD22 LEU 124 2HD2 LEU 124 13.153 -8.415 -16.413 969 HD23 LEU 124 3HD2 LEU 124 13.086 -10.039 -15.728 970 H GLU 125 HN GLU 125 9.375 -10.017 -13.696 971 HA GLU 125 HA GLU 125 6.946 -10.217 -15.214 972 HB2 GLU 125 2HB GLU 125 8.509 -12.048 -13.418 973 HB3 GLU 125 1HB GLU 125 6.872 -12.486 -13.916 974 HG2 GLU 125 2HG GLU 125 7.461 -12.472 -16.224 975 HG3 GLU 125 1HG GLU 125 8.985 -11.646 -15.906 976 H ALA 126 HN ALA 126 7.851 -9.814 -11.852 977 HA ALA 126 HA ALA 126 5.194 -10.120 -10.821 978 HB1 ALA 126 1HB ALA 126 7.333 -10.399 -9.482 979 HB2 ALA 126 2HB ALA 126 6.098 -9.389 -8.728 980 HB3 ALA 126 3HB ALA 126 7.487 -8.642 -9.516 981 H LEU 127 HN LEU 127 7.239 -7.409 -11.865 982 HA LEU 127 HA LEU 127 5.519 -5.350 -11.004 983 HB2 LEU 127 2HB LEU 127 7.906 -5.605 -12.623 984 HB3 LEU 127 1HB LEU 127 6.786 -4.441 -13.328 985 HG LEU 127 HG LEU 127 7.592 -4.424 -10.409 986 HD11 LEU 127 1HD1 LEU 127 9.598 -3.959 -11.623 987 HD12 LEU 127 2HD1 LEU 127 8.950 -2.389 -11.149 988 HD13 LEU 127 3HD1 LEU 127 8.738 -2.968 -12.801 989 HD21 LEU 127 1HD2 LEU 127 6.079 -2.760 -10.210 990 HD22 LEU 127 2HD2 LEU 127 5.522 -3.153 -11.837 991 HD23 LEU 127 3HD2 LEU 127 6.756 -1.916 -11.603 992 H GLU 128 HN GLU 128 5.645 -7.301 -13.943 993 HA GLU 128 HA GLU 128 3.687 -5.792 -15.365 994 HB2 GLU 128 2HB GLU 128 5.152 -7.255 -16.599 995 HB3 GLU 128 1HB GLU 128 4.635 -8.649 -15.649 996 HG2 GLU 128 2HG GLU 128 2.567 -8.769 -16.695 997 HG3 GLU 128 1HG GLU 128 2.560 -7.055 -17.106 998 H ASP 129 HN ASP 129 3.600 -8.639 -13.276 999 HA ASP 129 HA ASP 129 0.822 -9.159 -13.580 1000 HB2 ASP 129 2HB ASP 129 2.575 -10.740 -12.619 1001 HB3 ASP 129 1HB ASP 129 2.475 -9.795 -11.135 1002 H PHE 130 HN PHE 130 2.728 -7.190 -11.360 1003 HA PHE 130 HA PHE 130 0.551 -6.420 -9.697 1004 HB2 PHE 130 2HB PHE 130 2.715 -6.134 -8.799 1005 HB3 PHE 130 1HB PHE 130 3.319 -5.393 -10.274 1006 HD1 PHE 130 1HD PHE 130 1.724 -4.864 -7.093 1007 HD2 PHE 130 2HD PHE 130 2.540 -3.060 -10.899 1008 HE1 PHE 130 1HE PHE 130 1.272 -2.641 -6.142 1009 HE2 PHE 130 2HE PHE 130 2.056 -0.830 -9.945 1010 HZ PHE 130 HZ PHE 130 1.433 -0.618 -7.558 1011 H GLU 131 HN GLU 131 2.255 -4.979 -12.437 1012 HA GLU 131 HA GLU 131 0.671 -2.668 -12.675 1013 HB2 GLU 131 2HB GLU 131 2.896 -2.968 -13.750 1014 HB3 GLU 131 1HB GLU 131 2.171 -4.132 -14.854 1015 HG2 GLU 131 2HG GLU 131 0.981 -2.524 -16.009 1016 HG3 GLU 131 1HG GLU 131 0.892 -1.440 -14.621 1017 H LYS 132 HN LYS 132 -0.097 -5.942 -13.235 1018 HA LYS 132 HA LYS 132 -2.092 -5.304 -15.280 1019 HB2 LYS 132 2HB LYS 132 -1.001 -7.783 -14.056 1020 HB3 LYS 132 1HB LYS 132 -2.691 -7.829 -14.553 1021 HG2 LYS 132 2HG LYS 132 -2.090 -7.124 -16.802 1022 HG3 LYS 132 1HG LYS 132 -0.403 -6.936 -16.328 1023 HD2 LYS 132 2HD LYS 132 -0.130 -9.071 -17.023 1024 HD3 LYS 132 1HD LYS 132 -0.981 -9.532 -15.549 1025 HE2 LYS 132 2HE LYS 132 -2.086 -10.595 -17.429 1026 HE3 LYS 132 1HE LYS 132 -3.145 -9.328 -16.806 1027 HZ1 LYS 132 1HZ LYS 132 -1.832 -7.907 -18.559 1028 HZ2 LYS 132 2HZ LYS 132 -3.184 -8.833 -19.010 1029 HZ3 LYS 132 3HZ LYS 132 -1.615 -9.417 -19.300 1030 H ALA 133 HN ALA 133 -1.668 -6.019 -11.883 1031 HA ALA 133 HA ALA 133 -4.395 -6.160 -11.146 1032 HB1 ALA 133 1HB ALA 133 -2.408 -6.793 -9.695 1033 HB2 ALA 133 2HB ALA 133 -3.642 -5.825 -8.888 1034 HB3 ALA 133 3HB ALA 133 -2.146 -5.068 -9.436 1035 H ALA 134 HN ALA 134 -2.085 -3.422 -11.200 1036 HA ALA 134 HA ALA 134 -3.893 -1.451 -10.376 1037 HB1 ALA 134 1HB ALA 134 -1.921 -0.353 -10.510 1038 HB2 ALA 134 2HB ALA 134 -2.228 -0.218 -12.242 1039 HB3 ALA 134 3HB ALA 134 -1.257 -1.551 -11.621 1040 H GLY 135 HN GLY 135 -3.048 -2.776 -13.550 1041 HA2 GLY 135 2HA GLY 135 -4.680 -1.146 -15.113 1042 HA3 GLY 135 1HA GLY 135 -4.249 -2.804 -15.522 1043 H ALA 136 HN ALA 136 -5.378 -4.288 -13.636 1044 HA ALA 136 HA ALA 136 -8.108 -4.398 -14.354 1045 HB1 ALA 136 1HB ALA 136 -6.877 -6.392 -13.684 1046 HB2 ALA 136 2HB ALA 136 -8.251 -6.150 -12.603 1047 HB3 ALA 136 3HB ALA 136 -6.626 -5.718 -12.074 1048 H ARG 137 HN ARG 137 -6.467 -2.476 -12.052 1049 HA ARG 137 HA ARG 137 -8.954 -2.039 -10.522 1050 HB2 ARG 137 2HB ARG 137 -6.084 -1.935 -9.840 1051 HB3 ARG 137 1HB ARG 137 -7.054 -0.624 -9.176 1052 HG2 ARG 137 2HG ARG 137 -7.018 -2.481 -7.594 1053 HG3 ARG 137 1HG ARG 137 -8.644 -2.326 -8.254 1054 HD2 ARG 137 2HD ARG 137 -8.126 -4.122 -9.893 1055 HD3 ARG 137 1HD ARG 137 -6.523 -4.286 -9.186 1056 HE ARG 137 HE ARG 137 -7.485 -5.374 -7.349 1057 HH11 ARG 137 1HH1 ARG 137 -9.229 -6.443 -6.359 1058 HH12 ARG 137 2HH1 ARG 137 -10.840 -6.181 -6.940 1059 HH21 ARG 137 1HH2 ARG 137 -9.869 -3.971 -9.429 1060 HH22 ARG 137 2HH2 ARG 137 -11.202 -4.782 -8.678 1061 H GLY 138 HN GLY 138 -7.390 -0.895 -13.138 1062 HA2 GLY 138 2HA GLY 138 -7.833 0.990 -14.412 1063 HA3 GLY 138 1HA GLY 138 -8.865 1.574 -13.115 1064 H LEU 139 HN LEU 139 -5.491 0.712 -12.661 1065 HA LEU 139 HA LEU 139 -4.874 3.579 -12.252 1066 HB2 LEU 139 2HB LEU 139 -3.660 1.186 -10.853 1067 HB3 LEU 139 1HB LEU 139 -3.231 2.871 -10.573 1068 HG LEU 139 HG LEU 139 -6.107 2.039 -10.314 1069 HD11 LEU 139 1HD1 LEU 139 -4.051 1.773 -8.104 1070 HD12 LEU 139 2HD1 LEU 139 -4.759 0.408 -8.971 1071 HD13 LEU 139 3HD1 LEU 139 -5.779 1.448 -7.979 1072 HD21 LEU 139 1HD2 LEU 139 -4.347 4.093 -8.935 1073 HD22 LEU 139 2HD2 LEU 139 -6.063 3.853 -8.610 1074 HD23 LEU 139 3HD2 LEU 139 -5.538 4.423 -10.193 1075 H SER 140 HN SER 140 -4.654 1.731 -14.627 1076 HA SER 140 HA SER 140 -2.065 0.983 -15.244 1077 HB2 SER 140 2HB SER 140 -2.746 1.305 -17.618 1078 HB3 SER 140 1HB SER 140 -3.929 0.408 -16.671 1079 HG SER 140 HG SER 140 -5.214 2.177 -16.596 1080 H THR 141 HN THR 141 -2.846 4.027 -14.314 1081 HA THR 141 HA THR 141 -0.701 5.236 -15.954 1082 HB THR 141 HB THR 141 -2.848 6.190 -16.573 1083 HG1 THR 141 1HG THR 141 -1.016 7.576 -16.320 1084 HG21 THR 141 1HG2 THR 141 -3.147 6.802 -13.623 1085 HG22 THR 141 2HG2 THR 141 -4.081 5.609 -14.525 1086 HG23 THR 141 3HG2 THR 141 -4.251 7.325 -14.894 1087 H GLU 142 HN GLU 142 -1.098 3.926 -13.160 1088 HA GLU 142 HA GLU 142 -0.764 5.666 -11.077 1089 HB2 GLU 142 2HB GLU 142 0.766 3.860 -10.090 1090 HB3 GLU 142 1HB GLU 142 -0.866 3.382 -10.545 1091 HG2 GLU 142 2HG GLU 142 0.843 1.744 -11.287 1092 HG3 GLU 142 1HG GLU 142 -0.052 2.426 -12.637 1093 H SER 143 HN SER 143 1.463 5.728 -9.797 1094 HA SER 143 HA SER 143 3.378 7.088 -11.581 1095 HB2 SER 143 2HB SER 143 4.164 8.019 -9.260 1096 HB3 SER 143 1HB SER 143 2.732 8.690 -10.035 1097 HG SER 143 HG SER 143 2.887 7.603 -7.666 1098 H ILE 144 HN ILE 144 2.958 4.288 -9.738 1099 HA ILE 144 HA ILE 144 4.402 2.877 -8.617 1100 HB ILE 144 HB ILE 144 4.946 2.985 -11.509 1101 HG12 ILE 144 2HG1 ILE 144 3.035 1.766 -10.454 1102 HG13 ILE 144 1HG1 ILE 144 4.070 0.736 -11.436 1103 HG21 ILE 144 1HG2 ILE 144 6.484 0.946 -11.206 1104 HG22 ILE 144 2HG2 ILE 144 6.757 1.559 -9.581 1105 HG23 ILE 144 3HG2 ILE 144 7.192 2.540 -10.984 1106 HD11 ILE 144 1HD1 ILE 144 5.159 0.711 -8.805 1107 HD12 ILE 144 2HD1 ILE 144 4.358 -0.604 -9.653 1108 HD13 ILE 144 3HD1 ILE 144 3.422 0.495 -8.642 1109 H LEU 145 HN LEU 145 5.635 3.485 -7.096 1110 HA LEU 145 HA LEU 145 8.285 4.572 -7.761 1111 HB2 LEU 145 2HB LEU 145 6.942 6.350 -6.767 1112 HB3 LEU 145 1HB LEU 145 6.514 5.306 -5.415 1113 HG LEU 145 HG LEU 145 8.876 5.203 -4.722 1114 HD11 LEU 145 1HD1 LEU 145 10.261 5.420 -6.556 1115 HD12 LEU 145 2HD1 LEU 145 10.302 7.083 -5.978 1116 HD13 LEU 145 3HD1 LEU 145 9.241 6.643 -7.315 1117 HD21 LEU 145 1HD2 LEU 145 9.152 7.806 -4.410 1118 HD22 LEU 145 2HD2 LEU 145 7.824 6.960 -3.616 1119 HD23 LEU 145 3HD2 LEU 145 7.532 7.862 -5.102 1120 H ILE 146 HN ILE 146 9.986 3.680 -6.673 1121 HA ILE 146 HA ILE 146 9.383 1.371 -4.935 1122 HB ILE 146 HB ILE 146 11.985 1.637 -6.395 1123 HG12 ILE 146 2HG1 ILE 146 10.611 0.077 -8.098 1124 HG13 ILE 146 1HG1 ILE 146 9.291 1.121 -7.568 1125 HG21 ILE 146 1HG2 ILE 146 11.697 -0.153 -4.731 1126 HG22 ILE 146 2HG2 ILE 146 11.796 -0.843 -6.350 1127 HG23 ILE 146 3HG2 ILE 146 10.235 -0.700 -5.548 1128 HD11 ILE 146 1HD1 ILE 146 11.806 1.846 -9.038 1129 HD12 ILE 146 2HD1 ILE 146 11.035 3.050 -8.005 1130 HD13 ILE 146 3HD1 ILE 146 10.145 2.348 -9.357 1131 HA PRO 147 HA PRO 147 11.276 4.611 -2.184 1132 HB2 PRO 147 2HB PRO 147 10.324 2.551 -0.251 1133 HB3 PRO 147 1HB PRO 147 10.151 4.309 -0.184 1134 HG2 PRO 147 2HG PRO 147 8.112 2.750 -0.832 1135 HG3 PRO 147 1HG PRO 147 8.359 4.332 -1.590 1136 HD2 PRO 147 2HD PRO 147 8.781 1.619 -2.727 1137 HD3 PRO 147 1HD PRO 147 8.334 3.134 -3.540 1138 H ARG 148 HN ARG 148 12.108 1.519 -3.036 1139 HA ARG 148 HA ARG 148 14.000 0.240 -2.810 1140 HB2 ARG 148 2HB ARG 148 15.029 2.523 -3.316 1141 HB3 ARG 148 1HB ARG 148 15.274 2.687 -1.581 1142 HG2 ARG 148 2HG ARG 148 17.310 1.792 -2.524 1143 HG3 ARG 148 1HG ARG 148 16.526 0.512 -1.602 1144 HD2 ARG 148 2HD ARG 148 16.194 -0.764 -3.444 1145 HD3 ARG 148 1HD ARG 148 15.670 0.608 -4.414 1146 HE ARG 148 HE ARG 148 18.354 -0.463 -4.243 1147 HH11 ARG 148 1HH1 ARG 148 19.875 0.512 -5.618 1148 HH12 ARG 148 2HH1 ARG 148 19.504 2.025 -6.376 1149 HH21 ARG 148 1HH2 ARG 148 16.352 2.272 -4.952 1150 HH22 ARG 148 2HH2 ARG 148 17.511 3.022 -6.000 1151 H GLN 149 HN GLN 149 14.783 -1.185 -1.323 1152 HA GLN 149 HA GLN 149 13.619 -1.233 1.258 1153 HB2 GLN 149 2HB GLN 149 15.891 -2.910 1.293 1154 HB3 GLN 149 1HB GLN 149 14.213 -3.376 1.044 1155 HG2 GLN 149 2HG GLN 149 16.042 -2.412 -1.169 1156 HG3 GLN 149 1HG GLN 149 15.750 -4.107 -0.797 1157 HE21 GLN 149 1HE2 GLN 149 13.026 -4.242 -0.358 1158 HE22 GLN 149 2HE2 GLN 149 12.175 -3.727 -1.734 1159 H SER 150 HN SER 150 14.137 0.015 2.918 1160 HA SER 150 HA SER 150 16.984 0.687 3.364 1161 HB2 SER 150 2HB SER 150 16.407 2.838 3.031 1162 HB3 SER 150 1HB SER 150 14.688 2.452 3.029 1163 HG SER 150 HG SER 150 16.364 2.753 5.305 1164 H GLU 151 HN GLU 151 17.381 -0.815 4.925 1165 HA GLU 151 HA GLU 151 16.001 -1.992 6.845 1166 HB2 GLU 151 2HB GLU 151 18.732 -1.112 6.615 1167 HB3 GLU 151 1HB GLU 151 18.207 -1.025 8.296 1168 HG2 GLU 151 2HG GLU 151 17.404 -3.353 8.171 1169 HG3 GLU 151 1HG GLU 151 17.925 -3.443 6.488 1170 H THR 152 HN THR 152 16.764 1.444 6.923 1171 HA THR 152 HA THR 152 14.787 1.773 9.057 1172 HB THR 152 HB THR 152 16.838 1.585 10.318 1173 HG1 THR 152 1HG THR 152 16.980 4.056 10.785 1174 HG21 THR 152 1HG2 THR 152 17.945 2.862 8.002 1175 HG22 THR 152 2HG2 THR 152 18.796 2.134 9.367 1176 HG23 THR 152 3HG2 THR 152 18.327 3.835 9.424 1177 H CYS 153 HN CYS 153 13.719 3.705 9.011 1178 HA CYS 153 HA CYS 153 14.075 5.304 6.604 1179 HB2 CYS 153 2HB CYS 153 11.830 5.195 6.821 1180 HB3 CYS 153 1HB CYS 153 11.924 4.796 8.537 1181 H SER 154 HN SER 154 15.478 6.938 6.628 1182 HA SER 154 HA SER 154 15.313 9.211 8.102 1183 HB2 SER 154 2HB SER 154 16.653 7.062 9.632 1184 HB3 SER 154 1HB SER 154 17.433 8.640 9.662 1185 HG SER 154 HG SER 154 15.045 7.804 10.753 1186 HA PRO 155 HA PRO 155 18.639 9.737 5.106 1187 HB2 PRO 155 2HB PRO 155 19.007 12.417 5.312 1188 HB3 PRO 155 1HB PRO 155 17.588 11.713 4.509 1189 HG2 PRO 155 2HG PRO 155 17.837 12.862 7.245 1190 HG3 PRO 155 1HG PRO 155 16.521 13.022 6.069 1191 HD2 PRO 155 2HD PRO 155 16.443 11.281 8.200 1192 HD3 PRO 155 1HD PRO 155 15.548 11.028 6.684 1193 H GLY 156 HN GLY 156 20.821 9.515 5.275 1194 HA2 GLY 156 2HA GLY 156 22.067 9.782 7.878 1195 HA3 GLY 156 1HA GLY 156 22.820 9.158 6.413 1196 H SER 157 HN SER 157 21.206 12.114 5.960 1197 HA SER 157 HA SER 157 23.462 13.529 5.123 1198 HB2 SER 157 2HB SER 157 22.019 15.260 4.733 1199 HB3 SER 157 1HB SER 157 20.821 13.992 4.973 1200 HG SER 157 HG SER 157 20.262 14.883 6.804 1201 H ASP 158 HN ASP 158 24.559 15.335 6.077 1202 HA ASP 158 HA ASP 158 25.559 14.875 8.646 1203 HB2 ASP 158 2HB ASP 158 26.667 16.253 6.884 1204 HB3 ASP 158 1HB ASP 158 25.487 17.526 7.189 Start of MODEL 9 1 H1 HIS 1 1HT HIS 1 -2.260 -17.797 -12.599 2 H2 HIS 1 2HT HIS 1 -2.260 -17.078 -11.060 3 H3 HIS 1 3HT HIS 1 -2.309 -16.109 -12.455 4 HA HIS 1 HA HIS 1 -4.494 -16.763 -12.980 5 HB2 HIS 1 2HB HIS 1 -3.904 -19.183 -12.156 6 HB3 HIS 1 1HB HIS 1 -4.560 -18.623 -10.619 7 HD1 HIS 1 1HD HIS 1 -7.016 -18.941 -10.385 8 HD2 HIS 1 2HD HIS 1 -5.902 -18.571 -14.384 9 HE1 HIS 1 1HE HIS 1 -9.132 -19.229 -11.746 10 H HIS 2 HN HIS 2 -6.022 -17.405 -10.380 11 HA HIS 2 HA HIS 2 -5.551 -14.876 -8.942 12 HB2 HIS 2 2HB HIS 2 -7.350 -14.441 -10.540 13 HB3 HIS 2 1HB HIS 2 -8.235 -15.848 -9.954 14 HD1 HIS 2 1HD HIS 2 -7.102 -12.410 -8.872 15 HD2 HIS 2 2HD HIS 2 -9.645 -15.436 -7.549 16 HE1 HIS 2 1HE HIS 2 -8.425 -11.442 -6.941 17 H LEU 3 HN LEU 3 -8.434 -16.690 -8.387 18 HA LEU 3 HA LEU 3 -9.046 -18.201 -6.748 19 HB2 LEU 3 2HB LEU 3 -6.543 -19.019 -7.240 20 HB3 LEU 3 1HB LEU 3 -6.307 -18.397 -5.606 21 HG LEU 3 HG LEU 3 -8.496 -19.748 -5.072 22 HD11 LEU 3 1HD1 LEU 3 -7.500 -21.622 -7.162 23 HD12 LEU 3 2HD1 LEU 3 -8.477 -20.261 -7.716 24 HD13 LEU 3 3HD1 LEU 3 -9.135 -21.398 -6.540 25 HD21 LEU 3 1HD2 LEU 3 -5.731 -20.889 -5.519 26 HD22 LEU 3 2HD2 LEU 3 -7.019 -21.833 -4.772 27 HD23 LEU 3 3HD2 LEU 3 -6.453 -20.350 -4.004 28 H LEU 4 HN LEU 4 -6.987 -15.473 -6.098 29 HA LEU 4 HA LEU 4 -7.022 -13.899 -4.427 30 HB2 LEU 4 2HB LEU 4 -9.679 -14.712 -4.745 31 HB3 LEU 4 1HB LEU 4 -9.398 -14.799 -3.009 32 HG LEU 4 HG LEU 4 -8.762 -12.386 -4.741 33 HD11 LEU 4 1HD1 LEU 4 -11.064 -12.272 -4.670 34 HD12 LEU 4 2HD1 LEU 4 -10.695 -11.512 -3.120 35 HD13 LEU 4 3HD1 LEU 4 -11.169 -13.210 -3.181 36 HD21 LEU 4 1HD2 LEU 4 -7.349 -12.181 -2.895 37 HD22 LEU 4 2HD2 LEU 4 -8.451 -13.041 -1.826 38 HD23 LEU 4 3HD2 LEU 4 -8.800 -11.382 -2.299 39 H ALA 5 HN ALA 5 -6.783 -13.658 -2.065 40 HA ALA 5 HA ALA 5 -5.174 -15.638 -0.929 41 HB1 ALA 5 1HB ALA 5 -6.112 -14.301 1.259 42 HB2 ALA 5 2HB ALA 5 -6.438 -13.136 -0.023 43 HB3 ALA 5 3HB ALA 5 -4.796 -13.731 0.233 44 H SER 6 HN SER 6 -5.554 -17.383 0.325 45 HA SER 6 HA SER 6 -8.233 -18.424 0.451 46 HB2 SER 6 2HB SER 6 -6.256 -19.867 0.080 47 HB3 SER 6 1HB SER 6 -5.681 -19.468 1.696 48 HG SER 6 HG SER 6 -7.038 -20.867 2.468 49 H ASP 7 HN ASP 7 -9.270 -19.139 2.415 50 HA ASP 7 HA ASP 7 -9.170 -17.116 4.483 51 HB2 ASP 7 2HB ASP 7 -10.879 -19.035 5.423 52 HB3 ASP 7 1HB ASP 7 -11.351 -17.706 4.366 53 H GLU 8 HN GLU 8 -9.079 -20.666 4.603 54 HA GLU 8 HA GLU 8 -8.460 -21.533 6.923 55 HB2 GLU 8 2HB GLU 8 -6.554 -21.955 4.614 56 HB3 GLU 8 1HB GLU 8 -6.603 -22.948 6.072 57 HG2 GLU 8 2HG GLU 8 -8.750 -23.787 5.575 58 HG3 GLU 8 1HG GLU 8 -9.088 -22.490 4.429 59 H GLU 9 HN GLU 9 -5.838 -19.803 5.202 60 HA GLU 9 HA GLU 9 -4.966 -18.201 7.266 61 HB2 GLU 9 2HB GLU 9 -4.298 -20.975 7.776 62 HB3 GLU 9 1HB GLU 9 -2.829 -20.042 7.560 63 HG2 GLU 9 2HG GLU 9 -3.468 -18.473 9.264 64 HG3 GLU 9 1HG GLU 9 -5.082 -19.170 9.378 65 H ILE 10 HN ILE 10 -5.116 -18.387 4.367 66 HA ILE 10 HA ILE 10 -3.900 -17.921 2.477 67 HB ILE 10 HB ILE 10 -2.096 -16.527 4.479 68 HG12 ILE 10 2HG1 ILE 10 -4.520 -15.430 3.017 69 HG13 ILE 10 1HG1 ILE 10 -4.560 -15.983 4.690 70 HG21 ILE 10 1HG2 ILE 10 -2.036 -14.940 2.345 71 HG22 ILE 10 2HG2 ILE 10 -2.441 -16.429 1.502 72 HG23 ILE 10 3HG2 ILE 10 -0.966 -16.333 2.461 73 HD11 ILE 10 1HD1 ILE 10 -3.759 -13.424 3.706 74 HD12 ILE 10 2HD1 ILE 10 -2.331 -14.202 4.386 75 HD13 ILE 10 3HD1 ILE 10 -3.773 -13.987 5.380 76 H GLN 11 HN GLN 11 -1.440 -17.913 1.624 77 HA GLN 11 HA GLN 11 -0.553 -20.587 1.820 78 HB2 GLN 11 2HB GLN 11 0.657 -18.077 0.692 79 HB3 GLN 11 1HB GLN 11 1.563 -19.589 0.713 80 HG2 GLN 11 2HG GLN 11 -1.231 -19.392 -0.424 81 HG3 GLN 11 1HG GLN 11 0.209 -19.134 -1.407 82 HE21 GLN 11 1HE2 GLN 11 -1.816 -21.560 0.045 83 HE22 GLN 11 2HE2 GLN 11 -0.894 -22.904 -0.430 84 H ASP 12 HN ASP 12 1.520 -17.811 2.596 85 HA ASP 12 HA ASP 12 2.450 -19.262 5.006 86 HB2 ASP 12 2HB ASP 12 4.273 -19.305 3.505 87 HB3 ASP 12 1HB ASP 12 3.969 -17.657 2.959 88 H VAL 13 HN VAL 13 3.283 -16.019 3.905 89 HA VAL 13 HA VAL 13 3.198 -14.004 4.994 90 HB VAL 13 HB VAL 13 0.408 -15.010 5.584 91 HG11 VAL 13 1HG1 VAL 13 0.278 -12.294 5.266 92 HG12 VAL 13 2HG1 VAL 13 1.825 -12.471 6.089 93 HG13 VAL 13 3HG1 VAL 13 0.356 -13.106 6.829 94 HG21 VAL 13 1HG2 VAL 13 -0.183 -13.798 3.524 95 HG22 VAL 13 2HG2 VAL 13 1.023 -15.038 3.180 96 HG23 VAL 13 3HG2 VAL 13 1.506 -13.348 3.294 97 H SER 14 HN SER 14 4.547 -13.921 6.685 98 HA SER 14 HA SER 14 3.731 -13.652 9.283 99 HB2 SER 14 2HB SER 14 4.871 -16.023 10.002 100 HB3 SER 14 1HB SER 14 3.134 -15.758 9.868 101 HG SER 14 HG SER 14 3.149 -16.661 7.872 102 H GLY 15 HN GLY 15 5.356 -12.060 8.942 103 HA2 GLY 15 2HA GLY 15 7.676 -12.119 10.179 104 HA3 GLY 15 1HA GLY 15 8.129 -12.993 8.719 105 H THR 16 HN THR 16 9.626 -11.290 8.218 106 HA THR 16 HA THR 16 8.503 -8.678 7.602 107 HB THR 16 HB THR 16 11.325 -9.209 6.950 108 HG1 THR 16 1HG THR 16 10.595 -8.885 9.643 109 HG21 THR 16 1HG2 THR 16 10.179 -6.984 6.843 110 HG22 THR 16 2HG2 THR 16 11.564 -7.001 7.941 111 HG23 THR 16 3HG2 THR 16 9.924 -7.078 8.586 112 H TRP 17 HN TRP 17 8.726 -7.656 5.577 113 HA TRP 17 HA TRP 17 9.250 -9.418 3.282 114 HB2 TRP 17 2HB TRP 17 6.701 -7.959 3.902 115 HB3 TRP 17 1HB TRP 17 7.162 -8.274 2.235 116 HD1 TRP 17 1HD TRP 17 6.742 -10.318 5.523 117 HE1 TRP 17 1HE TRP 17 5.836 -12.634 4.900 118 HE3 TRP 17 3HE TRP 17 6.659 -9.861 0.468 119 HZ2 TRP 17 2HZ TRP 17 5.164 -14.119 2.541 120 HZ3 TRP 17 3HZ TRP 17 5.882 -11.738 -0.964 121 HH2 TRP 17 2HH TRP 17 5.133 -13.866 0.070 122 H TYR 18 HN TYR 18 9.031 -7.955 1.186 123 HA TYR 18 HA TYR 18 10.216 -5.310 1.767 124 HB2 TYR 18 2HB TYR 18 11.117 -7.439 -0.165 125 HB3 TYR 18 1HB TYR 18 11.487 -5.739 -0.449 126 HD1 TYR 18 1HD TYR 18 12.564 -8.705 1.172 127 HD2 TYR 18 2HD TYR 18 12.480 -4.433 1.612 128 HE1 TYR 18 1HE TYR 18 14.443 -8.833 2.787 129 HE2 TYR 18 2HE TYR 18 14.360 -4.562 3.223 130 HH TYR 18 HH TYR 18 15.220 -7.100 4.842 131 H LEU 19 HN LEU 19 9.739 -3.685 0.190 132 HA LEU 19 HA LEU 19 7.341 -4.278 -1.426 133 HB2 LEU 19 2HB LEU 19 7.121 -2.562 0.395 134 HB3 LEU 19 1HB LEU 19 8.356 -1.602 -0.414 135 HG LEU 19 HG LEU 19 6.101 -2.481 -2.130 136 HD11 LEU 19 1HD1 LEU 19 5.776 -0.651 0.244 137 HD12 LEU 19 2HD1 LEU 19 4.714 -1.952 -0.299 138 HD13 LEU 19 3HD1 LEU 19 4.792 -0.439 -1.202 139 HD21 LEU 19 1HD2 LEU 19 8.101 -0.853 -2.607 140 HD22 LEU 19 2HD2 LEU 19 7.127 0.319 -1.724 141 HD23 LEU 19 3HD2 LEU 19 6.494 -0.426 -3.191 142 H LYS 20 HN LYS 20 7.625 -4.264 -3.571 143 HA LYS 20 HA LYS 20 10.132 -3.079 -4.609 144 HB2 LYS 20 2HB LYS 20 8.516 -5.203 -5.987 145 HB3 LYS 20 1HB LYS 20 10.216 -4.778 -6.213 146 HG2 LYS 20 2HG LYS 20 10.347 -5.357 -3.617 147 HG3 LYS 20 1HG LYS 20 8.941 -6.350 -3.997 148 HD2 LYS 20 2HD LYS 20 11.682 -6.496 -5.286 149 HD3 LYS 20 1HD LYS 20 10.922 -7.715 -4.267 150 HE2 LYS 20 2HE LYS 20 10.225 -6.927 -7.090 151 HE3 LYS 20 1HE LYS 20 10.549 -8.531 -6.437 152 HZ1 LYS 20 1HZ LYS 20 8.146 -7.938 -6.895 153 HZ2 LYS 20 2HZ LYS 20 8.237 -6.920 -5.539 154 HZ3 LYS 20 3HZ LYS 20 8.491 -8.590 -5.368 155 H ALA 21 HN ALA 21 6.824 -2.532 -4.587 156 HA ALA 21 HA ALA 21 7.075 -0.506 -6.622 157 HB1 ALA 21 1HB ALA 21 6.484 -2.946 -7.653 158 HB2 ALA 21 2HB ALA 21 5.943 -1.424 -8.362 159 HB3 ALA 21 3HB ALA 21 4.864 -2.340 -7.310 160 H MET 22 HN MET 22 5.644 1.137 -6.242 161 HA MET 22 HA MET 22 3.271 0.548 -4.629 162 HB2 MET 22 2HB MET 22 4.620 1.214 -2.869 163 HB3 MET 22 1HB MET 22 5.547 2.332 -3.861 164 HG2 MET 22 2HG MET 22 3.867 3.987 -3.793 165 HG3 MET 22 1HG MET 22 2.615 2.825 -3.341 166 HE1 MET 22 1HE MET 22 4.726 5.604 -2.192 167 HE2 MET 22 2HE MET 22 4.049 5.685 -0.564 168 HE3 MET 22 3HE MET 22 2.972 5.585 -1.959 169 H THR 23 HN THR 23 1.656 1.205 -5.767 170 HA THR 23 HA THR 23 1.766 3.300 -7.734 171 HB THR 23 HB THR 23 -0.909 2.964 -7.263 172 HG1 THR 23 1HG THR 23 -0.067 1.388 -5.600 173 HG21 THR 23 1HG2 THR 23 -0.915 1.402 -9.101 174 HG22 THR 23 2HG2 THR 23 0.787 1.017 -8.837 175 HG23 THR 23 3HG2 THR 23 0.321 2.620 -9.411 176 H VAL 24 HN VAL 24 1.549 5.490 -7.346 177 HA VAL 24 HA VAL 24 0.870 6.240 -4.599 178 HB VAL 24 HB VAL 24 1.722 8.181 -6.725 179 HG11 VAL 24 1HG1 VAL 24 2.614 9.368 -4.832 180 HG12 VAL 24 2HG1 VAL 24 2.380 7.969 -3.781 181 HG13 VAL 24 3HG1 VAL 24 0.983 8.863 -4.387 182 HG21 VAL 24 1HG2 VAL 24 3.451 6.252 -5.153 183 HG22 VAL 24 2HG2 VAL 24 4.069 7.654 -6.030 184 HG23 VAL 24 3HG2 VAL 24 3.297 6.336 -6.909 185 H ASP 25 HN ASP 25 0.151 8.728 -6.874 186 HA ASP 25 HA ASP 25 -2.397 8.370 -7.747 187 HB2 ASP 25 2HB ASP 25 -2.362 8.537 -4.815 188 HB3 ASP 25 1HB ASP 25 -3.324 9.806 -5.555 189 H ARG 26 HN ARG 26 -3.571 10.512 -7.988 190 HA ARG 26 HA ARG 26 -1.543 12.592 -8.385 191 HB2 ARG 26 2HB ARG 26 -4.355 12.431 -9.480 192 HB3 ARG 26 1HB ARG 26 -3.110 13.580 -9.957 193 HG2 ARG 26 2HG ARG 26 -2.563 10.625 -10.164 194 HG3 ARG 26 1HG ARG 26 -3.504 11.430 -11.412 195 HD2 ARG 26 2HD ARG 26 -0.712 12.197 -10.519 196 HD3 ARG 26 1HD ARG 26 -1.137 11.403 -12.031 197 HE ARG 26 HE ARG 26 -1.374 14.209 -11.447 198 HH11 ARG 26 1HH1 ARG 26 -2.209 15.508 -13.113 199 HH12 ARG 26 2HH1 ARG 26 -3.047 14.772 -14.439 200 HH21 ARG 26 1HH2 ARG 26 -2.664 11.543 -13.233 201 HH22 ARG 26 2HH2 ARG 26 -3.305 12.527 -14.507 202 H GLU 27 HN GLU 27 -4.192 11.923 -6.281 203 HA GLU 27 HA GLU 27 -4.653 14.762 -5.749 204 HB2 GLU 27 2HB GLU 27 -6.659 13.513 -5.792 205 HB3 GLU 27 1HB GLU 27 -5.970 12.220 -4.808 206 HG2 GLU 27 2HG GLU 27 -6.080 13.481 -2.840 207 HG3 GLU 27 1HG GLU 27 -6.124 15.013 -3.708 208 H PHE 28 HN PHE 28 -3.261 11.916 -4.226 209 HA PHE 28 HA PHE 28 -2.926 12.262 -1.668 210 HB2 PHE 28 2HB PHE 28 -0.910 11.635 -3.756 211 HB3 PHE 28 1HB PHE 28 -0.308 11.935 -2.127 212 HD1 PHE 28 1HD PHE 28 -3.627 10.461 -2.994 213 HD2 PHE 28 2HD PHE 28 0.338 9.724 -1.504 214 HE1 PHE 28 1HE PHE 28 -4.310 8.182 -2.303 215 HE2 PHE 28 2HE PHE 28 -0.349 7.444 -0.814 216 HZ PHE 28 HZ PHE 28 -2.671 6.673 -1.212 217 HA PRO 29 HA PRO 29 -1.632 16.441 -0.821 218 HB2 PRO 29 2HB PRO 29 -0.669 16.158 1.723 219 HB3 PRO 29 1HB PRO 29 -2.396 16.125 1.325 220 HG2 PRO 29 2HG PRO 29 -0.532 13.852 1.822 221 HG3 PRO 29 1HG PRO 29 -2.198 14.089 2.382 222 HD2 PRO 29 2HD PRO 29 -1.590 12.492 0.259 223 HD3 PRO 29 1HD PRO 29 -3.119 13.388 0.374 224 H GLU 30 HN GLU 30 0.124 15.688 -2.547 225 HA GLU 30 HA GLU 30 2.297 15.761 -3.273 226 HB2 GLU 30 2HB GLU 30 2.516 17.600 -0.885 227 HB3 GLU 30 1HB GLU 30 3.674 17.507 -2.214 228 HG2 GLU 30 2HG GLU 30 0.956 17.802 -3.204 229 HG3 GLU 30 1HG GLU 30 1.388 19.119 -2.115 230 H MET 31 HN MET 31 1.663 14.267 -0.323 231 HA MET 31 HA MET 31 4.086 13.849 0.884 232 HB2 MET 31 2HB MET 31 3.231 11.778 1.723 233 HB3 MET 31 1HB MET 31 1.873 12.896 1.625 234 HG2 MET 31 2HG MET 31 1.598 11.849 -0.784 235 HG3 MET 31 1HG MET 31 2.493 10.507 -0.072 236 HE1 MET 31 1HE MET 31 0.386 9.315 2.857 237 HE2 MET 31 2HE MET 31 1.717 10.468 2.909 238 HE3 MET 31 3HE MET 31 1.801 9.082 1.823 239 H ASN 32 HN ASN 32 5.957 13.320 0.050 240 HA ASN 32 HA ASN 32 6.023 11.527 -2.297 241 HB2 ASN 32 2HB ASN 32 8.254 12.522 -2.734 242 HB3 ASN 32 1HB ASN 32 6.956 13.716 -2.764 243 HD21 ASN 32 1HD2 ASN 32 6.761 15.164 -0.857 244 HD22 ASN 32 2HD2 ASN 32 8.094 15.407 0.164 245 H LEU 33 HN LEU 33 6.121 9.527 -1.301 246 HA LEU 33 HA LEU 33 7.701 8.898 0.931 247 HB2 LEU 33 2HB LEU 33 5.945 7.407 0.319 248 HB3 LEU 33 1HB LEU 33 6.556 7.244 -1.317 249 HG LEU 33 HG LEU 33 8.526 6.047 -0.498 250 HD11 LEU 33 1HD1 LEU 33 7.415 6.937 2.133 251 HD12 LEU 33 2HD1 LEU 33 9.094 6.870 1.595 252 HD13 LEU 33 3HD1 LEU 33 8.255 5.391 2.065 253 HD21 LEU 33 1HD2 LEU 33 7.382 4.057 0.471 254 HD22 LEU 33 2HD2 LEU 33 6.535 4.698 -0.942 255 HD23 LEU 33 3HD2 LEU 33 5.927 5.029 0.683 256 H GLU 34 HN GLU 34 9.837 9.027 1.072 257 HA GLU 34 HA GLU 34 11.458 8.965 -1.357 258 HB2 GLU 34 2HB GLU 34 12.129 9.616 1.513 259 HB3 GLU 34 1HB GLU 34 13.296 9.652 0.191 260 HG2 GLU 34 2HG GLU 34 11.905 11.314 -0.991 261 HG3 GLU 34 1HG GLU 34 10.745 11.286 0.336 262 H SER 35 HN SER 35 10.904 7.026 1.535 263 HA SER 35 HA SER 35 12.220 4.766 0.310 264 HB2 SER 35 2HB SER 35 14.142 4.610 1.555 265 HB3 SER 35 1HB SER 35 13.997 6.365 1.505 266 HG SER 35 HG SER 35 13.172 6.356 3.534 267 H VAL 36 HN VAL 36 12.034 2.808 1.655 268 HA VAL 36 HA VAL 36 10.066 3.080 3.811 269 HB VAL 36 HB VAL 36 9.012 2.455 1.590 270 HG11 VAL 36 1HG1 VAL 36 10.930 0.922 0.947 271 HG12 VAL 36 2HG1 VAL 36 9.326 0.208 0.778 272 HG13 VAL 36 3HG1 VAL 36 10.331 -0.220 2.154 273 HG21 VAL 36 1HG2 VAL 36 8.785 0.437 3.848 274 HG22 VAL 36 2HG2 VAL 36 7.558 0.786 2.630 275 HG23 VAL 36 3HG2 VAL 36 7.986 2.010 3.826 276 H THR 37 HN THR 37 9.969 1.352 5.281 277 HA THR 37 HA THR 37 12.540 -0.065 5.507 278 HB THR 37 HB THR 37 11.950 -0.287 7.897 279 HG1 THR 37 1HG THR 37 9.598 0.962 6.972 280 HG21 THR 37 1HG2 THR 37 12.382 1.942 8.473 281 HG22 THR 37 2HG2 THR 37 11.441 2.570 7.116 282 HG23 THR 37 3HG2 THR 37 13.015 1.822 6.831 283 HA PRO 38 HA PRO 38 10.972 -4.133 4.659 284 HB2 PRO 38 2HB PRO 38 11.664 -4.698 7.525 285 HB3 PRO 38 1HB PRO 38 12.004 -5.665 6.076 286 HG2 PRO 38 2HG PRO 38 13.859 -4.110 7.242 287 HG3 PRO 38 1HG PRO 38 13.818 -4.410 5.498 288 HD2 PRO 38 2HD PRO 38 13.255 -1.922 6.948 289 HD3 PRO 38 1HD PRO 38 13.558 -2.161 5.217 290 H MET 39 HN MET 39 8.886 -4.803 4.639 291 HA MET 39 HA MET 39 7.018 -3.673 6.524 292 HB2 MET 39 2HB MET 39 6.479 -3.697 4.153 293 HB3 MET 39 1HB MET 39 6.675 -5.448 4.100 294 HG2 MET 39 2HG MET 39 4.613 -5.790 4.889 295 HG3 MET 39 1HG MET 39 4.801 -4.600 6.173 296 HE1 MET 39 1HE MET 39 3.712 -3.958 1.806 297 HE2 MET 39 2HE MET 39 2.921 -5.256 2.698 298 HE3 MET 39 3HE MET 39 4.677 -5.229 2.571 299 H THR 40 HN THR 40 6.174 -4.680 8.263 300 HA THR 40 HA THR 40 6.887 -7.510 8.623 301 HB THR 40 HB THR 40 6.010 -5.684 10.831 302 HG1 THR 40 1HG THR 40 7.985 -5.138 9.322 303 HG21 THR 40 1HG2 THR 40 8.077 -7.844 10.982 304 HG22 THR 40 2HG2 THR 40 6.373 -8.294 10.918 305 HG23 THR 40 3HG2 THR 40 6.971 -7.273 12.227 306 H LEU 41 HN LEU 41 5.305 -8.882 8.171 307 HA LEU 41 HA LEU 41 2.507 -8.077 8.719 308 HB2 LEU 41 2HB LEU 41 3.568 -10.491 7.201 309 HB3 LEU 41 1HB LEU 41 1.878 -10.047 7.374 310 HG LEU 41 HG LEU 41 2.700 -9.308 5.199 311 HD11 LEU 41 1HD1 LEU 41 1.193 -7.838 6.793 312 HD12 LEU 41 2HD1 LEU 41 1.784 -7.182 5.264 313 HD13 LEU 41 3HD1 LEU 41 2.595 -6.767 6.774 314 HD21 LEU 41 1HD2 LEU 41 4.549 -7.340 6.454 315 HD22 LEU 41 2HD2 LEU 41 4.632 -8.113 4.874 316 HD23 LEU 41 3HD2 LEU 41 5.099 -9.002 6.316 317 H THR 42 HN THR 42 1.932 -8.557 10.770 318 HA THR 42 HA THR 42 2.955 -11.019 11.983 319 HB THR 42 HB THR 42 2.804 -9.991 13.982 320 HG1 THR 42 1HG THR 42 0.940 -8.604 14.445 321 HG21 THR 42 1HG2 THR 42 3.823 -8.270 12.518 322 HG22 THR 42 2HG2 THR 42 2.954 -7.561 13.880 323 HG23 THR 42 3HG2 THR 42 2.230 -7.561 12.274 324 H THR 43 HN THR 43 1.804 -12.534 10.958 325 HA THR 43 HA THR 43 -0.970 -12.478 10.473 326 HB THR 43 HB THR 43 0.776 -14.912 10.855 327 HG1 THR 43 1HG THR 43 1.663 -14.206 9.095 328 HG21 THR 43 1HG2 THR 43 -1.607 -15.435 10.898 329 HG22 THR 43 2HG2 THR 43 -0.921 -15.960 9.360 330 HG23 THR 43 3HG2 THR 43 -1.868 -14.474 9.441 331 H LEU 44 HN LEU 44 -2.383 -12.116 12.083 332 HA LEU 44 HA LEU 44 -1.946 -13.229 14.711 333 HB2 LEU 44 2HB LEU 44 -4.525 -12.017 13.752 334 HB3 LEU 44 1HB LEU 44 -3.884 -12.063 15.389 335 HG LEU 44 HG LEU 44 -2.776 -10.477 13.055 336 HD11 LEU 44 1HD1 LEU 44 -3.494 -8.549 14.253 337 HD12 LEU 44 2HD1 LEU 44 -3.798 -9.479 15.720 338 HD13 LEU 44 3HD1 LEU 44 -4.858 -9.665 14.321 339 HD21 LEU 44 1HD2 LEU 44 -1.741 -10.979 15.856 340 HD22 LEU 44 2HD2 LEU 44 -1.245 -9.576 14.910 341 HD23 LEU 44 3HD2 LEU 44 -0.887 -11.201 14.329 342 H GLU 45 HN GLU 45 -1.696 -15.351 13.830 343 HA GLU 45 HA GLU 45 -3.615 -16.923 12.590 344 HB2 GLU 45 2HB GLU 45 -1.300 -17.666 13.055 345 HB3 GLU 45 1HB GLU 45 -1.696 -17.789 14.769 346 HG2 GLU 45 2HG GLU 45 -3.366 -19.495 14.313 347 HG3 GLU 45 1HG GLU 45 -3.141 -19.299 12.577 348 H GLY 46 HN GLY 46 -5.603 -16.058 13.478 349 HA2 GLY 46 2HA GLY 46 -7.053 -17.672 15.066 350 HA3 GLY 46 1HA GLY 46 -6.237 -16.641 16.233 351 H GLY 47 HN GLY 47 -6.279 -14.427 14.119 352 HA2 GLY 47 2HA GLY 47 -9.156 -13.790 14.239 353 HA3 GLY 47 1HA GLY 47 -7.988 -12.662 14.914 354 H ASN 48 HN ASN 48 -6.105 -12.191 13.274 355 HA ASN 48 HA ASN 48 -6.887 -12.188 10.496 356 HB2 ASN 48 2HB ASN 48 -6.626 -9.390 11.190 357 HB3 ASN 48 1HB ASN 48 -7.889 -10.230 10.299 358 HD21 ASN 48 1HD2 ASN 48 -6.948 -9.054 13.482 359 HD22 ASN 48 2HD2 ASN 48 -8.455 -9.326 14.212 360 H LEU 49 HN LEU 49 -5.398 -9.616 9.912 361 HA LEU 49 HA LEU 49 -2.650 -10.614 10.426 362 HB2 LEU 49 2HB LEU 49 -4.063 -10.458 8.003 363 HB3 LEU 49 1HB LEU 49 -2.941 -9.102 7.981 364 HG LEU 49 HG LEU 49 -2.129 -11.959 8.579 365 HD11 LEU 49 1HD1 LEU 49 -2.924 -11.002 6.117 366 HD12 LEU 49 2HD1 LEU 49 -1.795 -12.330 6.363 367 HD13 LEU 49 3HD1 LEU 49 -1.190 -10.696 6.095 368 HD21 LEU 49 1HD2 LEU 49 -0.389 -9.623 7.757 369 HD22 LEU 49 2HD2 LEU 49 0.121 -11.158 8.456 370 HD23 LEU 49 3HD2 LEU 49 -0.711 -9.971 9.451 371 H GLU 50 HN GLU 50 -1.136 -9.073 11.011 372 HA GLU 50 HA GLU 50 -2.024 -6.258 10.965 373 HB2 GLU 50 2HB GLU 50 -1.709 -7.412 13.255 374 HB3 GLU 50 1HB GLU 50 0.010 -7.325 12.891 375 HG2 GLU 50 2HG GLU 50 -0.126 -4.900 12.617 376 HG3 GLU 50 1HG GLU 50 -1.869 -4.950 12.884 377 H ALA 51 HN ALA 51 -0.833 -4.906 9.804 378 HA ALA 51 HA ALA 51 1.833 -5.831 8.950 379 HB1 ALA 51 1HB ALA 51 0.144 -5.794 7.135 380 HB2 ALA 51 2HB ALA 51 1.491 -4.694 6.847 381 HB3 ALA 51 3HB ALA 51 -0.059 -4.063 7.404 382 H LYS 52 HN LYS 52 3.451 -4.673 9.728 383 HA LYS 52 HA LYS 52 2.963 -1.821 10.344 384 HB2 LYS 52 2HB LYS 52 5.081 -3.292 11.813 385 HB3 LYS 52 1HB LYS 52 4.011 -2.001 12.365 386 HG2 LYS 52 2HG LYS 52 2.106 -3.641 12.300 387 HG3 LYS 52 1HG LYS 52 3.275 -4.912 11.941 388 HD2 LYS 52 2HD LYS 52 4.370 -4.636 14.043 389 HD3 LYS 52 1HD LYS 52 3.532 -3.117 14.359 390 HE2 LYS 52 2HE LYS 52 1.617 -4.160 15.045 391 HE3 LYS 52 1HE LYS 52 1.794 -5.470 13.878 392 HZ1 LYS 52 1HZ LYS 52 3.082 -5.163 16.515 393 HZ2 LYS 52 2HZ LYS 52 3.752 -6.178 15.328 394 HZ3 LYS 52 3HZ LYS 52 2.187 -6.473 15.918 395 H VAL 53 HN VAL 53 4.106 -0.492 9.091 396 HA VAL 53 HA VAL 53 6.866 -1.201 8.445 397 HB VAL 53 HB VAL 53 5.435 -2.025 6.570 398 HG11 VAL 53 1HG1 VAL 53 4.229 -0.468 5.185 399 HG12 VAL 53 2HG1 VAL 53 4.808 0.902 6.132 400 HG13 VAL 53 3HG1 VAL 53 3.683 -0.253 6.846 401 HG21 VAL 53 1HG2 VAL 53 7.732 -0.324 6.462 402 HG22 VAL 53 2HG2 VAL 53 6.696 0.082 5.094 403 HG23 VAL 53 3HG2 VAL 53 7.253 -1.575 5.315 404 H THR 54 HN THR 54 8.166 0.556 8.137 405 HA THR 54 HA THR 54 6.961 3.147 8.815 406 HB THR 54 HB THR 54 9.903 2.537 8.883 407 HG1 THR 54 1HG THR 54 9.677 1.723 10.886 408 HG21 THR 54 1HG2 THR 54 10.062 4.459 10.159 409 HG22 THR 54 2HG2 THR 54 8.425 4.297 10.796 410 HG23 THR 54 3HG2 THR 54 8.677 4.876 9.150 411 H MET 55 HN MET 55 6.878 4.691 7.307 412 HA MET 55 HA MET 55 8.495 4.280 4.875 413 HB2 MET 55 2HB MET 55 6.418 6.192 4.480 414 HB3 MET 55 1HB MET 55 6.682 4.669 3.646 415 HG2 MET 55 2HG MET 55 5.578 3.584 5.742 416 HG3 MET 55 1HG MET 55 4.998 5.221 6.081 417 HE1 MET 55 1HE MET 55 4.187 6.707 4.029 418 HE2 MET 55 2HE MET 55 3.245 6.094 2.675 419 HE3 MET 55 3HE MET 55 5.001 5.957 2.650 420 H LEU 56 HN LEU 56 9.420 6.049 3.885 421 HA LEU 56 HA LEU 56 10.019 8.250 5.754 422 HB2 LEU 56 2HB LEU 56 11.983 7.035 4.836 423 HB3 LEU 56 1HB LEU 56 11.454 7.444 3.206 424 HG LEU 56 HG LEU 56 11.638 9.866 3.769 425 HD11 LEU 56 1HD1 LEU 56 11.374 10.139 6.049 426 HD12 LEU 56 2HD1 LEU 56 13.134 10.178 5.946 427 HD13 LEU 56 3HD1 LEU 56 12.313 8.699 6.439 428 HD21 LEU 56 1HD2 LEU 56 13.813 9.829 3.131 429 HD22 LEU 56 2HD2 LEU 56 13.692 8.073 3.226 430 HD23 LEU 56 3HD2 LEU 56 14.309 8.988 4.599 431 H ILE 57 HN ILE 57 8.247 9.544 5.450 432 HA ILE 57 HA ILE 57 7.573 10.337 2.716 433 HB ILE 57 HB ILE 57 6.118 10.635 5.344 434 HG12 ILE 57 2HG1 ILE 57 6.325 8.425 3.869 435 HG13 ILE 57 1HG1 ILE 57 4.799 8.867 4.626 436 HG21 ILE 57 1HG2 ILE 57 5.530 11.720 2.592 437 HG22 ILE 57 2HG2 ILE 57 5.523 12.576 4.134 438 HG23 ILE 57 3HG2 ILE 57 4.245 11.417 3.765 439 HD11 ILE 57 1HD1 ILE 57 5.494 9.776 1.831 440 HD12 ILE 57 2HD1 ILE 57 3.910 9.712 2.599 441 HD13 ILE 57 3HD1 ILE 57 4.724 8.222 2.137 442 H SER 58 HN SER 58 8.298 12.142 1.942 443 HA SER 58 HA SER 58 9.424 14.156 1.805 444 HB2 SER 58 2HB SER 58 7.654 15.088 4.041 445 HB3 SER 58 1HB SER 58 8.136 15.935 2.573 446 HG SER 58 HG SER 58 6.293 15.237 1.844 447 H GLY 59 HN GLY 59 10.962 12.468 3.299 448 HA2 GLY 59 2HA GLY 59 12.769 12.534 4.729 449 HA3 GLY 59 1HA GLY 59 12.513 14.271 4.858 450 H ARG 60 HN ARG 60 10.037 11.936 5.613 451 HA ARG 60 HA ARG 60 10.427 12.387 8.491 452 HB2 ARG 60 2HB ARG 60 8.537 13.759 7.157 453 HB3 ARG 60 1HB ARG 60 7.641 12.274 7.476 454 HG2 ARG 60 2HG ARG 60 7.212 13.540 9.396 455 HG3 ARG 60 1HG ARG 60 8.557 12.516 9.893 456 HD2 ARG 60 2HD ARG 60 9.511 14.479 10.535 457 HD3 ARG 60 1HD ARG 60 9.902 14.636 8.826 458 HE ARG 60 HE ARG 60 7.357 15.697 9.116 459 HH11 ARG 60 1HH1 ARG 60 7.045 17.925 9.439 460 HH12 ARG 60 2HH1 ARG 60 8.322 18.886 10.104 461 HH21 ARG 60 1HH2 ARG 60 10.526 16.225 10.404 462 HH22 ARG 60 2HH2 ARG 60 10.293 17.924 10.651 463 H CYS 61 HN CYS 61 10.321 10.563 9.646 464 HA CYS 61 HA CYS 61 9.742 8.060 8.296 465 HB2 CYS 61 2HB CYS 61 10.655 8.762 11.093 466 HB3 CYS 61 1HB CYS 61 10.304 7.108 10.589 467 H GLN 62 HN GLN 62 7.638 7.650 7.969 468 HA GLN 62 HA GLN 62 5.719 8.226 10.125 469 HB2 GLN 62 2HB GLN 62 5.558 8.051 7.174 470 HB3 GLN 62 1HB GLN 62 4.172 7.418 8.063 471 HG2 GLN 62 2HG GLN 62 5.372 10.128 8.658 472 HG3 GLN 62 1HG GLN 62 4.086 9.905 7.473 473 HE21 GLN 62 1HE2 GLN 62 4.820 9.942 10.911 474 HE22 GLN 62 2HE2 GLN 62 3.217 9.760 11.441 475 H GLU 63 HN GLU 63 5.482 6.583 11.496 476 HA GLU 63 HA GLU 63 5.898 3.830 10.716 477 HB2 GLU 63 2HB GLU 63 5.294 3.326 13.044 478 HB3 GLU 63 1HB GLU 63 6.494 4.618 12.980 479 HG2 GLU 63 2HG GLU 63 4.308 6.146 12.909 480 HG3 GLU 63 1HG GLU 63 3.604 4.749 13.724 481 H VAL 64 HN VAL 64 4.424 2.679 9.664 482 HA VAL 64 HA VAL 64 1.584 3.424 9.967 483 HB VAL 64 HB VAL 64 2.643 1.570 7.860 484 HG11 VAL 64 1HG1 VAL 64 0.448 3.646 7.749 485 HG12 VAL 64 2HG1 VAL 64 0.169 2.001 8.320 486 HG13 VAL 64 3HG1 VAL 64 0.704 2.279 6.663 487 HG21 VAL 64 1HG2 VAL 64 4.108 3.436 7.585 488 HG22 VAL 64 2HG2 VAL 64 2.823 4.589 7.944 489 HG23 VAL 64 3HG2 VAL 64 2.804 3.695 6.425 490 H LYS 65 HN LYS 65 0.082 1.919 10.589 491 HA LYS 65 HA LYS 65 0.929 -0.851 11.090 492 HB2 LYS 65 2HB LYS 65 1.280 0.630 13.168 493 HB3 LYS 65 1HB LYS 65 -0.479 0.733 13.239 494 HG2 LYS 65 2HG LYS 65 -0.200 -1.939 12.934 495 HG3 LYS 65 1HG LYS 65 1.306 -1.579 13.774 496 HD2 LYS 65 2HD LYS 65 -0.223 -1.968 15.530 497 HD3 LYS 65 1HD LYS 65 -0.158 -0.211 15.411 498 HE2 LYS 65 2HE LYS 65 -2.147 -0.867 13.599 499 HE3 LYS 65 1HE LYS 65 -2.403 -2.029 14.900 500 HZ1 LYS 65 1HZ LYS 65 -2.276 0.924 15.130 501 HZ2 LYS 65 2HZ LYS 65 -2.286 -0.124 16.467 502 HZ3 LYS 65 3HZ LYS 65 -3.618 -0.073 15.414 503 H ALA 66 HN ALA 66 -0.477 -1.642 9.592 504 HA ALA 66 HA ALA 66 -3.310 -0.899 9.833 505 HB1 ALA 66 1HB ALA 66 -3.389 -2.171 7.570 506 HB2 ALA 66 2HB ALA 66 -1.637 -1.976 7.585 507 HB3 ALA 66 3HB ALA 66 -2.681 -0.556 7.610 508 H VAL 67 HN VAL 67 -4.835 -2.371 10.196 509 HA VAL 67 HA VAL 67 -3.953 -5.115 10.792 510 HB VAL 67 HB VAL 67 -6.458 -4.028 11.983 511 HG11 VAL 67 1HG1 VAL 67 -5.893 -5.576 13.735 512 HG12 VAL 67 2HG1 VAL 67 -4.245 -5.748 13.128 513 HG13 VAL 67 3HG1 VAL 67 -5.598 -6.404 12.206 514 HG21 VAL 67 1HG2 VAL 67 -3.642 -3.286 12.809 515 HG22 VAL 67 2HG2 VAL 67 -5.002 -3.224 13.931 516 HG23 VAL 67 3HG2 VAL 67 -4.997 -2.202 12.493 517 H LEU 68 HN LEU 68 -4.617 -6.499 9.276 518 HA LEU 68 HA LEU 68 -6.849 -5.795 7.584 519 HB2 LEU 68 2HB LEU 68 -5.134 -8.286 7.598 520 HB3 LEU 68 1HB LEU 68 -6.150 -7.713 6.280 521 HG LEU 68 HG LEU 68 -3.728 -6.270 7.398 522 HD11 LEU 68 1HD1 LEU 68 -3.571 -8.409 5.856 523 HD12 LEU 68 2HD1 LEU 68 -2.554 -7.008 5.530 524 HD13 LEU 68 3HD1 LEU 68 -4.019 -7.275 4.583 525 HD21 LEU 68 1HD2 LEU 68 -4.250 -4.993 5.111 526 HD22 LEU 68 2HD2 LEU 68 -5.031 -4.516 6.619 527 HD23 LEU 68 3HD2 LEU 68 -5.893 -5.531 5.463 528 H GLU 69 HN GLU 69 -8.532 -5.886 9.223 529 HA GLU 69 HA GLU 69 -9.031 -8.255 10.708 530 HB2 GLU 69 2HB GLU 69 -10.888 -5.981 9.978 531 HB3 GLU 69 1HB GLU 69 -11.194 -7.203 11.214 532 HG2 GLU 69 2HG GLU 69 -8.773 -5.383 11.230 533 HG3 GLU 69 1HG GLU 69 -10.262 -5.029 12.104 534 H LYS 70 HN LYS 70 -9.965 -10.089 10.100 535 HA LYS 70 HA LYS 70 -10.750 -10.559 7.408 536 HB2 LYS 70 2HB LYS 70 -9.941 -12.245 9.201 537 HB3 LYS 70 1HB LYS 70 -11.625 -12.270 9.724 538 HG2 LYS 70 2HG LYS 70 -12.294 -12.823 7.375 539 HG3 LYS 70 1HG LYS 70 -10.585 -12.932 6.954 540 HD2 LYS 70 2HD LYS 70 -10.663 -15.090 7.605 541 HD3 LYS 70 1HD LYS 70 -10.839 -14.500 9.258 542 HE2 LYS 70 2HE LYS 70 -13.122 -15.026 7.330 543 HE3 LYS 70 1HE LYS 70 -12.659 -16.067 8.675 544 HZ1 LYS 70 1HZ LYS 70 -13.289 -13.219 9.109 545 HZ2 LYS 70 2HZ LYS 70 -13.314 -14.497 10.227 546 HZ3 LYS 70 3HZ LYS 70 -14.523 -14.379 9.041 547 H THR 71 HN THR 71 -12.729 -10.546 6.425 548 HA THR 71 HA THR 71 -15.022 -9.655 8.080 549 HB THR 71 HB THR 71 -15.830 -8.395 6.258 550 HG1 THR 71 1HG THR 71 -13.828 -9.295 4.534 551 HG21 THR 71 1HG2 THR 71 -13.045 -7.824 5.564 552 HG22 THR 71 2HG2 THR 71 -13.327 -7.895 7.303 553 HG23 THR 71 3HG2 THR 71 -14.254 -6.778 6.303 554 H ASP 72 HN ASP 72 -17.097 -10.085 6.447 555 HA ASP 72 HA ASP 72 -17.336 -12.964 6.490 556 HB2 ASP 72 2HB ASP 72 -19.425 -11.191 5.298 557 HB3 ASP 72 1HB ASP 72 -19.613 -12.630 6.298 558 H GLU 73 HN GLU 73 -15.554 -11.484 4.484 559 HA GLU 73 HA GLU 73 -16.458 -13.022 2.161 560 HB2 GLU 73 2HB GLU 73 -17.051 -10.396 2.225 561 HB3 GLU 73 1HB GLU 73 -15.431 -10.312 1.540 562 HG2 GLU 73 2HG GLU 73 -16.884 -10.545 -0.327 563 HG3 GLU 73 1HG GLU 73 -16.185 -12.144 -0.084 564 HA PRO 74 HA PRO 74 -12.007 -13.852 3.195 565 HB2 PRO 74 2HB PRO 74 -12.614 -15.810 1.007 566 HB3 PRO 74 1HB PRO 74 -11.699 -16.046 2.510 567 HG2 PRO 74 2HG PRO 74 -14.189 -16.935 2.271 568 HG3 PRO 74 1HG PRO 74 -13.599 -16.248 3.793 569 HD2 PRO 74 2HD PRO 74 -15.474 -15.072 1.801 570 HD3 PRO 74 1HD PRO 74 -15.378 -14.801 3.556 571 H GLY 75 HN GLY 75 -10.294 -12.891 2.246 572 HA2 GLY 75 2HA GLY 75 -8.910 -12.361 0.367 573 HA3 GLY 75 1HA GLY 75 -10.346 -12.392 -0.654 574 H LYS 76 HN LYS 76 -11.346 -10.844 2.004 575 HA LYS 76 HA LYS 76 -10.348 -8.206 1.219 576 HB2 LYS 76 2HB LYS 76 -12.351 -7.404 0.581 577 HB3 LYS 76 1HB LYS 76 -12.823 -9.087 0.416 578 HG2 LYS 76 2HG LYS 76 -13.690 -9.038 2.745 579 HG3 LYS 76 1HG LYS 76 -13.263 -7.324 2.856 580 HD2 LYS 76 2HD LYS 76 -14.973 -8.236 0.568 581 HD3 LYS 76 1HD LYS 76 -15.708 -8.070 2.163 582 HE2 LYS 76 2HE LYS 76 -14.893 -5.745 2.300 583 HE3 LYS 76 1HE LYS 76 -14.157 -5.911 0.706 584 HZ1 LYS 76 1HZ LYS 76 -16.969 -5.661 1.440 585 HZ2 LYS 76 2HZ LYS 76 -16.604 -6.681 0.129 586 HZ3 LYS 76 3HZ LYS 76 -16.140 -5.046 0.093 587 H TYR 77 HN TYR 77 -9.580 -7.208 2.897 588 HA TYR 77 HA TYR 77 -10.622 -7.899 5.575 589 HB2 TYR 77 2HB TYR 77 -7.904 -6.862 4.763 590 HB3 TYR 77 1HB TYR 77 -8.423 -7.200 6.414 591 HD1 TYR 77 1HD TYR 77 -7.639 -8.704 3.126 592 HD2 TYR 77 2HD TYR 77 -8.669 -9.470 7.221 593 HE1 TYR 77 1HE TYR 77 -7.041 -11.090 2.833 594 HE2 TYR 77 2HE TYR 77 -8.071 -11.854 6.928 595 HH TYR 77 HH TYR 77 -6.935 -13.089 3.779 596 H THR 78 HN THR 78 -10.528 -6.139 7.161 597 HA THR 78 HA THR 78 -10.855 -3.481 5.940 598 HB THR 78 HB THR 78 -12.733 -3.180 7.700 599 HG1 THR 78 1HG THR 78 -13.610 -4.997 8.466 600 HG21 THR 78 1HG2 THR 78 -13.112 -4.985 5.294 601 HG22 THR 78 2HG2 THR 78 -13.119 -3.221 5.274 602 HG23 THR 78 3HG2 THR 78 -14.396 -4.099 6.114 603 H ALA 79 HN ALA 79 -10.585 -1.703 7.445 604 HA ALA 79 HA ALA 79 -9.197 -2.419 9.947 605 HB1 ALA 79 1HB ALA 79 -7.388 -0.931 9.514 606 HB2 ALA 79 2HB ALA 79 -8.183 -0.271 8.087 607 HB3 ALA 79 3HB ALA 79 -7.562 -1.921 8.066 608 H ASP 80 HN ASP 80 -9.519 -1.033 11.628 609 HA ASP 80 HA ASP 80 -10.367 0.721 12.847 610 HB2 ASP 80 2HB ASP 80 -11.274 2.139 10.377 611 HB3 ASP 80 1HB ASP 80 -10.640 2.805 11.879 612 H GLY 81 HN GLY 81 -12.285 -0.390 10.077 613 HA2 GLY 81 2HA GLY 81 -14.394 -1.508 11.228 614 HA3 GLY 81 1HA GLY 81 -14.772 0.186 11.514 615 H GLY 82 HN GLY 82 -13.126 -0.955 8.622 616 HA2 GLY 82 2HA GLY 82 -14.182 -1.502 6.526 617 HA3 GLY 82 1HA GLY 82 -15.610 -0.619 7.057 618 H LYS 83 HN LYS 83 -13.150 1.212 8.050 619 HA LYS 83 HA LYS 83 -13.562 3.287 6.188 620 HB2 LYS 83 2HB LYS 83 -11.311 2.788 8.135 621 HB3 LYS 83 1HB LYS 83 -11.397 4.236 7.135 622 HG2 LYS 83 2HG LYS 83 -13.947 3.692 8.449 623 HG3 LYS 83 1HG LYS 83 -12.645 3.848 9.618 624 HD2 LYS 83 2HD LYS 83 -13.555 6.048 9.271 625 HD3 LYS 83 1HD LYS 83 -11.978 6.008 8.490 626 HE2 LYS 83 2HE LYS 83 -14.440 5.328 6.896 627 HE3 LYS 83 1HE LYS 83 -14.041 7.014 7.208 628 HZ1 LYS 83 1HZ LYS 83 -11.670 6.001 6.451 629 HZ2 LYS 83 2HZ LYS 83 -12.752 6.804 5.418 630 HZ3 LYS 83 3HZ LYS 83 -12.738 5.107 5.484 631 H HIS 84 HN HIS 84 -10.908 0.965 6.478 632 HA HIS 84 HA HIS 84 -10.195 1.507 3.684 633 HB2 HIS 84 2HB HIS 84 -8.494 0.904 6.089 634 HB3 HIS 84 1HB HIS 84 -7.914 0.540 4.465 635 HD1 HIS 84 1HD HIS 84 -9.261 3.023 3.071 636 HD2 HIS 84 2HD HIS 84 -6.899 3.196 6.500 637 HE1 HIS 84 1HE HIS 84 -8.355 5.387 3.198 638 H VAL 85 HN VAL 85 -10.371 -0.163 2.343 639 HA VAL 85 HA VAL 85 -10.827 -2.837 3.519 640 HB VAL 85 HB VAL 85 -11.594 -1.982 0.747 641 HG11 VAL 85 1HG1 VAL 85 -12.947 -3.916 0.754 642 HG12 VAL 85 2HG1 VAL 85 -12.867 -4.069 2.508 643 HG13 VAL 85 3HG1 VAL 85 -11.450 -4.440 1.524 644 HG21 VAL 85 1HG2 VAL 85 -13.910 -1.694 1.758 645 HG22 VAL 85 2HG2 VAL 85 -12.746 -0.443 2.199 646 HG23 VAL 85 3HG2 VAL 85 -13.134 -1.730 3.342 647 H ALA 86 HN ALA 86 -8.852 -3.760 3.526 648 HA ALA 86 HA ALA 86 -7.137 -3.531 1.200 649 HB1 ALA 86 1HB ALA 86 -5.492 -3.591 2.683 650 HB2 ALA 86 2HB ALA 86 -5.964 -5.226 3.142 651 HB3 ALA 86 3HB ALA 86 -6.663 -3.841 3.981 652 H TYR 87 HN TYR 87 -6.308 -5.184 0.052 653 HA TYR 87 HA TYR 87 -7.592 -7.820 0.380 654 HB2 TYR 87 2HB TYR 87 -7.094 -6.340 -2.214 655 HB3 TYR 87 1HB TYR 87 -7.595 -8.019 -2.108 656 HD1 TYR 87 1HD TYR 87 -8.598 -4.634 -0.846 657 HD2 TYR 87 2HD TYR 87 -9.862 -8.519 -2.174 658 HE1 TYR 87 1HE TYR 87 -10.966 -3.903 -0.726 659 HE2 TYR 87 2HE TYR 87 -12.229 -7.788 -2.057 660 HH TYR 87 HH TYR 87 -13.313 -5.043 -2.178 661 H ILE 88 HN ILE 88 -6.233 -9.501 0.201 662 HA ILE 88 HA ILE 88 -3.401 -8.953 -0.493 663 HB ILE 88 HB ILE 88 -4.178 -11.324 1.158 664 HG12 ILE 88 2HG1 ILE 88 -4.013 -8.449 2.107 665 HG13 ILE 88 1HG1 ILE 88 -5.373 -9.555 2.286 666 HG21 ILE 88 1HG2 ILE 88 -1.856 -9.503 1.665 667 HG22 ILE 88 2HG2 ILE 88 -1.808 -10.516 0.218 668 HG23 ILE 88 3HG2 ILE 88 -1.958 -11.259 1.810 669 HD11 ILE 88 1HD1 ILE 88 -2.871 -9.370 3.854 670 HD12 ILE 88 2HD1 ILE 88 -3.390 -11.010 3.461 671 HD13 ILE 88 3HD1 ILE 88 -4.470 -9.934 4.346 672 H ILE 89 HN ILE 89 -2.855 -9.776 -2.437 673 HA ILE 89 HA ILE 89 -4.147 -12.293 -3.270 674 HB ILE 89 HB ILE 89 -3.017 -10.733 -5.443 675 HG12 ILE 89 2HG1 ILE 89 -3.649 -8.821 -3.985 676 HG13 ILE 89 1HG1 ILE 89 -4.636 -8.903 -5.437 677 HG21 ILE 89 1HG2 ILE 89 -5.366 -11.028 -6.316 678 HG22 ILE 89 2HG2 ILE 89 -5.773 -11.823 -4.801 679 HG23 ILE 89 3HG2 ILE 89 -4.562 -12.533 -5.872 680 HD11 ILE 89 1HD1 ILE 89 -5.536 -8.849 -2.772 681 HD12 ILE 89 2HD1 ILE 89 -5.836 -10.485 -3.345 682 HD13 ILE 89 3HD1 ILE 89 -6.506 -9.112 -4.220 683 H ARG 90 HN ARG 90 -2.882 -13.721 -4.505 684 HA ARG 90 HA ARG 90 -0.018 -13.605 -3.859 685 HB2 ARG 90 2HB ARG 90 -0.282 -16.053 -4.892 686 HB3 ARG 90 1HB ARG 90 -0.689 -15.705 -3.211 687 HG2 ARG 90 2HG ARG 90 -3.019 -15.547 -3.702 688 HG3 ARG 90 1HG ARG 90 -2.720 -15.494 -5.441 689 HD2 ARG 90 2HD ARG 90 -1.995 -17.862 -3.702 690 HD3 ARG 90 1HD ARG 90 -3.519 -17.734 -4.576 691 HE ARG 90 HE ARG 90 -1.518 -17.292 -6.452 692 HH11 ARG 90 1HH1 ARG 90 -0.737 -18.989 -7.744 693 HH12 ARG 90 2HH1 ARG 90 -0.903 -20.627 -7.206 694 HH21 ARG 90 1HH2 ARG 90 -2.490 -19.773 -4.243 695 HH22 ARG 90 2HH2 ARG 90 -1.895 -21.071 -5.225 696 H SER 91 HN SER 91 1.012 -12.449 -5.388 697 HA SER 91 HA SER 91 0.439 -11.913 -7.968 698 HB2 SER 91 2HB SER 91 2.529 -11.084 -8.044 699 HB3 SER 91 1HB SER 91 2.692 -11.654 -6.387 700 HG SER 91 HG SER 91 4.177 -12.397 -8.287 701 H HIS 92 HN HIS 92 1.419 -12.773 -9.993 702 HA HIS 92 HA HIS 92 0.718 -15.551 -10.279 703 HB2 HIS 92 2HB HIS 92 1.893 -13.538 -12.212 704 HB3 HIS 92 1HB HIS 92 1.431 -15.182 -12.656 705 HD1 HIS 92 1HD HIS 92 -0.344 -12.528 -10.550 706 HD2 HIS 92 2HD HIS 92 -1.050 -14.987 -13.842 707 HE1 HIS 92 1HE HIS 92 -2.747 -12.130 -11.239 708 H VAL 93 HN VAL 93 3.439 -13.947 -9.214 709 HA VAL 93 HA VAL 93 5.237 -16.130 -10.086 710 HB VAL 93 HB VAL 93 5.949 -13.334 -9.167 711 HG11 VAL 93 1HG1 VAL 93 8.180 -14.099 -10.253 712 HG12 VAL 93 2HG1 VAL 93 7.545 -15.734 -10.060 713 HG13 VAL 93 3HG1 VAL 93 7.793 -14.710 -8.644 714 HG21 VAL 93 1HG2 VAL 93 6.422 -12.862 -11.483 715 HG22 VAL 93 2HG2 VAL 93 4.792 -13.529 -11.416 716 HG23 VAL 93 3HG2 VAL 93 6.137 -14.540 -11.941 717 H LYS 94 HN LYS 94 6.831 -16.843 -8.515 718 HA LYS 94 HA LYS 94 5.651 -17.224 -5.917 719 HB2 LYS 94 2HB LYS 94 7.074 -18.895 -7.297 720 HB3 LYS 94 1HB LYS 94 8.461 -18.001 -6.671 721 HG2 LYS 94 2HG LYS 94 8.297 -19.442 -4.916 722 HG3 LYS 94 1HG LYS 94 7.007 -18.364 -4.386 723 HD2 LYS 94 2HD LYS 94 5.415 -19.795 -5.771 724 HD3 LYS 94 1HD LYS 94 6.737 -20.952 -5.929 725 HE2 LYS 94 2HE LYS 94 5.663 -21.764 -4.029 726 HE3 LYS 94 1HE LYS 94 6.871 -20.703 -3.306 727 HZ1 LYS 94 1HZ LYS 94 4.687 -19.115 -3.910 728 HZ2 LYS 94 2HZ LYS 94 5.218 -19.595 -2.370 729 HZ3 LYS 94 3HZ LYS 94 4.054 -20.517 -3.196 730 H ASP 95 HN ASP 95 6.625 -16.664 -3.915 731 HA ASP 95 HA ASP 95 7.673 -15.227 -2.429 732 HB2 ASP 95 2HB ASP 95 9.623 -14.304 -4.473 733 HB3 ASP 95 1HB ASP 95 9.891 -14.815 -2.810 734 H HIS 96 HN HIS 96 5.608 -14.318 -4.462 735 HA HIS 96 HA HIS 96 6.074 -11.443 -4.067 736 HB2 HIS 96 2HB HIS 96 5.511 -12.849 -6.652 737 HB3 HIS 96 1HB HIS 96 4.993 -11.178 -6.413 738 HD1 HIS 96 1HD HIS 96 8.166 -13.270 -6.086 739 HD2 HIS 96 2HD HIS 96 7.006 -9.337 -6.835 740 HE1 HIS 96 1HE HIS 96 10.295 -11.971 -6.545 741 H TYR 97 HN TYR 97 4.292 -10.226 -3.620 742 HA TYR 97 HA TYR 97 1.647 -11.476 -3.823 743 HB2 TYR 97 2HB TYR 97 3.058 -10.765 -1.323 744 HB3 TYR 97 1HB TYR 97 1.358 -10.303 -1.425 745 HD1 TYR 97 1HD TYR 97 3.694 -13.160 -1.867 746 HD2 TYR 97 2HD TYR 97 -0.362 -11.922 -1.201 747 HE1 TYR 97 1HE TYR 97 3.033 -15.524 -1.480 748 HE2 TYR 97 2HE TYR 97 -1.028 -14.275 -0.819 749 HH TYR 97 HH TYR 97 1.372 -16.912 -1.010 750 H ILE 98 HN ILE 98 0.002 -10.102 -4.223 751 HA ILE 98 HA ILE 98 0.728 -7.303 -4.708 752 HB ILE 98 HB ILE 98 -1.856 -8.677 -5.462 753 HG12 ILE 98 2HG1 ILE 98 0.050 -9.978 -6.391 754 HG13 ILE 98 1HG1 ILE 98 -0.917 -9.209 -7.640 755 HG21 ILE 98 1HG2 ILE 98 -1.765 -6.930 -7.298 756 HG22 ILE 98 2HG2 ILE 98 -0.404 -6.215 -6.437 757 HG23 ILE 98 3HG2 ILE 98 -1.986 -6.304 -5.663 758 HD11 ILE 98 1HD1 ILE 98 1.110 -7.338 -6.951 759 HD12 ILE 98 2HD1 ILE 98 0.958 -8.264 -8.439 760 HD13 ILE 98 3HD1 ILE 98 1.892 -8.910 -7.096 761 H PHE 99 HN PHE 99 -0.023 -5.727 -3.405 762 HA PHE 99 HA PHE 99 -2.124 -6.477 -1.472 763 HB2 PHE 99 2HB PHE 99 0.128 -6.144 -0.456 764 HB3 PHE 99 1HB PHE 99 0.140 -4.510 -1.110 765 HD1 PHE 99 1HD PHE 99 -1.003 -6.644 1.547 766 HD2 PHE 99 2HD PHE 99 -1.694 -2.898 -0.432 767 HE1 PHE 99 1HE PHE 99 -2.308 -5.858 3.506 768 HE2 PHE 99 2HE PHE 99 -3.000 -2.102 1.525 769 HZ PHE 99 HZ PHE 99 -3.302 -3.582 3.497 770 H TYR 100 HN TYR 100 -3.920 -5.260 -1.549 771 HA TYR 100 HA TYR 100 -3.770 -2.644 -2.944 772 HB2 TYR 100 2HB TYR 100 -4.699 -4.088 -4.568 773 HB3 TYR 100 1HB TYR 100 -5.666 -4.947 -3.376 774 HD1 TYR 100 1HD TYR 100 -5.139 -1.467 -4.642 775 HD2 TYR 100 2HD TYR 100 -7.934 -4.404 -3.225 776 HE1 TYR 100 1HE TYR 100 -7.004 0.091 -5.057 777 HE2 TYR 100 2HE TYR 100 -9.803 -2.832 -3.647 778 HH TYR 100 HH TYR 100 -9.187 0.486 -4.762 779 H SER 101 HN SER 101 -5.327 -1.115 -2.288 780 HA SER 101 HA SER 101 -7.110 -1.735 -0.127 781 HB2 SER 101 2HB SER 101 -5.984 0.058 1.355 782 HB3 SER 101 1HB SER 101 -5.272 -1.552 1.315 783 HG SER 101 HG SER 101 -4.488 0.625 -0.335 784 H GLU 102 HN GLU 102 -8.572 -0.118 0.316 785 HA GLU 102 HA GLU 102 -8.327 2.363 -1.200 786 HB2 GLU 102 2HB GLU 102 -10.923 1.826 -1.733 787 HB3 GLU 102 1HB GLU 102 -9.608 1.455 -2.849 788 HG2 GLU 102 2HG GLU 102 -9.465 -0.819 -2.002 789 HG3 GLU 102 1HG GLU 102 -10.661 -0.464 -0.757 790 H GLY 103 HN GLY 103 -10.096 3.866 -0.645 791 HA2 GLY 103 2HA GLY 103 -11.816 3.578 1.536 792 HA3 GLY 103 1HA GLY 103 -10.286 4.181 2.164 793 H GLU 104 HN GLU 104 -10.722 6.259 2.648 794 HA GLU 104 HA GLU 104 -11.551 8.009 0.423 795 HB2 GLU 104 2HB GLU 104 -12.822 7.704 3.104 796 HB3 GLU 104 1HB GLU 104 -12.699 9.331 2.437 797 HG2 GLU 104 2HG GLU 104 -14.827 8.311 1.779 798 HG3 GLU 104 1HG GLU 104 -13.810 8.549 0.361 799 H LEU 105 HN LEU 105 -10.379 9.824 0.232 800 HA LEU 105 HA LEU 105 -8.604 10.593 2.469 801 HB2 LEU 105 2HB LEU 105 -7.625 9.420 0.259 802 HB3 LEU 105 1HB LEU 105 -7.678 11.087 -0.314 803 HG LEU 105 HG LEU 105 -6.553 11.636 1.989 804 HD11 LEU 105 1HD1 LEU 105 -6.893 8.990 2.443 805 HD12 LEU 105 2HD1 LEU 105 -5.586 9.925 3.169 806 HD13 LEU 105 3HD1 LEU 105 -5.283 8.962 1.723 807 HD21 LEU 105 1HD2 LEU 105 -4.287 10.809 0.865 808 HD22 LEU 105 2HD2 LEU 105 -5.224 12.120 0.148 809 HD23 LEU 105 3HD2 LEU 105 -5.352 10.486 -0.503 810 H HIS 106 HN HIS 106 -9.734 12.331 3.173 811 HA HIS 106 HA HIS 106 -10.399 14.527 3.230 812 HB2 HIS 106 2HB HIS 106 -9.488 14.960 0.409 813 HB3 HIS 106 1HB HIS 106 -9.436 16.066 1.781 814 HD1 HIS 106 1HD HIS 106 -7.972 14.491 3.881 815 HD2 HIS 106 2HD HIS 106 -6.828 14.421 -0.126 816 HE1 HIS 106 1HE HIS 106 -5.541 13.781 3.843 817 H GLY 107 HN GLY 107 -12.114 12.409 2.373 818 HA2 GLY 107 2HA GLY 107 -14.320 12.268 1.690 819 HA3 GLY 107 1HA GLY 107 -14.255 13.978 1.269 820 H LYS 108 HN LYS 108 -11.787 11.947 -0.015 821 HA LYS 108 HA LYS 108 -13.167 11.812 -2.607 822 HB2 LYS 108 2HB LYS 108 -11.069 13.492 -2.038 823 HB3 LYS 108 1HB LYS 108 -10.260 12.087 -2.733 824 HG2 LYS 108 2HG LYS 108 -10.825 13.503 -4.571 825 HG3 LYS 108 1HG LYS 108 -11.969 12.164 -4.597 826 HD2 LYS 108 2HD LYS 108 -13.647 13.662 -4.539 827 HD3 LYS 108 1HD LYS 108 -13.120 14.130 -2.923 828 HE2 LYS 108 2HE LYS 108 -12.236 15.330 -5.558 829 HE3 LYS 108 1HE LYS 108 -13.135 16.125 -4.267 830 HZ1 LYS 108 1HZ LYS 108 -10.826 15.076 -3.136 831 HZ2 LYS 108 2HZ LYS 108 -11.214 16.712 -3.378 832 HZ3 LYS 108 3HZ LYS 108 -10.349 15.858 -4.565 833 HA PRO 109 HA PRO 109 -12.282 7.406 -1.848 834 HB2 PRO 109 2HB PRO 109 -12.475 7.399 -4.835 835 HB3 PRO 109 1HB PRO 109 -13.200 6.290 -3.656 836 HG2 PRO 109 2HG PRO 109 -14.630 8.199 -4.844 837 HG3 PRO 109 1HG PRO 109 -14.921 7.718 -3.165 838 HD2 PRO 109 2HD PRO 109 -13.699 10.209 -4.211 839 HD3 PRO 109 1HD PRO 109 -14.524 9.919 -2.664 840 H VAL 110 HN VAL 110 -10.387 6.314 -1.756 841 HA VAL 110 HA VAL 110 -8.203 7.100 -3.575 842 HB VAL 110 HB VAL 110 -7.415 8.081 -1.642 843 HG11 VAL 110 1HG1 VAL 110 -8.937 5.916 -0.179 844 HG12 VAL 110 2HG1 VAL 110 -9.257 7.651 -0.186 845 HG13 VAL 110 3HG1 VAL 110 -7.832 7.020 0.640 846 HG21 VAL 110 1HG2 VAL 110 -5.689 6.722 -0.747 847 HG22 VAL 110 2HG2 VAL 110 -5.960 6.074 -2.363 848 HG23 VAL 110 3HG2 VAL 110 -6.626 5.244 -0.955 849 H ARG 111 HN ARG 111 -6.834 5.446 -4.206 850 HA ARG 111 HA ARG 111 -7.277 2.729 -3.233 851 HB2 ARG 111 2HB ARG 111 -7.425 2.140 -5.847 852 HB3 ARG 111 1HB ARG 111 -8.859 2.426 -4.873 853 HG2 ARG 111 2HG ARG 111 -7.692 4.881 -6.033 854 HG3 ARG 111 1HG ARG 111 -8.239 3.713 -7.225 855 HD2 ARG 111 2HD ARG 111 -10.439 3.597 -6.149 856 HD3 ARG 111 1HD ARG 111 -9.914 4.739 -4.920 857 HE ARG 111 HE ARG 111 -9.475 6.135 -7.180 858 HH11 ARG 111 1HH1 ARG 111 -11.039 7.359 -8.284 859 HH12 ARG 111 2HH1 ARG 111 -12.713 6.928 -8.161 860 HH21 ARG 111 1HH2 ARG 111 -12.139 4.225 -6.069 861 HH22 ARG 111 2HH2 ARG 111 -13.335 5.154 -6.907 862 H GLY 112 HN GLY 112 -5.316 1.650 -3.194 863 HA2 GLY 112 2HA GLY 112 -3.293 2.402 -5.189 864 HA3 GLY 112 1HA GLY 112 -2.885 2.597 -3.494 865 H VAL 113 HN VAL 113 -1.667 0.912 -5.504 866 HA VAL 113 HA VAL 113 -2.114 -1.753 -4.321 867 HB VAL 113 HB VAL 113 -0.719 -1.416 -6.934 868 HG11 VAL 113 1HG1 VAL 113 -1.744 -3.556 -7.410 869 HG12 VAL 113 2HG1 VAL 113 -2.792 -3.405 -5.989 870 HG13 VAL 113 3HG1 VAL 113 -1.054 -3.621 -5.779 871 HG21 VAL 113 1HG2 VAL 113 -3.175 -1.678 -7.891 872 HG22 VAL 113 2HG2 VAL 113 -2.478 -0.086 -7.595 873 HG23 VAL 113 3HG2 VAL 113 -3.596 -0.794 -6.425 874 H LYS 114 HN LYS 114 -0.298 -2.920 -3.690 875 HA LYS 114 HA LYS 114 2.322 -1.622 -4.043 876 HB2 LYS 114 2HB LYS 114 1.718 -2.906 -1.402 877 HB3 LYS 114 1HB LYS 114 2.938 -1.718 -1.804 878 HG2 LYS 114 2HG LYS 114 0.013 -0.982 -1.959 879 HG3 LYS 114 1HG LYS 114 0.861 -0.962 -0.422 880 HD2 LYS 114 2HD LYS 114 2.566 0.552 -1.376 881 HD3 LYS 114 1HD LYS 114 1.689 0.562 -2.905 882 HE2 LYS 114 2HE LYS 114 0.762 2.445 -1.955 883 HE3 LYS 114 1HE LYS 114 -0.338 1.238 -1.291 884 HZ1 LYS 114 1HZ LYS 114 1.585 1.148 0.517 885 HZ2 LYS 114 2HZ LYS 114 0.271 2.219 0.629 886 HZ3 LYS 114 3HZ LYS 114 1.763 2.762 0.024 887 H LEU 115 HN LEU 115 3.888 -3.042 -4.644 888 HA LEU 115 HA LEU 115 3.183 -5.889 -4.736 889 HB2 LEU 115 2HB LEU 115 3.907 -4.918 -6.863 890 HB3 LEU 115 1HB LEU 115 5.351 -4.268 -6.107 891 HG LEU 115 HG LEU 115 6.216 -6.503 -5.710 892 HD11 LEU 115 1HD1 LEU 115 4.391 -7.878 -5.218 893 HD12 LEU 115 2HD1 LEU 115 4.798 -8.401 -6.853 894 HD13 LEU 115 3HD1 LEU 115 3.458 -7.286 -6.593 895 HD21 LEU 115 1HD2 LEU 115 6.287 -7.331 -8.111 896 HD22 LEU 115 2HD2 LEU 115 6.740 -5.641 -7.891 897 HD23 LEU 115 3HD2 LEU 115 5.139 -6.051 -8.504 898 H VAL 116 HN VAL 116 4.226 -7.326 -3.487 899 HA VAL 116 HA VAL 116 6.644 -6.395 -2.123 900 HB VAL 116 HB VAL 116 5.962 -7.259 -0.050 901 HG11 VAL 116 1HG1 VAL 116 4.844 -5.119 -0.913 902 HG12 VAL 116 2HG1 VAL 116 4.034 -5.929 0.428 903 HG13 VAL 116 3HG1 VAL 116 3.417 -6.114 -1.213 904 HG21 VAL 116 1HG2 VAL 116 3.836 -8.488 0.268 905 HG22 VAL 116 2HG2 VAL 116 4.882 -9.368 -0.842 906 HG23 VAL 116 3HG2 VAL 116 3.538 -8.423 -1.464 907 H GLY 117 HN GLY 117 8.350 -7.697 -2.216 908 HA2 GLY 117 2HA GLY 117 7.947 -10.299 -3.515 909 HA3 GLY 117 1HA GLY 117 9.438 -9.385 -3.492 910 H ARG 118 HN ARG 118 10.893 -10.539 -2.482 911 HA ARG 118 HA ARG 118 10.532 -11.253 0.290 912 HB2 ARG 118 2HB ARG 118 9.649 -13.195 -1.162 913 HB3 ARG 118 1HB ARG 118 11.346 -13.473 -1.563 914 HG2 ARG 118 2HG ARG 118 11.733 -13.390 1.008 915 HG3 ARG 118 1HG ARG 118 9.992 -13.646 1.124 916 HD2 ARG 118 2HD ARG 118 10.539 -15.847 1.002 917 HD3 ARG 118 1HD ARG 118 10.668 -15.530 -0.726 918 HE ARG 118 HE ARG 118 12.952 -15.849 -0.532 919 HH11 ARG 118 1HH1 ARG 118 14.890 -16.149 0.612 920 HH12 ARG 118 2HH1 ARG 118 14.923 -15.911 2.327 921 HH21 ARG 118 1HH2 ARG 118 11.564 -15.076 2.543 922 HH22 ARG 118 2HH2 ARG 118 13.041 -15.303 3.421 923 H ASP 119 HN ASP 119 12.422 -10.661 -2.513 924 HA ASP 119 HA ASP 119 14.822 -10.518 -0.822 925 HB2 ASP 119 2HB ASP 119 15.835 -11.348 -3.255 926 HB3 ASP 119 1HB ASP 119 15.652 -12.353 -1.818 927 HA PRO 120 HA PRO 120 15.582 -6.505 -2.531 928 HB2 PRO 120 2HB PRO 120 18.232 -7.525 -3.443 929 HB3 PRO 120 1HB PRO 120 17.848 -6.094 -2.472 930 HG2 PRO 120 2HG PRO 120 18.857 -8.397 -1.448 931 HG3 PRO 120 1HG PRO 120 17.874 -7.247 -0.529 932 HD2 PRO 120 2HD PRO 120 17.178 -9.948 -1.417 933 HD3 PRO 120 1HD PRO 120 16.345 -8.896 -0.253 934 H LYS 121 HN LYS 121 16.231 -9.389 -4.411 935 HA LYS 121 HA LYS 121 16.587 -8.246 -6.953 936 HB2 LYS 121 2HB LYS 121 16.493 -10.817 -5.926 937 HB3 LYS 121 1HB LYS 121 15.093 -10.754 -6.997 938 HG2 LYS 121 2HG LYS 121 16.639 -9.746 -8.754 939 HG3 LYS 121 1HG LYS 121 17.981 -10.180 -7.695 940 HD2 LYS 121 2HD LYS 121 15.919 -12.106 -8.812 941 HD3 LYS 121 1HD LYS 121 17.585 -11.946 -9.371 942 HE2 LYS 121 2HE LYS 121 18.166 -12.358 -6.834 943 HE3 LYS 121 1HE LYS 121 16.557 -13.077 -6.788 944 HZ1 LYS 121 1HZ LYS 121 18.558 -13.813 -8.840 945 HZ2 LYS 121 2HZ LYS 121 17.137 -14.642 -8.411 946 HZ3 LYS 121 3HZ LYS 121 18.462 -14.611 -7.346 947 H ASN 122 HN ASN 122 14.987 -8.525 -8.785 948 HA ASN 122 HA ASN 122 12.237 -7.882 -7.924 949 HB2 ASN 122 2HB ASN 122 13.446 -6.518 -10.300 950 HB3 ASN 122 1HB ASN 122 12.105 -6.002 -9.278 951 HD21 ASN 122 1HD2 ASN 122 15.581 -6.856 -8.733 952 HD22 ASN 122 2HD2 ASN 122 15.900 -5.503 -7.757 953 H ASN 123 HN ASN 123 10.633 -8.776 -9.124 954 HA ASN 123 HA ASN 123 11.467 -10.543 -11.338 955 HB2 ASN 123 2HB ASN 123 9.605 -10.834 -9.112 956 HB3 ASN 123 1HB ASN 123 8.860 -11.214 -10.665 957 HD21 ASN 123 1HD2 ASN 123 10.404 -12.723 -8.190 958 HD22 ASN 123 2HD2 ASN 123 11.182 -13.970 -9.042 959 H LEU 124 HN LEU 124 11.324 -9.275 -13.118 960 HA LEU 124 HA LEU 124 9.558 -7.219 -13.650 961 HB2 LEU 124 2HB LEU 124 9.958 -7.755 -16.075 962 HB3 LEU 124 1HB LEU 124 11.432 -7.609 -15.114 963 HG LEU 124 HG LEU 124 10.493 -10.320 -14.968 964 HD11 LEU 124 1HD1 LEU 124 10.678 -10.949 -17.332 965 HD12 LEU 124 2HD1 LEU 124 10.916 -9.260 -17.781 966 HD13 LEU 124 3HD1 LEU 124 9.368 -9.788 -17.120 967 HD21 LEU 124 1HD2 LEU 124 12.903 -9.062 -16.321 968 HD22 LEU 124 2HD2 LEU 124 12.741 -10.764 -15.891 969 HD23 LEU 124 3HD2 LEU 124 12.814 -9.538 -14.626 970 H GLU 125 HN GLU 125 9.025 -10.652 -13.737 971 HA GLU 125 HA GLU 125 6.597 -10.558 -15.251 972 HB2 GLU 125 2HB GLU 125 7.949 -12.597 -13.505 973 HB3 GLU 125 1HB GLU 125 6.285 -12.857 -14.034 974 HG2 GLU 125 2HG GLU 125 8.198 -12.008 -16.139 975 HG3 GLU 125 1HG GLU 125 8.439 -13.627 -15.486 976 H ALA 126 HN ALA 126 7.472 -10.398 -11.863 977 HA ALA 126 HA ALA 126 4.796 -10.503 -10.869 978 HB1 ALA 126 1HB ALA 126 6.838 -11.020 -9.501 979 HB2 ALA 126 2HB ALA 126 5.746 -9.859 -8.745 980 HB3 ALA 126 3HB ALA 126 7.226 -9.299 -9.525 981 H LEU 127 HN LEU 127 7.052 -7.918 -11.788 982 HA LEU 127 HA LEU 127 5.479 -5.771 -10.858 983 HB2 LEU 127 2HB LEU 127 7.866 -6.145 -12.459 984 HB3 LEU 127 1HB LEU 127 6.853 -4.864 -13.123 985 HG LEU 127 HG LEU 127 7.589 -5.033 -10.191 986 HD11 LEU 127 1HD1 LEU 127 9.220 -3.209 -10.737 987 HD12 LEU 127 2HD1 LEU 127 8.918 -3.506 -12.448 988 HD13 LEU 127 3HD1 LEU 127 9.651 -4.762 -11.452 989 HD21 LEU 127 1HD2 LEU 127 5.676 -3.544 -11.585 990 HD22 LEU 127 2HD2 LEU 127 7.024 -2.427 -11.376 991 HD23 LEU 127 3HD2 LEU 127 6.289 -3.195 -9.969 992 H GLU 128 HN GLU 128 5.499 -7.604 -13.869 993 HA GLU 128 HA GLU 128 3.687 -5.884 -15.260 994 HB2 GLU 128 2HB GLU 128 5.109 -7.519 -16.441 995 HB3 GLU 128 1HB GLU 128 4.245 -8.838 -15.653 996 HG2 GLU 128 2HG GLU 128 2.532 -8.707 -17.112 997 HG3 GLU 128 1HG GLU 128 2.412 -6.959 -16.913 998 H ASP 129 HN ASP 129 3.341 -8.795 -13.290 999 HA ASP 129 HA ASP 129 0.551 -9.094 -13.601 1000 HB2 ASP 129 2HB ASP 129 1.833 -10.921 -12.685 1001 HB3 ASP 129 1HB ASP 129 2.406 -9.911 -11.357 1002 H PHE 130 HN PHE 130 2.543 -7.287 -11.325 1003 HA PHE 130 HA PHE 130 0.417 -6.358 -9.697 1004 HB2 PHE 130 2HB PHE 130 2.611 -6.230 -8.816 1005 HB3 PHE 130 1HB PHE 130 3.238 -5.467 -10.275 1006 HD1 PHE 130 1HD PHE 130 1.447 -4.983 -7.144 1007 HD2 PHE 130 2HD PHE 130 2.782 -3.084 -10.748 1008 HE1 PHE 130 1HE PHE 130 1.081 -2.781 -6.115 1009 HE2 PHE 130 2HE PHE 130 2.404 -0.857 -9.715 1010 HZ PHE 130 HZ PHE 130 1.549 -0.704 -7.392 1011 H GLU 131 HN GLU 131 2.232 -4.996 -12.405 1012 HA GLU 131 HA GLU 131 0.816 -2.576 -12.634 1013 HB2 GLU 131 2HB GLU 131 3.042 -3.270 -13.747 1014 HB3 GLU 131 1HB GLU 131 2.032 -4.010 -14.989 1015 HG2 GLU 131 2HG GLU 131 0.828 -1.736 -15.111 1016 HG3 GLU 131 1HG GLU 131 2.194 -1.101 -14.195 1017 H LYS 132 HN LYS 132 -0.145 -5.786 -13.246 1018 HA LYS 132 HA LYS 132 -2.128 -5.016 -15.250 1019 HB2 LYS 132 2HB LYS 132 -1.040 -7.513 -14.178 1020 HB3 LYS 132 1HB LYS 132 -2.793 -7.543 -14.341 1021 HG2 LYS 132 2HG LYS 132 -2.688 -7.070 -16.664 1022 HG3 LYS 132 1HG LYS 132 -0.999 -6.571 -16.570 1023 HD2 LYS 132 2HD LYS 132 -0.267 -8.689 -16.821 1024 HD3 LYS 132 1HD LYS 132 -1.378 -9.291 -15.593 1025 HE2 LYS 132 2HE LYS 132 -2.101 -8.690 -18.475 1026 HE3 LYS 132 1HE LYS 132 -1.868 -10.299 -17.792 1027 HZ1 LYS 132 1HZ LYS 132 -3.743 -8.533 -16.426 1028 HZ2 LYS 132 2HZ LYS 132 -3.813 -10.214 -16.672 1029 HZ3 LYS 132 3HZ LYS 132 -4.231 -9.147 -17.928 1030 H ALA 133 HN ALA 133 -1.788 -5.904 -11.867 1031 HA ALA 133 HA ALA 133 -4.526 -5.845 -11.194 1032 HB1 ALA 133 1HB ALA 133 -2.482 -6.639 -9.782 1033 HB2 ALA 133 2HB ALA 133 -3.845 -5.892 -8.948 1034 HB3 ALA 133 3HB ALA 133 -2.390 -4.951 -9.275 1035 H ALA 134 HN ALA 134 -2.032 -3.306 -11.053 1036 HA ALA 134 HA ALA 134 -3.732 -1.277 -10.115 1037 HB1 ALA 134 1HB ALA 134 -1.496 -0.641 -10.041 1038 HB2 ALA 134 2HB ALA 134 -2.019 0.185 -11.510 1039 HB3 ALA 134 3HB ALA 134 -1.141 -1.341 -11.621 1040 H GLY 135 HN GLY 135 -2.830 -2.350 -13.370 1041 HA2 GLY 135 2HA GLY 135 -4.327 -0.497 -14.802 1042 HA3 GLY 135 1HA GLY 135 -3.973 -2.129 -15.367 1043 H ALA 136 HN ALA 136 -5.258 -3.737 -13.685 1044 HA ALA 136 HA ALA 136 -7.945 -3.636 -14.502 1045 HB1 ALA 136 1HB ALA 136 -6.891 -5.736 -13.905 1046 HB2 ALA 136 2HB ALA 136 -8.271 -5.465 -12.839 1047 HB3 ALA 136 3HB ALA 136 -6.632 -5.170 -12.254 1048 H ARG 137 HN ARG 137 -6.318 -2.027 -11.953 1049 HA ARG 137 HA ARG 137 -8.867 -1.460 -10.584 1050 HB2 ARG 137 2HB ARG 137 -6.012 -1.193 -9.645 1051 HB3 ARG 137 1HB ARG 137 -7.421 -0.713 -8.701 1052 HG2 ARG 137 2HG ARG 137 -7.359 -3.480 -9.833 1053 HG3 ARG 137 1HG ARG 137 -6.337 -3.135 -8.438 1054 HD2 ARG 137 2HD ARG 137 -8.186 -2.531 -7.092 1055 HD3 ARG 137 1HD ARG 137 -9.251 -2.363 -8.482 1056 HE ARG 137 HE ARG 137 -8.205 -5.039 -8.127 1057 HH11 ARG 137 1HH1 ARG 137 -9.745 -6.620 -7.594 1058 HH12 ARG 137 2HH1 ARG 137 -11.321 -6.142 -7.060 1059 HH21 ARG 137 1HH2 ARG 137 -10.663 -2.746 -7.300 1060 HH22 ARG 137 2HH2 ARG 137 -11.841 -3.948 -6.893 1061 H GLY 138 HN GLY 138 -7.116 -0.261 -12.987 1062 HA2 GLY 138 2HA GLY 138 -7.091 1.793 -14.032 1063 HA3 GLY 138 1HA GLY 138 -8.250 2.337 -12.826 1064 H LEU 139 HN LEU 139 -5.155 1.052 -11.896 1065 HA LEU 139 HA LEU 139 -4.340 3.747 -11.026 1066 HB2 LEU 139 2HB LEU 139 -3.539 1.037 -9.958 1067 HB3 LEU 139 1HB LEU 139 -2.945 2.577 -9.353 1068 HG LEU 139 HG LEU 139 -5.911 2.092 -9.516 1069 HD11 LEU 139 1HD1 LEU 139 -4.233 1.367 -7.105 1070 HD12 LEU 139 2HD1 LEU 139 -4.800 0.174 -8.269 1071 HD13 LEU 139 3HD1 LEU 139 -5.959 1.106 -7.334 1072 HD21 LEU 139 1HD2 LEU 139 -4.099 3.752 -7.732 1073 HD22 LEU 139 2HD2 LEU 139 -5.845 3.627 -7.531 1074 HD23 LEU 139 3HD2 LEU 139 -5.181 4.355 -8.988 1075 H SER 140 HN SER 140 -4.013 2.386 -13.665 1076 HA SER 140 HA SER 140 -1.157 1.905 -13.865 1077 HB2 SER 140 2HB SER 140 -2.006 0.652 -15.549 1078 HB3 SER 140 1HB SER 140 -3.521 1.547 -15.552 1079 HG SER 140 HG SER 140 -2.456 3.185 -16.726 1080 H THR 141 HN THR 141 -2.816 4.601 -13.341 1081 HA THR 141 HA THR 141 -1.098 6.257 -15.092 1082 HB THR 141 HB THR 141 -2.902 7.929 -15.119 1083 HG1 THR 141 1HG THR 141 -4.948 6.487 -14.355 1084 HG21 THR 141 1HG2 THR 141 -4.442 6.690 -16.577 1085 HG22 THR 141 2HG2 THR 141 -3.825 5.163 -15.949 1086 HG23 THR 141 3HG2 THR 141 -2.775 6.213 -16.901 1087 H GLU 142 HN GLU 142 -1.471 5.301 -11.975 1088 HA GLU 142 HA GLU 142 -1.496 7.707 -10.498 1089 HB2 GLU 142 2HB GLU 142 0.025 5.186 -9.784 1090 HB3 GLU 142 1HB GLU 142 -0.512 6.446 -8.675 1091 HG2 GLU 142 2HG GLU 142 -2.282 4.611 -10.299 1092 HG3 GLU 142 1HG GLU 142 -2.049 4.567 -8.557 1093 H SER 143 HN SER 143 1.001 7.351 -9.020 1094 HA SER 143 HA SER 143 2.792 8.649 -10.961 1095 HB2 SER 143 2HB SER 143 3.449 8.873 -8.106 1096 HB3 SER 143 1HB SER 143 3.443 10.103 -9.365 1097 HG SER 143 HG SER 143 0.983 9.039 -8.624 1098 H ILE 144 HN ILE 144 2.406 5.831 -9.059 1099 HA ILE 144 HA ILE 144 3.737 4.064 -8.601 1100 HB ILE 144 HB ILE 144 4.137 4.752 -11.280 1101 HG12 ILE 144 2HG1 ILE 144 4.881 2.375 -11.457 1102 HG13 ILE 144 1HG1 ILE 144 5.012 2.317 -9.701 1103 HG21 ILE 144 1HG2 ILE 144 6.461 4.266 -11.747 1104 HG22 ILE 144 2HG2 ILE 144 6.806 4.000 -10.042 1105 HG23 ILE 144 3HG2 ILE 144 6.412 5.619 -10.624 1106 HD11 ILE 144 1HD1 ILE 144 2.735 1.713 -11.172 1107 HD12 ILE 144 2HD1 ILE 144 2.423 3.349 -10.589 1108 HD13 ILE 144 3HD1 ILE 144 2.786 2.061 -9.443 1109 H LEU 145 HN LEU 145 5.700 3.377 -7.662 1110 HA LEU 145 HA LEU 145 7.908 5.074 -7.433 1111 HB2 LEU 145 2HB LEU 145 6.383 6.438 -6.048 1112 HB3 LEU 145 1HB LEU 145 6.127 5.049 -4.994 1113 HG LEU 145 HG LEU 145 8.552 5.011 -4.482 1114 HD11 LEU 145 1HD1 LEU 145 9.819 5.951 -6.135 1115 HD12 LEU 145 2HD1 LEU 145 9.594 7.409 -5.167 1116 HD13 LEU 145 3HD1 LEU 145 8.568 7.120 -6.571 1117 HD21 LEU 145 1HD2 LEU 145 8.130 6.407 -2.783 1118 HD22 LEU 145 2HD2 LEU 145 6.629 6.841 -3.603 1119 HD23 LEU 145 3HD2 LEU 145 8.084 7.800 -3.861 1120 H ILE 146 HN ILE 146 9.578 3.786 -7.018 1121 HA ILE 146 HA ILE 146 9.079 1.246 -5.605 1122 HB ILE 146 HB ILE 146 11.400 1.936 -7.416 1123 HG12 ILE 146 2HG1 ILE 146 9.006 0.181 -8.034 1124 HG13 ILE 146 1HG1 ILE 146 9.113 1.868 -8.537 1125 HG21 ILE 146 1HG2 ILE 146 12.275 0.011 -6.634 1126 HG22 ILE 146 2HG2 ILE 146 10.849 -0.858 -7.196 1127 HG23 ILE 146 3HG2 ILE 146 10.893 -0.202 -5.560 1128 HD11 ILE 146 1HD1 ILE 146 9.934 -0.062 -10.152 1129 HD12 ILE 146 2HD1 ILE 146 11.398 0.036 -9.175 1130 HD13 ILE 146 3HD1 ILE 146 10.826 1.455 -10.048 1131 HA PRO 147 HA PRO 147 11.563 3.934 -2.758 1132 HB2 PRO 147 2HB PRO 147 10.668 2.800 -0.427 1133 HB3 PRO 147 1HB PRO 147 9.852 4.139 -1.255 1134 HG2 PRO 147 2HG PRO 147 9.234 1.238 -1.284 1135 HG3 PRO 147 1HG PRO 147 8.130 2.622 -1.228 1136 HD2 PRO 147 2HD PRO 147 8.609 1.212 -3.490 1137 HD3 PRO 147 1HD PRO 147 8.220 2.940 -3.523 1138 H ARG 148 HN ARG 148 13.581 3.298 -2.916 1139 HA ARG 148 HA ARG 148 14.688 0.793 -3.007 1140 HB2 ARG 148 2HB ARG 148 15.970 2.826 -3.452 1141 HB3 ARG 148 1HB ARG 148 15.896 3.266 -1.745 1142 HG2 ARG 148 2HG ARG 148 17.311 1.502 -1.099 1143 HG3 ARG 148 1HG ARG 148 17.022 0.603 -2.588 1144 HD2 ARG 148 2HD ARG 148 18.391 2.042 -3.863 1145 HD3 ARG 148 1HD ARG 148 18.347 3.310 -2.642 1146 HE ARG 148 HE ARG 148 19.582 0.855 -1.732 1147 HH11 ARG 148 1HH1 ARG 148 21.806 0.993 -1.290 1148 HH12 ARG 148 2HH1 ARG 148 22.713 2.356 -1.854 1149 HH21 ARG 148 1HH2 ARG 148 19.987 3.884 -3.359 1150 HH22 ARG 148 2HH2 ARG 148 21.682 3.994 -3.024 1151 H GLN 149 HN GLN 149 14.621 -0.861 -1.655 1152 HA GLN 149 HA GLN 149 13.602 -0.972 0.876 1153 HB2 GLN 149 2HB GLN 149 15.952 -2.707 0.569 1154 HB3 GLN 149 1HB GLN 149 14.266 -3.133 0.848 1155 HG2 GLN 149 2HG GLN 149 15.527 -2.382 -1.805 1156 HG3 GLN 149 1HG GLN 149 14.934 -3.972 -1.332 1157 HE21 GLN 149 1HE2 GLN 149 13.723 -3.186 -3.569 1158 HE22 GLN 149 2HE2 GLN 149 12.176 -2.546 -3.291 1159 H SER 150 HN SER 150 14.104 0.184 2.618 1160 HA SER 150 HA SER 150 16.962 0.666 3.227 1161 HB2 SER 150 2HB SER 150 15.523 2.694 2.597 1162 HB3 SER 150 1HB SER 150 14.695 2.436 4.129 1163 HG SER 150 HG SER 150 16.607 2.762 5.199 1164 H GLU 151 HN GLU 151 17.175 -1.168 4.534 1165 HA GLU 151 HA GLU 151 15.589 -2.305 6.372 1166 HB2 GLU 151 2HB GLU 151 18.526 -1.670 6.555 1167 HB3 GLU 151 1HB GLU 151 17.699 -2.630 7.784 1168 HG2 GLU 151 2HG GLU 151 17.309 -3.355 4.905 1169 HG3 GLU 151 1HG GLU 151 18.825 -3.800 5.686 1170 H THR 152 HN THR 152 16.824 0.933 6.597 1171 HA THR 152 HA THR 152 15.397 1.244 9.150 1172 HB THR 152 HB THR 152 17.653 1.060 9.890 1173 HG1 THR 152 1HG THR 152 17.155 2.777 10.979 1174 HG21 THR 152 1HG2 THR 152 18.762 1.233 7.723 1175 HG22 THR 152 2HG2 THR 152 19.474 2.394 8.843 1176 HG23 THR 152 3HG2 THR 152 18.335 2.941 7.613 1177 H CYS 153 HN CYS 153 14.339 3.170 9.373 1178 HA CYS 153 HA CYS 153 13.922 4.716 6.991 1179 HB2 CYS 153 2HB CYS 153 12.107 4.250 8.617 1180 HB3 CYS 153 1HB CYS 153 12.952 5.236 9.811 1181 H SER 154 HN SER 154 15.216 6.286 6.332 1182 HA SER 154 HA SER 154 15.890 8.560 7.669 1183 HB2 SER 154 2HB SER 154 18.483 7.793 7.935 1184 HB3 SER 154 1HB SER 154 17.324 7.799 9.259 1185 HG SER 154 HG SER 154 17.507 5.715 9.307 1186 HA PRO 155 HA PRO 155 17.321 9.332 3.569 1187 HB2 PRO 155 2HB PRO 155 18.998 11.475 3.955 1188 HB3 PRO 155 1HB PRO 155 17.228 11.591 3.990 1189 HG2 PRO 155 2HG PRO 155 19.161 11.466 6.246 1190 HG3 PRO 155 1HG PRO 155 17.672 12.410 6.084 1191 HD2 PRO 155 2HD PRO 155 17.813 10.102 7.552 1192 HD3 PRO 155 1HD PRO 155 16.324 10.655 6.756 1193 H GLY 156 HN GLY 156 19.541 8.552 6.079 1194 HA2 GLY 156 2HA GLY 156 21.240 7.037 4.422 1195 HA3 GLY 156 1HA GLY 156 22.002 8.596 4.725 1196 H SER 157 HN SER 157 21.327 5.490 5.973 1197 HA SER 157 HA SER 157 21.498 5.878 8.738 1198 HB2 SER 157 2HB SER 157 21.181 3.707 7.172 1199 HB3 SER 157 1HB SER 157 22.875 3.504 7.612 1200 HG SER 157 HG SER 157 20.661 3.852 9.360 1201 H ASP 158 HN ASP 158 23.292 5.535 10.187 1202 HA ASP 158 HA ASP 158 25.385 6.075 10.969 1203 HB2 ASP 158 2HB ASP 158 26.385 5.165 8.268 1204 HB3 ASP 158 1HB ASP 158 27.231 5.110 9.814 Start of MODEL 10 1 H1 HIS 1 1HT HIS 1 -5.965 -22.692 -9.314 2 H2 HIS 1 2HT HIS 1 -4.582 -22.174 -10.155 3 H3 HIS 1 3HT HIS 1 -5.774 -21.051 -9.701 4 HA HIS 1 HA HIS 1 -5.128 -22.168 -7.331 5 HB2 HIS 1 2HB HIS 1 -2.585 -21.965 -7.360 6 HB3 HIS 1 1HB HIS 1 -3.245 -23.383 -8.175 7 HD1 HIS 1 1HD HIS 1 -3.301 -23.319 -10.819 8 HD2 HIS 1 2HD HIS 1 -1.246 -20.154 -9.047 9 HE1 HIS 1 1HE HIS 1 -1.955 -22.217 -12.661 10 H HIS 2 HN HIS 2 -6.416 -19.961 -8.281 11 HA HIS 2 HA HIS 2 -5.025 -17.833 -6.909 12 HB2 HIS 2 2HB HIS 2 -4.084 -17.764 -9.246 13 HB3 HIS 2 1HB HIS 2 -5.714 -17.414 -9.824 14 HD1 HIS 2 1HD HIS 2 -2.732 -15.770 -8.596 15 HD2 HIS 2 2HD HIS 2 -6.819 -14.960 -8.458 16 HE1 HIS 2 1HE HIS 2 -2.956 -13.313 -8.025 17 H LEU 3 HN LEU 3 -6.869 -17.931 -5.573 18 HA LEU 3 HA LEU 3 -9.221 -16.593 -6.731 19 HB2 LEU 3 2HB LEU 3 -9.343 -19.230 -6.315 20 HB3 LEU 3 1HB LEU 3 -9.715 -18.703 -4.679 21 HG LEU 3 HG LEU 3 -11.159 -17.818 -7.198 22 HD11 LEU 3 1HD1 LEU 3 -11.869 -20.024 -6.740 23 HD12 LEU 3 2HD1 LEU 3 -13.076 -19.017 -5.939 24 HD13 LEU 3 3HD1 LEU 3 -11.794 -19.779 -4.996 25 HD21 LEU 3 1HD2 LEU 3 -11.197 -16.011 -5.606 26 HD22 LEU 3 2HD2 LEU 3 -11.513 -17.119 -4.271 27 HD23 LEU 3 3HD2 LEU 3 -12.756 -16.827 -5.485 28 H LEU 4 HN LEU 4 -7.815 -14.872 -5.633 29 HA LEU 4 HA LEU 4 -7.498 -13.380 -3.924 30 HB2 LEU 4 2HB LEU 4 -10.245 -14.412 -3.640 31 HB3 LEU 4 1HB LEU 4 -9.587 -13.661 -2.190 32 HG LEU 4 HG LEU 4 -9.484 -12.360 -4.924 33 HD11 LEU 4 1HD1 LEU 4 -11.304 -10.963 -3.343 34 HD12 LEU 4 2HD1 LEU 4 -11.697 -12.656 -3.044 35 HD13 LEU 4 3HD1 LEU 4 -11.704 -12.026 -4.692 36 HD21 LEU 4 1HD2 LEU 4 -8.290 -10.761 -3.883 37 HD22 LEU 4 2HD2 LEU 4 -8.242 -11.767 -2.437 38 HD23 LEU 4 3HD2 LEU 4 -9.533 -10.586 -2.648 39 H ALA 5 HN ALA 5 -7.168 -13.139 -1.539 40 HA ALA 5 HA ALA 5 -5.487 -15.093 -0.513 41 HB1 ALA 5 1HB ALA 5 -5.161 -13.546 1.077 42 HB2 ALA 5 2HB ALA 5 -6.821 -13.718 1.646 43 HB3 ALA 5 3HB ALA 5 -6.449 -12.589 0.342 44 H SER 6 HN SER 6 -5.784 -17.005 0.415 45 HA SER 6 HA SER 6 -8.318 -18.239 0.577 46 HB2 SER 6 2HB SER 6 -6.010 -19.324 0.350 47 HB3 SER 6 1HB SER 6 -5.864 -19.111 2.092 48 HG SER 6 HG SER 6 -8.218 -20.234 1.095 49 H ASP 7 HN ASP 7 -9.671 -18.676 2.303 50 HA ASP 7 HA ASP 7 -9.506 -16.865 4.549 51 HB2 ASP 7 2HB ASP 7 -11.661 -17.407 3.461 52 HB3 ASP 7 1HB ASP 7 -11.484 -19.083 3.977 53 H GLU 8 HN GLU 8 -7.485 -19.034 4.190 54 HA GLU 8 HA GLU 8 -7.760 -20.233 6.876 55 HB2 GLU 8 2HB GLU 8 -6.817 -21.615 4.352 56 HB3 GLU 8 1HB GLU 8 -6.647 -22.283 5.976 57 HG2 GLU 8 2HG GLU 8 -9.301 -21.441 4.786 58 HG3 GLU 8 1HG GLU 8 -8.688 -23.092 4.726 59 H GLU 9 HN GLU 9 -5.271 -20.484 4.361 60 HA GLU 9 HA GLU 9 -3.420 -18.974 6.100 61 HB2 GLU 9 2HB GLU 9 -1.623 -20.524 5.324 62 HB3 GLU 9 1HB GLU 9 -2.855 -21.333 6.295 63 HG2 GLU 9 2HG GLU 9 -3.976 -22.104 4.240 64 HG3 GLU 9 1HG GLU 9 -2.751 -21.293 3.264 65 H ILE 10 HN ILE 10 -2.034 -17.574 5.035 66 HA ILE 10 HA ILE 10 -2.575 -17.217 2.151 67 HB ILE 10 HB ILE 10 -1.280 -15.147 3.867 68 HG12 ILE 10 2HG1 ILE 10 -4.268 -15.536 3.592 69 HG13 ILE 10 1HG1 ILE 10 -3.345 -15.816 5.070 70 HG21 ILE 10 1HG2 ILE 10 -2.196 -13.637 2.242 71 HG22 ILE 10 2HG2 ILE 10 -3.172 -14.927 1.533 72 HG23 ILE 10 3HG2 ILE 10 -1.414 -14.959 1.375 73 HD11 ILE 10 1HD1 ILE 10 -4.318 -13.585 5.179 74 HD12 ILE 10 2HD1 ILE 10 -3.637 -13.173 3.605 75 HD13 ILE 10 3HD1 ILE 10 -2.570 -13.430 4.989 76 H GLN 11 HN GLN 11 -0.810 -19.214 2.760 77 HA GLN 11 HA GLN 11 1.205 -19.917 1.849 78 HB2 GLN 11 2HB GLN 11 1.045 -17.596 0.584 79 HB3 GLN 11 1HB GLN 11 2.327 -17.151 1.706 80 HG2 GLN 11 2HG GLN 11 3.536 -18.037 -0.087 81 HG3 GLN 11 1HG GLN 11 3.402 -19.422 0.995 82 HE21 GLN 11 1HE2 GLN 11 3.522 -20.947 -0.810 83 HE22 GLN 11 2HE2 GLN 11 2.219 -21.143 -1.880 84 H ASP 12 HN ASP 12 2.281 -16.949 3.518 85 HA ASP 12 HA ASP 12 3.191 -18.550 5.795 86 HB2 ASP 12 2HB ASP 12 5.436 -17.076 5.382 87 HB3 ASP 12 1HB ASP 12 5.241 -18.746 4.849 88 H VAL 13 HN VAL 13 3.578 -15.291 4.362 89 HA VAL 13 HA VAL 13 3.315 -13.202 5.256 90 HB VAL 13 HB VAL 13 1.266 -14.696 6.911 91 HG11 VAL 13 1HG1 VAL 13 1.426 -11.727 6.352 92 HG12 VAL 13 2HG1 VAL 13 1.919 -12.449 7.886 93 HG13 VAL 13 3HG1 VAL 13 0.245 -12.560 7.356 94 HG21 VAL 13 1HG2 VAL 13 1.167 -13.127 4.331 95 HG22 VAL 13 2HG2 VAL 13 -0.258 -13.652 5.223 96 HG23 VAL 13 3HG2 VAL 13 0.854 -14.849 4.549 97 H SER 14 HN SER 14 2.504 -14.619 8.358 98 HA SER 14 HA SER 14 3.812 -13.288 10.165 99 HB2 SER 14 2HB SER 14 3.599 -16.228 9.846 100 HB3 SER 14 1HB SER 14 4.742 -15.654 11.057 101 HG SER 14 HG SER 14 2.250 -14.420 10.971 102 H GLY 15 HN GLY 15 5.481 -12.067 9.160 103 HA2 GLY 15 2HA GLY 15 8.089 -12.653 9.785 104 HA3 GLY 15 1HA GLY 15 7.861 -13.315 8.166 105 H THR 16 HN THR 16 9.676 -11.394 8.238 106 HA THR 16 HA THR 16 8.515 -8.767 7.844 107 HB THR 16 HB THR 16 11.316 -9.366 7.027 108 HG1 THR 16 1HG THR 16 10.824 -8.998 9.737 109 HG21 THR 16 1HG2 THR 16 10.114 -7.204 8.775 110 HG22 THR 16 2HG2 THR 16 10.274 -7.077 7.022 111 HG23 THR 16 3HG2 THR 16 11.713 -7.203 8.034 112 H TRP 17 HN TRP 17 8.590 -7.597 5.822 113 HA TRP 17 HA TRP 17 9.060 -9.224 3.413 114 HB2 TRP 17 2HB TRP 17 6.509 -7.747 4.077 115 HB3 TRP 17 1HB TRP 17 6.941 -8.210 2.435 116 HD1 TRP 17 1HD TRP 17 6.525 -9.894 5.881 117 HE1 TRP 17 1HE TRP 17 5.605 -12.274 5.522 118 HE3 TRP 17 3HE TRP 17 6.402 -9.985 0.821 119 HZ2 TRP 17 2HZ TRP 17 4.902 -13.991 3.336 120 HZ3 TRP 17 3HZ TRP 17 5.602 -11.990 -0.404 121 HH2 TRP 17 2HH TRP 17 4.849 -13.995 0.852 122 H TYR 18 HN TYR 18 8.796 -7.678 1.397 123 HA TYR 18 HA TYR 18 9.859 -5.012 2.086 124 HB2 TYR 18 2HB TYR 18 10.814 -6.679 -0.249 125 HB3 TYR 18 1HB TYR 18 11.490 -5.160 0.338 126 HD1 TYR 18 1HD TYR 18 10.968 -8.742 1.189 127 HD2 TYR 18 2HD TYR 18 13.042 -5.106 2.150 128 HE1 TYR 18 1HE TYR 18 12.451 -9.995 2.732 129 HE2 TYR 18 2HE TYR 18 14.524 -6.359 3.693 130 HH TYR 18 HH TYR 18 13.887 -9.221 4.933 131 H LEU 19 HN LEU 19 9.358 -3.369 0.566 132 HA LEU 19 HA LEU 19 7.023 -3.974 -1.135 133 HB2 LEU 19 2HB LEU 19 6.954 -2.206 0.770 134 HB3 LEU 19 1HB LEU 19 7.951 -1.229 -0.307 135 HG LEU 19 HG LEU 19 6.170 -1.747 -2.106 136 HD11 LEU 19 1HD1 LEU 19 5.109 -3.292 -0.018 137 HD12 LEU 19 2HD1 LEU 19 4.308 -2.872 -1.528 138 HD13 LEU 19 3HD1 LEU 19 4.070 -1.870 -0.098 139 HD21 LEU 19 1HD2 LEU 19 6.032 0.468 -1.584 140 HD22 LEU 19 2HD2 LEU 19 6.117 0.160 0.151 141 HD23 LEU 19 3HD2 LEU 19 4.584 -0.017 -0.701 142 H LYS 20 HN LYS 20 7.306 -3.899 -3.271 143 HA LYS 20 HA LYS 20 9.840 -2.725 -4.261 144 HB2 LYS 20 2HB LYS 20 8.245 -4.808 -5.712 145 HB3 LYS 20 1HB LYS 20 9.941 -4.370 -5.899 146 HG2 LYS 20 2HG LYS 20 9.861 -5.082 -3.244 147 HG3 LYS 20 1HG LYS 20 8.677 -6.188 -3.939 148 HD2 LYS 20 2HD LYS 20 11.572 -5.845 -4.760 149 HD3 LYS 20 1HD LYS 20 10.815 -7.280 -4.068 150 HE2 LYS 20 2HE LYS 20 10.622 -7.936 -6.234 151 HE3 LYS 20 1HE LYS 20 9.232 -6.865 -6.261 152 HZ1 LYS 20 1HZ LYS 20 11.245 -6.666 -7.959 153 HZ2 LYS 20 2HZ LYS 20 11.838 -5.652 -6.729 154 HZ3 LYS 20 3HZ LYS 20 10.338 -5.323 -7.458 155 H ALA 21 HN ALA 21 6.496 -2.263 -4.331 156 HA ALA 21 HA ALA 21 6.786 -0.210 -6.339 157 HB1 ALA 21 1HB ALA 21 6.236 -2.701 -7.343 158 HB2 ALA 21 2HB ALA 21 5.809 -1.181 -8.123 159 HB3 ALA 21 3HB ALA 21 4.623 -2.022 -7.134 160 H MET 22 HN MET 22 5.321 1.394 -6.003 161 HA MET 22 HA MET 22 2.812 0.776 -4.684 162 HB2 MET 22 2HB MET 22 3.931 1.046 -2.688 163 HB3 MET 22 1HB MET 22 5.097 2.177 -3.371 164 HG2 MET 22 2HG MET 22 3.574 3.970 -3.294 165 HG3 MET 22 1HG MET 22 2.180 2.906 -3.112 166 HE1 MET 22 1HE MET 22 2.550 5.406 -1.329 167 HE2 MET 22 2HE MET 22 4.298 5.330 -1.525 168 HE3 MET 22 3HE MET 22 3.597 5.270 0.090 169 H THR 23 HN THR 23 1.444 1.705 -5.992 170 HA THR 23 HA THR 23 2.001 4.025 -7.576 171 HB THR 23 HB THR 23 0.419 2.601 -8.538 172 HG1 THR 23 1HG THR 23 -1.620 4.051 -7.597 173 HG21 THR 23 1HG2 THR 23 -1.730 2.121 -7.079 174 HG22 THR 23 2HG2 THR 23 -0.624 2.435 -5.742 175 HG23 THR 23 3HG2 THR 23 -0.277 1.142 -6.888 176 H VAL 24 HN VAL 24 1.720 6.170 -7.166 177 HA VAL 24 HA VAL 24 -0.120 6.939 -5.003 178 HB VAL 24 HB VAL 24 2.115 8.581 -4.599 179 HG11 VAL 24 1HG1 VAL 24 2.140 7.466 -2.389 180 HG12 VAL 24 2HG1 VAL 24 1.104 6.190 -3.029 181 HG13 VAL 24 3HG1 VAL 24 0.496 7.840 -2.903 182 HG21 VAL 24 1HG2 VAL 24 3.480 6.890 -5.788 183 HG22 VAL 24 2HG2 VAL 24 2.894 5.656 -4.684 184 HG23 VAL 24 3HG2 VAL 24 3.898 6.967 -4.079 185 H ASP 25 HN ASP 25 -1.441 8.259 -6.088 186 HA ASP 25 HA ASP 25 -1.054 10.832 -6.761 187 HB2 ASP 25 2HB ASP 25 0.639 10.659 -8.335 188 HB3 ASP 25 1HB ASP 25 0.120 9.079 -8.883 189 H ARG 26 HN ARG 26 -2.555 11.575 -8.666 190 HA ARG 26 HA ARG 26 -4.584 11.568 -9.731 191 HB2 ARG 26 2HB ARG 26 -5.155 8.776 -8.720 192 HB3 ARG 26 1HB ARG 26 -5.884 9.613 -10.076 193 HG2 ARG 26 2HG ARG 26 -2.929 8.990 -10.081 194 HG3 ARG 26 1HG ARG 26 -4.108 7.800 -10.588 195 HD2 ARG 26 2HD ARG 26 -3.976 10.592 -11.738 196 HD3 ARG 26 1HD ARG 26 -3.132 9.212 -12.437 197 HE ARG 26 HE ARG 26 -5.988 8.835 -12.007 198 HH11 ARG 26 1HH1 ARG 26 -7.189 8.480 -13.901 199 HH12 ARG 26 2HH1 ARG 26 -6.468 8.786 -15.447 200 HH21 ARG 26 1HH2 ARG 26 -3.428 9.803 -14.125 201 HH22 ARG 26 2HH2 ARG 26 -4.340 9.534 -15.573 202 H GLU 27 HN GLU 27 -3.969 12.244 -6.893 203 HA GLU 27 HA GLU 27 -6.579 12.975 -6.121 204 HB2 GLU 27 2HB GLU 27 -6.592 10.490 -5.545 205 HB3 GLU 27 1HB GLU 27 -5.401 10.874 -4.303 206 HG2 GLU 27 2HG GLU 27 -6.936 12.434 -3.242 207 HG3 GLU 27 1HG GLU 27 -8.112 12.209 -4.537 208 H PHE 28 HN PHE 28 -3.899 11.859 -4.087 209 HA PHE 28 HA PHE 28 -3.750 14.495 -2.846 210 HB2 PHE 28 2HB PHE 28 -2.988 11.717 -2.134 211 HB3 PHE 28 1HB PHE 28 -2.001 12.991 -1.439 212 HD1 PHE 28 1HD PHE 28 -5.405 11.581 -1.665 213 HD2 PHE 28 2HD PHE 28 -2.930 14.573 0.176 214 HE1 PHE 28 1HE PHE 28 -7.198 12.056 -0.021 215 HE2 PHE 28 2HE PHE 28 -4.722 15.043 1.820 216 HZ PHE 28 HZ PHE 28 -6.856 13.788 1.722 217 HA PRO 29 HA PRO 29 0.089 15.770 -4.682 218 HB2 PRO 29 2HB PRO 29 1.528 16.009 -2.110 219 HB3 PRO 29 1HB PRO 29 1.112 17.264 -3.292 220 HG2 PRO 29 2HG PRO 29 -0.122 17.108 -0.938 221 HG3 PRO 29 1HG PRO 29 -0.985 17.587 -2.412 222 HD2 PRO 29 2HD PRO 29 -0.972 14.934 -1.014 223 HD3 PRO 29 1HD PRO 29 -2.340 15.818 -1.723 224 H GLU 30 HN GLU 30 -0.221 12.895 -4.104 225 HA GLU 30 HA GLU 30 0.978 10.935 -3.899 226 HB2 GLU 30 2HB GLU 30 2.743 10.830 -5.703 227 HB3 GLU 30 1HB GLU 30 1.137 11.311 -6.219 228 HG2 GLU 30 2HG GLU 30 1.773 13.640 -6.297 229 HG3 GLU 30 1HG GLU 30 3.336 13.279 -5.564 230 H MET 31 HN MET 31 1.659 11.910 -1.681 231 HA MET 31 HA MET 31 3.719 12.893 -0.583 232 HB2 MET 31 2HB MET 31 3.856 10.048 0.051 233 HB3 MET 31 1HB MET 31 3.440 11.415 1.083 234 HG2 MET 31 2HG MET 31 1.181 11.467 0.004 235 HG3 MET 31 1HG MET 31 1.612 9.998 -0.873 236 HE1 MET 31 1HE MET 31 0.014 11.501 2.046 237 HE2 MET 31 2HE MET 31 1.638 11.578 2.723 238 HE3 MET 31 3HE MET 31 0.429 10.537 3.470 239 H ASN 32 HN ASN 32 5.899 12.986 -0.651 240 HA ASN 32 HA ASN 32 7.172 11.630 -2.849 241 HB2 ASN 32 2HB ASN 32 7.609 14.031 -2.153 242 HB3 ASN 32 1HB ASN 32 8.516 13.370 -0.796 243 HD21 ASN 32 1HD2 ASN 32 8.561 13.874 -4.273 244 HD22 ASN 32 2HD2 ASN 32 10.140 13.299 -4.521 245 H LEU 33 HN LEU 33 6.622 9.465 -1.627 246 HA LEU 33 HA LEU 33 8.028 8.629 0.604 247 HB2 LEU 33 2HB LEU 33 6.336 7.387 -1.027 248 HB3 LEU 33 1HB LEU 33 7.826 6.813 -1.769 249 HG LEU 33 HG LEU 33 7.105 6.546 1.162 250 HD11 LEU 33 1HD1 LEU 33 7.492 4.026 0.057 251 HD12 LEU 33 2HD1 LEU 33 6.613 4.891 -1.205 252 HD13 LEU 33 3HD1 LEU 33 5.929 4.761 0.415 253 HD21 LEU 33 1HD2 LEU 33 9.444 6.655 1.119 254 HD22 LEU 33 2HD2 LEU 33 9.549 5.896 -0.470 255 HD23 LEU 33 3HD2 LEU 33 9.153 4.923 0.947 256 H GLU 34 HN GLU 34 10.143 8.884 0.961 257 HA GLU 34 HA GLU 34 11.984 8.930 -1.324 258 HB2 GLU 34 2HB GLU 34 12.104 9.908 1.498 259 HB3 GLU 34 1HB GLU 34 13.607 9.575 0.641 260 HG2 GLU 34 2HG GLU 34 12.926 11.075 -1.179 261 HG3 GLU 34 1HG GLU 34 11.393 11.384 -0.369 262 H SER 35 HN SER 35 11.162 7.025 1.493 263 HA SER 35 HA SER 35 12.725 4.815 0.502 264 HB2 SER 35 2HB SER 35 14.421 4.710 2.065 265 HB3 SER 35 1HB SER 35 14.288 6.455 1.864 266 HG SER 35 HG SER 35 14.031 6.343 3.968 267 H VAL 36 HN VAL 36 12.403 2.871 1.775 268 HA VAL 36 HA VAL 36 10.164 3.034 3.663 269 HB VAL 36 HB VAL 36 9.558 2.351 1.238 270 HG11 VAL 36 1HG1 VAL 36 11.579 0.705 1.287 271 HG12 VAL 36 2HG1 VAL 36 10.068 0.155 0.564 272 HG13 VAL 36 3HG1 VAL 36 10.497 -0.347 2.200 273 HG21 VAL 36 1HG2 VAL 36 8.795 1.115 3.841 274 HG22 VAL 36 2HG2 VAL 36 8.217 0.309 2.382 275 HG23 VAL 36 3HG2 VAL 36 7.801 1.997 2.681 276 H THR 37 HN THR 37 10.103 1.424 5.246 277 HA THR 37 HA THR 37 12.682 0.043 5.601 278 HB THR 37 HB THR 37 12.061 -0.077 7.976 279 HG1 THR 37 1HG THR 37 9.897 -0.187 7.974 280 HG21 THR 37 1HG2 THR 37 13.160 1.967 6.949 281 HG22 THR 37 2HG2 THR 37 12.309 2.249 8.468 282 HG23 THR 37 3HG2 THR 37 11.561 2.714 6.939 283 HA PRO 38 HA PRO 38 11.139 -4.067 4.885 284 HB2 PRO 38 2HB PRO 38 11.897 -4.551 7.748 285 HB3 PRO 38 1HB PRO 38 12.234 -5.542 6.315 286 HG2 PRO 38 2HG PRO 38 14.080 -3.939 7.423 287 HG3 PRO 38 1HG PRO 38 14.014 -4.262 5.683 288 HD2 PRO 38 2HD PRO 38 13.407 -1.768 7.125 289 HD3 PRO 38 1HD PRO 38 13.735 -2.017 5.396 290 H MET 39 HN MET 39 9.033 -4.732 4.939 291 HA MET 39 HA MET 39 7.253 -3.582 6.896 292 HB2 MET 39 2HB MET 39 6.666 -3.734 4.471 293 HB3 MET 39 1HB MET 39 6.636 -5.489 4.632 294 HG2 MET 39 2HG MET 39 5.064 -4.555 6.751 295 HG3 MET 39 1HG MET 39 4.610 -3.551 5.376 296 HE1 MET 39 1HE MET 39 3.315 -4.202 3.435 297 HE2 MET 39 2HE MET 39 3.260 -5.823 2.749 298 HE3 MET 39 3HE MET 39 4.804 -4.980 2.878 299 H THR 40 HN THR 40 6.377 -4.567 8.582 300 HA THR 40 HA THR 40 7.118 -7.374 9.036 301 HB THR 40 HB THR 40 6.088 -5.498 11.151 302 HG1 THR 40 1HG THR 40 8.274 -4.997 11.543 303 HG21 THR 40 1HG2 THR 40 8.185 -7.545 11.620 304 HG22 THR 40 2HG2 THR 40 6.578 -8.153 11.225 305 HG23 THR 40 3HG2 THR 40 6.802 -7.099 12.621 306 H LEU 41 HN LEU 41 5.569 -8.854 8.824 307 HA LEU 41 HA LEU 41 2.750 -7.999 9.069 308 HB2 LEU 41 2HB LEU 41 4.105 -10.096 7.404 309 HB3 LEU 41 1HB LEU 41 2.381 -10.179 7.751 310 HG LEU 41 HG LEU 41 3.186 -7.494 6.919 311 HD11 LEU 41 1HD1 LEU 41 4.770 -8.387 5.479 312 HD12 LEU 41 2HD1 LEU 41 3.324 -8.309 4.469 313 HD13 LEU 41 3HD1 LEU 41 3.822 -9.844 5.164 314 HD21 LEU 41 1HD2 LEU 41 1.226 -7.726 5.533 315 HD22 LEU 41 2HD2 LEU 41 0.881 -8.455 7.097 316 HD23 LEU 41 3HD2 LEU 41 1.248 -9.479 5.712 317 H THR 42 HN THR 42 1.544 -8.866 10.624 318 HA THR 42 HA THR 42 2.612 -11.190 12.088 319 HB THR 42 HB THR 42 2.315 -10.172 14.079 320 HG1 THR 42 1HG THR 42 0.028 -9.055 12.884 321 HG21 THR 42 1HG2 THR 42 3.625 -8.569 12.681 322 HG22 THR 42 2HG2 THR 42 2.751 -7.791 14.000 323 HG23 THR 42 3HG2 THR 42 2.129 -7.696 12.353 324 H THR 43 HN THR 43 1.451 -12.629 10.904 325 HA THR 43 HA THR 43 -1.322 -12.568 10.376 326 HB THR 43 HB THR 43 0.267 -15.081 10.867 327 HG1 THR 43 1HG THR 43 1.421 -14.491 9.239 328 HG21 THR 43 1HG2 THR 43 -2.023 -14.453 8.990 329 HG22 THR 43 2HG2 THR 43 -2.214 -15.219 10.571 330 HG23 THR 43 3HG2 THR 43 -1.312 -16.041 9.293 331 H LEU 44 HN LEU 44 -2.790 -12.241 11.931 332 HA LEU 44 HA LEU 44 -2.404 -13.376 14.578 333 HB2 LEU 44 2HB LEU 44 -4.864 -11.910 13.633 334 HB3 LEU 44 1HB LEU 44 -4.266 -12.091 15.280 335 HG LEU 44 HG LEU 44 -2.904 -10.546 13.055 336 HD11 LEU 44 1HD1 LEU 44 -4.196 -8.842 13.760 337 HD12 LEU 44 2HD1 LEU 44 -3.404 -8.952 15.332 338 HD13 LEU 44 3HD1 LEU 44 -4.895 -9.846 15.030 339 HD21 LEU 44 1HD2 LEU 44 -2.097 -11.282 15.868 340 HD22 LEU 44 2HD2 LEU 44 -1.468 -9.823 15.100 341 HD23 LEU 44 3HD2 LEU 44 -1.152 -11.404 14.384 342 H GLU 45 HN GLU 45 -2.924 -15.356 15.032 343 HA GLU 45 HA GLU 45 -4.221 -17.206 13.477 344 HB2 GLU 45 2HB GLU 45 -3.833 -16.948 16.434 345 HB3 GLU 45 1HB GLU 45 -4.874 -18.232 15.819 346 HG2 GLU 45 2HG GLU 45 -3.064 -19.046 14.379 347 HG3 GLU 45 1HG GLU 45 -2.021 -17.735 14.925 348 H GLY 46 HN GLY 46 -5.644 -14.870 15.704 349 HA2 GLY 46 2HA GLY 46 -8.237 -15.730 15.937 350 HA3 GLY 46 1HA GLY 46 -7.798 -14.031 15.781 351 H GLY 47 HN GLY 47 -6.569 -14.850 13.083 352 HA2 GLY 47 2HA GLY 47 -7.582 -15.651 10.985 353 HA3 GLY 47 1HA GLY 47 -9.092 -14.934 11.536 354 H ASN 48 HN ASN 48 -7.047 -12.727 12.611 355 HA ASN 48 HA ASN 48 -7.246 -11.130 10.148 356 HB2 ASN 48 2HB ASN 48 -6.643 -10.178 12.953 357 HB3 ASN 48 1HB ASN 48 -7.087 -9.190 11.561 358 HD21 ASN 48 1HD2 ASN 48 -9.015 -11.679 10.966 359 HD22 ASN 48 2HD2 ASN 48 -10.372 -11.289 11.909 360 H LEU 49 HN LEU 49 -5.416 -9.436 9.932 361 HA LEU 49 HA LEU 49 -2.834 -10.585 10.721 362 HB2 LEU 49 2HB LEU 49 -2.845 -11.475 8.604 363 HB3 LEU 49 1HB LEU 49 -3.950 -10.258 7.983 364 HG LEU 49 HG LEU 49 -2.110 -8.623 7.876 365 HD11 LEU 49 1HD1 LEU 49 -0.837 -10.435 9.670 366 HD12 LEU 49 2HD1 LEU 49 -0.228 -8.908 9.069 367 HD13 LEU 49 3HD1 LEU 49 0.116 -10.390 8.198 368 HD21 LEU 49 1HD2 LEU 49 -0.632 -10.622 6.501 369 HD22 LEU 49 2HD2 LEU 49 -1.765 -9.465 5.820 370 HD23 LEU 49 3HD2 LEU 49 -2.336 -11.044 6.362 371 H GLU 50 HN GLU 50 -1.164 -9.036 10.979 372 HA GLU 50 HA GLU 50 -2.041 -6.223 10.756 373 HB2 GLU 50 2HB GLU 50 -1.845 -7.195 13.128 374 HB3 GLU 50 1HB GLU 50 -0.106 -7.195 12.836 375 HG2 GLU 50 2HG GLU 50 -0.143 -4.795 12.380 376 HG3 GLU 50 1HG GLU 50 -1.895 -4.763 12.573 377 H ALA 51 HN ALA 51 -0.777 -4.903 9.640 378 HA ALA 51 HA ALA 51 1.927 -5.856 8.958 379 HB1 ALA 51 1HB ALA 51 -0.257 -5.162 7.241 380 HB2 ALA 51 2HB ALA 51 1.336 -5.797 6.823 381 HB3 ALA 51 3HB ALA 51 1.092 -4.056 6.970 382 H LYS 52 HN LYS 52 3.521 -4.620 9.596 383 HA LYS 52 HA LYS 52 2.958 -1.757 10.112 384 HB2 LYS 52 2HB LYS 52 5.046 -3.085 11.736 385 HB3 LYS 52 1HB LYS 52 3.893 -1.829 12.182 386 HG2 LYS 52 2HG LYS 52 2.074 -3.542 12.147 387 HG3 LYS 52 1HG LYS 52 3.286 -4.781 11.820 388 HD2 LYS 52 2HD LYS 52 4.251 -4.591 13.938 389 HD3 LYS 52 1HD LYS 52 3.625 -2.962 14.188 390 HE2 LYS 52 2HE LYS 52 1.436 -3.743 14.621 391 HE3 LYS 52 1HE LYS 52 1.774 -5.328 13.927 392 HZ1 LYS 52 1HZ LYS 52 3.219 -4.324 16.304 393 HZ2 LYS 52 2HZ LYS 52 3.086 -5.924 15.746 394 HZ3 LYS 52 3HZ LYS 52 1.743 -5.149 16.441 395 H VAL 53 HN VAL 53 4.193 -0.387 8.991 396 HA VAL 53 HA VAL 53 6.969 -1.107 8.437 397 HB VAL 53 HB VAL 53 5.715 -1.920 6.501 398 HG11 VAL 53 1HG1 VAL 53 3.785 -0.359 6.775 399 HG12 VAL 53 2HG1 VAL 53 4.403 -0.414 5.124 400 HG13 VAL 53 3HG1 VAL 53 4.806 0.948 6.170 401 HG21 VAL 53 1HG2 VAL 53 7.332 -1.174 5.086 402 HG22 VAL 53 2HG2 VAL 53 7.926 -0.267 6.473 403 HG23 VAL 53 3HG2 VAL 53 6.859 0.510 5.306 404 H THR 54 HN THR 54 8.290 0.635 8.123 405 HA THR 54 HA THR 54 7.106 3.243 8.781 406 HB THR 54 HB THR 54 10.045 2.735 8.853 407 HG1 THR 54 1HG THR 54 8.806 0.994 9.937 408 HG21 THR 54 1HG2 THR 54 10.065 4.521 10.320 409 HG22 THR 54 2HG2 THR 54 8.462 4.151 10.955 410 HG23 THR 54 3HG2 THR 54 8.629 4.925 9.378 411 H MET 55 HN MET 55 6.992 4.713 7.197 412 HA MET 55 HA MET 55 8.727 4.310 4.844 413 HB2 MET 55 2HB MET 55 6.582 6.130 4.311 414 HB3 MET 55 1HB MET 55 6.957 4.605 3.523 415 HG2 MET 55 2HG MET 55 5.821 3.528 5.624 416 HG3 MET 55 1HG MET 55 5.116 5.134 5.840 417 HE1 MET 55 1HE MET 55 4.327 6.457 3.764 418 HE2 MET 55 2HE MET 55 3.477 5.760 2.387 419 HE3 MET 55 3HE MET 55 5.238 5.747 2.422 420 H LEU 56 HN LEU 56 9.552 6.126 3.798 421 HA LEU 56 HA LEU 56 10.023 8.383 5.643 422 HB2 LEU 56 2HB LEU 56 12.070 7.188 4.868 423 HB3 LEU 56 1HB LEU 56 11.636 7.580 3.207 424 HG LEU 56 HG LEU 56 11.691 10.011 3.785 425 HD11 LEU 56 1HD1 LEU 56 13.139 10.273 6.052 426 HD12 LEU 56 2HD1 LEU 56 12.193 8.848 6.482 427 HD13 LEU 56 3HD1 LEU 56 11.377 10.345 6.032 428 HD21 LEU 56 1HD2 LEU 56 13.684 8.832 2.858 429 HD22 LEU 56 2HD2 LEU 56 14.238 8.520 4.502 430 HD23 LEU 56 3HD2 LEU 56 14.129 10.178 3.907 431 H ILE 57 HN ILE 57 8.111 9.456 5.147 432 HA ILE 57 HA ILE 57 7.563 10.166 2.380 433 HB ILE 57 HB ILE 57 6.097 10.723 4.967 434 HG12 ILE 57 2HG1 ILE 57 6.289 8.358 3.762 435 HG13 ILE 57 1HG1 ILE 57 4.757 8.905 4.437 436 HG21 ILE 57 1HG2 ILE 57 4.250 11.337 3.275 437 HG22 ILE 57 2HG2 ILE 57 5.567 11.507 2.108 438 HG23 ILE 57 3HG2 ILE 57 5.530 12.518 3.552 439 HD11 ILE 57 1HD1 ILE 57 4.743 7.989 2.013 440 HD12 ILE 57 2HD1 ILE 57 5.500 9.511 1.576 441 HD13 ILE 57 3HD1 ILE 57 3.902 9.503 2.320 442 H SER 58 HN SER 58 8.292 11.908 1.495 443 HA SER 58 HA SER 58 9.459 13.897 1.253 444 HB2 SER 58 2HB SER 58 8.190 15.791 2.399 445 HB3 SER 58 1HB SER 58 7.259 14.769 1.308 446 HG SER 58 HG SER 58 7.462 14.086 4.024 447 H GLY 59 HN GLY 59 10.878 12.349 3.043 448 HA2 GLY 59 2HA GLY 59 12.631 12.632 4.520 449 HA3 GLY 59 1HA GLY 59 12.262 14.353 4.552 450 H ARG 60 HN ARG 60 9.812 11.990 5.286 451 HA ARG 60 HA ARG 60 10.093 12.550 8.174 452 HB2 ARG 60 2HB ARG 60 7.435 12.458 6.727 453 HB3 ARG 60 1HB ARG 60 7.718 12.857 8.418 454 HG2 ARG 60 2HG ARG 60 8.746 14.926 7.881 455 HG3 ARG 60 1HG ARG 60 8.961 14.477 6.190 456 HD2 ARG 60 2HD ARG 60 6.976 16.068 6.916 457 HD3 ARG 60 1HD ARG 60 6.750 14.861 5.654 458 HE ARG 60 HE ARG 60 6.141 13.758 8.209 459 HH11 ARG 60 1HH1 ARG 60 3.948 13.438 8.709 460 HH12 ARG 60 2HH1 ARG 60 2.729 14.276 7.807 461 HH21 ARG 60 1HH2 ARG 60 4.996 15.920 5.763 462 HH22 ARG 60 2HH2 ARG 60 3.321 15.681 6.140 463 H CYS 61 HN CYS 61 10.035 10.767 9.404 464 HA CYS 61 HA CYS 61 9.634 8.195 8.129 465 HB2 CYS 61 2HB CYS 61 10.431 9.054 10.910 466 HB3 CYS 61 1HB CYS 61 10.120 7.366 10.505 467 H GLN 62 HN GLN 62 7.519 7.793 7.685 468 HA GLN 62 HA GLN 62 5.515 8.327 9.761 469 HB2 GLN 62 2HB GLN 62 5.485 8.057 6.819 470 HB3 GLN 62 1HB GLN 62 4.087 7.386 7.661 471 HG2 GLN 62 2HG GLN 62 5.147 10.165 8.215 472 HG3 GLN 62 1HG GLN 62 3.903 9.842 7.005 473 HE21 GLN 62 1HE2 GLN 62 1.907 8.620 7.882 474 HE22 GLN 62 2HE2 GLN 62 1.415 8.976 9.467 475 H GLU 63 HN GLU 63 5.321 6.727 11.197 476 HA GLU 63 HA GLU 63 5.811 3.961 10.542 477 HB2 GLU 63 2HB GLU 63 4.334 4.814 13.004 478 HB3 GLU 63 1HB GLU 63 5.541 3.542 12.808 479 HG2 GLU 63 2HG GLU 63 6.832 5.134 13.873 480 HG3 GLU 63 1HG GLU 63 7.102 5.606 12.197 481 H VAL 64 HN VAL 64 4.405 2.754 9.437 482 HA VAL 64 HA VAL 64 1.539 3.455 9.580 483 HB VAL 64 HB VAL 64 2.742 1.592 7.562 484 HG11 VAL 64 1HG1 VAL 64 0.257 1.946 7.815 485 HG12 VAL 64 2HG1 VAL 64 0.887 2.352 6.218 486 HG13 VAL 64 3HG1 VAL 64 0.513 3.634 7.371 487 HG21 VAL 64 1HG2 VAL 64 2.936 4.602 7.666 488 HG22 VAL 64 2HG2 VAL 64 2.938 3.736 6.131 489 HG23 VAL 64 3HG2 VAL 64 4.209 3.432 7.317 490 H LYS 65 HN LYS 65 0.036 1.957 10.202 491 HA LYS 65 HA LYS 65 0.903 -0.802 10.738 492 HB2 LYS 65 2HB LYS 65 1.119 0.623 12.834 493 HB3 LYS 65 1HB LYS 65 -0.633 0.816 12.779 494 HG2 LYS 65 2HG LYS 65 -0.622 -1.814 12.576 495 HG3 LYS 65 1HG LYS 65 0.982 -1.661 13.289 496 HD2 LYS 65 2HD LYS 65 -0.344 -1.832 15.198 497 HD3 LYS 65 1HD LYS 65 -0.242 -0.083 15.002 498 HE2 LYS 65 2HE LYS 65 -2.396 -0.568 13.448 499 HE3 LYS 65 1HE LYS 65 -2.558 -1.901 14.592 500 HZ1 LYS 65 1HZ LYS 65 -2.953 0.911 14.995 501 HZ2 LYS 65 2HZ LYS 65 -1.934 0.219 16.167 502 HZ3 LYS 65 3HZ LYS 65 -3.497 -0.402 15.921 503 H ALA 66 HN ALA 66 -0.394 -1.695 9.216 504 HA ALA 66 HA ALA 66 -3.238 -0.964 9.176 505 HB1 ALA 66 1HB ALA 66 -3.059 -1.189 6.958 506 HB2 ALA 66 2HB ALA 66 -2.568 -2.872 7.156 507 HB3 ALA 66 3HB ALA 66 -1.352 -1.595 7.145 508 H VAL 67 HN VAL 67 -4.713 -2.261 9.996 509 HA VAL 67 HA VAL 67 -3.925 -4.994 10.727 510 HB VAL 67 HB VAL 67 -6.338 -3.732 11.919 511 HG11 VAL 67 1HG1 VAL 67 -4.095 -5.416 13.066 512 HG12 VAL 67 2HG1 VAL 67 -5.562 -6.083 12.352 513 HG13 VAL 67 3HG1 VAL 67 -5.662 -5.095 13.810 514 HG21 VAL 67 1HG2 VAL 67 -4.602 -2.902 13.732 515 HG22 VAL 67 2HG2 VAL 67 -4.965 -1.888 12.335 516 HG23 VAL 67 3HG2 VAL 67 -3.497 -2.862 12.359 517 H LEU 68 HN LEU 68 -4.651 -6.431 9.305 518 HA LEU 68 HA LEU 68 -6.989 -5.833 7.709 519 HB2 LEU 68 2HB LEU 68 -5.334 -8.350 7.666 520 HB3 LEU 68 1HB LEU 68 -6.254 -7.628 6.352 521 HG LEU 68 HG LEU 68 -3.730 -6.541 7.615 522 HD11 LEU 68 1HD1 LEU 68 -2.705 -7.047 5.574 523 HD12 LEU 68 2HD1 LEU 68 -4.239 -7.066 4.700 524 HD13 LEU 68 3HD1 LEU 68 -3.819 -8.399 5.773 525 HD21 LEU 68 1HD2 LEU 68 -5.743 -5.303 5.742 526 HD22 LEU 68 2HD2 LEU 68 -4.062 -4.774 5.756 527 HD23 LEU 68 3HD2 LEU 68 -5.050 -4.614 7.208 528 H GLU 69 HN GLU 69 -8.779 -6.028 9.040 529 HA GLU 69 HA GLU 69 -9.140 -8.344 10.736 530 HB2 GLU 69 2HB GLU 69 -11.153 -6.226 9.934 531 HB3 GLU 69 1HB GLU 69 -11.291 -7.353 11.282 532 HG2 GLU 69 2HG GLU 69 -9.169 -5.203 10.981 533 HG3 GLU 69 1HG GLU 69 -10.550 -5.146 12.075 534 H LYS 70 HN LYS 70 -10.020 -10.229 10.140 535 HA LYS 70 HA LYS 70 -10.712 -10.767 7.442 536 HB2 LYS 70 2HB LYS 70 -9.841 -12.512 8.892 537 HB3 LYS 70 1HB LYS 70 -11.235 -12.363 9.959 538 HG2 LYS 70 2HG LYS 70 -11.990 -12.765 7.157 539 HG3 LYS 70 1HG LYS 70 -11.032 -14.098 7.801 540 HD2 LYS 70 2HD LYS 70 -12.572 -14.254 9.742 541 HD3 LYS 70 1HD LYS 70 -13.548 -12.954 9.054 542 HE2 LYS 70 2HE LYS 70 -13.532 -15.788 8.397 543 HE3 LYS 70 1HE LYS 70 -14.697 -14.546 7.941 544 HZ1 LYS 70 1HZ LYS 70 -13.569 -15.544 6.022 545 HZ2 LYS 70 2HZ LYS 70 -12.077 -14.987 6.613 546 HZ3 LYS 70 3HZ LYS 70 -13.274 -13.878 6.140 547 H THR 71 HN THR 71 -12.618 -10.820 6.399 548 HA THR 71 HA THR 71 -15.043 -10.076 7.926 549 HB THR 71 HB THR 71 -15.856 -9.001 5.889 550 HG1 THR 71 1HG THR 71 -14.046 -10.528 4.764 551 HG21 THR 71 1HG2 THR 71 -13.466 -7.563 5.684 552 HG22 THR 71 2HG2 THR 71 -13.452 -8.218 7.321 553 HG23 THR 71 3HG2 THR 71 -14.804 -7.222 6.781 554 H ASP 72 HN ASP 72 -16.948 -10.572 6.034 555 HA ASP 72 HA ASP 72 -17.000 -13.481 6.042 556 HB2 ASP 72 2HB ASP 72 -19.350 -12.972 5.023 557 HB3 ASP 72 1HB ASP 72 -19.053 -12.636 6.728 558 H GLU 73 HN GLU 73 -15.528 -11.464 4.040 559 HA GLU 73 HA GLU 73 -16.254 -13.015 1.631 560 HB2 GLU 73 2HB GLU 73 -16.444 -10.214 2.041 561 HB3 GLU 73 1HB GLU 73 -15.119 -10.499 0.910 562 HG2 GLU 73 2HG GLU 73 -16.582 -11.868 -0.499 563 HG3 GLU 73 1HG GLU 73 -17.905 -11.670 0.651 564 HA PRO 74 HA PRO 74 -11.865 -14.115 2.514 565 HB2 PRO 74 2HB PRO 74 -12.315 -15.467 -0.117 566 HB3 PRO 74 1HB PRO 74 -11.545 -16.091 1.354 567 HG2 PRO 74 2HG PRO 74 -14.016 -16.803 0.671 568 HG3 PRO 74 1HG PRO 74 -13.549 -16.569 2.363 569 HD2 PRO 74 2HD PRO 74 -15.242 -14.846 0.627 570 HD3 PRO 74 1HD PRO 74 -15.276 -15.049 2.392 571 H GLY 75 HN GLY 75 -10.190 -12.824 2.017 572 HA2 GLY 75 2HA GLY 75 -8.639 -11.783 0.572 573 HA3 GLY 75 1HA GLY 75 -9.819 -11.880 -0.726 574 H LYS 76 HN LYS 76 -11.444 -10.842 1.908 575 HA LYS 76 HA LYS 76 -11.040 -7.985 1.258 576 HB2 LYS 76 2HB LYS 76 -13.240 -8.992 0.508 577 HB3 LYS 76 1HB LYS 76 -13.601 -9.272 2.213 578 HG2 LYS 76 2HG LYS 76 -13.192 -6.796 2.601 579 HG3 LYS 76 1HG LYS 76 -13.132 -6.608 0.852 580 HD2 LYS 76 2HD LYS 76 -15.379 -6.596 0.729 581 HD3 LYS 76 1HD LYS 76 -15.476 -8.135 1.585 582 HE2 LYS 76 2HE LYS 76 -15.304 -6.973 3.738 583 HE3 LYS 76 1HE LYS 76 -15.144 -5.427 2.907 584 HZ1 LYS 76 1HZ LYS 76 -17.391 -6.571 1.842 585 HZ2 LYS 76 2HZ LYS 76 -17.344 -5.312 2.982 586 HZ3 LYS 76 3HZ LYS 76 -17.496 -6.925 3.498 587 H TYR 77 HN TYR 77 -9.880 -7.170 2.935 588 HA TYR 77 HA TYR 77 -10.670 -7.986 5.661 589 HB2 TYR 77 2HB TYR 77 -8.102 -6.718 4.695 590 HB3 TYR 77 1HB TYR 77 -8.480 -7.146 6.366 591 HD1 TYR 77 1HD TYR 77 -8.262 -8.626 2.932 592 HD2 TYR 77 2HD TYR 77 -8.007 -9.300 7.164 593 HE1 TYR 77 1HE TYR 77 -7.499 -10.948 2.515 594 HE2 TYR 77 2HE TYR 77 -7.243 -11.624 6.749 595 HH TYR 77 HH TYR 77 -7.060 -13.241 5.169 596 H THR 78 HN THR 78 -10.890 -6.379 7.255 597 HA THR 78 HA THR 78 -11.475 -3.706 6.163 598 HB THR 78 HB THR 78 -12.975 -3.794 8.400 599 HG1 THR 78 1HG THR 78 -13.316 -5.757 8.999 600 HG21 THR 78 1HG2 THR 78 -13.918 -3.139 6.334 601 HG22 THR 78 2HG2 THR 78 -14.834 -4.573 6.804 602 HG23 THR 78 3HG2 THR 78 -13.560 -4.699 5.588 603 H ALA 79 HN ALA 79 -10.818 -1.923 7.354 604 HA ALA 79 HA ALA 79 -9.520 -2.332 9.918 605 HB1 ALA 79 1HB ALA 79 -7.889 -1.021 7.765 606 HB2 ALA 79 2HB ALA 79 -7.848 -2.771 7.980 607 HB3 ALA 79 3HB ALA 79 -7.356 -1.707 9.297 608 H ASP 80 HN ASP 80 -8.662 -0.230 10.772 609 HA ASP 80 HA ASP 80 -9.066 1.925 11.452 610 HB2 ASP 80 2HB ASP 80 -9.700 2.329 8.523 611 HB3 ASP 80 1HB ASP 80 -9.323 3.597 9.688 612 H GLY 81 HN GLY 81 -11.264 0.070 11.668 613 HA2 GLY 81 2HA GLY 81 -13.395 0.396 12.578 614 HA3 GLY 81 1HA GLY 81 -13.403 2.029 11.922 615 H GLY 82 HN GLY 82 -12.508 -0.469 9.711 616 HA2 GLY 82 2HA GLY 82 -13.743 -1.638 8.127 617 HA3 GLY 82 1HA GLY 82 -15.217 -0.974 8.811 618 H LYS 83 HN LYS 83 -12.874 1.451 8.183 619 HA LYS 83 HA LYS 83 -14.447 2.338 5.883 620 HB2 LYS 83 2HB LYS 83 -12.253 3.724 7.448 621 HB3 LYS 83 1HB LYS 83 -13.224 4.457 6.171 622 HG2 LYS 83 2HG LYS 83 -14.888 3.171 8.190 623 HG3 LYS 83 1HG LYS 83 -13.850 4.415 8.891 624 HD2 LYS 83 2HD LYS 83 -14.636 6.027 7.191 625 HD3 LYS 83 1HD LYS 83 -15.688 4.787 6.505 626 HE2 LYS 83 2HE LYS 83 -17.240 5.658 7.926 627 HE3 LYS 83 1HE LYS 83 -16.412 4.680 9.136 628 HZ1 LYS 83 1HZ LYS 83 -14.946 6.625 9.538 629 HZ2 LYS 83 2HZ LYS 83 -16.571 6.888 9.957 630 HZ3 LYS 83 3HZ LYS 83 -15.945 7.544 8.520 631 H HIS 84 HN HIS 84 -11.575 0.699 6.604 632 HA HIS 84 HA HIS 84 -10.435 1.284 3.951 633 HB2 HIS 84 2HB HIS 84 -9.256 1.097 6.581 634 HB3 HIS 84 1HB HIS 84 -8.575 -0.141 5.529 635 HD1 HIS 84 1HD HIS 84 -8.348 3.415 6.292 636 HD2 HIS 84 2HD HIS 84 -7.578 1.028 2.968 637 HE1 HIS 84 1HE HIS 84 -6.902 4.794 4.734 638 H VAL 85 HN VAL 85 -10.736 -0.283 2.528 639 HA VAL 85 HA VAL 85 -11.201 -3.018 3.525 640 HB VAL 85 HB VAL 85 -11.987 -1.991 0.822 641 HG11 VAL 85 1HG1 VAL 85 -13.149 -4.242 2.467 642 HG12 VAL 85 2HG1 VAL 85 -11.794 -4.481 1.361 643 HG13 VAL 85 3HG1 VAL 85 -13.356 -3.943 0.740 644 HG21 VAL 85 1HG2 VAL 85 -14.332 -1.962 1.986 645 HG22 VAL 85 2HG2 VAL 85 -13.257 -0.582 2.215 646 HG23 VAL 85 3HG2 VAL 85 -13.400 -1.809 3.475 647 H ALA 86 HN ALA 86 -9.123 -3.782 3.523 648 HA ALA 86 HA ALA 86 -7.444 -3.421 1.195 649 HB1 ALA 86 1HB ALA 86 -6.369 -3.173 3.339 650 HB2 ALA 86 2HB ALA 86 -5.740 -4.621 2.544 651 HB3 ALA 86 3HB ALA 86 -6.932 -4.770 3.840 652 H TYR 87 HN TYR 87 -6.618 -5.019 -0.044 653 HA TYR 87 HA TYR 87 -7.881 -7.670 0.187 654 HB2 TYR 87 2HB TYR 87 -7.419 -6.037 -2.326 655 HB3 TYR 87 1HB TYR 87 -7.882 -7.739 -2.324 656 HD1 TYR 87 1HD TYR 87 -8.942 -4.368 -1.115 657 HD2 TYR 87 2HD TYR 87 -10.132 -8.379 -2.083 658 HE1 TYR 87 1HE TYR 87 -11.323 -3.719 -0.869 659 HE2 TYR 87 2HE TYR 87 -12.515 -7.731 -1.835 660 HH TYR 87 HH TYR 87 -13.446 -4.364 -1.198 661 H ILE 88 HN ILE 88 -6.457 -9.303 0.138 662 HA ILE 88 HA ILE 88 -3.660 -8.722 -0.625 663 HB ILE 88 HB ILE 88 -4.347 -11.150 0.955 664 HG12 ILE 88 2HG1 ILE 88 -4.408 -8.306 1.993 665 HG13 ILE 88 1HG1 ILE 88 -5.667 -9.532 2.141 666 HG21 ILE 88 1HG2 ILE 88 -2.152 -10.929 1.710 667 HG22 ILE 88 2HG2 ILE 88 -2.147 -9.177 1.499 668 HG23 ILE 88 3HG2 ILE 88 -2.022 -10.237 0.094 669 HD11 ILE 88 1HD1 ILE 88 -3.602 -10.858 3.287 670 HD12 ILE 88 2HD1 ILE 88 -4.723 -9.849 4.198 671 HD13 ILE 88 3HD1 ILE 88 -3.160 -9.199 3.694 672 H ILE 89 HN ILE 89 -3.096 -9.510 -2.552 673 HA ILE 89 HA ILE 89 -4.366 -12.019 -3.445 674 HB ILE 89 HB ILE 89 -3.106 -10.439 -5.540 675 HG12 ILE 89 2HG1 ILE 89 -3.862 -8.548 -4.150 676 HG13 ILE 89 1HG1 ILE 89 -4.834 -8.675 -5.610 677 HG21 ILE 89 1HG2 ILE 89 -5.911 -11.517 -5.122 678 HG22 ILE 89 2HG2 ILE 89 -4.592 -12.347 -5.947 679 HG23 ILE 89 3HG2 ILE 89 -5.279 -10.878 -6.640 680 HD11 ILE 89 1HD1 ILE 89 -6.698 -8.880 -4.381 681 HD12 ILE 89 2HD1 ILE 89 -5.734 -8.697 -2.917 682 HD13 ILE 89 3HD1 ILE 89 -6.036 -10.300 -3.577 683 H ARG 90 HN ARG 90 -3.059 -13.437 -4.665 684 HA ARG 90 HA ARG 90 -0.220 -13.310 -3.907 685 HB2 ARG 90 2HB ARG 90 -0.234 -15.775 -4.515 686 HB3 ARG 90 1HB ARG 90 -1.181 -15.330 -3.101 687 HG2 ARG 90 2HG ARG 90 -3.201 -15.193 -4.690 688 HG3 ARG 90 1HG ARG 90 -2.183 -16.018 -5.869 689 HD2 ARG 90 2HD ARG 90 -2.797 -17.042 -3.088 690 HD3 ARG 90 1HD ARG 90 -3.573 -17.604 -4.567 691 HE ARG 90 HE ARG 90 -0.884 -17.924 -5.038 692 HH11 ARG 90 1HH1 ARG 90 0.211 -19.858 -4.565 693 HH12 ARG 90 2HH1 ARG 90 -0.411 -20.923 -3.348 694 HH21 ARG 90 1HH2 ARG 90 -3.135 -18.911 -2.602 695 HH22 ARG 90 2HH2 ARG 90 -2.305 -20.386 -2.237 696 H SER 91 HN SER 91 0.801 -12.207 -5.461 697 HA SER 91 HA SER 91 0.309 -11.841 -8.091 698 HB2 SER 91 2HB SER 91 2.382 -11.155 -6.609 699 HB3 SER 91 1HB SER 91 3.119 -12.571 -7.354 700 HG SER 91 HG SER 91 2.974 -11.638 -9.297 701 H HIS 92 HN HIS 92 1.293 -12.885 -10.048 702 HA HIS 92 HA HIS 92 0.709 -15.719 -9.946 703 HB2 HIS 92 2HB HIS 92 0.738 -15.691 -12.266 704 HB3 HIS 92 1HB HIS 92 0.278 -14.026 -11.909 705 HD1 HIS 92 1HD HIS 92 1.981 -12.182 -12.392 706 HD2 HIS 92 2HD HIS 92 3.436 -16.002 -13.201 707 HE1 HIS 92 1HE HIS 92 4.136 -11.873 -13.663 708 H VAL 93 HN VAL 93 3.327 -13.836 -9.193 709 HA VAL 93 HA VAL 93 5.288 -15.916 -9.916 710 HB VAL 93 HB VAL 93 5.823 -13.123 -8.881 711 HG11 VAL 93 1HG1 VAL 93 8.037 -13.587 -10.036 712 HG12 VAL 93 2HG1 VAL 93 7.510 -15.260 -10.210 713 HG13 VAL 93 3HG1 VAL 93 7.725 -14.566 -8.603 714 HG21 VAL 93 1HG2 VAL 93 6.341 -12.629 -11.304 715 HG22 VAL 93 2HG2 VAL 93 4.629 -12.882 -10.963 716 HG23 VAL 93 3HG2 VAL 93 5.579 -14.165 -11.714 717 H LYS 94 HN LYS 94 6.859 -16.512 -8.262 718 HA LYS 94 HA LYS 94 5.572 -16.909 -5.703 719 HB2 LYS 94 2HB LYS 94 7.149 -18.522 -7.074 720 HB3 LYS 94 1HB LYS 94 8.420 -17.660 -6.209 721 HG2 LYS 94 2HG LYS 94 7.142 -18.133 -4.070 722 HG3 LYS 94 1HG LYS 94 6.108 -19.205 -5.014 723 HD2 LYS 94 2HD LYS 94 8.132 -20.477 -5.722 724 HD3 LYS 94 1HD LYS 94 9.112 -19.448 -4.676 725 HE2 LYS 94 2HE LYS 94 7.939 -20.217 -2.708 726 HE3 LYS 94 1HE LYS 94 6.762 -21.087 -3.690 727 HZ1 LYS 94 1HZ LYS 94 9.231 -21.995 -2.743 728 HZ2 LYS 94 2HZ LYS 94 9.326 -21.920 -4.437 729 HZ3 LYS 94 3HZ LYS 94 8.102 -22.831 -3.692 730 H ASP 95 HN ASP 95 6.531 -16.386 -3.681 731 HA ASP 95 HA ASP 95 7.439 -14.924 -2.143 732 HB2 ASP 95 2HB ASP 95 9.487 -15.086 -4.292 733 HB3 ASP 95 1HB ASP 95 9.636 -13.748 -3.165 734 H HIS 96 HN HIS 96 5.492 -14.015 -4.266 735 HA HIS 96 HA HIS 96 5.899 -11.148 -3.793 736 HB2 HIS 96 2HB HIS 96 5.492 -12.483 -6.443 737 HB3 HIS 96 1HB HIS 96 4.954 -10.822 -6.184 738 HD1 HIS 96 1HD HIS 96 8.109 -12.931 -5.850 739 HD2 HIS 96 2HD HIS 96 6.996 -8.942 -6.327 740 HE1 HIS 96 1HE HIS 96 10.257 -11.618 -6.140 741 H TYR 97 HN TYR 97 4.099 -9.989 -3.352 742 HA TYR 97 HA TYR 97 1.469 -11.240 -3.747 743 HB2 TYR 97 2HB TYR 97 2.746 -10.622 -1.157 744 HB3 TYR 97 1HB TYR 97 1.062 -10.115 -1.328 745 HD1 TYR 97 1HD TYR 97 3.338 -13.020 -1.828 746 HD2 TYR 97 2HD TYR 97 -0.691 -11.698 -1.165 747 HE1 TYR 97 1HE TYR 97 2.606 -15.380 -1.549 748 HE2 TYR 97 2HE TYR 97 -1.425 -14.043 -0.889 749 HH TYR 97 HH TYR 97 -0.385 -16.230 -0.241 750 H ILE 98 HN ILE 98 -0.167 -9.867 -4.186 751 HA ILE 98 HA ILE 98 0.566 -7.058 -4.584 752 HB ILE 98 HB ILE 98 -1.964 -8.416 -5.524 753 HG12 ILE 98 2HG1 ILE 98 0.076 -9.703 -6.301 754 HG13 ILE 98 1HG1 ILE 98 -0.912 -9.048 -7.596 755 HG21 ILE 98 1HG2 ILE 98 -1.654 -6.669 -7.382 756 HG22 ILE 98 2HG2 ILE 98 -0.447 -5.939 -6.326 757 HG23 ILE 98 3HG2 ILE 98 -2.119 -6.077 -5.785 758 HD11 ILE 98 1HD1 ILE 98 1.839 -8.670 -7.241 759 HD12 ILE 98 2HD1 ILE 98 1.127 -7.124 -6.781 760 HD13 ILE 98 3HD1 ILE 98 0.799 -7.810 -8.368 761 H PHE 99 HN PHE 99 -0.274 -5.499 -3.328 762 HA PHE 99 HA PHE 99 -2.452 -6.271 -1.502 763 HB2 PHE 99 2HB PHE 99 -0.253 -5.911 -0.392 764 HB3 PHE 99 1HB PHE 99 -0.226 -4.277 -1.043 765 HD1 PHE 99 1HD PHE 99 -1.445 -6.418 1.571 766 HD2 PHE 99 2HD PHE 99 -2.123 -2.681 -0.440 767 HE1 PHE 99 1HE PHE 99 -2.837 -5.646 3.480 768 HE2 PHE 99 2HE PHE 99 -3.505 -1.905 1.466 769 HZ PHE 99 HZ PHE 99 -3.864 -3.386 3.426 770 H TYR 100 HN TYR 100 -4.265 -5.095 -1.685 771 HA TYR 100 HA TYR 100 -4.098 -2.414 -2.923 772 HB2 TYR 100 2HB TYR 100 -4.852 -3.778 -4.716 773 HB3 TYR 100 1HB TYR 100 -5.904 -4.720 -3.662 774 HD1 TYR 100 1HD TYR 100 -5.347 -1.194 -4.798 775 HD2 TYR 100 2HD TYR 100 -8.173 -4.166 -3.530 776 HE1 TYR 100 1HE TYR 100 -7.204 0.373 -5.281 777 HE2 TYR 100 2HE TYR 100 -10.034 -2.599 -4.014 778 HH TYR 100 HH TYR 100 -9.983 -0.205 -5.883 779 H SER 101 HN SER 101 -5.876 -1.035 -2.362 780 HA SER 101 HA SER 101 -7.809 -1.887 -0.451 781 HB2 SER 101 2HB SER 101 -7.039 -0.686 1.492 782 HB3 SER 101 1HB SER 101 -5.773 -1.792 0.974 783 HG SER 101 HG SER 101 -5.915 0.909 0.130 784 H GLU 102 HN GLU 102 -9.252 -0.238 0.237 785 HA GLU 102 HA GLU 102 -9.073 2.297 -1.269 786 HB2 GLU 102 2HB GLU 102 -11.806 1.463 -1.156 787 HB3 GLU 102 1HB GLU 102 -10.810 1.768 -2.579 788 HG2 GLU 102 2HG GLU 102 -9.897 -0.531 -2.411 789 HG3 GLU 102 1HG GLU 102 -10.946 -0.833 -1.027 790 H GLY 103 HN GLY 103 -8.778 3.605 0.438 791 HA2 GLY 103 2HA GLY 103 -10.703 3.428 2.685 792 HA3 GLY 103 1HA GLY 103 -9.078 4.088 2.811 793 H GLU 104 HN GLU 104 -10.116 5.977 3.720 794 HA GLU 104 HA GLU 104 -10.810 7.830 1.578 795 HB2 GLU 104 2HB GLU 104 -12.691 6.836 3.586 796 HB3 GLU 104 1HB GLU 104 -12.566 8.595 3.581 797 HG2 GLU 104 2HG GLU 104 -12.969 8.618 1.144 798 HG3 GLU 104 1HG GLU 104 -13.104 6.860 1.154 799 H LEU 105 HN LEU 105 -9.915 9.788 1.875 800 HA LEU 105 HA LEU 105 -8.852 10.440 4.554 801 HB2 LEU 105 2HB LEU 105 -7.294 9.823 2.380 802 HB3 LEU 105 1HB LEU 105 -7.406 11.577 2.259 803 HG LEU 105 HG LEU 105 -6.840 11.597 4.781 804 HD11 LEU 105 1HD1 LEU 105 -7.103 8.877 4.514 805 HD12 LEU 105 2HD1 LEU 105 -6.215 9.670 5.816 806 HD13 LEU 105 3HD1 LEU 105 -5.356 9.078 4.392 807 HD21 LEU 105 1HD2 LEU 105 -4.926 10.826 2.575 808 HD22 LEU 105 2HD2 LEU 105 -4.355 11.182 4.206 809 HD23 LEU 105 3HD2 LEU 105 -5.201 12.420 3.278 810 H HIS 106 HN HIS 106 -10.303 11.908 5.207 811 HA HIS 106 HA HIS 106 -11.349 13.929 5.376 812 HB2 HIS 106 2HB HIS 106 -9.867 14.877 2.932 813 HB3 HIS 106 1HB HIS 106 -10.465 15.827 4.290 814 HD1 HIS 106 1HD HIS 106 -9.149 13.027 5.917 815 HD2 HIS 106 2HD HIS 106 -7.352 16.266 4.003 816 HE1 HIS 106 1HE HIS 106 -6.787 13.174 6.820 817 H GLY 107 HN GLY 107 -12.532 11.803 3.975 818 HA2 GLY 107 2HA GLY 107 -14.496 11.470 2.813 819 HA3 GLY 107 1HA GLY 107 -14.633 13.217 2.647 820 H LYS 108 HN LYS 108 -11.763 11.507 1.602 821 HA LYS 108 HA LYS 108 -12.620 11.796 -1.211 822 HB2 LYS 108 2HB LYS 108 -9.986 12.610 0.016 823 HB3 LYS 108 1HB LYS 108 -10.247 12.445 -1.720 824 HG2 LYS 108 2HG LYS 108 -11.735 14.243 -1.809 825 HG3 LYS 108 1HG LYS 108 -12.134 14.126 -0.095 826 HD2 LYS 108 2HD LYS 108 -10.718 16.088 -0.499 827 HD3 LYS 108 1HD LYS 108 -9.848 14.903 0.476 828 HE2 LYS 108 2HE LYS 108 -8.482 15.875 -1.403 829 HE3 LYS 108 1HE LYS 108 -8.622 14.118 -1.457 830 HZ1 LYS 108 1HZ LYS 108 -10.703 15.578 -2.846 831 HZ2 LYS 108 2HZ LYS 108 -9.853 14.184 -3.314 832 HZ3 LYS 108 3HZ LYS 108 -9.155 15.719 -3.523 833 HA PRO 109 HA PRO 109 -11.594 7.333 -0.574 834 HB2 PRO 109 2HB PRO 109 -12.141 7.484 -3.512 835 HB3 PRO 109 1HB PRO 109 -12.665 6.268 -2.328 836 HG2 PRO 109 2HG PRO 109 -14.336 8.133 -3.195 837 HG3 PRO 109 1HG PRO 109 -14.352 7.599 -1.506 838 HD2 PRO 109 2HD PRO 109 -13.351 10.155 -2.660 839 HD3 PRO 109 1HD PRO 109 -14.016 9.832 -1.042 840 H VAL 110 HN VAL 110 -9.712 6.264 -0.795 841 HA VAL 110 HA VAL 110 -7.769 7.221 -2.789 842 HB VAL 110 HB VAL 110 -5.981 6.825 -1.035 843 HG11 VAL 110 1HG1 VAL 110 -6.636 9.020 0.199 844 HG12 VAL 110 2HG1 VAL 110 -8.032 9.025 -0.877 845 HG13 VAL 110 3HG1 VAL 110 -6.402 9.083 -1.548 846 HG21 VAL 110 1HG2 VAL 110 -7.729 7.408 1.189 847 HG22 VAL 110 2HG2 VAL 110 -6.567 6.094 1.013 848 HG23 VAL 110 3HG2 VAL 110 -8.218 5.897 0.424 849 H ARG 111 HN ARG 111 -7.626 5.560 -4.147 850 HA ARG 111 HA ARG 111 -7.464 2.837 -3.057 851 HB2 ARG 111 2HB ARG 111 -7.578 3.003 -5.950 852 HB3 ARG 111 1HB ARG 111 -8.670 2.179 -4.836 853 HG2 ARG 111 2HG ARG 111 -9.759 4.377 -4.349 854 HG3 ARG 111 1HG ARG 111 -8.736 5.118 -5.580 855 HD2 ARG 111 2HD ARG 111 -10.231 4.505 -7.141 856 HD3 ARG 111 1HD ARG 111 -9.883 2.820 -6.769 857 HE ARG 111 HE ARG 111 -11.865 2.725 -5.541 858 HH11 ARG 111 1HH1 ARG 111 -13.850 3.595 -4.864 859 HH12 ARG 111 2HH1 ARG 111 -14.131 5.299 -4.994 860 HH21 ARG 111 1HH2 ARG 111 -11.013 5.981 -6.349 861 HH22 ARG 111 2HH2 ARG 111 -12.525 6.650 -5.835 862 H GLY 112 HN GLY 112 -5.540 1.801 -3.076 863 HA2 GLY 112 2HA GLY 112 -3.505 2.654 -5.018 864 HA3 GLY 112 1HA GLY 112 -3.105 2.716 -3.311 865 H VAL 113 HN VAL 113 -1.929 1.156 -5.464 866 HA VAL 113 HA VAL 113 -2.415 -1.572 -4.431 867 HB VAL 113 HB VAL 113 -1.006 -1.064 -7.028 868 HG11 VAL 113 1HG1 VAL 113 -1.755 -3.251 -7.544 869 HG12 VAL 113 2HG1 VAL 113 -3.008 -3.194 -6.298 870 HG13 VAL 113 3HG1 VAL 113 -1.311 -3.315 -5.833 871 HG21 VAL 113 1HG2 VAL 113 -3.509 -1.457 -7.931 872 HG22 VAL 113 2HG2 VAL 113 -2.823 0.151 -7.704 873 HG23 VAL 113 3HG2 VAL 113 -3.881 -0.537 -6.474 874 H LYS 114 HN LYS 114 -0.646 -2.676 -3.658 875 HA LYS 114 HA LYS 114 2.001 -1.437 -4.035 876 HB2 LYS 114 2HB LYS 114 1.380 -2.655 -1.376 877 HB3 LYS 114 1HB LYS 114 2.544 -1.410 -1.795 878 HG2 LYS 114 2HG LYS 114 -0.403 -0.811 -2.025 879 HG3 LYS 114 1HG LYS 114 0.398 -0.740 -0.464 880 HD2 LYS 114 2HD LYS 114 2.031 0.855 -1.336 881 HD3 LYS 114 1HD LYS 114 1.293 0.754 -2.934 882 HE2 LYS 114 2HE LYS 114 -0.217 2.313 -2.362 883 HE3 LYS 114 1HE LYS 114 -0.764 1.302 -1.024 884 HZ1 LYS 114 1HZ LYS 114 -0.023 3.137 0.087 885 HZ2 LYS 114 2HZ LYS 114 1.210 3.470 -1.034 886 HZ3 LYS 114 3HZ LYS 114 1.395 2.206 0.086 887 H LEU 115 HN LEU 115 3.603 -2.871 -4.517 888 HA LEU 115 HA LEU 115 2.879 -5.732 -4.500 889 HB2 LEU 115 2HB LEU 115 3.452 -5.064 -6.714 890 HB3 LEU 115 1HB LEU 115 4.815 -4.112 -6.158 891 HG LEU 115 HG LEU 115 6.029 -6.162 -5.539 892 HD11 LEU 115 1HD1 LEU 115 4.759 -8.294 -6.604 893 HD12 LEU 115 2HD1 LEU 115 3.363 -7.360 -6.074 894 HD13 LEU 115 3HD1 LEU 115 4.594 -7.840 -4.909 895 HD21 LEU 115 1HD2 LEU 115 6.043 -7.235 -7.900 896 HD22 LEU 115 2HD2 LEU 115 6.482 -5.530 -7.765 897 HD23 LEU 115 3HD2 LEU 115 4.872 -5.985 -8.318 898 H VAL 116 HN VAL 116 3.909 -7.063 -3.174 899 HA VAL 116 HA VAL 116 6.374 -6.079 -1.901 900 HB VAL 116 HB VAL 116 5.760 -7.065 0.152 901 HG11 VAL 116 1HG1 VAL 116 3.006 -6.278 -0.306 902 HG12 VAL 116 2HG1 VAL 116 4.118 -5.134 -1.059 903 HG13 VAL 116 3HG1 VAL 116 4.243 -5.474 0.662 904 HG21 VAL 116 1HG2 VAL 116 4.838 -9.176 -0.605 905 HG22 VAL 116 2HG2 VAL 116 3.503 -8.362 -1.395 906 HG23 VAL 116 3HG2 VAL 116 3.613 -8.373 0.362 907 H GLY 117 HN GLY 117 8.137 -7.377 -1.989 908 HA2 GLY 117 2HA GLY 117 7.806 -9.926 -3.418 909 HA3 GLY 117 1HA GLY 117 9.303 -9.027 -3.237 910 H ARG 118 HN ARG 118 10.678 -10.254 -2.151 911 HA ARG 118 HA ARG 118 10.070 -11.062 0.552 912 HB2 ARG 118 2HB ARG 118 9.241 -12.939 -1.011 913 HB3 ARG 118 1HB ARG 118 10.951 -13.255 -1.308 914 HG2 ARG 118 2HG ARG 118 10.766 -14.592 0.530 915 HG3 ARG 118 1HG ARG 118 10.941 -13.073 1.408 916 HD2 ARG 118 2HD ARG 118 8.367 -12.883 1.169 917 HD3 ARG 118 1HD ARG 118 8.423 -14.601 0.785 918 HE ARG 118 HE ARG 118 9.808 -13.828 3.228 919 HH11 ARG 118 1HH1 ARG 118 8.961 -14.743 5.124 920 HH12 ARG 118 2HH1 ARG 118 7.417 -15.528 5.086 921 HH21 ARG 118 1HH2 ARG 118 6.903 -14.938 1.708 922 HH22 ARG 118 2HH2 ARG 118 6.252 -15.637 3.153 923 H ASP 119 HN ASP 119 12.199 -10.357 -2.023 924 HA ASP 119 HA ASP 119 14.429 -10.292 -0.140 925 HB2 ASP 119 2HB ASP 119 15.813 -11.336 -2.159 926 HB3 ASP 119 1HB ASP 119 15.054 -12.349 -0.931 927 HA PRO 120 HA PRO 120 15.592 -6.460 -2.005 928 HB2 PRO 120 2HB PRO 120 18.224 -7.699 -2.673 929 HB3 PRO 120 1HB PRO 120 17.874 -6.188 -1.815 930 HG2 PRO 120 2HG PRO 120 18.651 -8.481 -0.589 931 HG3 PRO 120 1HG PRO 120 17.683 -7.219 0.188 932 HD2 PRO 120 2HD PRO 120 16.879 -9.924 -0.599 933 HD3 PRO 120 1HD PRO 120 16.035 -8.756 0.441 934 H LYS 121 HN LYS 121 16.173 -9.481 -3.677 935 HA LYS 121 HA LYS 121 16.801 -8.573 -6.242 936 HB2 LYS 121 2HB LYS 121 16.298 -11.035 -5.083 937 HB3 LYS 121 1HB LYS 121 14.982 -10.860 -6.244 938 HG2 LYS 121 2HG LYS 121 16.808 -11.880 -7.428 939 HG3 LYS 121 1HG LYS 121 16.725 -10.203 -7.968 940 HD2 LYS 121 2HD LYS 121 18.879 -9.961 -7.362 941 HD3 LYS 121 1HD LYS 121 18.390 -10.195 -5.684 942 HE2 LYS 121 2HE LYS 121 20.143 -11.810 -6.336 943 HE3 LYS 121 1HE LYS 121 18.632 -12.632 -5.942 944 HZ1 LYS 121 1HZ LYS 121 20.067 -12.650 -8.367 945 HZ2 LYS 121 2HZ LYS 121 18.530 -11.982 -8.640 946 HZ3 LYS 121 3HZ LYS 121 18.677 -13.527 -7.951 947 H ASN 122 HN ASN 122 15.224 -8.914 -8.167 948 HA ASN 122 HA ASN 122 12.557 -7.844 -7.541 949 HB2 ASN 122 2HB ASN 122 13.449 -6.578 -9.922 950 HB3 ASN 122 1HB ASN 122 13.031 -5.828 -8.382 951 HD21 ASN 122 1HD2 ASN 122 14.848 -5.698 -6.734 952 HD22 ASN 122 2HD2 ASN 122 16.443 -5.575 -7.299 953 H ASN 123 HN ASN 123 10.947 -8.504 -8.895 954 HA ASN 123 HA ASN 123 11.727 -10.362 -11.066 955 HB2 ASN 123 2HB ASN 123 9.732 -10.551 -8.905 956 HB3 ASN 123 1HB ASN 123 9.143 -11.018 -10.500 957 HD21 ASN 123 1HD2 ASN 123 10.444 -12.384 -7.815 958 HD22 ASN 123 2HD2 ASN 123 11.308 -13.665 -8.520 959 H LEU 124 HN LEU 124 11.708 -8.914 -12.753 960 HA LEU 124 HA LEU 124 9.968 -6.836 -13.240 961 HB2 LEU 124 2HB LEU 124 10.470 -7.195 -15.658 962 HB3 LEU 124 1HB LEU 124 11.915 -7.210 -14.646 963 HG LEU 124 HG LEU 124 10.898 -9.870 -14.713 964 HD11 LEU 124 1HD1 LEU 124 9.713 -9.112 -16.785 965 HD12 LEU 124 2HD1 LEU 124 10.918 -10.362 -17.096 966 HD13 LEU 124 3HD1 LEU 124 11.276 -8.677 -17.476 967 HD21 LEU 124 1HD2 LEU 124 13.257 -9.170 -14.423 968 HD22 LEU 124 2HD2 LEU 124 13.287 -8.603 -16.092 969 HD23 LEU 124 3HD2 LEU 124 13.090 -10.321 -15.749 970 H GLU 125 HN GLU 125 9.413 -10.253 -13.497 971 HA GLU 125 HA GLU 125 7.057 -10.084 -15.107 972 HB2 GLU 125 2HB GLU 125 8.368 -12.180 -13.425 973 HB3 GLU 125 1HB GLU 125 6.679 -12.405 -13.881 974 HG2 GLU 125 2HG GLU 125 7.249 -12.158 -16.245 975 HG3 GLU 125 1HG GLU 125 8.931 -11.833 -15.828 976 H ALA 126 HN ALA 126 7.759 -10.070 -11.660 977 HA ALA 126 HA ALA 126 5.034 -10.159 -10.817 978 HB1 ALA 126 1HB ALA 126 7.104 -10.689 -9.400 979 HB2 ALA 126 2HB ALA 126 5.852 -9.714 -8.632 980 HB3 ALA 126 3HB ALA 126 7.312 -8.944 -9.252 981 H LEU 127 HN LEU 127 7.362 -7.581 -11.543 982 HA LEU 127 HA LEU 127 5.734 -5.453 -10.643 983 HB2 LEU 127 2HB LEU 127 8.215 -5.779 -12.130 984 HB3 LEU 127 1HB LEU 127 7.240 -4.461 -12.776 985 HG LEU 127 HG LEU 127 7.781 -4.747 -9.815 986 HD11 LEU 127 1HD1 LEU 127 9.428 -3.428 -11.976 987 HD12 LEU 127 2HD1 LEU 127 9.966 -4.539 -10.716 988 HD13 LEU 127 3HD1 LEU 127 9.500 -2.889 -10.298 989 HD21 LEU 127 1HD2 LEU 127 6.730 -2.723 -9.635 990 HD22 LEU 127 2HD2 LEU 127 5.999 -3.184 -11.172 991 HD23 LEU 127 3HD2 LEU 127 7.409 -2.126 -11.149 992 H GLU 128 HN GLU 128 5.965 -7.183 -13.710 993 HA GLU 128 HA GLU 128 4.230 -5.435 -15.149 994 HB2 GLU 128 2HB GLU 128 5.558 -6.890 -16.472 995 HB3 GLU 128 1HB GLU 128 5.084 -8.305 -15.532 996 HG2 GLU 128 2HG GLU 128 2.914 -8.345 -16.461 997 HG3 GLU 128 1HG GLU 128 3.035 -6.685 -17.039 998 H ASP 129 HN ASP 129 3.764 -8.430 -13.320 999 HA ASP 129 HA ASP 129 1.007 -8.721 -13.791 1000 HB2 ASP 129 2HB ASP 129 2.574 -10.410 -12.694 1001 HB3 ASP 129 1HB ASP 129 2.394 -9.466 -11.216 1002 H PHE 130 HN PHE 130 2.805 -6.996 -11.289 1003 HA PHE 130 HA PHE 130 0.533 -6.064 -9.874 1004 HB2 PHE 130 2HB PHE 130 2.570 -5.947 -8.716 1005 HB3 PHE 130 1HB PHE 130 3.418 -5.243 -10.092 1006 HD1 PHE 130 1HD PHE 130 1.232 -4.629 -7.257 1007 HD2 PHE 130 2HD PHE 130 3.102 -2.858 -10.681 1008 HE1 PHE 130 1HE PHE 130 0.767 -2.404 -6.350 1009 HE2 PHE 130 2HE PHE 130 2.622 -0.597 -9.773 1010 HZ PHE 130 HZ PHE 130 1.448 -0.365 -7.598 1011 H GLU 131 HN GLU 131 2.607 -4.673 -12.382 1012 HA GLU 131 HA GLU 131 1.266 -2.216 -12.646 1013 HB2 GLU 131 2HB GLU 131 3.523 -2.921 -13.671 1014 HB3 GLU 131 1HB GLU 131 2.570 -3.667 -14.953 1015 HG2 GLU 131 2HG GLU 131 2.887 -1.554 -15.849 1016 HG3 GLU 131 1HG GLU 131 1.374 -1.298 -14.982 1017 H LYS 132 HN LYS 132 0.301 -5.386 -13.334 1018 HA LYS 132 HA LYS 132 -1.596 -4.625 -15.393 1019 HB2 LYS 132 2HB LYS 132 -0.406 -7.053 -14.558 1020 HB3 LYS 132 1HB LYS 132 -2.122 -7.190 -14.186 1021 HG2 LYS 132 2HG LYS 132 -1.003 -6.338 -16.872 1022 HG3 LYS 132 1HG LYS 132 -1.581 -7.961 -16.495 1023 HD2 LYS 132 2HD LYS 132 -3.725 -7.345 -16.789 1024 HD3 LYS 132 1HD LYS 132 -3.529 -5.965 -15.708 1025 HE2 LYS 132 2HE LYS 132 -4.142 -5.250 -18.006 1026 HE3 LYS 132 1HE LYS 132 -2.554 -4.645 -17.536 1027 HZ1 LYS 132 1HZ LYS 132 -2.006 -7.066 -18.622 1028 HZ2 LYS 132 2HZ LYS 132 -1.854 -5.573 -19.420 1029 HZ3 LYS 132 3HZ LYS 132 -3.266 -6.502 -19.608 1030 H ALA 133 HN ALA 133 -1.440 -5.551 -11.994 1031 HA ALA 133 HA ALA 133 -4.216 -5.397 -11.483 1032 HB1 ALA 133 1HB ALA 133 -2.436 -6.391 -9.953 1033 HB2 ALA 133 2HB ALA 133 -3.651 -5.392 -9.158 1034 HB3 ALA 133 3HB ALA 133 -2.047 -4.736 -9.483 1035 H ALA 134 HN ALA 134 -1.628 -2.970 -11.093 1036 HA ALA 134 HA ALA 134 -3.283 -0.904 -10.196 1037 HB1 ALA 134 1HB ALA 134 -1.307 0.185 -10.178 1038 HB2 ALA 134 2HB ALA 134 -1.204 0.074 -11.935 1039 HB3 ALA 134 3HB ALA 134 -0.570 -1.227 -10.933 1040 H GLY 135 HN GLY 135 -2.257 -1.918 -13.442 1041 HA2 GLY 135 2HA GLY 135 -3.624 0.050 -14.874 1042 HA3 GLY 135 1HA GLY 135 -3.276 -1.569 -15.489 1043 H ALA 136 HN ALA 136 -4.648 -3.205 -13.927 1044 HA ALA 136 HA ALA 136 -7.278 -3.104 -14.845 1045 HB1 ALA 136 1HB ALA 136 -6.171 -5.168 -14.047 1046 HB2 ALA 136 2HB ALA 136 -7.720 -4.908 -13.242 1047 HB3 ALA 136 3HB ALA 136 -6.215 -4.539 -12.400 1048 H ARG 137 HN ARG 137 -5.757 -1.390 -12.306 1049 HA ARG 137 HA ARG 137 -8.383 -0.656 -11.160 1050 HB2 ARG 137 2HB ARG 137 -6.011 -1.499 -9.879 1051 HB3 ARG 137 1HB ARG 137 -6.143 0.233 -9.586 1052 HG2 ARG 137 2HG ARG 137 -7.338 -0.950 -7.826 1053 HG3 ARG 137 1HG ARG 137 -8.504 -0.109 -8.847 1054 HD2 ARG 137 2HD ARG 137 -7.961 -2.762 -9.886 1055 HD3 ARG 137 1HD ARG 137 -8.493 -2.846 -8.210 1056 HE ARG 137 HE ARG 137 -10.164 -1.074 -9.670 1057 HH11 ARG 137 1HH1 ARG 137 -12.228 -1.812 -10.264 1058 HH12 ARG 137 2HH1 ARG 137 -12.563 -3.512 -10.277 1059 HH21 ARG 137 1HH2 ARG 137 -9.375 -4.418 -9.255 1060 HH22 ARG 137 2HH2 ARG 137 -10.948 -4.986 -9.704 1061 H GLY 138 HN GLY 138 -6.258 0.320 -13.389 1062 HA2 GLY 138 2HA GLY 138 -5.928 2.339 -14.465 1063 HA3 GLY 138 1HA GLY 138 -7.191 3.009 -13.436 1064 H LEU 139 HN LEU 139 -4.261 1.477 -12.314 1065 HA LEU 139 HA LEU 139 -3.261 4.075 -11.361 1066 HB2 LEU 139 2HB LEU 139 -3.254 1.431 -9.888 1067 HB3 LEU 139 1HB LEU 139 -2.480 2.908 -9.316 1068 HG LEU 139 HG LEU 139 -5.436 2.644 -9.951 1069 HD11 LEU 139 1HD1 LEU 139 -3.989 2.681 -7.291 1070 HD12 LEU 139 2HD1 LEU 139 -4.829 1.300 -7.992 1071 HD13 LEU 139 3HD1 LEU 139 -5.739 2.726 -7.495 1072 HD21 LEU 139 1HD2 LEU 139 -5.149 4.791 -8.291 1073 HD22 LEU 139 2HD2 LEU 139 -5.194 4.912 -10.050 1074 HD23 LEU 139 3HD2 LEU 139 -3.646 4.889 -9.207 1075 H SER 140 HN SER 140 -2.662 2.437 -13.753 1076 HA SER 140 HA SER 140 0.079 1.523 -13.209 1077 HB2 SER 140 2HB SER 140 -0.013 0.672 -15.541 1078 HB3 SER 140 1HB SER 140 -1.307 0.028 -14.532 1079 HG SER 140 HG SER 140 -1.436 2.143 -16.422 1080 H THR 141 HN THR 141 -1.627 4.193 -14.608 1081 HA THR 141 HA THR 141 0.899 5.231 -15.757 1082 HB THR 141 HB THR 141 -0.616 6.780 -17.028 1083 HG1 THR 141 1HG THR 141 -2.381 5.742 -15.369 1084 HG21 THR 141 1HG2 THR 141 -1.162 3.831 -17.463 1085 HG22 THR 141 2HG2 THR 141 0.316 4.652 -17.968 1086 HG23 THR 141 3HG2 THR 141 -1.233 5.108 -18.678 1087 H GLU 142 HN GLU 142 0.505 5.379 -12.996 1088 HA GLU 142 HA GLU 142 -0.186 8.212 -12.555 1089 HB2 GLU 142 2HB GLU 142 -0.040 7.092 -10.036 1090 HB3 GLU 142 1HB GLU 142 -1.498 7.290 -10.980 1091 HG2 GLU 142 2HG GLU 142 -1.237 4.977 -10.163 1092 HG3 GLU 142 1HG GLU 142 -1.239 5.069 -11.919 1093 H SER 143 HN SER 143 1.501 7.345 -9.853 1094 HA SER 143 HA SER 143 3.953 8.528 -10.947 1095 HB2 SER 143 2HB SER 143 4.304 9.585 -8.953 1096 HB3 SER 143 1HB SER 143 2.547 9.500 -8.954 1097 HG SER 143 HG SER 143 2.634 7.777 -7.590 1098 H ILE 144 HN ILE 144 2.809 5.525 -9.887 1099 HA ILE 144 HA ILE 144 3.949 3.842 -8.652 1100 HB ILE 144 HB ILE 144 3.454 3.621 -11.159 1101 HG12 ILE 144 2HG1 ILE 144 3.584 1.760 -9.614 1102 HG13 ILE 144 1HG1 ILE 144 4.377 1.338 -11.130 1103 HG21 ILE 144 1HG2 ILE 144 6.445 3.322 -11.325 1104 HG22 ILE 144 2HG2 ILE 144 5.625 4.819 -11.770 1105 HG23 ILE 144 3HG2 ILE 144 5.269 3.327 -12.637 1106 HD11 ILE 144 1HD1 ILE 144 5.599 1.919 -8.454 1107 HD12 ILE 144 2HD1 ILE 144 6.541 2.209 -9.914 1108 HD13 ILE 144 3HD1 ILE 144 5.934 0.600 -9.569 1109 H LEU 145 HN LEU 145 5.416 3.771 -7.202 1110 HA LEU 145 HA LEU 145 8.155 4.547 -7.952 1111 HB2 LEU 145 2HB LEU 145 7.251 6.289 -6.523 1112 HB3 LEU 145 1HB LEU 145 6.732 5.093 -5.339 1113 HG LEU 145 HG LEU 145 9.084 4.478 -4.905 1114 HD11 LEU 145 1HD1 LEU 145 10.419 4.827 -6.742 1115 HD12 LEU 145 2HD1 LEU 145 10.697 6.373 -5.945 1116 HD13 LEU 145 3HD1 LEU 145 9.523 6.259 -7.252 1117 HD21 LEU 145 1HD2 LEU 145 9.327 6.189 -3.443 1118 HD22 LEU 145 2HD2 LEU 145 7.798 6.772 -4.104 1119 HD23 LEU 145 3HD2 LEU 145 9.324 7.403 -4.722 1120 H ILE 146 HN ILE 146 9.769 3.267 -7.283 1121 HA ILE 146 HA ILE 146 9.064 0.768 -5.874 1122 HB ILE 146 HB ILE 146 11.379 1.264 -7.762 1123 HG12 ILE 146 2HG1 ILE 146 8.818 -0.291 -8.239 1124 HG13 ILE 146 1HG1 ILE 146 9.117 1.335 -8.853 1125 HG21 ILE 146 1HG2 ILE 146 10.750 -0.849 -5.879 1126 HG22 ILE 146 2HG2 ILE 146 12.178 -0.659 -6.893 1127 HG23 ILE 146 3HG2 ILE 146 10.757 -1.487 -7.525 1128 HD11 ILE 146 1HD1 ILE 146 9.648 -0.376 -10.558 1129 HD12 ILE 146 2HD1 ILE 146 10.815 -1.105 -9.456 1130 HD13 ILE 146 3HD1 ILE 146 11.088 0.522 -10.082 1131 HA PRO 147 HA PRO 147 11.908 3.197 -3.161 1132 HB2 PRO 147 2HB PRO 147 10.788 2.529 -0.774 1133 HB3 PRO 147 1HB PRO 147 10.167 3.836 -1.801 1134 HG2 PRO 147 2HG PRO 147 9.163 1.068 -1.441 1135 HG3 PRO 147 1HG PRO 147 8.260 2.578 -1.648 1136 HD2 PRO 147 2HD PRO 147 8.687 0.743 -3.657 1137 HD3 PRO 147 1HD PRO 147 8.360 2.465 -3.947 1138 H ARG 148 HN ARG 148 13.799 2.195 -3.139 1139 HA ARG 148 HA ARG 148 14.404 -0.473 -2.946 1140 HB2 ARG 148 2HB ARG 148 16.637 0.163 -2.388 1141 HB3 ARG 148 1HB ARG 148 15.997 1.447 -3.415 1142 HG2 ARG 148 2HG ARG 148 15.236 2.430 -1.041 1143 HG3 ARG 148 1HG ARG 148 16.626 1.489 -0.500 1144 HD2 ARG 148 2HD ARG 148 17.635 3.519 -1.031 1145 HD3 ARG 148 1HD ARG 148 17.832 2.629 -2.538 1146 HE ARG 148 HE ARG 148 16.274 4.058 -3.541 1147 HH11 ARG 148 1HH1 ARG 148 15.029 5.957 -3.553 1148 HH12 ARG 148 2HH1 ARG 148 14.674 6.761 -2.061 1149 HH21 ARG 148 1HH2 ARG 148 16.395 4.473 -0.108 1150 HH22 ARG 148 2HH2 ARG 148 15.446 5.921 -0.111 1151 H GLN 149 HN GLN 149 15.747 -1.421 -1.031 1152 HA GLN 149 HA GLN 149 13.968 -1.381 1.296 1153 HB2 GLN 149 2HB GLN 149 16.326 -3.213 1.045 1154 HB3 GLN 149 1HB GLN 149 14.756 -3.502 1.799 1155 HG2 GLN 149 2HG GLN 149 15.351 -3.332 -1.167 1156 HG3 GLN 149 1HG GLN 149 14.835 -4.757 -0.269 1157 HE21 GLN 149 1HE2 GLN 149 13.416 -3.448 -2.546 1158 HE22 GLN 149 2HE2 GLN 149 11.893 -3.002 -1.943 1159 H SER 150 HN SER 150 14.435 -0.096 2.944 1160 HA SER 150 HA SER 150 17.277 0.455 3.569 1161 HB2 SER 150 2HB SER 150 15.918 2.416 2.693 1162 HB3 SER 150 1HB SER 150 14.960 2.298 4.166 1163 HG SER 150 HG SER 150 16.657 2.920 5.337 1164 H GLU 151 HN GLU 151 17.626 -1.015 5.162 1165 HA GLU 151 HA GLU 151 16.157 -2.222 6.994 1166 HB2 GLU 151 2HB GLU 151 18.742 -0.782 7.609 1167 HB3 GLU 151 1HB GLU 151 18.025 -2.038 8.619 1168 HG2 GLU 151 2HG GLU 151 18.049 -3.528 6.544 1169 HG3 GLU 151 1HG GLU 151 19.072 -2.304 5.794 1170 H THR 152 HN THR 152 16.876 1.227 7.121 1171 HA THR 152 HA THR 152 14.655 1.623 8.940 1172 HB THR 152 HB THR 152 16.446 1.145 10.532 1173 HG1 THR 152 1HG THR 152 16.085 2.906 11.716 1174 HG21 THR 152 1HG2 THR 152 18.096 3.469 9.981 1175 HG22 THR 152 2HG2 THR 152 18.064 2.371 8.601 1176 HG23 THR 152 3HG2 THR 152 18.577 1.783 10.184 1177 H CYS 153 HN CYS 153 14.273 3.971 9.318 1178 HA CYS 153 HA CYS 153 15.092 5.514 6.937 1179 HB2 CYS 153 2HB CYS 153 13.059 6.754 7.166 1180 HB3 CYS 153 1HB CYS 153 12.635 5.051 7.328 1181 H SER 154 HN SER 154 16.425 7.184 7.212 1182 HA SER 154 HA SER 154 16.273 9.073 9.265 1183 HB2 SER 154 2HB SER 154 17.598 6.669 10.079 1184 HB3 SER 154 1HB SER 154 18.785 7.968 9.989 1185 HG SER 154 HG SER 154 16.422 7.777 11.513 1186 HA PRO 155 HA PRO 155 20.478 9.423 6.787 1187 HB2 PRO 155 2HB PRO 155 19.793 7.641 4.510 1188 HB3 PRO 155 1HB PRO 155 21.343 7.859 5.346 1189 HG2 PRO 155 2HG PRO 155 19.859 5.675 5.703 1190 HG3 PRO 155 1HG PRO 155 20.797 6.392 7.023 1191 HD2 PRO 155 2HD PRO 155 17.850 6.511 6.525 1192 HD3 PRO 155 1HD PRO 155 18.730 6.427 8.065 1193 H GLY 156 HN GLY 156 20.839 10.554 4.644 1194 HA2 GLY 156 2HA GLY 156 19.913 11.563 2.662 1195 HA3 GLY 156 1HA GLY 156 18.320 11.463 3.403 1196 H SER 157 HN SER 157 18.703 13.835 2.477 1197 HA SER 157 HA SER 157 19.918 15.523 4.561 1198 HB2 SER 157 2HB SER 157 20.688 16.052 2.342 1199 HB3 SER 157 1HB SER 157 19.036 16.120 1.731 1200 HG SER 157 HG SER 157 19.791 18.202 2.173 1201 H ASP 158 HN ASP 158 17.681 17.159 2.666 1202 HA ASP 158 HA ASP 158 15.731 18.253 3.211 1203 HB2 ASP 158 2HB ASP 158 14.846 15.745 4.603 1204 HB3 ASP 158 1HB ASP 158 13.905 16.854 3.608 Start of MODEL 11 1 H1 HIS 1 1HT HIS 1 -9.531 -23.678 -7.184 2 H2 HIS 1 2HT HIS 1 -11.223 -23.806 -7.268 3 H3 HIS 1 3HT HIS 1 -10.504 -22.703 -6.193 4 HA HIS 1 HA HIS 1 -9.466 -21.994 -8.607 5 HB2 HIS 1 2HB HIS 1 -11.782 -23.524 -9.096 6 HB3 HIS 1 1HB HIS 1 -12.273 -21.842 -9.296 7 HD1 HIS 1 1HD HIS 1 -10.624 -20.379 -10.916 8 HD2 HIS 1 2HD HIS 1 -10.361 -24.526 -11.257 9 HE1 HIS 1 1HE HIS 1 -9.467 -20.845 -13.119 10 H HIS 2 HN HIS 2 -9.752 -19.763 -8.867 11 HA HIS 2 HA HIS 2 -10.092 -17.623 -8.093 12 HB2 HIS 2 2HB HIS 2 -12.787 -18.918 -7.767 13 HB3 HIS 2 1HB HIS 2 -12.527 -17.236 -7.305 14 HD1 HIS 2 1HD HIS 2 -12.843 -19.471 -10.264 15 HD2 HIS 2 2HD HIS 2 -11.834 -15.496 -9.510 16 HE1 HIS 2 1HE HIS 2 -12.897 -18.282 -12.499 17 H LEU 3 HN LEU 3 -8.540 -18.027 -6.367 18 HA LEU 3 HA LEU 3 -9.808 -18.166 -3.695 19 HB2 LEU 3 2HB LEU 3 -7.462 -18.880 -2.959 20 HB3 LEU 3 1HB LEU 3 -8.400 -20.060 -3.876 21 HG LEU 3 HG LEU 3 -6.784 -18.215 -5.524 22 HD11 LEU 3 1HD1 LEU 3 -4.706 -19.599 -5.064 23 HD12 LEU 3 2HD1 LEU 3 -5.526 -20.215 -3.628 24 HD13 LEU 3 3HD1 LEU 3 -5.164 -18.495 -3.767 25 HD21 LEU 3 1HD2 LEU 3 -8.093 -20.205 -6.342 26 HD22 LEU 3 2HD2 LEU 3 -6.985 -21.242 -5.445 27 HD23 LEU 3 3HD2 LEU 3 -6.386 -20.256 -6.778 28 H LEU 4 HN LEU 4 -10.164 -15.876 -3.688 29 HA LEU 4 HA LEU 4 -8.044 -14.002 -4.076 30 HB2 LEU 4 2HB LEU 4 -10.808 -13.906 -3.872 31 HB3 LEU 4 1HB LEU 4 -10.274 -13.134 -2.385 32 HG LEU 4 HG LEU 4 -9.272 -12.374 -5.147 33 HD11 LEU 4 1HD1 LEU 4 -11.612 -11.496 -3.523 34 HD12 LEU 4 2HD1 LEU 4 -11.418 -11.561 -5.275 35 HD13 LEU 4 3HD1 LEU 4 -10.692 -10.242 -4.356 36 HD21 LEU 4 1HD2 LEU 4 -8.398 -10.402 -3.966 37 HD22 LEU 4 2HD2 LEU 4 -7.739 -11.870 -3.258 38 HD23 LEU 4 3HD2 LEU 4 -9.037 -11.008 -2.444 39 H ALA 5 HN ALA 5 -7.923 -16.265 -1.981 40 HA ALA 5 HA ALA 5 -6.130 -16.014 -0.270 41 HB1 ALA 5 1HB ALA 5 -6.642 -14.562 1.670 42 HB2 ALA 5 2HB ALA 5 -8.038 -13.928 0.809 43 HB3 ALA 5 3HB ALA 5 -6.409 -13.630 0.193 44 H SER 6 HN SER 6 -6.287 -17.812 0.856 45 HA SER 6 HA SER 6 -8.760 -19.103 1.362 46 HB2 SER 6 2HB SER 6 -7.213 -20.742 1.348 47 HB3 SER 6 1HB SER 6 -5.913 -19.625 1.758 48 HG SER 6 HG SER 6 -6.174 -20.985 3.488 49 H ASP 7 HN ASP 7 -10.138 -18.884 3.003 50 HA ASP 7 HA ASP 7 -9.973 -16.908 4.951 51 HB2 ASP 7 2HB ASP 7 -11.629 -18.605 6.181 52 HB3 ASP 7 1HB ASP 7 -12.123 -17.678 4.766 53 H GLU 8 HN GLU 8 -9.571 -20.417 5.506 54 HA GLU 8 HA GLU 8 -8.769 -20.410 8.122 55 HB2 GLU 8 2HB GLU 8 -8.219 -22.151 5.791 56 HB3 GLU 8 1HB GLU 8 -7.123 -22.328 7.163 57 HG2 GLU 8 2HG GLU 8 -9.155 -23.823 7.261 58 HG3 GLU 8 1HG GLU 8 -8.956 -22.775 8.663 59 H GLU 9 HN GLU 9 -6.511 -20.269 5.355 60 HA GLU 9 HA GLU 9 -4.792 -18.432 6.830 61 HB2 GLU 9 2HB GLU 9 -3.931 -21.220 6.033 62 HB3 GLU 9 1HB GLU 9 -2.785 -19.921 6.368 63 HG2 GLU 9 2HG GLU 9 -3.899 -19.635 8.619 64 HG3 GLU 9 1HG GLU 9 -4.827 -21.095 8.275 65 H ILE 10 HN ILE 10 -2.599 -18.376 5.294 66 HA ILE 10 HA ILE 10 -3.560 -18.052 2.518 67 HB ILE 10 HB ILE 10 -1.567 -16.166 3.747 68 HG12 ILE 10 2HG1 ILE 10 -4.594 -15.967 3.812 69 HG13 ILE 10 1HG1 ILE 10 -3.504 -15.989 5.199 70 HG21 ILE 10 1HG2 ILE 10 -3.614 -15.683 1.583 71 HG22 ILE 10 2HG2 ILE 10 -2.054 -16.427 1.228 72 HG23 ILE 10 3HG2 ILE 10 -2.122 -14.796 1.896 73 HD11 ILE 10 1HD1 ILE 10 -3.824 -13.815 3.118 74 HD12 ILE 10 2HD1 ILE 10 -2.425 -13.891 4.192 75 HD13 ILE 10 3HD1 ILE 10 -4.042 -13.690 4.865 76 H GLN 11 HN GLN 11 -2.345 -20.353 3.194 77 HA GLN 11 HA GLN 11 -0.603 -21.737 2.622 78 HB2 GLN 11 2HB GLN 11 0.503 -19.450 0.992 79 HB3 GLN 11 1HB GLN 11 0.690 -21.181 0.712 80 HG2 GLN 11 2HG GLN 11 -2.057 -20.863 0.742 81 HG3 GLN 11 1HG GLN 11 -1.504 -19.392 -0.059 82 HE21 GLN 11 1HE2 GLN 11 0.769 -20.361 -1.439 83 HE22 GLN 11 2HE2 GLN 11 0.272 -21.511 -2.584 84 H ASP 12 HN ASP 12 1.070 -18.603 2.497 85 HA ASP 12 HA ASP 12 2.825 -19.534 4.692 86 HB2 ASP 12 2HB ASP 12 4.417 -17.775 3.659 87 HB3 ASP 12 1HB ASP 12 4.214 -19.306 2.809 88 H VAL 13 HN VAL 13 3.122 -16.317 3.565 89 HA VAL 13 HA VAL 13 2.893 -14.314 4.674 90 HB VAL 13 HB VAL 13 0.166 -15.516 5.189 91 HG11 VAL 13 1HG1 VAL 13 -0.053 -12.762 4.892 92 HG12 VAL 13 2HG1 VAL 13 1.397 -12.952 5.878 93 HG13 VAL 13 3HG1 VAL 13 -0.134 -13.641 6.419 94 HG21 VAL 13 1HG2 VAL 13 -0.330 -13.969 3.164 95 HG22 VAL 13 2HG2 VAL 13 0.490 -15.497 2.844 96 HG23 VAL 13 3HG2 VAL 13 1.411 -13.993 2.897 97 H SER 14 HN SER 14 4.236 -14.221 6.362 98 HA SER 14 HA SER 14 3.452 -13.949 8.947 99 HB2 SER 14 2HB SER 14 4.495 -16.314 9.735 100 HB3 SER 14 1HB SER 14 2.769 -16.054 9.493 101 HG SER 14 HG SER 14 2.881 -17.056 7.570 102 H GLY 15 HN GLY 15 5.109 -12.411 8.651 103 HA2 GLY 15 2HA GLY 15 7.457 -12.594 9.851 104 HA3 GLY 15 1HA GLY 15 7.852 -13.380 8.326 105 H THR 16 HN THR 16 9.383 -11.665 7.975 106 HA THR 16 HA THR 16 8.317 -8.995 7.507 107 HB THR 16 HB THR 16 11.145 -10.044 7.331 108 HG1 THR 16 1HG THR 16 10.545 -10.014 9.429 109 HG21 THR 16 1HG2 THR 16 9.869 -7.408 6.764 110 HG22 THR 16 2HG2 THR 16 11.286 -8.155 6.025 111 HG23 THR 16 3HG2 THR 16 11.416 -7.394 7.610 112 H TRP 17 HN TRP 17 8.593 -7.866 5.555 113 HA TRP 17 HA TRP 17 9.207 -9.437 3.152 114 HB2 TRP 17 2HB TRP 17 6.616 -7.969 3.676 115 HB3 TRP 17 1HB TRP 17 7.151 -8.429 2.063 116 HD1 TRP 17 1HD TRP 17 6.406 -10.095 5.478 117 HE1 TRP 17 1HE TRP 17 5.529 -12.477 5.025 118 HE3 TRP 17 3HE TRP 17 6.873 -10.254 0.402 119 HZ2 TRP 17 2HZ TRP 17 5.074 -14.216 2.796 120 HZ3 TRP 17 3HZ TRP 17 6.196 -12.274 -0.868 121 HH2 TRP 17 2HH TRP 17 5.303 -14.257 0.325 122 H TYR 18 HN TYR 18 8.839 -7.748 1.187 123 HA TYR 18 HA TYR 18 9.912 -5.125 2.009 124 HB2 TYR 18 2HB TYR 18 10.991 -6.863 -0.227 125 HB3 TYR 18 1HB TYR 18 11.472 -5.198 0.082 126 HD1 TYR 18 1HD TYR 18 11.184 -8.512 1.813 127 HD2 TYR 18 2HD TYR 18 13.267 -4.766 1.523 128 HE1 TYR 18 1HE TYR 18 12.828 -9.296 3.495 129 HE2 TYR 18 2HE TYR 18 14.915 -5.555 3.201 130 HH TYR 18 HH TYR 18 14.584 -8.752 4.740 131 H LEU 19 HN LEU 19 9.558 -3.467 0.328 132 HA LEU 19 HA LEU 19 7.149 -4.069 -1.272 133 HB2 LEU 19 2HB LEU 19 7.472 -2.150 0.631 134 HB3 LEU 19 1HB LEU 19 7.970 -1.259 -0.806 135 HG LEU 19 HG LEU 19 5.784 -2.293 -1.846 136 HD11 LEU 19 1HD1 LEU 19 4.047 -2.800 -0.293 137 HD12 LEU 19 2HD1 LEU 19 4.977 -2.172 1.067 138 HD13 LEU 19 3HD1 LEU 19 5.454 -3.686 0.298 139 HD21 LEU 19 1HD2 LEU 19 4.518 -0.323 -1.015 140 HD22 LEU 19 2HD2 LEU 19 6.164 0.105 -1.488 141 HD23 LEU 19 3HD2 LEU 19 5.754 -0.071 0.217 142 H LYS 20 HN LYS 20 7.420 -4.129 -3.397 143 HA LYS 20 HA LYS 20 9.933 -3.094 -4.532 144 HB2 LYS 20 2HB LYS 20 8.043 -4.900 -5.987 145 HB3 LYS 20 1HB LYS 20 9.783 -4.734 -6.174 146 HG2 LYS 20 2HG LYS 20 10.157 -5.806 -4.000 147 HG3 LYS 20 1HG LYS 20 8.422 -5.906 -3.717 148 HD2 LYS 20 2HD LYS 20 8.887 -8.037 -4.534 149 HD3 LYS 20 1HD LYS 20 8.369 -7.195 -5.991 150 HE2 LYS 20 2HE LYS 20 11.074 -6.655 -5.940 151 HE3 LYS 20 1HE LYS 20 11.001 -8.292 -5.299 152 HZ1 LYS 20 1HZ LYS 20 10.912 -7.627 -7.921 153 HZ2 LYS 20 2HZ LYS 20 9.274 -7.882 -7.550 154 HZ3 LYS 20 3HZ LYS 20 10.412 -9.110 -7.267 155 H ALA 21 HN ALA 21 6.682 -2.322 -4.290 156 HA ALA 21 HA ALA 21 6.925 -0.159 -6.137 157 HB1 ALA 21 1HB ALA 21 5.918 -0.928 -7.994 158 HB2 ALA 21 2HB ALA 21 4.697 -1.806 -7.072 159 HB3 ALA 21 3HB ALA 21 6.278 -2.535 -7.361 160 H MET 22 HN MET 22 5.460 1.397 -5.763 161 HA MET 22 HA MET 22 3.129 0.729 -4.105 162 HB2 MET 22 2HB MET 22 4.572 1.517 -2.438 163 HB3 MET 22 1HB MET 22 5.268 2.745 -3.487 164 HG2 MET 22 2HG MET 22 3.474 4.184 -3.221 165 HG3 MET 22 1HG MET 22 2.329 2.878 -2.909 166 HE1 MET 22 1HE MET 22 3.429 5.849 -1.289 167 HE2 MET 22 2HE MET 22 2.630 5.387 0.211 168 HE3 MET 22 3HE MET 22 1.821 5.111 -1.330 169 H THR 23 HN THR 23 1.527 1.178 -5.393 170 HA THR 23 HA THR 23 1.552 3.330 -7.314 171 HB THR 23 HB THR 23 -0.321 1.155 -6.539 172 HG1 THR 23 1HG THR 23 -0.327 1.249 -8.987 173 HG21 THR 23 1HG2 THR 23 -1.968 2.229 -8.165 174 HG22 THR 23 2HG2 THR 23 -1.097 3.731 -7.878 175 HG23 THR 23 3HG2 THR 23 -1.896 2.902 -6.544 176 H VAL 24 HN VAL 24 0.899 5.353 -7.043 177 HA VAL 24 HA VAL 24 -0.879 5.916 -4.727 178 HB VAL 24 HB VAL 24 1.356 7.809 -5.336 179 HG11 VAL 24 1HG1 VAL 24 -0.740 7.998 -3.672 180 HG12 VAL 24 2HG1 VAL 24 0.837 8.673 -3.263 181 HG13 VAL 24 3HG1 VAL 24 0.355 7.104 -2.615 182 HG21 VAL 24 1HG2 VAL 24 2.622 6.558 -3.504 183 HG22 VAL 24 2HG2 VAL 24 2.553 5.745 -5.069 184 HG23 VAL 24 3HG2 VAL 24 1.489 5.232 -3.758 185 H ASP 25 HN ASP 25 -2.670 6.618 -5.618 186 HA ASP 25 HA ASP 25 -4.023 7.558 -7.326 187 HB2 ASP 25 2HB ASP 25 -2.830 9.557 -5.463 188 HB3 ASP 25 1HB ASP 25 -3.840 10.143 -6.784 189 H ARG 26 HN ARG 26 -1.566 10.084 -7.199 190 HA ARG 26 HA ARG 26 -0.264 9.650 -9.624 191 HB2 ARG 26 2HB ARG 26 -1.438 11.443 -11.009 192 HB3 ARG 26 1HB ARG 26 -2.286 9.907 -10.859 193 HG2 ARG 26 2HG ARG 26 -3.043 11.545 -8.643 194 HG3 ARG 26 1HG ARG 26 -3.199 12.509 -10.110 195 HD2 ARG 26 2HD ARG 26 -4.578 10.787 -11.144 196 HD3 ARG 26 1HD ARG 26 -4.349 9.729 -9.756 197 HE ARG 26 HE ARG 26 -5.483 12.257 -9.008 198 HH11 ARG 26 1HH1 ARG 26 -7.661 12.232 -8.362 199 HH12 ARG 26 2HH1 ARG 26 -8.655 10.864 -8.741 200 HH21 ARG 26 1HH2 ARG 26 -6.124 9.138 -10.365 201 HH22 ARG 26 2HH2 ARG 26 -7.786 9.114 -9.875 202 H GLU 27 HN GLU 27 -1.618 11.933 -7.339 203 HA GLU 27 HA GLU 27 0.895 13.476 -7.478 204 HB2 GLU 27 2HB GLU 27 -1.028 14.628 -8.690 205 HB3 GLU 27 1HB GLU 27 -1.805 14.778 -7.114 206 HG2 GLU 27 2HG GLU 27 0.581 15.744 -6.429 207 HG3 GLU 27 1HG GLU 27 0.657 16.120 -8.149 208 H PHE 28 HN PHE 28 -2.117 13.821 -5.589 209 HA PHE 28 HA PHE 28 -2.534 13.658 -3.357 210 HB2 PHE 28 2HB PHE 28 -0.616 11.629 -3.799 211 HB3 PHE 28 1HB PHE 28 -0.093 12.501 -2.360 212 HD1 PHE 28 1HD PHE 28 -3.300 11.289 -3.894 213 HD2 PHE 28 2HD PHE 28 -0.955 11.752 -0.325 214 HE1 PHE 28 1HE PHE 28 -5.070 10.151 -2.582 215 HE2 PHE 28 2HE PHE 28 -2.725 10.614 0.986 216 HZ PHE 28 HZ PHE 28 -4.781 9.814 -0.143 217 HA PRO 29 HA PRO 29 -1.052 17.453 -1.617 218 HB2 PRO 29 2HB PRO 29 -0.525 15.657 0.754 219 HB3 PRO 29 1HB PRO 29 -1.171 17.311 0.733 220 HG2 PRO 29 2HG PRO 29 -2.777 15.212 0.920 221 HG3 PRO 29 1HG PRO 29 -3.228 16.629 -0.046 222 HD2 PRO 29 2HD PRO 29 -2.493 13.919 -0.965 223 HD3 PRO 29 1HD PRO 29 -3.365 15.203 -1.829 224 H GLU 30 HN GLU 30 1.074 16.153 0.649 225 HA GLU 30 HA GLU 30 3.399 16.614 -1.118 226 HB2 GLU 30 2HB GLU 30 2.658 18.011 1.190 227 HB3 GLU 30 1HB GLU 30 3.952 16.932 1.711 228 HG2 GLU 30 2HG GLU 30 5.288 17.721 -0.285 229 HG3 GLU 30 1HG GLU 30 4.040 18.937 -0.555 230 H MET 31 HN MET 31 1.817 14.136 -0.188 231 HA MET 31 HA MET 31 3.688 12.659 1.428 232 HB2 MET 31 2HB MET 31 1.373 11.643 -0.233 233 HB3 MET 31 1HB MET 31 2.205 10.769 1.054 234 HG2 MET 31 2HG MET 31 1.550 12.678 2.608 235 HG3 MET 31 1HG MET 31 0.498 13.254 1.315 236 HE1 MET 31 1HE MET 31 0.096 9.668 4.052 237 HE2 MET 31 2HE MET 31 0.339 11.340 4.547 238 HE3 MET 31 3HE MET 31 1.574 10.524 3.589 239 H ASN 32 HN ASN 32 5.624 12.938 0.169 240 HA ASN 32 HA ASN 32 5.687 11.393 -2.348 241 HB2 ASN 32 2HB ASN 32 7.729 13.355 -1.291 242 HB3 ASN 32 1HB ASN 32 7.706 12.612 -2.888 243 HD21 ASN 32 1HD2 ASN 32 4.776 12.876 -3.230 244 HD22 ASN 32 2HD2 ASN 32 4.477 14.527 -3.475 245 H LEU 33 HN LEU 33 5.783 9.346 -1.245 246 HA LEU 33 HA LEU 33 7.492 8.589 0.759 247 HB2 LEU 33 2HB LEU 33 5.713 7.286 -0.751 248 HB3 LEU 33 1HB LEU 33 7.178 6.742 -1.561 249 HG LEU 33 HG LEU 33 6.767 6.557 1.436 250 HD11 LEU 33 1HD1 LEU 33 5.105 5.144 0.499 251 HD12 LEU 33 2HD1 LEU 33 6.458 4.084 0.885 252 HD13 LEU 33 3HD1 LEU 33 6.188 4.595 -0.780 253 HD21 LEU 33 1HD2 LEU 33 8.820 5.499 -0.514 254 HD22 LEU 33 2HD2 LEU 33 8.582 4.776 1.073 255 HD23 LEU 33 3HD2 LEU 33 9.084 6.459 0.941 256 H GLU 34 HN GLU 34 9.604 8.920 0.931 257 HA GLU 34 HA GLU 34 11.257 9.055 -1.480 258 HB2 GLU 34 2HB GLU 34 11.562 9.893 1.363 259 HB3 GLU 34 1HB GLU 34 13.026 9.534 0.443 260 HG2 GLU 34 2HG GLU 34 12.403 11.133 -1.274 261 HG3 GLU 34 1HG GLU 34 10.845 11.414 -0.498 262 H SER 35 HN SER 35 10.783 7.036 1.364 263 HA SER 35 HA SER 35 12.117 4.830 0.076 264 HB2 SER 35 2HB SER 35 13.552 4.736 2.395 265 HB3 SER 35 1HB SER 35 14.175 5.346 0.865 266 HG SER 35 HG SER 35 13.668 6.658 3.165 267 H VAL 36 HN VAL 36 11.978 2.845 1.402 268 HA VAL 36 HA VAL 36 10.006 3.032 3.560 269 HB VAL 36 HB VAL 36 9.017 2.455 1.250 270 HG11 VAL 36 1HG1 VAL 36 9.258 0.218 0.490 271 HG12 VAL 36 2HG1 VAL 36 10.046 -0.290 1.981 272 HG13 VAL 36 3HG1 VAL 36 10.897 0.755 0.846 273 HG21 VAL 36 1HG2 VAL 36 7.460 0.863 2.322 274 HG22 VAL 36 2HG2 VAL 36 7.824 2.213 3.390 275 HG23 VAL 36 3HG2 VAL 36 8.596 0.649 3.651 276 H THR 37 HN THR 37 9.962 1.253 4.995 277 HA THR 37 HA THR 37 12.547 -0.160 5.102 278 HB THR 37 HB THR 37 12.153 -0.342 7.491 279 HG1 THR 37 1HG THR 37 9.644 0.797 6.859 280 HG21 THR 37 1HG2 THR 37 12.300 1.942 8.096 281 HG22 THR 37 2HG2 THR 37 11.300 2.445 6.736 282 HG23 THR 37 3HG2 THR 37 12.938 1.866 6.457 283 HA PRO 38 HA PRO 38 10.839 -4.208 4.335 284 HB2 PRO 38 2HB PRO 38 11.762 -4.801 7.133 285 HB3 PRO 38 1HB PRO 38 11.967 -5.765 5.657 286 HG2 PRO 38 2HG PRO 38 13.944 -4.268 6.666 287 HG3 PRO 38 1HG PRO 38 13.735 -4.513 4.926 288 HD2 PRO 38 2HD PRO 38 13.316 -2.068 6.508 289 HD3 PRO 38 1HD PRO 38 13.525 -2.250 4.754 290 H MET 39 HN MET 39 8.748 -4.928 4.567 291 HA MET 39 HA MET 39 7.139 -3.721 6.661 292 HB2 MET 39 2HB MET 39 6.227 -3.625 4.434 293 HB3 MET 39 1HB MET 39 6.437 -5.364 4.225 294 HG2 MET 39 2HG MET 39 4.580 -5.863 5.436 295 HG3 MET 39 1HG MET 39 4.870 -4.575 6.602 296 HE1 MET 39 1HE MET 39 3.988 -3.871 2.352 297 HE2 MET 39 2HE MET 39 2.701 -4.968 2.842 298 HE3 MET 39 3HE MET 39 4.380 -5.411 3.128 299 H THR 40 HN THR 40 6.138 -4.785 8.275 300 HA THR 40 HA THR 40 6.897 -7.600 8.631 301 HB THR 40 HB THR 40 5.882 -5.776 10.796 302 HG1 THR 40 1HG THR 40 7.650 -4.705 10.337 303 HG21 THR 40 1HG2 THR 40 7.195 -7.349 12.207 304 HG22 THR 40 2HG2 THR 40 7.594 -8.275 10.762 305 HG23 THR 40 3HG2 THR 40 5.920 -8.164 11.303 306 H LEU 41 HN LEU 41 5.309 -8.875 7.881 307 HA LEU 41 HA LEU 41 2.505 -8.138 8.440 308 HB2 LEU 41 2HB LEU 41 3.813 -9.942 6.407 309 HB3 LEU 41 1HB LEU 41 2.078 -9.990 6.728 310 HG LEU 41 HG LEU 41 2.977 -7.248 6.426 311 HD11 LEU 41 1HD1 LEU 41 3.513 -7.393 4.014 312 HD12 LEU 41 2HD1 LEU 41 3.561 -9.151 4.152 313 HD13 LEU 41 3HD1 LEU 41 4.728 -8.162 5.031 314 HD21 LEU 41 1HD2 LEU 41 1.132 -7.173 4.890 315 HD22 LEU 41 2HD2 LEU 41 0.661 -8.214 6.229 316 HD23 LEU 41 3HD2 LEU 41 1.150 -8.925 4.690 317 H THR 42 HN THR 42 1.991 -8.925 10.399 318 HA THR 42 HA THR 42 2.877 -11.616 11.139 319 HB THR 42 HB THR 42 2.761 -10.934 13.285 320 HG1 THR 42 1HG THR 42 0.873 -10.507 14.089 321 HG21 THR 42 1HG2 THR 42 2.201 -8.226 12.050 322 HG22 THR 42 2HG2 THR 42 3.794 -8.968 12.172 323 HG23 THR 42 3HG2 THR 42 2.914 -8.524 13.633 324 H THR 43 HN THR 43 1.576 -13.299 11.088 325 HA THR 43 HA THR 43 -1.175 -12.863 10.188 326 HB THR 43 HB THR 43 0.369 -15.458 10.454 327 HG1 THR 43 1HG THR 43 1.308 -14.612 8.755 328 HG21 THR 43 1HG2 THR 43 -2.402 -14.869 10.054 329 HG22 THR 43 2HG2 THR 43 -1.608 -16.443 10.046 330 HG23 THR 43 3HG2 THR 43 -1.754 -15.520 8.548 331 H LEU 44 HN LEU 44 -2.608 -12.548 11.774 332 HA LEU 44 HA LEU 44 -2.143 -13.624 14.407 333 HB2 LEU 44 2HB LEU 44 -4.660 -12.242 13.512 334 HB3 LEU 44 1HB LEU 44 -3.927 -12.272 15.118 335 HG LEU 44 HG LEU 44 -2.801 -10.894 12.658 336 HD11 LEU 44 1HD1 LEU 44 -3.021 -9.126 14.820 337 HD12 LEU 44 2HD1 LEU 44 -4.532 -10.037 14.825 338 HD13 LEU 44 3HD1 LEU 44 -4.034 -9.157 13.380 339 HD21 LEU 44 1HD2 LEU 44 -1.677 -11.454 15.397 340 HD22 LEU 44 2HD2 LEU 44 -1.152 -10.042 14.481 341 HD23 LEU 44 3HD2 LEU 44 -0.905 -11.660 13.825 342 H GLU 45 HN GLU 45 -2.819 -15.443 15.153 343 HA GLU 45 HA GLU 45 -3.721 -17.559 15.227 344 HB2 GLU 45 2HB GLU 45 -6.151 -15.903 14.507 345 HB3 GLU 45 1HB GLU 45 -6.218 -17.582 15.043 346 HG2 GLU 45 2HG GLU 45 -5.175 -16.999 17.161 347 HG3 GLU 45 1HG GLU 45 -4.937 -15.336 16.625 348 H GLY 46 HN GLY 46 -5.872 -16.367 12.707 349 HA2 GLY 46 2HA GLY 46 -4.517 -17.454 10.486 350 HA3 GLY 46 1HA GLY 46 -5.682 -18.637 11.081 351 H GLY 47 HN GLY 47 -6.517 -15.418 11.753 352 HA2 GLY 47 2HA GLY 47 -8.298 -15.314 9.391 353 HA3 GLY 47 1HA GLY 47 -8.893 -14.993 11.013 354 H ASN 48 HN ASN 48 -6.529 -13.461 11.878 355 HA ASN 48 HA ASN 48 -7.025 -11.037 10.246 356 HB2 ASN 48 2HB ASN 48 -5.916 -10.406 12.806 357 HB3 ASN 48 1HB ASN 48 -7.457 -9.917 12.113 358 HD21 ASN 48 1HD2 ASN 48 -8.995 -12.139 12.013 359 HD22 ASN 48 2HD2 ASN 48 -9.122 -12.893 13.528 360 H LEU 49 HN LEU 49 -5.387 -9.719 9.663 361 HA LEU 49 HA LEU 49 -2.634 -10.769 10.090 362 HB2 LEU 49 2HB LEU 49 -4.101 -10.421 7.695 363 HB3 LEU 49 1HB LEU 49 -2.874 -9.155 7.723 364 HG LEU 49 HG LEU 49 -2.263 -12.083 8.226 365 HD11 LEU 49 1HD1 LEU 49 -2.988 -10.930 5.774 366 HD12 LEU 49 2HD1 LEU 49 -2.116 -12.442 6.000 367 HD13 LEU 49 3HD1 LEU 49 -1.226 -10.940 5.755 368 HD21 LEU 49 1HD2 LEU 49 -0.810 -9.808 8.817 369 HD22 LEU 49 2HD2 LEU 49 -0.194 -10.250 7.226 370 HD23 LEU 49 3HD2 LEU 49 -0.118 -11.409 8.551 371 H GLU 50 HN GLU 50 -1.094 -9.313 10.759 372 HA GLU 50 HA GLU 50 -1.935 -6.491 10.990 373 HB2 GLU 50 2HB GLU 50 -1.627 -7.509 13.183 374 HB3 GLU 50 1HB GLU 50 -0.025 -8.074 12.716 375 HG2 GLU 50 2HG GLU 50 0.911 -5.968 12.837 376 HG3 GLU 50 1HG GLU 50 -0.601 -5.160 12.415 377 H ALA 51 HN ALA 51 -0.862 -5.107 9.740 378 HA ALA 51 HA ALA 51 1.779 -5.951 8.733 379 HB1 ALA 51 1HB ALA 51 0.947 -4.078 6.945 380 HB2 ALA 51 2HB ALA 51 -0.579 -4.847 7.391 381 HB3 ALA 51 3HB ALA 51 0.747 -5.821 6.746 382 H LYS 52 HN LYS 52 3.434 -4.829 9.377 383 HA LYS 52 HA LYS 52 3.022 -1.991 10.086 384 HB2 LYS 52 2HB LYS 52 5.160 -3.253 11.595 385 HB3 LYS 52 1HB LYS 52 3.811 -2.269 12.163 386 HG2 LYS 52 2HG LYS 52 2.316 -4.254 11.956 387 HG3 LYS 52 1HG LYS 52 3.710 -5.226 11.488 388 HD2 LYS 52 2HD LYS 52 3.870 -3.645 14.030 389 HD3 LYS 52 1HD LYS 52 2.915 -5.126 14.020 390 HE2 LYS 52 2HE LYS 52 5.765 -5.013 13.009 391 HE3 LYS 52 1HE LYS 52 5.357 -5.408 14.679 392 HZ1 LYS 52 1HZ LYS 52 5.621 -7.335 13.096 393 HZ2 LYS 52 2HZ LYS 52 4.164 -6.840 12.381 394 HZ3 LYS 52 3HZ LYS 52 4.196 -7.311 14.013 395 H VAL 53 HN VAL 53 4.209 -0.675 8.902 396 HA VAL 53 HA VAL 53 6.936 -1.447 8.190 397 HB VAL 53 HB VAL 53 5.481 -2.145 6.295 398 HG11 VAL 53 1HG1 VAL 53 3.735 -0.378 6.776 399 HG12 VAL 53 2HG1 VAL 53 4.182 -0.534 5.077 400 HG13 VAL 53 3HG1 VAL 53 4.824 0.798 6.039 401 HG21 VAL 53 1HG2 VAL 53 7.187 -1.551 4.939 402 HG22 VAL 53 2HG2 VAL 53 7.778 -0.500 6.224 403 HG23 VAL 53 3HG2 VAL 53 6.693 0.140 4.991 404 H THR 54 HN THR 54 8.273 0.327 7.884 405 HA THR 54 HA THR 54 7.123 2.893 8.727 406 HB THR 54 HB THR 54 10.047 2.178 8.704 407 HG1 THR 54 1HG THR 54 9.766 1.609 10.875 408 HG21 THR 54 1HG2 THR 54 9.625 4.537 8.914 409 HG22 THR 54 2HG2 THR 54 10.066 3.937 10.513 410 HG23 THR 54 3HG2 THR 54 8.376 4.261 10.130 411 H MET 55 HN MET 55 7.153 4.595 7.404 412 HA MET 55 HA MET 55 8.665 4.265 4.879 413 HB2 MET 55 2HB MET 55 6.592 6.083 4.437 414 HB3 MET 55 1HB MET 55 6.761 4.464 3.776 415 HG2 MET 55 2HG MET 55 5.537 3.506 5.613 416 HG3 MET 55 1HG MET 55 5.573 5.028 6.498 417 HE1 MET 55 1HE MET 55 3.461 5.152 2.411 418 HE2 MET 55 2HE MET 55 4.765 4.032 2.770 419 HE3 MET 55 3HE MET 55 5.076 5.768 2.764 420 H LEU 56 HN LEU 56 9.503 6.028 3.903 421 HA LEU 56 HA LEU 56 10.048 8.278 5.723 422 HB2 LEU 56 2HB LEU 56 12.052 7.096 4.828 423 HB3 LEU 56 1HB LEU 56 11.511 7.459 3.190 424 HG LEU 56 HG LEU 56 11.624 9.889 3.699 425 HD11 LEU 56 1HD1 LEU 56 11.349 10.230 5.964 426 HD12 LEU 56 2HD1 LEU 56 13.109 10.272 5.891 427 HD13 LEU 56 3HD1 LEU 56 12.283 8.802 6.404 428 HD21 LEU 56 1HD2 LEU 56 14.189 9.917 4.100 429 HD22 LEU 56 2HD2 LEU 56 13.588 9.079 2.670 430 HD23 LEU 56 3HD2 LEU 56 14.064 8.158 4.097 431 H ILE 57 HN ILE 57 8.081 9.308 5.356 432 HA ILE 57 HA ILE 57 7.304 9.974 2.650 433 HB ILE 57 HB ILE 57 6.083 10.534 5.353 434 HG12 ILE 57 2HG1 ILE 57 6.097 8.240 4.012 435 HG13 ILE 57 1HG1 ILE 57 4.660 8.774 4.867 436 HG21 ILE 57 1HG2 ILE 57 5.449 12.413 4.076 437 HG22 ILE 57 2HG2 ILE 57 4.112 11.282 3.867 438 HG23 ILE 57 3HG2 ILE 57 5.322 11.468 2.593 439 HD11 ILE 57 1HD1 ILE 57 3.615 9.518 2.871 440 HD12 ILE 57 2HD1 ILE 57 4.350 7.977 2.438 441 HD13 ILE 57 3HD1 ILE 57 5.131 9.485 1.969 442 H SER 58 HN SER 58 8.155 11.627 1.666 443 HA SER 58 HA SER 58 9.354 13.579 1.308 444 HB2 SER 58 2HB SER 58 7.077 14.361 3.117 445 HB3 SER 58 1HB SER 58 8.175 15.556 2.430 446 HG SER 58 HG SER 58 7.362 15.200 0.497 447 H GLY 59 HN GLY 59 10.872 12.132 3.021 448 HA2 GLY 59 2HA GLY 59 12.735 12.552 4.336 449 HA3 GLY 59 1HA GLY 59 12.181 14.209 4.541 450 H ARG 60 HN ARG 60 9.513 12.707 5.327 451 HA ARG 60 HA ARG 60 10.162 12.679 8.184 452 HB2 ARG 60 2HB ARG 60 7.423 12.444 6.933 453 HB3 ARG 60 1HB ARG 60 7.828 12.930 8.580 454 HG2 ARG 60 2HG ARG 60 8.994 14.932 7.672 455 HG3 ARG 60 1HG ARG 60 8.485 14.466 6.049 456 HD2 ARG 60 2HD ARG 60 6.994 16.178 7.152 457 HD3 ARG 60 1HD ARG 60 6.161 14.719 6.620 458 HE ARG 60 HE ARG 60 5.634 14.322 8.835 459 HH11 ARG 60 1HH1 ARG 60 5.792 14.649 11.075 460 HH12 ARG 60 2HH1 ARG 60 7.055 15.647 11.714 461 HH21 ARG 60 1HH2 ARG 60 8.414 16.371 8.606 462 HH22 ARG 60 2HH2 ARG 60 8.541 16.622 10.315 463 H CYS 61 HN CYS 61 10.326 10.857 9.319 464 HA CYS 61 HA CYS 61 9.764 8.304 8.000 465 HB2 CYS 61 2HB CYS 61 10.886 8.546 10.766 466 HB3 CYS 61 1HB CYS 61 11.209 7.329 9.534 467 H GLN 62 HN GLN 62 7.746 7.566 8.169 468 HA GLN 62 HA GLN 62 6.402 7.884 10.794 469 HB2 GLN 62 2HB GLN 62 4.246 7.806 9.475 470 HB3 GLN 62 1HB GLN 62 5.210 9.271 9.296 471 HG2 GLN 62 2HG GLN 62 5.592 8.881 7.101 472 HG3 GLN 62 1HG GLN 62 5.922 7.171 7.377 473 HE21 GLN 62 1HE2 GLN 62 4.037 5.702 7.501 474 HE22 GLN 62 2HE2 GLN 62 2.561 6.151 6.791 475 H GLU 63 HN GLU 63 5.832 6.152 11.809 476 HA GLU 63 HA GLU 63 6.194 3.527 10.645 477 HB2 GLU 63 2HB GLU 63 6.179 4.679 13.286 478 HB3 GLU 63 1HB GLU 63 5.090 3.294 13.216 479 HG2 GLU 63 2HG GLU 63 7.946 3.259 12.204 480 HG3 GLU 63 1HG GLU 63 7.454 2.679 13.793 481 H VAL 64 HN VAL 64 4.645 2.432 9.668 482 HA VAL 64 HA VAL 64 1.835 3.184 10.190 483 HB VAL 64 HB VAL 64 2.723 1.373 7.966 484 HG11 VAL 64 1HG1 VAL 64 0.704 2.038 6.967 485 HG12 VAL 64 2HG1 VAL 64 0.614 3.522 7.915 486 HG13 VAL 64 3HG1 VAL 64 0.280 1.968 8.677 487 HG21 VAL 64 1HG2 VAL 64 2.692 3.710 6.689 488 HG22 VAL 64 2HG2 VAL 64 4.166 3.108 7.444 489 HG23 VAL 64 3HG2 VAL 64 3.183 4.311 8.271 490 H LYS 65 HN LYS 65 0.317 1.603 10.770 491 HA LYS 65 HA LYS 65 1.122 -1.169 11.079 492 HB2 LYS 65 2HB LYS 65 2.051 -0.231 13.113 493 HB3 LYS 65 1HB LYS 65 0.537 0.589 13.474 494 HG2 LYS 65 2HG LYS 65 0.099 -2.260 13.040 495 HG3 LYS 65 1HG LYS 65 1.307 -1.995 14.288 496 HD2 LYS 65 2HD LYS 65 -0.178 -0.847 15.681 497 HD3 LYS 65 1HD LYS 65 -1.264 -0.425 14.359 498 HE2 LYS 65 2HE LYS 65 -2.026 -2.698 14.156 499 HE3 LYS 65 1HE LYS 65 -0.816 -3.259 15.310 500 HZ1 LYS 65 1HZ LYS 65 -1.963 -2.431 17.065 501 HZ2 LYS 65 2HZ LYS 65 -3.280 -2.714 16.029 502 HZ3 LYS 65 3HZ LYS 65 -2.637 -1.149 16.183 503 H ALA 66 HN ALA 66 -0.574 -1.775 9.798 504 HA ALA 66 HA ALA 66 -3.272 -1.019 10.700 505 HB1 ALA 66 1HB ALA 66 -4.024 -1.287 8.486 506 HB2 ALA 66 2HB ALA 66 -2.594 -2.212 8.023 507 HB3 ALA 66 3HB ALA 66 -2.466 -0.477 8.319 508 H VAL 67 HN VAL 67 -4.912 -2.614 10.563 509 HA VAL 67 HA VAL 67 -3.922 -5.362 10.878 510 HB VAL 67 HB VAL 67 -6.318 -4.313 12.364 511 HG11 VAL 67 1HG1 VAL 67 -5.954 -6.766 12.119 512 HG12 VAL 67 2HG1 VAL 67 -5.832 -6.240 13.798 513 HG13 VAL 67 3HG1 VAL 67 -4.370 -6.583 12.873 514 HG21 VAL 67 1HG2 VAL 67 -4.813 -3.994 14.312 515 HG22 VAL 67 2HG2 VAL 67 -4.393 -2.901 12.994 516 HG23 VAL 67 3HG2 VAL 67 -3.423 -4.346 13.284 517 H LEU 68 HN LEU 68 -4.753 -6.716 9.501 518 HA LEU 68 HA LEU 68 -7.002 -5.924 7.830 519 HB2 LEU 68 2HB LEU 68 -5.275 -8.406 7.735 520 HB3 LEU 68 1HB LEU 68 -6.364 -7.838 6.474 521 HG LEU 68 HG LEU 68 -3.914 -6.358 7.487 522 HD11 LEU 68 1HD1 LEU 68 -4.160 -7.186 4.657 523 HD12 LEU 68 2HD1 LEU 68 -3.984 -8.510 5.803 524 HD13 LEU 68 3HD1 LEU 68 -2.759 -7.245 5.728 525 HD21 LEU 68 1HD2 LEU 68 -4.566 -5.108 5.217 526 HD22 LEU 68 2HD2 LEU 68 -5.265 -4.626 6.761 527 HD23 LEU 68 3HD2 LEU 68 -6.176 -5.661 5.663 528 H GLU 69 HN GLU 69 -8.720 -6.125 9.414 529 HA GLU 69 HA GLU 69 -9.116 -8.619 10.773 530 HB2 GLU 69 2HB GLU 69 -10.941 -6.242 10.320 531 HB3 GLU 69 1HB GLU 69 -11.330 -7.614 11.358 532 HG2 GLU 69 2HG GLU 69 -8.791 -6.020 11.716 533 HG3 GLU 69 1HG GLU 69 -10.300 -5.550 12.498 534 H LYS 70 HN LYS 70 -10.126 -10.379 10.050 535 HA LYS 70 HA LYS 70 -10.871 -10.670 7.333 536 HB2 LYS 70 2HB LYS 70 -10.351 -12.398 9.389 537 HB3 LYS 70 1HB LYS 70 -12.094 -12.561 9.221 538 HG2 LYS 70 2HG LYS 70 -11.822 -12.971 6.797 539 HG3 LYS 70 1HG LYS 70 -10.073 -12.851 6.981 540 HD2 LYS 70 2HD LYS 70 -10.300 -15.137 7.177 541 HD3 LYS 70 1HD LYS 70 -10.522 -14.687 8.869 542 HE2 LYS 70 2HE LYS 70 -12.342 -16.134 8.391 543 HE3 LYS 70 1HE LYS 70 -13.030 -14.511 8.313 544 HZ1 LYS 70 1HZ LYS 70 -11.935 -15.308 5.810 545 HZ2 LYS 70 2HZ LYS 70 -13.505 -14.775 6.177 546 HZ3 LYS 70 3HZ LYS 70 -13.103 -16.417 6.342 547 H THR 71 HN THR 71 -12.786 -10.573 6.294 548 HA THR 71 HA THR 71 -15.141 -9.696 7.858 549 HB THR 71 HB THR 71 -15.936 -8.636 5.808 550 HG1 THR 71 1HG THR 71 -13.706 -9.976 4.769 551 HG21 THR 71 1HG2 THR 71 -13.513 -7.331 5.451 552 HG22 THR 71 2HG2 THR 71 -13.398 -7.964 7.092 553 HG23 THR 71 3HG2 THR 71 -14.741 -6.914 6.645 554 H ASP 72 HN ASP 72 -17.196 -10.203 6.289 555 HA ASP 72 HA ASP 72 -17.416 -13.062 6.338 556 HB2 ASP 72 2HB ASP 72 -19.285 -10.906 5.334 557 HB3 ASP 72 1HB ASP 72 -19.697 -12.619 5.409 558 H GLU 73 HN GLU 73 -15.681 -11.366 4.280 559 HA GLU 73 HA GLU 73 -16.347 -13.115 2.005 560 HB2 GLU 73 2HB GLU 73 -15.373 -10.432 1.284 561 HB3 GLU 73 1HB GLU 73 -16.620 -11.424 0.531 562 HG2 GLU 73 2HG GLU 73 -18.136 -10.877 2.449 563 HG3 GLU 73 1HG GLU 73 -16.905 -9.772 3.055 564 HA PRO 74 HA PRO 74 -11.913 -13.860 2.976 565 HB2 PRO 74 2HB PRO 74 -12.229 -15.426 0.448 566 HB3 PRO 74 1HB PRO 74 -11.455 -15.891 1.974 567 HG2 PRO 74 2HG PRO 74 -13.860 -16.805 1.307 568 HG3 PRO 74 1HG PRO 74 -13.445 -16.413 2.984 569 HD2 PRO 74 2HD PRO 74 -15.197 -14.929 1.085 570 HD3 PRO 74 1HD PRO 74 -15.267 -15.012 2.860 571 H GLY 75 HN GLY 75 -10.131 -12.806 2.293 572 HA2 GLY 75 2HA GLY 75 -8.643 -11.730 0.826 573 HA3 GLY 75 1HA GLY 75 -9.816 -11.930 -0.462 574 H LYS 76 HN LYS 76 -11.397 -10.743 2.158 575 HA LYS 76 HA LYS 76 -10.966 -7.924 1.387 576 HB2 LYS 76 2HB LYS 76 -13.130 -8.858 0.500 577 HB3 LYS 76 1HB LYS 76 -13.614 -9.164 2.167 578 HG2 LYS 76 2HG LYS 76 -12.764 -6.519 2.223 579 HG3 LYS 76 1HG LYS 76 -13.608 -6.657 0.681 580 HD2 LYS 76 2HD LYS 76 -15.526 -7.733 1.892 581 HD3 LYS 76 1HD LYS 76 -14.697 -7.387 3.410 582 HE2 LYS 76 2HE LYS 76 -14.797 -5.020 3.016 583 HE3 LYS 76 1HE LYS 76 -15.381 -5.261 1.372 584 HZ1 LYS 76 1HZ LYS 76 -17.416 -6.126 2.179 585 HZ2 LYS 76 2HZ LYS 76 -17.127 -4.689 3.037 586 HZ3 LYS 76 3HZ LYS 76 -16.846 -6.194 3.774 587 H TYR 77 HN TYR 77 -9.866 -7.120 3.103 588 HA TYR 77 HA TYR 77 -10.880 -7.824 5.798 589 HB2 TYR 77 2HB TYR 77 -8.130 -6.813 5.066 590 HB3 TYR 77 1HB TYR 77 -8.666 -7.350 6.654 591 HD1 TYR 77 1HD TYR 77 -8.098 -8.490 3.148 592 HD2 TYR 77 2HD TYR 77 -8.611 -9.638 7.253 593 HE1 TYR 77 1HE TYR 77 -7.434 -10.811 2.586 594 HE2 TYR 77 2HE TYR 77 -7.944 -11.957 6.688 595 HH TYR 77 HH TYR 77 -7.549 -13.397 5.007 596 H THR 78 HN THR 78 -10.530 -6.088 7.425 597 HA THR 78 HA THR 78 -10.765 -3.399 6.234 598 HB THR 78 HB THR 78 -12.398 -3.109 8.351 599 HG1 THR 78 1HG THR 78 -13.143 -4.946 8.983 600 HG21 THR 78 1HG2 THR 78 -12.934 -3.949 5.513 601 HG22 THR 78 2HG2 THR 78 -13.097 -2.348 6.250 602 HG23 THR 78 3HG2 THR 78 -14.264 -3.619 6.625 603 H ALA 79 HN ALA 79 -10.223 -1.656 7.685 604 HA ALA 79 HA ALA 79 -8.183 -2.515 9.613 605 HB1 ALA 79 1HB ALA 79 -7.701 -0.004 9.663 606 HB2 ALA 79 2HB ALA 79 -8.834 0.123 8.318 607 HB3 ALA 79 3HB ALA 79 -7.371 -0.847 8.150 608 H ASP 80 HN ASP 80 -10.270 -3.281 10.865 609 HA ASP 80 HA ASP 80 -11.753 -2.995 12.591 610 HB2 ASP 80 2HB ASP 80 -9.408 -1.280 13.407 611 HB3 ASP 80 1HB ASP 80 -10.746 -1.663 14.488 612 H GLY 81 HN GLY 81 -12.633 -1.420 10.491 613 HA2 GLY 81 2HA GLY 81 -14.285 0.191 10.253 614 HA3 GLY 81 1HA GLY 81 -14.036 0.653 11.939 615 H GLY 82 HN GLY 82 -11.468 0.356 9.587 616 HA2 GLY 82 2HA GLY 82 -10.882 3.225 9.937 617 HA3 GLY 82 1HA GLY 82 -9.748 2.001 9.364 618 H LYS 83 HN LYS 83 -13.065 2.380 8.342 619 HA LYS 83 HA LYS 83 -13.890 2.358 6.155 620 HB2 LYS 83 2HB LYS 83 -13.142 4.724 5.142 621 HB3 LYS 83 1HB LYS 83 -14.301 4.585 6.460 622 HG2 LYS 83 2HG LYS 83 -12.481 4.913 8.101 623 HG3 LYS 83 1HG LYS 83 -11.320 5.053 6.782 624 HD2 LYS 83 2HD LYS 83 -11.754 7.269 6.835 625 HD3 LYS 83 1HD LYS 83 -13.293 6.865 6.073 626 HE2 LYS 83 2HE LYS 83 -12.740 7.186 9.034 627 HE3 LYS 83 1HE LYS 83 -13.795 8.179 8.029 628 HZ1 LYS 83 1HZ LYS 83 -14.323 5.306 8.123 629 HZ2 LYS 83 2HZ LYS 83 -15.410 6.607 7.996 630 HZ3 LYS 83 3HZ LYS 83 -14.720 6.215 9.498 631 H HIS 84 HN HIS 84 -11.215 1.093 6.408 632 HA HIS 84 HA HIS 84 -10.294 1.472 3.648 633 HB2 HIS 84 2HB HIS 84 -8.762 1.077 6.192 634 HB3 HIS 84 1HB HIS 84 -8.089 0.507 4.666 635 HD1 HIS 84 1HD HIS 84 -9.331 2.884 2.945 636 HD2 HIS 84 2HD HIS 84 -7.039 3.319 6.399 637 HE1 HIS 84 1HE HIS 84 -8.322 5.209 2.849 638 H VAL 85 HN VAL 85 -10.553 -0.220 2.414 639 HA VAL 85 HA VAL 85 -10.916 -2.840 3.715 640 HB VAL 85 HB VAL 85 -11.833 -2.156 0.941 641 HG11 VAL 85 1HG1 VAL 85 -11.694 -4.525 1.498 642 HG12 VAL 85 2HG1 VAL 85 -13.388 -4.047 1.411 643 HG13 VAL 85 3HG1 VAL 85 -12.610 -4.257 2.979 644 HG21 VAL 85 1HG2 VAL 85 -13.131 -0.609 2.091 645 HG22 VAL 85 2HG2 VAL 85 -13.076 -1.532 3.592 646 HG23 VAL 85 3HG2 VAL 85 -14.132 -2.050 2.279 647 H ALA 86 HN ALA 86 -8.981 -3.803 3.644 648 HA ALA 86 HA ALA 86 -7.314 -3.506 1.300 649 HB1 ALA 86 1HB ALA 86 -5.790 -3.352 2.921 650 HB2 ALA 86 2HB ALA 86 -5.908 -5.109 3.015 651 HB3 ALA 86 3HB ALA 86 -6.855 -4.098 4.112 652 H TYR 87 HN TYR 87 -6.640 -5.076 -0.011 653 HA TYR 87 HA TYR 87 -7.845 -7.738 0.371 654 HB2 TYR 87 2HB TYR 87 -7.424 -6.256 -2.233 655 HB3 TYR 87 1HB TYR 87 -7.953 -7.925 -2.104 656 HD1 TYR 87 1HD TYR 87 -8.832 -4.478 -0.945 657 HD2 TYR 87 2HD TYR 87 -10.232 -8.410 -1.959 658 HE1 TYR 87 1HE TYR 87 -11.176 -3.695 -0.729 659 HE2 TYR 87 2HE TYR 87 -12.580 -7.628 -1.738 660 HH TYR 87 HH TYR 87 -13.896 -5.943 -1.007 661 H ILE 88 HN ILE 88 -6.481 -9.397 0.200 662 HA ILE 88 HA ILE 88 -3.676 -8.818 -0.550 663 HB ILE 88 HB ILE 88 -4.427 -11.220 1.062 664 HG12 ILE 88 2HG1 ILE 88 -4.187 -8.378 2.096 665 HG13 ILE 88 1HG1 ILE 88 -5.609 -9.417 2.198 666 HG21 ILE 88 1HG2 ILE 88 -2.199 -11.164 1.689 667 HG22 ILE 88 2HG2 ILE 88 -2.097 -9.407 1.562 668 HG23 ILE 88 3HG2 ILE 88 -2.074 -10.401 0.105 669 HD11 ILE 88 1HD1 ILE 88 -4.793 -9.998 4.228 670 HD12 ILE 88 2HD1 ILE 88 -3.173 -9.406 3.842 671 HD13 ILE 88 3HD1 ILE 88 -3.678 -11.010 3.311 672 H ILE 89 HN ILE 89 -3.095 -9.614 -2.446 673 HA ILE 89 HA ILE 89 -4.358 -12.119 -3.364 674 HB ILE 89 HB ILE 89 -3.140 -10.522 -5.460 675 HG12 ILE 89 2HG1 ILE 89 -3.848 -8.638 -4.014 676 HG13 ILE 89 1HG1 ILE 89 -4.813 -8.718 -5.482 677 HG21 ILE 89 1HG2 ILE 89 -5.944 -11.582 -4.986 678 HG22 ILE 89 2HG2 ILE 89 -4.653 -12.400 -5.866 679 HG23 ILE 89 3HG2 ILE 89 -5.355 -10.917 -6.510 680 HD11 ILE 89 1HD1 ILE 89 -5.711 -8.767 -2.792 681 HD12 ILE 89 2HD1 ILE 89 -6.055 -10.346 -3.485 682 HD13 ILE 89 3HD1 ILE 89 -6.674 -8.891 -4.260 683 H ARG 90 HN ARG 90 -3.036 -13.556 -4.540 684 HA ARG 90 HA ARG 90 -0.195 -13.397 -3.813 685 HB2 ARG 90 2HB ARG 90 -1.053 -15.843 -5.166 686 HB3 ARG 90 1HB ARG 90 -0.234 -15.641 -3.623 687 HG2 ARG 90 2HG ARG 90 -2.316 -16.598 -3.048 688 HG3 ARG 90 1HG ARG 90 -2.515 -14.886 -2.696 689 HD2 ARG 90 2HD ARG 90 -3.945 -16.555 -4.601 690 HD3 ARG 90 1HD ARG 90 -4.350 -14.951 -4.002 691 HE ARG 90 HE ARG 90 -2.335 -14.505 -5.810 692 HH11 ARG 90 1HH1 ARG 90 -2.733 -14.097 -8.008 693 HH12 ARG 90 2HH1 ARG 90 -4.193 -14.678 -8.740 694 HH21 ARG 90 1HH2 ARG 90 -5.383 -16.140 -5.830 695 HH22 ARG 90 2HH2 ARG 90 -5.693 -15.834 -7.507 696 H SER 91 HN SER 91 0.876 -12.225 -5.329 697 HA SER 91 HA SER 91 0.316 -11.715 -7.925 698 HB2 SER 91 2HB SER 91 2.355 -10.785 -7.890 699 HB3 SER 91 1HB SER 91 2.570 -11.474 -6.283 700 HG SER 91 HG SER 91 3.981 -12.034 -8.351 701 H HIS 92 HN HIS 92 1.297 -12.573 -9.926 702 HA HIS 92 HA HIS 92 0.683 -15.364 -10.205 703 HB2 HIS 92 2HB HIS 92 1.847 -13.328 -12.116 704 HB3 HIS 92 1HB HIS 92 1.474 -14.991 -12.569 705 HD1 HIS 92 1HD HIS 92 -0.802 -13.407 -10.111 706 HD2 HIS 92 2HD HIS 92 -0.658 -13.926 -14.245 707 HE1 HIS 92 1HE HIS 92 -3.117 -12.861 -10.981 708 H VAL 93 HN VAL 93 3.339 -13.743 -9.061 709 HA VAL 93 HA VAL 93 5.211 -15.869 -9.912 710 HB VAL 93 HB VAL 93 5.799 -13.079 -8.892 711 HG11 VAL 93 1HG1 VAL 93 8.120 -13.851 -9.894 712 HG12 VAL 93 2HG1 VAL 93 7.491 -15.465 -9.561 713 HG13 VAL 93 3HG1 VAL 93 7.672 -14.300 -8.248 714 HG21 VAL 93 1HG2 VAL 93 6.688 -12.824 -11.259 715 HG22 VAL 93 2HG2 VAL 93 4.933 -12.950 -11.133 716 HG23 VAL 93 3HG2 VAL 93 5.884 -14.346 -11.643 717 H LYS 94 HN LYS 94 6.753 -16.600 -8.293 718 HA LYS 94 HA LYS 94 5.454 -17.085 -5.762 719 HB2 LYS 94 2HB LYS 94 7.041 -18.637 -7.198 720 HB3 LYS 94 1HB LYS 94 8.305 -17.829 -6.269 721 HG2 LYS 94 2HG LYS 94 7.832 -19.573 -4.827 722 HG3 LYS 94 1HG LYS 94 6.664 -18.389 -4.241 723 HD2 LYS 94 2HD LYS 94 4.957 -19.379 -5.778 724 HD3 LYS 94 1HD LYS 94 6.127 -20.625 -6.217 725 HE2 LYS 94 2HE LYS 94 6.205 -21.455 -3.957 726 HE3 LYS 94 1HE LYS 94 5.258 -20.089 -3.365 727 HZ1 LYS 94 1HZ LYS 94 3.885 -22.054 -3.631 728 HZ2 LYS 94 2HZ LYS 94 4.312 -22.162 -5.271 729 HZ3 LYS 94 3HZ LYS 94 3.399 -20.843 -4.714 730 H ASP 95 HN ASP 95 6.269 -16.551 -3.706 731 HA ASP 95 HA ASP 95 7.192 -15.176 -2.115 732 HB2 ASP 95 2HB ASP 95 9.353 -14.251 -3.935 733 HB3 ASP 95 1HB ASP 95 9.445 -14.805 -2.265 734 H HIS 96 HN HIS 96 5.342 -14.152 -4.266 735 HA HIS 96 HA HIS 96 5.848 -11.287 -3.774 736 HB2 HIS 96 2HB HIS 96 5.257 -12.612 -6.416 737 HB3 HIS 96 1HB HIS 96 4.894 -10.910 -6.130 738 HD1 HIS 96 1HD HIS 96 7.789 -13.326 -6.320 739 HD2 HIS 96 2HD HIS 96 7.152 -9.216 -6.034 740 HE1 HIS 96 1HE HIS 96 10.040 -12.222 -6.687 741 H TYR 97 HN TYR 97 4.052 -10.085 -3.338 742 HA TYR 97 HA TYR 97 1.408 -11.321 -3.678 743 HB2 TYR 97 2HB TYR 97 2.721 -10.660 -1.105 744 HB3 TYR 97 1HB TYR 97 1.021 -10.213 -1.266 745 HD1 TYR 97 1HD TYR 97 3.410 -13.026 -1.675 746 HD2 TYR 97 2HD TYR 97 -0.683 -11.856 -1.139 747 HE1 TYR 97 1HE TYR 97 2.775 -15.405 -1.333 748 HE2 TYR 97 2HE TYR 97 -1.324 -14.224 -0.799 749 HH TYR 97 HH TYR 97 1.085 -16.749 -0.478 750 H ILE 98 HN ILE 98 -0.193 -9.925 -4.151 751 HA ILE 98 HA ILE 98 0.560 -7.129 -4.562 752 HB ILE 98 HB ILE 98 -2.014 -8.481 -5.367 753 HG12 ILE 98 2HG1 ILE 98 -0.277 -9.842 -6.319 754 HG13 ILE 98 1HG1 ILE 98 -0.899 -8.807 -7.600 755 HG21 ILE 98 1HG2 ILE 98 -0.856 -6.442 -7.106 756 HG22 ILE 98 2HG2 ILE 98 -1.171 -5.844 -5.474 757 HG23 ILE 98 3HG2 ILE 98 -2.479 -6.546 -6.423 758 HD11 ILE 98 1HD1 ILE 98 1.699 -8.616 -6.107 759 HD12 ILE 98 2HD1 ILE 98 1.014 -7.173 -6.858 760 HD13 ILE 98 3HD1 ILE 98 1.424 -8.576 -7.847 761 H PHE 99 HN PHE 99 -0.185 -5.561 -3.229 762 HA PHE 99 HA PHE 99 -2.322 -6.310 -1.342 763 HB2 PHE 99 2HB PHE 99 -0.044 -5.889 -0.344 764 HB3 PHE 99 1HB PHE 99 -0.143 -4.241 -0.961 765 HD1 PHE 99 1HD PHE 99 -1.098 -6.491 1.676 766 HD2 PHE 99 2HD PHE 99 -2.136 -2.804 -0.266 767 HE1 PHE 99 1HE PHE 99 -2.442 -5.837 3.654 768 HE2 PHE 99 2HE PHE 99 -3.482 -2.140 1.706 769 HZ PHE 99 HZ PHE 99 -3.623 -3.651 3.672 770 H TYR 100 HN TYR 100 -4.125 -5.130 -1.469 771 HA TYR 100 HA TYR 100 -4.022 -2.537 -2.904 772 HB2 TYR 100 2HB TYR 100 -4.838 -4.237 -4.442 773 HB3 TYR 100 1HB TYR 100 -6.011 -4.787 -3.256 774 HD1 TYR 100 1HD TYR 100 -4.926 -1.605 -4.860 775 HD2 TYR 100 2HD TYR 100 -8.199 -4.004 -3.490 776 HE1 TYR 100 1HE TYR 100 -6.514 0.083 -5.740 777 HE2 TYR 100 2HE TYR 100 -9.798 -2.320 -4.363 778 HH TYR 100 HH TYR 100 -8.684 0.472 -6.234 779 H SER 101 HN SER 101 -5.635 -1.019 -2.260 780 HA SER 101 HA SER 101 -7.385 -1.740 -0.060 781 HB2 SER 101 2HB SER 101 -6.182 -0.882 1.617 782 HB3 SER 101 1HB SER 101 -4.845 -0.665 0.493 783 HG SER 101 HG SER 101 -6.998 1.163 0.772 784 H GLU 102 HN GLU 102 -9.101 -0.396 0.242 785 HA GLU 102 HA GLU 102 -9.291 1.968 -1.538 786 HB2 GLU 102 2HB GLU 102 -11.548 0.041 -0.944 787 HB3 GLU 102 1HB GLU 102 -11.570 1.397 -2.072 788 HG2 GLU 102 2HG GLU 102 -9.473 0.094 -3.085 789 HG3 GLU 102 1HG GLU 102 -10.295 -1.282 -2.347 790 H GLY 103 HN GLY 103 -10.258 3.715 -0.688 791 HA2 GLY 103 2HA GLY 103 -11.919 3.710 1.622 792 HA3 GLY 103 1HA GLY 103 -10.279 4.199 2.036 793 H GLU 104 HN GLU 104 -10.840 6.318 2.517 794 HA GLU 104 HA GLU 104 -11.081 8.061 0.216 795 HB2 GLU 104 2HB GLU 104 -13.037 9.259 1.037 796 HB3 GLU 104 1HB GLU 104 -13.434 7.561 0.760 797 HG2 GLU 104 2HG GLU 104 -12.751 7.247 3.243 798 HG3 GLU 104 1HG GLU 104 -12.981 8.991 3.357 799 H LEU 105 HN LEU 105 -10.423 10.178 0.610 800 HA LEU 105 HA LEU 105 -9.359 10.707 3.314 801 HB2 LEU 105 2HB LEU 105 -7.714 10.123 1.264 802 HB3 LEU 105 1HB LEU 105 -7.912 11.851 0.985 803 HG LEU 105 HG LEU 105 -7.458 12.048 3.557 804 HD11 LEU 105 1HD1 LEU 105 -5.732 9.658 3.177 805 HD12 LEU 105 2HD1 LEU 105 -7.445 9.353 3.470 806 HD13 LEU 105 3HD1 LEU 105 -6.499 10.271 4.641 807 HD21 LEU 105 1HD2 LEU 105 -5.021 12.174 3.093 808 HD22 LEU 105 2HD2 LEU 105 -5.968 12.928 1.811 809 HD23 LEU 105 3HD2 LEU 105 -5.281 11.322 1.573 810 H HIS 106 HN HIS 106 -10.849 12.126 3.985 811 HA HIS 106 HA HIS 106 -11.798 14.193 4.250 812 HB2 HIS 106 2HB HIS 106 -10.588 15.217 1.712 813 HB3 HIS 106 1HB HIS 106 -10.890 16.063 3.229 814 HD1 HIS 106 1HD HIS 106 -9.447 14.648 5.319 815 HD2 HIS 106 2HD HIS 106 -7.873 14.836 1.465 816 HE1 HIS 106 1HE HIS 106 -6.962 14.216 5.541 817 H GLY 107 HN GLY 107 -13.069 12.038 2.828 818 HA2 GLY 107 2HA GLY 107 -15.155 11.831 1.842 819 HA3 GLY 107 1HA GLY 107 -15.185 13.577 1.607 820 H LYS 108 HN LYS 108 -12.408 11.854 0.527 821 HA LYS 108 HA LYS 108 -13.371 11.981 -2.254 822 HB2 LYS 108 2HB LYS 108 -11.785 13.786 -1.889 823 HB3 LYS 108 1HB LYS 108 -10.630 12.662 -1.174 824 HG2 LYS 108 2HG LYS 108 -11.547 11.786 -3.797 825 HG3 LYS 108 1HG LYS 108 -10.767 13.363 -3.858 826 HD2 LYS 108 2HD LYS 108 -8.801 12.472 -2.705 827 HD3 LYS 108 1HD LYS 108 -9.586 10.901 -2.541 828 HE2 LYS 108 2HE LYS 108 -8.739 10.328 -4.547 829 HE3 LYS 108 1HE LYS 108 -9.753 11.568 -5.282 830 HZ1 LYS 108 1HZ LYS 108 -6.945 11.545 -4.926 831 HZ2 LYS 108 2HZ LYS 108 -7.617 12.895 -4.142 832 HZ3 LYS 108 3HZ LYS 108 -7.902 12.641 -5.798 833 HA PRO 109 HA PRO 109 -12.375 7.594 -1.640 834 HB2 PRO 109 2HB PRO 109 -12.482 6.889 -4.354 835 HB3 PRO 109 1HB PRO 109 -13.803 6.777 -3.180 836 HG2 PRO 109 2HG PRO 109 -13.312 8.770 -5.276 837 HG3 PRO 109 1HG PRO 109 -14.830 8.267 -4.520 838 HD2 PRO 109 2HD PRO 109 -13.572 10.654 -4.021 839 HD3 PRO 109 1HD PRO 109 -14.689 9.872 -2.880 840 H VAL 110 HN VAL 110 -10.468 6.513 -1.573 841 HA VAL 110 HA VAL 110 -8.414 7.079 -3.583 842 HB VAL 110 HB VAL 110 -7.654 8.725 -2.132 843 HG11 VAL 110 1HG1 VAL 110 -7.590 7.936 0.461 844 HG12 VAL 110 2HG1 VAL 110 -9.013 7.059 -0.093 845 HG13 VAL 110 3HG1 VAL 110 -8.940 8.816 -0.251 846 HG21 VAL 110 1HG2 VAL 110 -6.011 6.737 -2.451 847 HG22 VAL 110 2HG2 VAL 110 -6.374 6.361 -0.765 848 HG23 VAL 110 3HG2 VAL 110 -5.652 7.911 -1.187 849 H ARG 111 HN ARG 111 -6.995 5.421 -3.888 850 HA ARG 111 HA ARG 111 -7.204 3.104 -2.083 851 HB2 ARG 111 2HB ARG 111 -7.141 1.634 -4.111 852 HB3 ARG 111 1HB ARG 111 -8.608 2.599 -3.988 853 HG2 ARG 111 2HG ARG 111 -6.388 3.896 -5.453 854 HG3 ARG 111 1HG ARG 111 -7.066 2.467 -6.233 855 HD2 ARG 111 2HD ARG 111 -9.229 3.408 -6.339 856 HD3 ARG 111 1HD ARG 111 -8.849 4.635 -5.132 857 HE ARG 111 HE ARG 111 -7.151 4.988 -7.363 858 HH11 ARG 111 1HH1 ARG 111 -7.633 6.642 -8.841 859 HH12 ARG 111 2HH1 ARG 111 -9.236 7.293 -8.912 860 HH21 ARG 111 1HH2 ARG 111 -10.468 5.233 -6.408 861 HH22 ARG 111 2HH2 ARG 111 -10.842 6.494 -7.536 862 H GLY 112 HN GLY 112 -5.425 1.518 -3.799 863 HA2 GLY 112 2HA GLY 112 -3.059 2.647 -4.548 864 HA3 GLY 112 1HA GLY 112 -2.924 2.527 -2.804 865 H VAL 113 HN VAL 113 -1.771 1.090 -5.311 866 HA VAL 113 HA VAL 113 -2.226 -1.667 -4.347 867 HB VAL 113 HB VAL 113 -0.911 -1.068 -6.975 868 HG11 VAL 113 1HG1 VAL 113 -1.565 -3.251 -7.493 869 HG12 VAL 113 2HG1 VAL 113 -2.930 -3.198 -6.365 870 HG13 VAL 113 3HG1 VAL 113 -1.287 -3.352 -5.746 871 HG21 VAL 113 1HG2 VAL 113 -3.552 -1.498 -7.650 872 HG22 VAL 113 2HG2 VAL 113 -2.726 0.057 -7.710 873 HG23 VAL 113 3HG2 VAL 113 -3.683 -0.372 -6.301 874 H LYS 114 HN LYS 114 -0.486 -2.744 -3.498 875 HA LYS 114 HA LYS 114 2.176 -1.564 -3.975 876 HB2 LYS 114 2HB LYS 114 1.841 -2.930 -1.411 877 HB3 LYS 114 1HB LYS 114 2.563 -1.358 -1.772 878 HG2 LYS 114 2HG LYS 114 0.244 -0.445 -2.096 879 HG3 LYS 114 1HG LYS 114 -0.385 -1.983 -1.511 880 HD2 LYS 114 2HD LYS 114 0.689 -1.691 0.623 881 HD3 LYS 114 1HD LYS 114 1.546 -0.274 0.029 882 HE2 LYS 114 2HE LYS 114 -1.301 0.007 -0.398 883 HE3 LYS 114 1HE LYS 114 -0.948 -0.297 1.304 884 HZ1 LYS 114 1HZ LYS 114 0.324 1.588 1.477 885 HZ2 LYS 114 2HZ LYS 114 -0.873 2.108 0.387 886 HZ3 LYS 114 3HZ LYS 114 0.663 1.659 -0.183 887 H LEU 115 HN LEU 115 3.724 -2.960 -4.591 888 HA LEU 115 HA LEU 115 3.062 -5.829 -4.697 889 HB2 LEU 115 2HB LEU 115 3.754 -4.965 -6.836 890 HB3 LEU 115 1HB LEU 115 5.129 -4.133 -6.126 891 HG LEU 115 HG LEU 115 6.207 -6.263 -5.604 892 HD11 LEU 115 1HD1 LEU 115 4.413 -7.708 -5.045 893 HD12 LEU 115 2HD1 LEU 115 5.038 -8.362 -6.560 894 HD13 LEU 115 3HD1 LEU 115 3.579 -7.376 -6.561 895 HD21 LEU 115 1HD2 LEU 115 6.287 -7.241 -7.996 896 HD22 LEU 115 2HD2 LEU 115 6.742 -5.544 -7.803 897 HD23 LEU 115 3HD2 LEU 115 5.145 -5.963 -8.405 898 H VAL 116 HN VAL 116 3.911 -7.099 -3.171 899 HA VAL 116 HA VAL 116 6.428 -6.228 -1.927 900 HB VAL 116 HB VAL 116 5.662 -6.640 0.200 901 HG11 VAL 116 1HG1 VAL 116 3.661 -5.464 0.442 902 HG12 VAL 116 2HG1 VAL 116 2.938 -6.213 -0.981 903 HG13 VAL 116 3HG1 VAL 116 4.166 -4.963 -1.171 904 HG21 VAL 116 1HG2 VAL 116 5.018 -8.903 0.079 905 HG22 VAL 116 2HG2 VAL 116 3.784 -8.585 -1.131 906 HG23 VAL 116 3HG2 VAL 116 3.540 -8.073 0.536 907 H GLY 117 HN GLY 117 7.982 -7.712 -1.575 908 HA2 GLY 117 2HA GLY 117 7.460 -10.553 -1.827 909 HA3 GLY 117 1HA GLY 117 8.358 -9.865 -3.172 910 H ARG 118 HN ARG 118 9.564 -11.797 -1.707 911 HA ARG 118 HA ARG 118 11.131 -10.814 0.471 912 HB2 ARG 118 2HB ARG 118 10.978 -13.286 -1.151 913 HB3 ARG 118 1HB ARG 118 12.557 -12.936 -0.450 914 HG2 ARG 118 2HG ARG 118 10.108 -12.714 1.277 915 HG3 ARG 118 1HG ARG 118 10.778 -14.305 0.931 916 HD2 ARG 118 2HD ARG 118 12.313 -11.977 2.118 917 HD3 ARG 118 1HD ARG 118 11.735 -13.382 3.008 918 HE ARG 118 HE ARG 118 13.332 -14.244 0.835 919 HH11 ARG 118 1HH1 ARG 118 15.460 -14.912 1.257 920 HH12 ARG 118 2HH1 ARG 118 16.240 -14.426 2.725 921 HH21 ARG 118 1HH2 ARG 118 13.515 -12.623 3.887 922 HH22 ARG 118 2HH2 ARG 118 15.138 -13.130 4.214 923 H ASP 119 HN ASP 119 11.189 -10.043 -2.724 924 HA ASP 119 HA ASP 119 12.792 -9.268 -4.201 925 HB2 ASP 119 2HB ASP 119 14.166 -7.481 -3.239 926 HB3 ASP 119 1HB ASP 119 12.511 -7.390 -2.641 927 HA PRO 120 HA PRO 120 16.111 -12.268 -2.853 928 HB2 PRO 120 2HB PRO 120 15.606 -14.268 -4.614 929 HB3 PRO 120 1HB PRO 120 14.770 -14.148 -3.052 930 HG2 PRO 120 2HG PRO 120 13.815 -13.411 -5.771 931 HG3 PRO 120 1HG PRO 120 12.935 -14.162 -4.430 932 HD2 PRO 120 2HD PRO 120 12.774 -11.473 -5.074 933 HD3 PRO 120 1HD PRO 120 12.423 -12.141 -3.465 934 H LYS 121 HN LYS 121 14.908 -11.161 -5.949 935 HA LYS 121 HA LYS 121 17.447 -10.266 -6.842 936 HB2 LYS 121 2HB LYS 121 18.028 -11.821 -8.495 937 HB3 LYS 121 1HB LYS 121 17.532 -12.844 -7.147 938 HG2 LYS 121 2HG LYS 121 15.161 -12.704 -8.233 939 HG3 LYS 121 1HG LYS 121 16.040 -12.215 -9.682 940 HD2 LYS 121 2HD LYS 121 16.136 -14.478 -10.024 941 HD3 LYS 121 1HD LYS 121 17.533 -14.346 -8.955 942 HE2 LYS 121 2HE LYS 121 16.075 -14.827 -7.010 943 HE3 LYS 121 1HE LYS 121 14.698 -15.006 -8.099 944 HZ1 LYS 121 1HZ LYS 121 16.373 -16.995 -7.348 945 HZ2 LYS 121 2HZ LYS 121 16.983 -16.566 -8.875 946 HZ3 LYS 121 3HZ LYS 121 15.358 -17.031 -8.707 947 H ASN 122 HN ASN 122 14.262 -10.080 -6.749 948 HA ASN 122 HA ASN 122 12.813 -8.630 -7.826 949 HB2 ASN 122 2HB ASN 122 15.159 -7.609 -8.608 950 HB3 ASN 122 1HB ASN 122 14.613 -8.239 -10.161 951 HD21 ASN 122 1HD2 ASN 122 13.383 -6.257 -7.407 952 HD22 ASN 122 2HD2 ASN 122 12.425 -5.246 -8.379 953 H ASN 123 HN ASN 123 11.181 -8.954 -9.332 954 HA ASN 123 HA ASN 123 11.606 -11.060 -11.347 955 HB2 ASN 123 2HB ASN 123 9.679 -11.064 -9.078 956 HB3 ASN 123 1HB ASN 123 9.107 -11.672 -10.630 957 HD21 ASN 123 1HD2 ASN 123 11.151 -13.084 -11.699 958 HD22 ASN 123 2HD2 ASN 123 11.708 -14.291 -10.643 959 H LEU 124 HN LEU 124 11.623 -9.400 -12.907 960 HA LEU 124 HA LEU 124 9.875 -7.319 -13.268 961 HB2 LEU 124 2HB LEU 124 10.329 -7.520 -15.684 962 HB3 LEU 124 1HB LEU 124 11.805 -7.722 -14.737 963 HG LEU 124 HG LEU 124 10.756 -10.300 -14.899 964 HD11 LEU 124 1HD1 LEU 124 10.610 -8.980 -17.625 965 HD12 LEU 124 2HD1 LEU 124 9.198 -9.413 -16.661 966 HD13 LEU 124 3HD1 LEU 124 10.283 -10.673 -17.249 967 HD21 LEU 124 1HD2 LEU 124 12.692 -10.695 -16.381 968 HD22 LEU 124 2HD2 LEU 124 13.133 -9.634 -15.043 969 HD23 LEU 124 3HD2 LEU 124 12.844 -8.959 -16.647 970 H GLU 125 HN GLU 125 9.289 -10.710 -13.555 971 HA GLU 125 HA GLU 125 6.896 -10.529 -15.118 972 HB2 GLU 125 2HB GLU 125 8.272 -12.647 -13.520 973 HB3 GLU 125 1HB GLU 125 6.566 -12.874 -13.907 974 HG2 GLU 125 2HG GLU 125 6.966 -12.828 -16.235 975 HG3 GLU 125 1HG GLU 125 8.558 -12.099 -16.034 976 H ALA 126 HN ALA 126 7.706 -10.467 -11.711 977 HA ALA 126 HA ALA 126 5.019 -10.624 -10.766 978 HB1 ALA 126 1HB ALA 126 7.170 -11.099 -9.439 979 HB2 ALA 126 2HB ALA 126 5.921 -10.164 -8.620 980 HB3 ALA 126 3HB ALA 126 7.328 -9.348 -9.299 981 H LEU 127 HN LEU 127 7.298 -8.015 -11.563 982 HA LEU 127 HA LEU 127 5.691 -5.895 -10.640 983 HB2 LEU 127 2HB LEU 127 8.052 -6.212 -12.346 984 HB3 LEU 127 1HB LEU 127 7.051 -4.826 -12.772 985 HG LEU 127 HG LEU 127 7.881 -5.402 -9.922 986 HD11 LEU 127 1HD1 LEU 127 9.337 -3.967 -12.130 987 HD12 LEU 127 2HD1 LEU 127 9.976 -5.084 -10.924 988 HD13 LEU 127 3HD1 LEU 127 9.528 -3.443 -10.457 989 HD21 LEU 127 1HD2 LEU 127 7.486 -2.638 -10.783 990 HD22 LEU 127 2HD2 LEU 127 6.750 -3.504 -9.437 991 HD23 LEU 127 3HD2 LEU 127 6.048 -3.623 -11.049 992 H GLU 128 HN GLU 128 5.785 -7.628 -13.714 993 HA GLU 128 HA GLU 128 3.967 -5.900 -15.063 994 HB2 GLU 128 2HB GLU 128 5.365 -7.437 -16.330 995 HB3 GLU 128 1HB GLU 128 4.639 -8.822 -15.511 996 HG2 GLU 128 2HG GLU 128 2.763 -6.942 -16.846 997 HG3 GLU 128 1HG GLU 128 3.772 -7.927 -17.903 998 H ASP 129 HN ASP 129 3.619 -8.861 -13.171 999 HA ASP 129 HA ASP 129 0.838 -9.180 -13.538 1000 HB2 ASP 129 2HB ASP 129 2.469 -10.879 -12.564 1001 HB3 ASP 129 1HB ASP 129 2.363 -9.973 -11.056 1002 H PHE 130 HN PHE 130 2.746 -7.441 -11.114 1003 HA PHE 130 HA PHE 130 0.534 -6.599 -9.547 1004 HB2 PHE 130 2HB PHE 130 2.566 -6.377 -8.452 1005 HB3 PHE 130 1HB PHE 130 3.395 -5.814 -9.901 1006 HD1 PHE 130 1HD PHE 130 1.082 -4.868 -7.193 1007 HD2 PHE 130 2HD PHE 130 3.438 -3.476 -10.495 1008 HE1 PHE 130 1HE PHE 130 0.769 -2.553 -6.442 1009 HE2 PHE 130 2HE PHE 130 3.110 -1.134 -9.738 1010 HZ PHE 130 HZ PHE 130 1.769 -0.669 -7.704 1011 H GLU 131 HN GLU 131 2.445 -5.127 -12.125 1012 HA GLU 131 HA GLU 131 1.015 -2.706 -12.322 1013 HB2 GLU 131 2HB GLU 131 3.292 -3.312 -13.368 1014 HB3 GLU 131 1HB GLU 131 2.358 -4.072 -14.657 1015 HG2 GLU 131 2HG GLU 131 2.729 -1.877 -15.446 1016 HG3 GLU 131 1HG GLU 131 1.093 -1.817 -14.795 1017 H LYS 132 HN LYS 132 0.162 -5.911 -13.065 1018 HA LYS 132 HA LYS 132 -1.762 -5.160 -15.118 1019 HB2 LYS 132 2HB LYS 132 -0.550 -7.479 -14.898 1020 HB3 LYS 132 1HB LYS 132 -1.759 -7.793 -13.657 1021 HG2 LYS 132 2HG LYS 132 -2.632 -8.636 -15.746 1022 HG3 LYS 132 1HG LYS 132 -3.545 -7.190 -15.320 1023 HD2 LYS 132 2HD LYS 132 -2.719 -5.987 -17.083 1024 HD3 LYS 132 1HD LYS 132 -1.130 -6.745 -16.998 1025 HE2 LYS 132 2HE LYS 132 -2.346 -7.402 -19.054 1026 HE3 LYS 132 1HE LYS 132 -2.036 -8.792 -18.012 1027 HZ1 LYS 132 1HZ LYS 132 -4.375 -8.489 -18.964 1028 HZ2 LYS 132 2HZ LYS 132 -4.552 -7.268 -17.795 1029 HZ3 LYS 132 3HZ LYS 132 -4.228 -8.866 -17.317 1030 H ALA 133 HN ALA 133 -1.583 -6.072 -11.735 1031 HA ALA 133 HA ALA 133 -4.359 -6.013 -11.226 1032 HB1 ALA 133 1HB ALA 133 -3.270 -6.973 -9.441 1033 HB2 ALA 133 2HB ALA 133 -3.404 -5.327 -8.816 1034 HB3 ALA 133 3HB ALA 133 -1.897 -5.870 -9.554 1035 H ALA 134 HN ALA 134 -1.878 -3.495 -10.819 1036 HA ALA 134 HA ALA 134 -3.648 -1.492 -9.960 1037 HB1 ALA 134 1HB ALA 134 -1.791 -0.199 -9.906 1038 HB2 ALA 134 2HB ALA 134 -1.431 -0.520 -11.603 1039 HB3 ALA 134 3HB ALA 134 -0.912 -1.659 -10.360 1040 H GLY 135 HN GLY 135 -2.515 -2.501 -13.143 1041 HA2 GLY 135 2HA GLY 135 -3.908 -0.498 -14.565 1042 HA3 GLY 135 1HA GLY 135 -3.388 -2.047 -15.233 1043 H ALA 136 HN ALA 136 -4.694 -3.887 -13.881 1044 HA ALA 136 HA ALA 136 -7.143 -4.105 -14.984 1045 HB1 ALA 136 1HB ALA 136 -6.077 -5.982 -13.858 1046 HB2 ALA 136 2HB ALA 136 -7.701 -5.750 -13.209 1047 HB3 ALA 136 3HB ALA 136 -6.299 -5.194 -12.296 1048 H ARG 137 HN ARG 137 -6.351 -2.355 -12.055 1049 HA ARG 137 HA ARG 137 -9.155 -1.882 -11.479 1050 HB2 ARG 137 2HB ARG 137 -6.595 -1.483 -10.146 1051 HB3 ARG 137 1HB ARG 137 -7.604 -0.040 -10.049 1052 HG2 ARG 137 2HG ARG 137 -8.128 -1.404 -8.134 1053 HG3 ARG 137 1HG ARG 137 -9.493 -1.535 -9.240 1054 HD2 ARG 137 2HD ARG 137 -8.666 -3.673 -10.071 1055 HD3 ARG 137 1HD ARG 137 -7.202 -3.516 -9.108 1056 HE ARG 137 HE ARG 137 -9.406 -3.369 -7.369 1057 HH11 ARG 137 1HH1 ARG 137 -10.022 -5.218 -6.199 1058 HH12 ARG 137 2HH1 ARG 137 -9.536 -6.788 -6.751 1059 HH21 ARG 137 1HH2 ARG 137 -7.829 -5.576 -9.516 1060 HH22 ARG 137 2HH2 ARG 137 -8.294 -6.989 -8.628 1061 H GLY 138 HN GLY 138 -6.425 -0.390 -12.970 1062 HA2 GLY 138 2HA GLY 138 -6.808 1.132 -14.870 1063 HA3 GLY 138 1HA GLY 138 -8.146 1.818 -13.946 1064 H LEU 139 HN LEU 139 -5.079 0.818 -12.654 1065 HA LEU 139 HA LEU 139 -4.435 3.613 -11.941 1066 HB2 LEU 139 2HB LEU 139 -3.700 1.083 -10.445 1067 HB3 LEU 139 1HB LEU 139 -3.356 2.730 -9.943 1068 HG LEU 139 HG LEU 139 -6.205 1.989 -10.484 1069 HD11 LEU 139 1HD1 LEU 139 -6.442 1.181 -8.170 1070 HD12 LEU 139 2HD1 LEU 139 -4.703 1.343 -7.926 1071 HD13 LEU 139 3HD1 LEU 139 -5.326 0.152 -9.066 1072 HD21 LEU 139 1HD2 LEU 139 -5.068 3.634 -8.229 1073 HD22 LEU 139 2HD2 LEU 139 -6.650 3.761 -8.998 1074 HD23 LEU 139 3HD2 LEU 139 -5.209 4.318 -9.849 1075 H SER 140 HN SER 140 -3.676 2.330 -14.394 1076 HA SER 140 HA SER 140 -0.843 1.668 -14.017 1077 HB2 SER 140 2HB SER 140 -1.022 1.211 -16.544 1078 HB3 SER 140 1HB SER 140 -1.875 0.121 -15.456 1079 HG SER 140 HG SER 140 -3.596 1.947 -15.846 1080 H THR 141 HN THR 141 -1.570 4.342 -13.499 1081 HA THR 141 HA THR 141 0.235 5.701 -15.290 1082 HB THR 141 HB THR 141 -1.957 5.729 -16.537 1083 HG1 THR 141 1HG THR 141 -0.280 7.711 -15.956 1084 HG21 THR 141 1HG2 THR 141 -3.802 6.973 -15.694 1085 HG22 THR 141 2HG2 THR 141 -2.839 7.647 -14.379 1086 HG23 THR 141 3HG2 THR 141 -3.288 5.942 -14.358 1087 H GLU 142 HN GLU 142 -0.960 5.156 -12.351 1088 HA GLU 142 HA GLU 142 -1.303 7.691 -11.169 1089 HB2 GLU 142 2HB GLU 142 -0.133 5.272 -9.795 1090 HB3 GLU 142 1HB GLU 142 -1.054 6.575 -9.059 1091 HG2 GLU 142 2HG GLU 142 -2.019 4.374 -10.860 1092 HG3 GLU 142 1HG GLU 142 -2.617 4.826 -9.269 1093 H SER 143 HN SER 143 0.603 7.257 -8.978 1094 HA SER 143 HA SER 143 2.874 8.644 -10.204 1095 HB2 SER 143 2HB SER 143 3.077 9.838 -8.301 1096 HB3 SER 143 1HB SER 143 1.436 9.287 -7.987 1097 HG SER 143 HG SER 143 2.853 7.322 -7.191 1098 H ILE 144 HN ILE 144 2.052 5.583 -9.154 1099 HA ILE 144 HA ILE 144 3.523 4.073 -7.876 1100 HB ILE 144 HB ILE 144 2.485 3.260 -9.942 1101 HG12 ILE 144 2HG1 ILE 144 4.129 1.481 -10.452 1102 HG13 ILE 144 1HG1 ILE 144 5.365 2.373 -9.584 1103 HG21 ILE 144 1HG2 ILE 144 5.064 3.878 -11.359 1104 HG22 ILE 144 2HG2 ILE 144 3.793 5.101 -11.270 1105 HG23 ILE 144 3HG2 ILE 144 3.472 3.549 -12.047 1106 HD11 ILE 144 1HD1 ILE 144 4.081 0.464 -8.359 1107 HD12 ILE 144 2HD1 ILE 144 2.795 1.649 -8.215 1108 HD13 ILE 144 3HD1 ILE 144 4.376 1.969 -7.504 1109 H LEU 145 HN LEU 145 5.369 4.008 -6.882 1110 HA LEU 145 HA LEU 145 7.743 4.783 -8.416 1111 HB2 LEU 145 2HB LEU 145 8.540 6.300 -6.765 1112 HB3 LEU 145 1HB LEU 145 6.889 6.757 -7.115 1113 HG LEU 145 HG LEU 145 7.620 4.967 -4.755 1114 HD11 LEU 145 1HD1 LEU 145 8.491 6.788 -3.800 1115 HD12 LEU 145 2HD1 LEU 145 6.851 7.444 -3.776 1116 HD13 LEU 145 3HD1 LEU 145 7.940 7.839 -5.109 1117 HD21 LEU 145 1HD2 LEU 145 5.294 6.438 -4.253 1118 HD22 LEU 145 2HD2 LEU 145 5.371 4.734 -4.689 1119 HD23 LEU 145 3HD2 LEU 145 5.126 5.949 -5.936 1120 H ILE 146 HN ILE 146 9.758 4.140 -7.418 1121 HA ILE 146 HA ILE 146 9.587 2.044 -5.376 1122 HB ILE 146 HB ILE 146 11.234 1.447 -7.819 1123 HG12 ILE 146 2HG1 ILE 146 9.204 0.044 -8.569 1124 HG13 ILE 146 1HG1 ILE 146 8.247 1.085 -7.529 1125 HG21 ILE 146 1HG2 ILE 146 11.559 0.052 -5.867 1126 HG22 ILE 146 2HG2 ILE 146 10.700 -0.888 -7.084 1127 HG23 ILE 146 3HG2 ILE 146 9.826 -0.216 -5.708 1128 HD11 ILE 146 1HD1 ILE 146 9.193 1.608 -10.183 1129 HD12 ILE 146 2HD1 ILE 146 9.905 2.792 -9.093 1130 HD13 ILE 146 3HD1 ILE 146 8.155 2.610 -9.176 1131 HA PRO 147 HA PRO 147 13.198 5.247 -5.285 1132 HB2 PRO 147 2HB PRO 147 12.454 4.952 -2.420 1133 HB3 PRO 147 1HB PRO 147 12.916 6.404 -3.324 1134 HG2 PRO 147 2HG PRO 147 10.364 5.808 -2.647 1135 HG3 PRO 147 1HG PRO 147 10.814 6.777 -4.057 1136 HD2 PRO 147 2HD PRO 147 9.679 4.068 -3.977 1137 HD3 PRO 147 1HD PRO 147 9.823 5.191 -5.334 1138 H ARG 148 HN ARG 148 12.575 3.053 -2.617 1139 HA ARG 148 HA ARG 148 14.479 1.075 -3.218 1140 HB2 ARG 148 2HB ARG 148 15.586 3.559 -2.176 1141 HB3 ARG 148 1HB ARG 148 15.960 2.203 -1.123 1142 HG2 ARG 148 2HG ARG 148 17.271 1.149 -2.711 1143 HG3 ARG 148 1HG ARG 148 16.380 1.824 -4.073 1144 HD2 ARG 148 2HD ARG 148 18.592 2.855 -3.922 1145 HD3 ARG 148 1HD ARG 148 17.332 4.046 -3.600 1146 HE ARG 148 HE ARG 148 18.027 3.055 -1.121 1147 HH11 ARG 148 1HH1 ARG 148 19.622 4.032 0.167 1148 HH12 ARG 148 2HH1 ARG 148 20.853 4.999 -0.574 1149 HH21 ARG 148 1HH2 ARG 148 19.648 4.539 -3.793 1150 HH22 ARG 148 2HH2 ARG 148 20.866 5.287 -2.816 1151 H GLN 149 HN GLN 149 15.438 0.211 -0.905 1152 HA GLN 149 HA GLN 149 13.107 0.031 0.907 1153 HB2 GLN 149 2HB GLN 149 15.053 -2.225 0.577 1154 HB3 GLN 149 1HB GLN 149 13.378 -2.271 1.124 1155 HG2 GLN 149 2HG GLN 149 14.319 -1.720 -1.707 1156 HG3 GLN 149 1HG GLN 149 13.533 -3.190 -1.138 1157 HE21 GLN 149 1HE2 GLN 149 12.462 -1.444 -3.230 1158 HE22 GLN 149 2HE2 GLN 149 10.985 -0.838 -2.652 1159 H SER 150 HN SER 150 14.809 1.976 1.523 1160 HA SER 150 HA SER 150 17.153 1.456 2.899 1161 HB2 SER 150 2HB SER 150 16.238 3.727 2.425 1162 HB3 SER 150 1HB SER 150 15.045 3.480 3.696 1163 HG SER 150 HG SER 150 17.851 3.707 3.882 1164 H GLU 151 HN GLU 151 17.269 -0.288 4.231 1165 HA GLU 151 HA GLU 151 15.479 -1.521 5.796 1166 HB2 GLU 151 2HB GLU 151 17.454 -1.759 7.503 1167 HB3 GLU 151 1HB GLU 151 17.595 -2.461 5.890 1168 HG2 GLU 151 2HG GLU 151 18.475 0.373 6.319 1169 HG3 GLU 151 1HG GLU 151 19.530 -0.937 6.849 1170 H THR 152 HN THR 152 16.712 1.675 6.364 1171 HA THR 152 HA THR 152 14.755 2.055 8.483 1172 HB THR 152 HB THR 152 16.281 1.540 10.086 1173 HG1 THR 152 1HG THR 152 16.084 3.973 9.831 1174 HG21 THR 152 1HG2 THR 152 17.950 0.564 8.715 1175 HG22 THR 152 2HG2 THR 152 18.799 1.813 9.626 1176 HG23 THR 152 3HG2 THR 152 18.336 2.105 7.949 1177 H CYS 153 HN CYS 153 14.155 4.172 8.757 1178 HA CYS 153 HA CYS 153 14.553 5.959 6.637 1179 HB2 CYS 153 2HB CYS 153 12.765 6.871 7.635 1180 HB3 CYS 153 1HB CYS 153 13.018 5.861 9.058 1181 H SER 154 HN SER 154 16.125 7.336 6.213 1182 HA SER 154 HA SER 154 17.610 8.733 8.197 1183 HB2 SER 154 2HB SER 154 19.727 7.397 6.891 1184 HB3 SER 154 1HB SER 154 19.281 7.305 8.590 1185 HG SER 154 HG SER 154 17.684 5.841 6.889 1186 HA PRO 155 HA PRO 155 19.419 9.471 3.636 1187 HB2 PRO 155 2HB PRO 155 16.881 8.561 2.329 1188 HB3 PRO 155 1HB PRO 155 18.542 8.542 1.699 1189 HG2 PRO 155 2HG PRO 155 17.400 6.329 2.610 1190 HG3 PRO 155 1HG PRO 155 19.117 6.663 2.893 1191 HD2 PRO 155 2HD PRO 155 16.848 6.755 4.806 1192 HD3 PRO 155 1HD PRO 155 18.565 6.430 5.112 1193 H GLY 156 HN GLY 156 19.307 11.625 3.918 1194 HA2 GLY 156 2HA GLY 156 16.653 12.935 3.940 1195 HA3 GLY 156 1HA GLY 156 18.108 13.596 4.677 1196 H SER 157 HN SER 157 16.093 14.172 2.263 1197 HA SER 157 HA SER 157 18.109 15.573 0.698 1198 HB2 SER 157 2HB SER 157 17.960 13.325 -0.363 1199 HB3 SER 157 1HB SER 157 16.239 13.593 -0.625 1200 HG SER 157 HG SER 157 16.821 14.620 -2.356 1201 H ASP 158 HN ASP 158 17.176 17.518 1.202 1202 HA ASP 158 HA ASP 158 14.319 17.884 0.583 1203 HB2 ASP 158 2HB ASP 158 15.981 20.028 1.829 1204 HB3 ASP 158 1HB ASP 158 14.286 19.627 2.092 Start of MODEL 12 1 H1 HIS 1 1HT HIS 1 -15.412 -21.086 -6.202 2 H2 HIS 1 2HT HIS 1 -15.742 -19.525 -6.786 3 H3 HIS 1 3HT HIS 1 -14.685 -19.738 -5.474 4 HA HIS 1 HA HIS 1 -13.062 -20.798 -6.843 5 HB2 HIS 1 2HB HIS 1 -15.026 -20.393 -9.117 6 HB3 HIS 1 1HB HIS 1 -13.455 -21.193 -9.203 7 HD1 HIS 1 1HD HIS 1 -13.341 -23.230 -7.172 8 HD2 HIS 1 2HD HIS 1 -17.007 -22.290 -8.922 9 HE1 HIS 1 1HE HIS 1 -14.857 -25.218 -6.769 10 H HIS 2 HN HIS 2 -13.884 -18.163 -5.876 11 HA HIS 2 HA HIS 2 -12.901 -16.404 -8.033 12 HB2 HIS 2 2HB HIS 2 -14.034 -15.379 -5.458 13 HB3 HIS 2 1HB HIS 2 -14.069 -14.651 -7.062 14 HD1 HIS 2 1HD HIS 2 -15.410 -17.862 -5.473 15 HD2 HIS 2 2HD HIS 2 -16.550 -14.941 -8.219 16 HE1 HIS 2 1HE HIS 2 -17.752 -18.464 -6.229 17 H LEU 3 HN LEU 3 -10.974 -17.928 -6.973 18 HA LEU 3 HA LEU 3 -9.427 -17.762 -4.945 19 HB2 LEU 3 2HB LEU 3 -7.830 -16.470 -7.007 20 HB3 LEU 3 1HB LEU 3 -7.676 -18.080 -6.308 21 HG LEU 3 HG LEU 3 -9.639 -18.782 -7.760 22 HD11 LEU 3 1HD1 LEU 3 -10.706 -17.258 -9.037 23 HD12 LEU 3 2HD1 LEU 3 -9.185 -16.719 -9.744 24 HD13 LEU 3 3HD1 LEU 3 -9.759 -16.004 -8.240 25 HD21 LEU 3 1HD2 LEU 3 -7.422 -19.437 -8.414 26 HD22 LEU 3 2HD2 LEU 3 -7.051 -17.814 -8.997 27 HD23 LEU 3 3HD2 LEU 3 -8.215 -18.816 -9.863 28 H LEU 4 HN LEU 4 -8.807 -16.429 -3.382 29 HA LEU 4 HA LEU 4 -7.836 -13.813 -3.762 30 HB2 LEU 4 2HB LEU 4 -10.684 -13.996 -3.779 31 HB3 LEU 4 1HB LEU 4 -10.219 -13.222 -2.271 32 HG LEU 4 HG LEU 4 -9.149 -12.354 -4.969 33 HD11 LEU 4 1HD1 LEU 4 -11.188 -11.469 -5.342 34 HD12 LEU 4 2HD1 LEU 4 -10.878 -10.397 -3.976 35 HD13 LEU 4 3HD1 LEU 4 -11.746 -11.912 -3.729 36 HD21 LEU 4 1HD2 LEU 4 -8.054 -11.825 -2.594 37 HD22 LEU 4 2HD2 LEU 4 -9.353 -10.636 -2.522 38 HD23 LEU 4 3HD2 LEU 4 -8.181 -10.579 -3.832 39 H ALA 5 HN ALA 5 -6.283 -14.659 -2.369 40 HA ALA 5 HA ALA 5 -5.299 -15.340 -0.392 41 HB1 ALA 5 1HB ALA 5 -6.724 -13.605 1.372 42 HB2 ALA 5 2HB ALA 5 -6.494 -12.792 -0.176 43 HB3 ALA 5 3HB ALA 5 -5.101 -13.417 0.705 44 H SER 6 HN SER 6 -5.516 -17.072 0.843 45 HA SER 6 HA SER 6 -7.946 -18.356 1.394 46 HB2 SER 6 2HB SER 6 -5.236 -18.871 1.892 47 HB3 SER 6 1HB SER 6 -6.006 -18.866 3.474 48 HG SER 6 HG SER 6 -7.177 -20.201 1.286 49 H ASP 7 HN ASP 7 -8.981 -18.661 3.508 50 HA ASP 7 HA ASP 7 -10.032 -16.418 4.619 51 HB2 ASP 7 2HB ASP 7 -9.443 -19.032 6.017 52 HB3 ASP 7 1HB ASP 7 -10.524 -17.786 6.640 53 H GLU 8 HN GLU 8 -7.768 -18.271 6.622 54 HA GLU 8 HA GLU 8 -6.454 -15.750 7.427 55 HB2 GLU 8 2HB GLU 8 -6.430 -16.612 9.767 56 HB3 GLU 8 1HB GLU 8 -8.056 -16.282 9.166 57 HG2 GLU 8 2HG GLU 8 -7.427 -18.954 8.433 58 HG3 GLU 8 1HG GLU 8 -6.975 -18.765 10.127 59 H GLU 9 HN GLU 9 -5.779 -18.128 5.682 60 HA GLU 9 HA GLU 9 -3.318 -18.972 7.081 61 HB2 GLU 9 2HB GLU 9 -4.822 -20.430 4.916 62 HB3 GLU 9 1HB GLU 9 -3.321 -20.973 5.663 63 HG2 GLU 9 2HG GLU 9 -4.347 -21.578 7.619 64 HG3 GLU 9 1HG GLU 9 -5.539 -20.284 7.516 65 H ILE 10 HN ILE 10 -4.652 -17.874 4.067 66 HA ILE 10 HA ILE 10 -3.641 -17.194 2.088 67 HB ILE 10 HB ILE 10 -1.490 -15.904 3.714 68 HG12 ILE 10 2HG1 ILE 10 -4.460 -15.411 3.984 69 HG13 ILE 10 1HG1 ILE 10 -3.258 -15.586 5.264 70 HG21 ILE 10 1HG2 ILE 10 -1.660 -14.236 2.110 71 HG22 ILE 10 2HG2 ILE 10 -3.374 -14.534 1.831 72 HG23 ILE 10 3HG2 ILE 10 -2.170 -15.631 1.160 73 HD11 ILE 10 1HD1 ILE 10 -3.877 -13.208 3.554 74 HD12 ILE 10 2HD1 ILE 10 -2.207 -13.440 4.061 75 HD13 ILE 10 3HD1 ILE 10 -3.477 -13.282 5.270 76 H GLN 11 HN GLN 11 -0.789 -16.584 1.791 77 HA GLN 11 HA GLN 11 0.449 -19.235 2.124 78 HB2 GLN 11 2HB GLN 11 -0.563 -18.383 -0.324 79 HB3 GLN 11 1HB GLN 11 1.155 -17.997 -0.419 80 HG2 GLN 11 2HG GLN 11 1.607 -20.355 0.431 81 HG3 GLN 11 1HG GLN 11 -0.101 -20.688 0.153 82 HE21 GLN 11 1HE2 GLN 11 1.107 -22.302 -1.439 83 HE22 GLN 11 2HE2 GLN 11 1.365 -21.713 -3.010 84 H ASP 12 HN ASP 12 2.149 -18.804 3.376 85 HA ASP 12 HA ASP 12 4.045 -17.818 4.211 86 HB2 ASP 12 2HB ASP 12 4.237 -16.888 1.336 87 HB3 ASP 12 1HB ASP 12 5.504 -16.635 2.534 88 H VAL 13 HN VAL 13 3.967 -16.214 5.627 89 HA VAL 13 HA VAL 13 3.545 -13.481 4.797 90 HB VAL 13 HB VAL 13 1.460 -14.842 6.526 91 HG11 VAL 13 1HG1 VAL 13 2.358 -12.035 6.296 92 HG12 VAL 13 2HG1 VAL 13 1.507 -12.836 7.619 93 HG13 VAL 13 3HG1 VAL 13 0.618 -12.277 6.204 94 HG21 VAL 13 1HG2 VAL 13 -0.041 -13.693 4.793 95 HG22 VAL 13 2HG2 VAL 13 0.858 -15.097 4.231 96 HG23 VAL 13 3HG2 VAL 13 1.412 -13.468 3.829 97 H SER 14 HN SER 14 2.531 -14.543 7.930 98 HA SER 14 HA SER 14 3.716 -13.015 9.661 99 HB2 SER 14 2HB SER 14 3.001 -15.785 9.727 100 HB3 SER 14 1HB SER 14 4.464 -15.548 10.678 101 HG SER 14 HG SER 14 3.114 -13.565 11.404 102 H GLY 15 HN GLY 15 5.599 -11.952 9.289 103 HA2 GLY 15 2HA GLY 15 8.006 -12.797 10.191 104 HA3 GLY 15 1HA GLY 15 8.010 -13.356 8.521 105 H THR 16 HN THR 16 9.074 -12.042 7.250 106 HA THR 16 HA THR 16 8.678 -9.133 7.523 107 HB THR 16 HB THR 16 11.378 -10.205 6.779 108 HG1 THR 16 1HG THR 16 11.487 -10.919 8.750 109 HG21 THR 16 1HG2 THR 16 10.901 -7.701 8.308 110 HG22 THR 16 2HG2 THR 16 10.322 -7.726 6.640 111 HG23 THR 16 3HG2 THR 16 12.028 -8.015 6.989 112 H TRP 17 HN TRP 17 8.655 -7.976 5.655 113 HA TRP 17 HA TRP 17 9.077 -9.390 3.122 114 HB2 TRP 17 2HB TRP 17 6.517 -8.042 3.989 115 HB3 TRP 17 1HB TRP 17 6.887 -8.400 2.306 116 HD1 TRP 17 1HD TRP 17 6.648 -10.330 5.680 117 HE1 TRP 17 1HE TRP 17 5.822 -12.701 5.177 118 HE3 TRP 17 3HE TRP 17 6.376 -10.079 0.620 119 HZ2 TRP 17 2HZ TRP 17 5.136 -14.299 2.899 120 HZ3 TRP 17 3HZ TRP 17 5.630 -12.034 -0.714 121 HH2 TRP 17 2HH TRP 17 5.005 -14.146 0.425 122 H TYR 18 HN TYR 18 8.646 -7.685 1.259 123 HA TYR 18 HA TYR 18 9.664 -5.048 2.106 124 HB2 TYR 18 2HB TYR 18 10.692 -6.762 -0.171 125 HB3 TYR 18 1HB TYR 18 11.089 -5.055 0.037 126 HD1 TYR 18 1HD TYR 18 11.372 -8.423 1.578 127 HD2 TYR 18 2HD TYR 18 12.670 -4.330 1.684 128 HE1 TYR 18 1HE TYR 18 13.160 -9.032 3.185 129 HE2 TYR 18 2HE TYR 18 14.458 -4.939 3.291 130 HH TYR 18 HH TYR 18 14.945 -8.322 4.302 131 H LEU 19 HN LEU 19 9.050 -3.327 0.664 132 HA LEU 19 HA LEU 19 6.733 -3.994 -1.043 133 HB2 LEU 19 2HB LEU 19 6.497 -2.437 1.041 134 HB3 LEU 19 1HB LEU 19 7.318 -1.248 0.032 135 HG LEU 19 HG LEU 19 4.795 -2.735 -0.740 136 HD11 LEU 19 1HD1 LEU 19 3.738 -1.200 0.524 137 HD12 LEU 19 2HD1 LEU 19 4.322 0.025 -0.603 138 HD13 LEU 19 3HD1 LEU 19 5.251 -0.351 0.848 139 HD21 LEU 19 1HD2 LEU 19 5.832 -2.182 -2.772 140 HD22 LEU 19 2HD2 LEU 19 6.550 -0.711 -2.113 141 HD23 LEU 19 3HD2 LEU 19 4.830 -0.769 -2.473 142 H LYS 20 HN LYS 20 7.563 -4.169 -3.115 143 HA LYS 20 HA LYS 20 9.772 -2.478 -3.869 144 HB2 LYS 20 2HB LYS 20 8.266 -4.294 -5.724 145 HB3 LYS 20 1HB LYS 20 9.990 -3.909 -5.694 146 HG2 LYS 20 2HG LYS 20 9.823 -4.989 -3.255 147 HG3 LYS 20 1HG LYS 20 8.448 -5.823 -3.971 148 HD2 LYS 20 2HD LYS 20 11.275 -5.790 -5.078 149 HD3 LYS 20 1HD LYS 20 10.524 -7.137 -4.227 150 HE2 LYS 20 2HE LYS 20 9.962 -6.091 -6.982 151 HE3 LYS 20 1HE LYS 20 10.167 -7.753 -6.437 152 HZ1 LYS 20 1HZ LYS 20 7.850 -7.127 -6.991 153 HZ2 LYS 20 2HZ LYS 20 7.870 -6.059 -5.670 154 HZ3 LYS 20 3HZ LYS 20 8.054 -7.728 -5.419 155 H ALA 21 HN ALA 21 6.830 -3.162 -5.768 156 HA ALA 21 HA ALA 21 6.937 -0.452 -6.819 157 HB1 ALA 21 1HB ALA 21 5.751 -1.264 -8.547 158 HB2 ALA 21 2HB ALA 21 4.599 -2.085 -7.496 159 HB3 ALA 21 3HB ALA 21 6.145 -2.847 -7.873 160 H MET 22 HN MET 22 5.735 1.221 -6.192 161 HA MET 22 HA MET 22 3.400 0.723 -4.470 162 HB2 MET 22 2HB MET 22 5.156 1.452 -2.987 163 HB3 MET 22 1HB MET 22 5.593 2.766 -4.077 164 HG2 MET 22 2HG MET 22 3.756 4.037 -3.511 165 HG3 MET 22 1HG MET 22 2.762 2.629 -3.137 166 HE1 MET 22 1HE MET 22 2.786 5.208 -1.548 167 HE2 MET 22 2HE MET 22 4.501 5.586 -1.696 168 HE3 MET 22 3HE MET 22 3.801 5.312 -0.103 169 H THR 23 HN THR 23 1.788 1.251 -5.815 170 HA THR 23 HA THR 23 1.971 3.384 -7.728 171 HB THR 23 HB THR 23 0.033 1.314 -6.946 172 HG1 THR 23 1HG THR 23 0.842 2.646 -9.296 173 HG21 THR 23 1HG2 THR 23 -1.845 2.565 -8.125 174 HG22 THR 23 2HG2 THR 23 -0.919 4.040 -7.850 175 HG23 THR 23 3HG2 THR 23 -1.487 3.083 -6.481 176 H VAL 24 HN VAL 24 1.925 5.507 -7.172 177 HA VAL 24 HA VAL 24 0.684 6.228 -4.616 178 HB VAL 24 HB VAL 24 2.130 8.158 -6.409 179 HG11 VAL 24 1HG1 VAL 24 0.921 8.675 -4.159 180 HG12 VAL 24 2HG1 VAL 24 2.554 9.298 -4.394 181 HG13 VAL 24 3HG1 VAL 24 2.293 7.850 -3.419 182 HG21 VAL 24 1HG2 VAL 24 4.238 7.435 -5.268 183 HG22 VAL 24 2HG2 VAL 24 3.588 6.215 -6.363 184 HG23 VAL 24 3HG2 VAL 24 3.363 6.049 -4.621 185 H ASP 25 HN ASP 25 0.617 9.005 -6.406 186 HA ASP 25 HA ASP 25 -1.143 10.251 -7.156 187 HB2 ASP 25 2HB ASP 25 -0.525 8.679 -9.086 188 HB3 ASP 25 1HB ASP 25 -1.954 7.755 -8.638 189 H ARG 26 HN ARG 26 -3.714 9.750 -7.826 190 HA ARG 26 HA ARG 26 -5.748 9.813 -6.734 191 HB2 ARG 26 2HB ARG 26 -5.459 7.122 -5.621 192 HB3 ARG 26 1HB ARG 26 -6.626 7.741 -6.781 193 HG2 ARG 26 2HG ARG 26 -3.776 6.926 -7.437 194 HG3 ARG 26 1HG ARG 26 -5.209 5.973 -7.755 195 HD2 ARG 26 2HD ARG 26 -5.317 8.728 -8.820 196 HD3 ARG 26 1HD ARG 26 -4.100 7.691 -9.556 197 HE ARG 26 HE ARG 26 -5.817 6.325 -10.398 198 HH11 ARG 26 1HH1 ARG 26 -7.984 6.035 -11.000 199 HH12 ARG 26 2HH1 ARG 26 -9.216 7.023 -10.289 200 HH21 ARG 26 1HH2 ARG 26 -7.016 8.814 -8.301 201 HH22 ARG 26 2HH2 ARG 26 -8.668 8.594 -8.768 202 H GLU 27 HN GLU 27 -3.274 10.435 -5.052 203 HA GLU 27 HA GLU 27 -4.620 10.155 -2.438 204 HB2 GLU 27 2HB GLU 27 -1.849 9.398 -3.217 205 HB3 GLU 27 1HB GLU 27 -2.069 10.161 -1.641 206 HG2 GLU 27 2HG GLU 27 -3.877 7.912 -2.484 207 HG3 GLU 27 1HG GLU 27 -2.277 7.557 -1.833 208 H PHE 28 HN PHE 28 -3.631 12.185 -4.764 209 HA PHE 28 HA PHE 28 -3.662 14.476 -4.820 210 HB2 PHE 28 2HB PHE 28 -3.392 14.478 -1.806 211 HB3 PHE 28 1HB PHE 28 -3.675 15.868 -2.832 212 HD1 PHE 28 1HD PHE 28 -5.279 13.160 -1.051 213 HD2 PHE 28 2HD PHE 28 -5.707 15.855 -4.376 214 HE1 PHE 28 1HE PHE 28 -7.720 12.750 -1.076 215 HE2 PHE 28 2HE PHE 28 -8.148 15.439 -4.396 216 HZ PHE 28 HZ PHE 28 -9.153 13.889 -2.748 217 HA PRO 29 HA PRO 29 0.844 14.098 -5.401 218 HB2 PRO 29 2HB PRO 29 0.328 16.927 -6.265 219 HB3 PRO 29 1HB PRO 29 1.352 15.689 -7.019 220 HG2 PRO 29 2HG PRO 29 -1.045 16.245 -7.996 221 HG3 PRO 29 1HG PRO 29 -0.438 14.581 -7.949 222 HD2 PRO 29 2HD PRO 29 -2.541 15.862 -6.280 223 HD3 PRO 29 1HD PRO 29 -2.352 14.155 -6.740 224 H GLU 30 HN GLU 30 1.238 14.010 -3.118 225 HA GLU 30 HA GLU 30 2.451 16.442 -2.089 226 HB2 GLU 30 2HB GLU 30 0.227 16.744 -1.227 227 HB3 GLU 30 1HB GLU 30 0.144 15.060 -0.703 228 HG2 GLU 30 2HG GLU 30 1.430 15.431 1.148 229 HG3 GLU 30 1HG GLU 30 2.434 16.632 0.336 230 H MET 31 HN MET 31 1.377 13.795 -0.087 231 HA MET 31 HA MET 31 3.724 13.193 1.148 232 HB2 MET 31 2HB MET 31 2.226 10.771 0.441 233 HB3 MET 31 1HB MET 31 2.585 11.451 2.025 234 HG2 MET 31 2HG MET 31 0.814 13.205 1.566 235 HG3 MET 31 1HG MET 31 0.369 12.273 0.137 236 HE1 MET 31 1HE MET 31 -0.094 11.361 4.539 237 HE2 MET 31 2HE MET 31 1.081 12.391 3.727 238 HE3 MET 31 3HE MET 31 1.393 10.665 3.883 239 H ASN 32 HN ASN 32 5.637 13.000 0.147 240 HA ASN 32 HA ASN 32 5.807 11.283 -2.247 241 HB2 ASN 32 2HB ASN 32 7.465 13.564 -1.215 242 HB3 ASN 32 1HB ASN 32 8.163 12.394 -2.334 243 HD21 ASN 32 1HD2 ASN 32 8.131 14.704 -3.563 244 HD22 ASN 32 2HD2 ASN 32 6.784 14.932 -4.570 245 H LEU 33 HN LEU 33 6.127 9.221 -1.544 246 HA LEU 33 HA LEU 33 7.668 8.590 0.766 247 HB2 LEU 33 2HB LEU 33 5.898 7.091 0.067 248 HB3 LEU 33 1HB LEU 33 6.650 6.877 -1.513 249 HG LEU 33 HG LEU 33 8.553 5.755 -0.519 250 HD11 LEU 33 1HD1 LEU 33 7.278 6.684 2.041 251 HD12 LEU 33 2HD1 LEU 33 8.970 6.778 1.545 252 HD13 LEU 33 3HD1 LEU 33 8.276 5.234 2.037 253 HD21 LEU 33 1HD2 LEU 33 6.573 4.367 -0.961 254 HD22 LEU 33 2HD2 LEU 33 5.948 4.738 0.648 255 HD23 LEU 33 3HD2 LEU 33 7.426 3.790 0.472 256 H GLU 34 HN GLU 34 9.787 8.744 0.897 257 HA GLU 34 HA GLU 34 11.406 8.693 -1.546 258 HB2 GLU 34 2HB GLU 34 11.712 9.784 1.193 259 HB3 GLU 34 1HB GLU 34 13.186 9.260 0.379 260 HG2 GLU 34 2HG GLU 34 12.688 11.646 -0.077 261 HG3 GLU 34 1HG GLU 34 12.655 10.678 -1.550 262 H SER 35 HN SER 35 10.957 6.868 1.445 263 HA SER 35 HA SER 35 12.393 4.621 0.297 264 HB2 SER 35 2HB SER 35 14.247 4.575 1.652 265 HB3 SER 35 1HB SER 35 14.037 6.319 1.527 266 HG SER 35 HG SER 35 13.996 6.134 3.640 267 H VAL 36 HN VAL 36 12.183 2.662 1.645 268 HA VAL 36 HA VAL 36 10.131 2.906 3.724 269 HB VAL 36 HB VAL 36 9.132 2.254 1.521 270 HG11 VAL 36 1HG1 VAL 36 9.645 0.117 0.567 271 HG12 VAL 36 2HG1 VAL 36 10.619 -0.347 1.962 272 HG13 VAL 36 3HG1 VAL 36 11.196 0.904 0.861 273 HG21 VAL 36 1HG2 VAL 36 9.047 0.080 3.639 274 HG22 VAL 36 2HG2 VAL 36 7.784 0.469 2.471 275 HG23 VAL 36 3HG2 VAL 36 8.175 1.608 3.760 276 H THR 37 HN THR 37 10.119 1.279 5.285 277 HA THR 37 HA THR 37 12.709 -0.085 5.554 278 HB THR 37 HB THR 37 12.170 -0.196 7.939 279 HG1 THR 37 1HG THR 37 9.682 0.352 6.938 280 HG21 THR 37 1HG2 THR 37 11.425 2.550 6.945 281 HG22 THR 37 2HG2 THR 37 13.076 1.928 6.865 282 HG23 THR 37 3HG2 THR 37 12.283 2.131 8.427 283 HA PRO 38 HA PRO 38 11.258 -4.233 4.883 284 HB2 PRO 38 2HB PRO 38 11.990 -4.646 7.768 285 HB3 PRO 38 1HB PRO 38 12.336 -5.677 6.364 286 HG2 PRO 38 2HG PRO 38 14.179 -4.046 7.413 287 HG3 PRO 38 1HG PRO 38 14.094 -4.383 5.677 288 HD2 PRO 38 2HD PRO 38 13.466 -1.887 7.110 289 HD3 PRO 38 1HD PRO 38 13.799 -2.136 5.385 290 H MET 39 HN MET 39 9.177 -4.885 4.869 291 HA MET 39 HA MET 39 7.309 -3.808 6.799 292 HB2 MET 39 2HB MET 39 6.723 -3.787 4.440 293 HB3 MET 39 1HB MET 39 6.980 -5.527 4.329 294 HG2 MET 39 2HG MET 39 4.965 -5.988 5.194 295 HG3 MET 39 1HG MET 39 5.100 -4.758 6.447 296 HE1 MET 39 1HE MET 39 3.670 -4.320 2.122 297 HE2 MET 39 2HE MET 39 3.364 -5.741 3.116 298 HE3 MET 39 3HE MET 39 5.021 -5.294 2.718 299 H THR 40 HN THR 40 6.601 -4.875 8.566 300 HA THR 40 HA THR 40 7.309 -7.726 8.778 301 HB THR 40 HB THR 40 6.751 -5.653 10.906 302 HG1 THR 40 1HG THR 40 8.983 -6.306 11.395 303 HG21 THR 40 1HG2 THR 40 7.773 -7.802 12.213 304 HG22 THR 40 2HG2 THR 40 6.827 -8.611 10.964 305 HG23 THR 40 3HG2 THR 40 6.046 -7.482 12.071 306 H LEU 41 HN LEU 41 5.766 -9.222 8.809 307 HA LEU 41 HA LEU 41 2.954 -8.316 9.125 308 HB2 LEU 41 2HB LEU 41 4.145 -10.732 7.727 309 HB3 LEU 41 1HB LEU 41 2.425 -10.545 8.041 310 HG LEU 41 HG LEU 41 3.013 -9.823 5.750 311 HD11 LEU 41 1HD1 LEU 41 1.337 -8.559 7.439 312 HD12 LEU 41 2HD1 LEU 41 1.593 -8.029 5.775 313 HD13 LEU 41 3HD1 LEU 41 2.461 -7.245 7.094 314 HD21 LEU 41 1HD2 LEU 41 5.319 -8.932 6.749 315 HD22 LEU 41 2HD2 LEU 41 4.410 -7.434 6.828 316 HD23 LEU 41 3HD2 LEU 41 4.619 -8.262 5.286 317 H THR 42 HN THR 42 1.835 -9.019 10.835 318 HA THR 42 HA THR 42 2.906 -11.294 12.368 319 HB THR 42 HB THR 42 2.824 -10.142 14.281 320 HG1 THR 42 1HG THR 42 0.306 -9.335 13.339 321 HG21 THR 42 1HG2 THR 42 2.226 -7.784 12.490 322 HG22 THR 42 2HG2 THR 42 3.824 -8.453 12.792 323 HG23 THR 42 3HG2 THR 42 2.918 -7.705 14.105 324 H THR 43 HN THR 43 1.715 -12.730 11.288 325 HA THR 43 HA THR 43 -1.059 -12.582 10.753 326 HB THR 43 HB THR 43 0.389 -15.182 11.220 327 HG1 THR 43 1HG THR 43 1.051 -14.971 9.038 328 HG21 THR 43 1HG2 THR 43 -1.664 -14.410 9.137 329 HG22 THR 43 2HG2 THR 43 -2.114 -15.026 10.729 330 HG23 THR 43 3HG2 THR 43 -1.174 -16.035 9.627 331 H LEU 44 HN LEU 44 -2.722 -12.625 12.075 332 HA LEU 44 HA LEU 44 -2.283 -13.602 14.818 333 HB2 LEU 44 2HB LEU 44 -4.750 -12.204 13.843 334 HB3 LEU 44 1HB LEU 44 -4.187 -12.371 15.493 335 HG LEU 44 HG LEU 44 -2.923 -10.730 13.282 336 HD11 LEU 44 1HD1 LEU 44 -3.897 -8.949 14.279 337 HD12 LEU 44 2HD1 LEU 44 -3.444 -9.508 15.890 338 HD13 LEU 44 3HD1 LEU 44 -4.913 -10.115 15.127 339 HD21 LEU 44 1HD2 LEU 44 -1.356 -10.114 15.261 340 HD22 LEU 44 2HD2 LEU 44 -1.072 -11.639 14.442 341 HD23 LEU 44 3HD2 LEU 44 -1.914 -11.612 15.989 342 H GLU 45 HN GLU 45 -2.387 -15.712 14.724 343 HA GLU 45 HA GLU 45 -3.560 -17.581 13.279 344 HB2 GLU 45 2HB GLU 45 -3.749 -17.494 16.298 345 HB3 GLU 45 1HB GLU 45 -3.988 -18.938 15.313 346 HG2 GLU 45 2HG GLU 45 -1.691 -18.616 14.374 347 HG3 GLU 45 1HG GLU 45 -1.463 -17.274 15.493 348 H GLY 46 HN GLY 46 -5.412 -17.149 12.155 349 HA2 GLY 46 2HA GLY 46 -7.653 -16.709 11.769 350 HA3 GLY 46 1HA GLY 46 -7.886 -17.845 13.099 351 H GLY 47 HN GLY 47 -6.571 -14.524 12.907 352 HA2 GLY 47 2HA GLY 47 -8.757 -13.444 14.450 353 HA3 GLY 47 1HA GLY 47 -7.219 -13.525 15.311 354 H ASN 48 HN ASN 48 -7.254 -13.148 11.905 355 HA ASN 48 HA ASN 48 -7.145 -11.296 10.494 356 HB2 ASN 48 2HB ASN 48 -6.495 -9.547 12.858 357 HB3 ASN 48 1HB ASN 48 -7.049 -9.072 11.266 358 HD21 ASN 48 1HD2 ASN 48 -8.173 -9.584 14.382 359 HD22 ASN 48 2HD2 ASN 48 -9.806 -9.866 14.029 360 H LEU 49 HN LEU 49 -5.393 -9.454 10.055 361 HA LEU 49 HA LEU 49 -2.745 -10.647 10.591 362 HB2 LEU 49 2HB LEU 49 -4.091 -10.603 8.170 363 HB3 LEU 49 1HB LEU 49 -3.038 -9.193 8.067 364 HG LEU 49 HG LEU 49 -2.121 -11.994 8.779 365 HD11 LEU 49 1HD1 LEU 49 -2.842 -11.064 6.283 366 HD12 LEU 49 2HD1 LEU 49 -1.689 -12.362 6.581 367 HD13 LEU 49 3HD1 LEU 49 -1.117 -10.713 6.332 368 HD21 LEU 49 1HD2 LEU 49 -0.578 -10.515 9.791 369 HD22 LEU 49 2HD2 LEU 49 -0.749 -9.320 8.508 370 HD23 LEU 49 3HD2 LEU 49 0.135 -10.813 8.209 371 H GLU 50 HN GLU 50 -1.132 -9.206 11.117 372 HA GLU 50 HA GLU 50 -1.864 -6.340 11.058 373 HB2 GLU 50 2HB GLU 50 -1.738 -7.447 13.356 374 HB3 GLU 50 1HB GLU 50 -0.008 -7.584 13.067 375 HG2 GLU 50 2HG GLU 50 0.129 -5.145 12.692 376 HG3 GLU 50 1HG GLU 50 -1.599 -5.008 13.015 377 H ALA 51 HN ALA 51 -0.546 -5.046 9.980 378 HA ALA 51 HA ALA 51 2.117 -6.102 9.241 379 HB1 ALA 51 1HB ALA 51 0.341 -4.308 7.584 380 HB2 ALA 51 2HB ALA 51 0.509 -6.051 7.361 381 HB3 ALA 51 3HB ALA 51 1.895 -4.990 7.103 382 H LYS 52 HN LYS 52 3.793 -4.931 9.922 383 HA LYS 52 HA LYS 52 3.345 -2.099 10.639 384 HB2 LYS 52 2HB LYS 52 4.617 -4.337 12.063 385 HB3 LYS 52 1HB LYS 52 5.572 -2.859 12.053 386 HG2 LYS 52 2HG LYS 52 2.649 -2.993 12.854 387 HG3 LYS 52 1HG LYS 52 3.986 -3.032 14.000 388 HD2 LYS 52 2HD LYS 52 4.632 -0.819 12.518 389 HD3 LYS 52 1HD LYS 52 2.873 -0.760 12.486 390 HE2 LYS 52 2HE LYS 52 3.545 0.451 14.438 391 HE3 LYS 52 1HE LYS 52 2.930 -1.101 15.005 392 HZ1 LYS 52 1HZ LYS 52 5.110 -0.354 15.975 393 HZ2 LYS 52 2HZ LYS 52 5.799 -0.629 14.448 394 HZ3 LYS 52 3HZ LYS 52 5.100 -1.915 15.309 395 H VAL 53 HN VAL 53 4.347 -0.740 9.282 396 HA VAL 53 HA VAL 53 7.086 -1.357 8.474 397 HB VAL 53 HB VAL 53 5.608 -2.243 6.677 398 HG11 VAL 53 1HG1 VAL 53 4.226 -0.752 5.385 399 HG12 VAL 53 2HG1 VAL 53 4.809 0.651 6.282 400 HG13 VAL 53 3HG1 VAL 53 3.789 -0.548 7.080 401 HG21 VAL 53 1HG2 VAL 53 7.814 -0.457 6.448 402 HG22 VAL 53 2HG2 VAL 53 6.677 -0.029 5.172 403 HG23 VAL 53 3HG2 VAL 53 7.293 -1.677 5.286 404 H THR 54 HN THR 54 8.317 0.429 8.122 405 HA THR 54 HA THR 54 7.050 3.002 8.773 406 HB THR 54 HB THR 54 10.003 2.455 8.864 407 HG1 THR 54 1HG THR 54 8.155 1.281 10.339 408 HG21 THR 54 1HG2 THR 54 10.143 4.463 9.940 409 HG22 THR 54 2HG2 THR 54 8.607 4.237 10.775 410 HG23 THR 54 3HG2 THR 54 8.625 4.769 9.094 411 H MET 55 HN MET 55 6.987 4.558 7.275 412 HA MET 55 HA MET 55 8.580 4.116 4.824 413 HB2 MET 55 2HB MET 55 6.470 5.983 4.392 414 HB3 MET 55 1HB MET 55 6.743 4.437 3.604 415 HG2 MET 55 2HG MET 55 5.672 3.404 5.739 416 HG3 MET 55 1HG MET 55 5.080 5.044 6.038 417 HE1 MET 55 1HE MET 55 3.216 5.849 2.722 418 HE2 MET 55 2HE MET 55 4.971 5.748 2.621 419 HE3 MET 55 3HE MET 55 4.217 6.470 4.041 420 H LEU 56 HN LEU 56 9.469 5.893 3.788 421 HA LEU 56 HA LEU 56 10.040 8.125 5.632 422 HB2 LEU 56 2HB LEU 56 12.026 6.941 4.771 423 HB3 LEU 56 1HB LEU 56 11.501 7.253 3.121 424 HG LEU 56 HG LEU 56 11.658 9.694 3.531 425 HD11 LEU 56 1HD1 LEU 56 13.074 10.177 5.726 426 HD12 LEU 56 2HD1 LEU 56 12.285 8.704 6.290 427 HD13 LEU 56 3HD1 LEU 56 11.315 10.090 5.791 428 HD21 LEU 56 1HD2 LEU 56 13.613 8.628 2.598 429 HD22 LEU 56 2HD2 LEU 56 14.110 8.035 4.182 430 HD23 LEU 56 3HD2 LEU 56 14.171 9.761 3.828 431 H ILE 57 HN ILE 57 8.155 9.271 5.282 432 HA ILE 57 HA ILE 57 7.465 10.033 2.565 433 HB ILE 57 HB ILE 57 6.105 10.446 5.227 434 HG12 ILE 57 2HG1 ILE 57 6.203 8.196 3.804 435 HG13 ILE 57 1HG1 ILE 57 4.719 8.697 4.608 436 HG21 ILE 57 1HG2 ILE 57 5.522 12.368 3.989 437 HG22 ILE 57 2HG2 ILE 57 4.203 11.240 3.682 438 HG23 ILE 57 3HG2 ILE 57 5.464 11.478 2.468 439 HD11 ILE 57 1HD1 ILE 57 3.772 9.510 2.588 440 HD12 ILE 57 2HD1 ILE 57 4.542 7.995 2.129 441 HD13 ILE 57 3HD1 ILE 57 5.332 9.524 1.765 442 H SER 58 HN SER 58 8.237 11.774 1.704 443 HA SER 58 HA SER 58 9.360 13.774 1.468 444 HB2 SER 58 2HB SER 58 7.550 14.794 3.635 445 HB3 SER 58 1HB SER 58 8.078 15.599 2.158 446 HG SER 58 HG SER 58 6.900 13.535 1.259 447 H GLY 59 HN GLY 59 10.919 12.180 3.072 448 HA2 GLY 59 2HA GLY 59 12.819 12.511 4.348 449 HA3 GLY 59 1HA GLY 59 12.297 14.164 4.643 450 H ARG 60 HN ARG 60 9.626 12.647 5.483 451 HA ARG 60 HA ARG 60 10.452 12.446 8.296 452 HB2 ARG 60 2HB ARG 60 7.996 13.263 6.894 453 HB3 ARG 60 1HB ARG 60 7.721 12.244 8.305 454 HG2 ARG 60 2HG ARG 60 7.757 14.626 8.936 455 HG3 ARG 60 1HG ARG 60 9.108 13.764 9.672 456 HD2 ARG 60 2HD ARG 60 9.844 14.741 7.050 457 HD3 ARG 60 1HD ARG 60 9.245 16.058 8.044 458 HE ARG 60 HE ARG 60 10.989 14.673 9.673 459 HH11 ARG 60 1HH1 ARG 60 13.180 15.243 9.838 460 HH12 ARG 60 2HH1 ARG 60 13.946 16.104 8.543 461 HH21 ARG 60 1HH2 ARG 60 11.092 16.218 6.578 462 HH22 ARG 60 2HH2 ARG 60 12.765 16.656 6.698 463 H CYS 61 HN CYS 61 10.361 10.589 9.426 464 HA CYS 61 HA CYS 61 9.757 8.130 7.966 465 HB2 CYS 61 2HB CYS 61 11.630 8.809 9.915 466 HB3 CYS 61 1HB CYS 61 10.456 7.815 10.776 467 H GLN 62 HN GLN 62 7.700 7.498 7.924 468 HA GLN 62 HA GLN 62 6.007 8.019 10.288 469 HB2 GLN 62 2HB GLN 62 5.265 7.515 7.402 470 HB3 GLN 62 1HB GLN 62 4.105 7.704 8.716 471 HG2 GLN 62 2HG GLN 62 6.214 9.781 8.104 472 HG3 GLN 62 1HG GLN 62 4.614 9.814 7.369 473 HE21 GLN 62 1HE2 GLN 62 2.802 9.393 9.253 474 HE22 GLN 62 2HE2 GLN 62 3.002 10.393 10.610 475 H GLU 63 HN GLU 63 5.680 6.353 11.575 476 HA GLU 63 HA GLU 63 6.113 3.621 10.731 477 HB2 GLU 63 2HB GLU 63 6.107 4.991 13.185 478 HB3 GLU 63 1HB GLU 63 4.729 3.893 13.258 479 HG2 GLU 63 2HG GLU 63 6.248 2.044 12.488 480 HG3 GLU 63 1HG GLU 63 7.602 3.163 12.636 481 H VAL 64 HN VAL 64 4.618 2.468 9.673 482 HA VAL 64 HA VAL 64 1.795 3.289 9.939 483 HB VAL 64 HB VAL 64 2.968 1.513 7.809 484 HG11 VAL 64 1HG1 VAL 64 0.974 2.330 6.566 485 HG12 VAL 64 2HG1 VAL 64 0.477 3.233 7.997 486 HG13 VAL 64 3HG1 VAL 64 0.533 1.469 8.041 487 HG21 VAL 64 1HG2 VAL 64 2.847 4.523 8.019 488 HG22 VAL 64 2HG2 VAL 64 2.872 3.710 6.456 489 HG23 VAL 64 3HG2 VAL 64 4.220 3.508 7.575 490 H LYS 65 HN LYS 65 0.234 1.877 10.518 491 HA LYS 65 HA LYS 65 1.001 -0.915 11.102 492 HB2 LYS 65 2HB LYS 65 0.930 0.586 13.177 493 HB3 LYS 65 1HB LYS 65 -0.804 0.720 12.894 494 HG2 LYS 65 2HG LYS 65 -0.781 -1.870 12.800 495 HG3 LYS 65 1HG LYS 65 0.800 -1.740 13.570 496 HD2 LYS 65 2HD LYS 65 -0.555 -1.846 15.447 497 HD3 LYS 65 1HD LYS 65 -0.496 -0.100 15.203 498 HE2 LYS 65 2HE LYS 65 -2.585 -0.628 13.623 499 HE3 LYS 65 1HE LYS 65 -2.738 -2.009 14.708 500 HZ1 LYS 65 1HZ LYS 65 -3.962 -0.007 15.447 501 HZ2 LYS 65 2HZ LYS 65 -2.477 0.802 15.622 502 HZ3 LYS 65 3HZ LYS 65 -2.826 -0.559 16.578 503 H ALA 66 HN ALA 66 -0.131 -1.970 9.596 504 HA ALA 66 HA ALA 66 -2.919 -1.157 9.096 505 HB1 ALA 66 1HB ALA 66 -2.604 -1.667 6.921 506 HB2 ALA 66 2HB ALA 66 -1.749 -3.162 7.305 507 HB3 ALA 66 3HB ALA 66 -0.884 -1.625 7.307 508 H VAL 67 HN VAL 67 -4.374 -2.308 10.163 509 HA VAL 67 HA VAL 67 -3.775 -5.100 10.828 510 HB VAL 67 HB VAL 67 -6.187 -3.721 11.900 511 HG11 VAL 67 1HG1 VAL 67 -4.100 -5.476 13.213 512 HG12 VAL 67 2HG1 VAL 67 -5.492 -6.120 12.344 513 HG13 VAL 67 3HG1 VAL 67 -5.732 -5.138 13.790 514 HG21 VAL 67 1HG2 VAL 67 -3.331 -3.140 12.738 515 HG22 VAL 67 2HG2 VAL 67 -4.730 -2.795 13.752 516 HG23 VAL 67 3HG2 VAL 67 -4.542 -1.976 12.202 517 H LEU 68 HN LEU 68 -4.481 -6.460 9.323 518 HA LEU 68 HA LEU 68 -6.722 -5.723 7.650 519 HB2 LEU 68 2HB LEU 68 -5.137 -8.288 7.606 520 HB3 LEU 68 1HB LEU 68 -6.041 -7.559 6.283 521 HG LEU 68 HG LEU 68 -3.513 -6.475 7.570 522 HD11 LEU 68 1HD1 LEU 68 -4.064 -7.155 4.669 523 HD12 LEU 68 2HD1 LEU 68 -3.447 -8.353 5.810 524 HD13 LEU 68 3HD1 LEU 68 -2.502 -6.908 5.453 525 HD21 LEU 68 1HD2 LEU 68 -5.524 -5.253 5.684 526 HD22 LEU 68 2HD2 LEU 68 -3.832 -4.761 5.628 527 HD23 LEU 68 3HD2 LEU 68 -4.768 -4.534 7.106 528 H GLU 69 HN GLU 69 -8.503 -5.810 9.125 529 HA GLU 69 HA GLU 69 -9.056 -8.128 10.682 530 HB2 GLU 69 2HB GLU 69 -10.976 -5.984 9.759 531 HB3 GLU 69 1HB GLU 69 -11.178 -7.071 11.134 532 HG2 GLU 69 2HG GLU 69 -9.009 -4.968 10.837 533 HG3 GLU 69 1HG GLU 69 -10.414 -4.861 11.895 534 H LYS 70 HN LYS 70 -9.961 -9.993 10.074 535 HA LYS 70 HA LYS 70 -10.544 -10.543 7.351 536 HB2 LYS 70 2HB LYS 70 -9.752 -12.269 8.903 537 HB3 LYS 70 1HB LYS 70 -11.233 -12.110 9.847 538 HG2 LYS 70 2HG LYS 70 -11.847 -12.514 7.041 539 HG3 LYS 70 1HG LYS 70 -10.821 -13.811 7.652 540 HD2 LYS 70 2HD LYS 70 -12.367 -14.139 9.552 541 HD3 LYS 70 1HD LYS 70 -13.401 -12.857 8.922 542 HE2 LYS 70 2HE LYS 70 -13.334 -15.636 8.180 543 HE3 LYS 70 1HE LYS 70 -14.443 -14.381 7.634 544 HZ1 LYS 70 1HZ LYS 70 -11.748 -14.921 6.511 545 HZ2 LYS 70 2HZ LYS 70 -12.810 -13.703 5.988 546 HZ3 LYS 70 3HZ LYS 70 -13.223 -15.339 5.787 547 H THR 71 HN THR 71 -12.418 -10.549 6.240 548 HA THR 71 HA THR 71 -14.835 -9.608 7.657 549 HB THR 71 HB THR 71 -15.590 -8.800 5.462 550 HG1 THR 71 1HG THR 71 -13.397 -8.903 4.058 551 HG21 THR 71 1HG2 THR 71 -14.074 -6.955 5.276 552 HG22 THR 71 2HG2 THR 71 -12.750 -7.894 5.963 553 HG23 THR 71 3HG2 THR 71 -14.107 -7.413 6.979 554 H ASP 72 HN ASP 72 -16.841 -10.261 6.122 555 HA ASP 72 HA ASP 72 -17.075 -13.101 6.426 556 HB2 ASP 72 2HB ASP 72 -18.977 -11.240 4.995 557 HB3 ASP 72 1HB ASP 72 -19.344 -12.811 5.706 558 H GLU 73 HN GLU 73 -15.568 -11.309 4.101 559 HA GLU 73 HA GLU 73 -16.138 -13.320 2.016 560 HB2 GLU 73 2HB GLU 73 -15.041 -10.671 1.240 561 HB3 GLU 73 1HB GLU 73 -16.176 -11.715 0.385 562 HG2 GLU 73 2HG GLU 73 -17.800 -11.161 2.346 563 HG3 GLU 73 1HG GLU 73 -16.716 -9.805 2.649 564 HA PRO 74 HA PRO 74 -11.784 -14.190 2.302 565 HB2 PRO 74 2HB PRO 74 -11.327 -15.430 -0.057 566 HB3 PRO 74 1HB PRO 74 -12.315 -16.169 1.221 567 HG2 PRO 74 2HG PRO 74 -13.183 -14.735 -1.247 568 HG3 PRO 74 1HG PRO 74 -13.820 -16.223 -0.525 569 HD2 PRO 74 2HD PRO 74 -15.009 -13.771 -0.191 570 HD3 PRO 74 1HD PRO 74 -15.124 -15.091 0.995 571 H GLY 75 HN GLY 75 -9.906 -13.128 1.926 572 HA2 GLY 75 2HA GLY 75 -8.310 -11.821 0.902 573 HA3 GLY 75 1HA GLY 75 -9.244 -11.919 -0.581 574 H LYS 76 HN LYS 76 -11.167 -10.877 1.966 575 HA LYS 76 HA LYS 76 -10.802 -8.045 1.193 576 HB2 LYS 76 2HB LYS 76 -12.988 -9.003 0.501 577 HB3 LYS 76 1HB LYS 76 -13.320 -9.404 2.185 578 HG2 LYS 76 2HG LYS 76 -13.157 -7.022 2.801 579 HG3 LYS 76 1HG LYS 76 -12.802 -6.611 1.124 580 HD2 LYS 76 2HD LYS 76 -14.973 -7.108 0.409 581 HD3 LYS 76 1HD LYS 76 -15.293 -8.155 1.794 582 HE2 LYS 76 2HE LYS 76 -15.305 -6.203 3.288 583 HE3 LYS 76 1HE LYS 76 -14.947 -5.144 1.923 584 HZ1 LYS 76 1HZ LYS 76 -17.354 -6.869 2.157 585 HZ2 LYS 76 2HZ LYS 76 -17.015 -5.784 0.895 586 HZ3 LYS 76 3HZ LYS 76 -17.319 -5.202 2.462 587 H TYR 77 HN TYR 77 -9.797 -6.968 2.764 588 HA TYR 77 HA TYR 77 -10.457 -7.664 5.559 589 HB2 TYR 77 2HB TYR 77 -7.841 -6.652 4.450 590 HB3 TYR 77 1HB TYR 77 -8.205 -6.884 6.159 591 HD1 TYR 77 1HD TYR 77 -7.578 -8.565 2.944 592 HD2 TYR 77 2HD TYR 77 -8.433 -9.116 7.112 593 HE1 TYR 77 1HE TYR 77 -6.952 -10.956 2.756 594 HE2 TYR 77 2HE TYR 77 -7.808 -11.508 6.927 595 HH TYR 77 HH TYR 77 -6.127 -12.766 4.309 596 H THR 78 HN THR 78 -10.483 -6.007 7.080 597 HA THR 78 HA THR 78 -10.868 -3.311 5.941 598 HB THR 78 HB THR 78 -12.327 -3.198 8.196 599 HG1 THR 78 1HG THR 78 -11.717 -5.664 8.141 600 HG21 THR 78 1HG2 THR 78 -13.084 -4.203 5.453 601 HG22 THR 78 2HG2 THR 78 -13.265 -2.572 6.108 602 HG23 THR 78 3HG2 THR 78 -14.294 -3.879 6.696 603 H ALA 79 HN ALA 79 -9.970 -1.583 7.109 604 HA ALA 79 HA ALA 79 -8.671 -2.151 9.651 605 HB1 ALA 79 1HB ALA 79 -7.113 -2.756 7.641 606 HB2 ALA 79 2HB ALA 79 -6.465 -1.823 8.991 607 HB3 ALA 79 3HB ALA 79 -6.927 -1.010 7.496 608 H ASP 80 HN ASP 80 -7.628 -0.195 10.554 609 HA ASP 80 HA ASP 80 -7.512 2.061 11.017 610 HB2 ASP 80 2HB ASP 80 -9.297 2.751 8.705 611 HB3 ASP 80 1HB ASP 80 -7.992 3.684 9.428 612 H GLY 81 HN GLY 81 -10.634 0.785 9.911 613 HA2 GLY 81 2HA GLY 81 -11.982 0.938 12.283 614 HA3 GLY 81 1HA GLY 81 -12.163 2.548 11.594 615 H GLY 82 HN GLY 82 -11.850 0.099 9.236 616 HA2 GLY 82 2HA GLY 82 -13.490 -1.191 8.127 617 HA3 GLY 82 1HA GLY 82 -14.737 -0.375 9.065 618 H LYS 83 HN LYS 83 -12.708 2.010 8.093 619 HA LYS 83 HA LYS 83 -14.504 2.799 5.935 620 HB2 LYS 83 2HB LYS 83 -13.485 4.968 6.119 621 HB3 LYS 83 1HB LYS 83 -13.796 4.386 7.754 622 HG2 LYS 83 2HG LYS 83 -11.379 3.441 7.652 623 HG3 LYS 83 1HG LYS 83 -11.163 4.520 6.279 624 HD2 LYS 83 2HD LYS 83 -12.200 5.509 8.950 625 HD3 LYS 83 1HD LYS 83 -10.482 5.437 8.578 626 HE2 LYS 83 2HE LYS 83 -10.589 7.303 7.322 627 HE3 LYS 83 1HE LYS 83 -11.975 6.698 6.418 628 HZ1 LYS 83 1HZ LYS 83 -13.401 7.812 7.706 629 HZ2 LYS 83 2HZ LYS 83 -12.054 8.745 8.156 630 HZ3 LYS 83 3HZ LYS 83 -12.564 7.455 9.137 631 H HIS 84 HN HIS 84 -11.656 1.085 6.253 632 HA HIS 84 HA HIS 84 -10.888 1.671 3.487 633 HB2 HIS 84 2HB HIS 84 -9.301 1.872 5.879 634 HB3 HIS 84 1HB HIS 84 -8.644 0.619 4.823 635 HD1 HIS 84 1HD HIS 84 -9.062 4.286 5.127 636 HD2 HIS 84 2HD HIS 84 -7.958 1.579 2.160 637 HE1 HIS 84 1HE HIS 84 -8.012 5.649 3.264 638 H VAL 85 HN VAL 85 -10.632 -0.061 2.198 639 HA VAL 85 HA VAL 85 -11.002 -2.718 3.438 640 HB VAL 85 HB VAL 85 -11.808 -2.021 0.638 641 HG11 VAL 85 1HG1 VAL 85 -13.114 -4.015 0.787 642 HG12 VAL 85 2HG1 VAL 85 -12.908 -4.099 2.537 643 HG13 VAL 85 3HG1 VAL 85 -11.540 -4.423 1.471 644 HG21 VAL 85 1HG2 VAL 85 -14.155 -2.093 2.028 645 HG22 VAL 85 2HG2 VAL 85 -13.311 -0.603 1.612 646 HG23 VAL 85 3HG2 VAL 85 -13.096 -1.321 3.208 647 H ALA 86 HN ALA 86 -9.016 -3.605 3.454 648 HA ALA 86 HA ALA 86 -7.238 -3.291 1.188 649 HB1 ALA 86 1HB ALA 86 -5.597 -4.501 2.596 650 HB2 ALA 86 2HB ALA 86 -6.826 -4.616 3.859 651 HB3 ALA 86 3HB ALA 86 -6.222 -3.035 3.358 652 H TYR 87 HN TYR 87 -6.465 -4.902 -0.065 653 HA TYR 87 HA TYR 87 -7.719 -7.555 0.230 654 HB2 TYR 87 2HB TYR 87 -7.381 -5.933 -2.304 655 HB3 TYR 87 1HB TYR 87 -7.773 -7.647 -2.292 656 HD1 TYR 87 1HD TYR 87 -8.949 -4.307 -1.140 657 HD2 TYR 87 2HD TYR 87 -9.973 -8.403 -1.909 658 HE1 TYR 87 1HE TYR 87 -11.351 -3.762 -0.847 659 HE2 TYR 87 2HE TYR 87 -12.375 -7.862 -1.610 660 HH TYR 87 HH TYR 87 -13.778 -6.224 -0.617 661 H ILE 88 HN ILE 88 -6.252 -9.156 0.235 662 HA ILE 88 HA ILE 88 -3.493 -8.568 -0.632 663 HB ILE 88 HB ILE 88 -4.122 -10.981 1.000 664 HG12 ILE 88 2HG1 ILE 88 -4.102 -8.145 2.081 665 HG13 ILE 88 1HG1 ILE 88 -5.462 -9.271 2.123 666 HG21 ILE 88 1HG2 ILE 88 -1.923 -10.742 1.704 667 HG22 ILE 88 2HG2 ILE 88 -1.948 -8.986 1.533 668 HG23 ILE 88 3HG2 ILE 88 -1.820 -10.011 0.103 669 HD11 ILE 88 1HD1 ILE 88 -2.942 -9.283 3.732 670 HD12 ILE 88 2HD1 ILE 88 -3.672 -10.835 3.322 671 HD13 ILE 88 3HD1 ILE 88 -4.595 -9.642 4.234 672 H ILE 89 HN ILE 89 -2.971 -9.390 -2.562 673 HA ILE 89 HA ILE 89 -4.233 -11.930 -3.369 674 HB ILE 89 HB ILE 89 -3.086 -10.382 -5.553 675 HG12 ILE 89 2HG1 ILE 89 -3.813 -8.480 -4.120 676 HG13 ILE 89 1HG1 ILE 89 -4.764 -8.605 -5.593 677 HG21 ILE 89 1HG2 ILE 89 -5.406 -10.765 -6.467 678 HG22 ILE 89 2HG2 ILE 89 -5.822 -11.549 -4.950 679 HG23 ILE 89 3HG2 ILE 89 -4.567 -12.238 -5.984 680 HD11 ILE 89 1HD1 ILE 89 -5.744 -8.530 -2.978 681 HD12 ILE 89 2HD1 ILE 89 -5.927 -10.209 -3.475 682 HD13 ILE 89 3HD1 ILE 89 -6.654 -8.922 -4.434 683 H ARG 90 HN ARG 90 -2.972 -13.325 -4.685 684 HA ARG 90 HA ARG 90 -0.132 -13.301 -3.937 685 HB2 ARG 90 2HB ARG 90 -0.699 -15.689 -5.285 686 HB3 ARG 90 1HB ARG 90 -0.540 -15.472 -3.541 687 HG2 ARG 90 2HG ARG 90 -2.926 -14.985 -3.348 688 HG3 ARG 90 1HG ARG 90 -3.113 -15.081 -5.099 689 HD2 ARG 90 2HD ARG 90 -3.434 -17.296 -4.935 690 HD3 ARG 90 1HD ARG 90 -1.819 -17.471 -4.254 691 HE ARG 90 HE ARG 90 -3.357 -16.653 -2.135 692 HH11 ARG 90 1HH1 ARG 90 -4.403 -18.118 -0.748 693 HH12 ARG 90 2HH1 ARG 90 -4.807 -19.704 -1.318 694 HH21 ARG 90 1HH2 ARG 90 -3.501 -19.187 -4.488 695 HH22 ARG 90 2HH2 ARG 90 -4.296 -20.307 -3.436 696 H SER 91 HN SER 91 0.991 -12.124 -5.382 697 HA SER 91 HA SER 91 0.525 -11.479 -7.963 698 HB2 SER 91 2HB SER 91 2.603 -11.030 -6.407 699 HB3 SER 91 1HB SER 91 3.295 -12.386 -7.291 700 HG SER 91 HG SER 91 3.743 -10.456 -8.369 701 H HIS 92 HN HIS 92 1.554 -12.303 -9.981 702 HA HIS 92 HA HIS 92 0.781 -15.040 -10.398 703 HB2 HIS 92 2HB HIS 92 2.155 -13.040 -12.210 704 HB3 HIS 92 1HB HIS 92 1.594 -14.631 -12.722 705 HD1 HIS 92 1HD HIS 92 -0.620 -13.147 -10.227 706 HD2 HIS 92 2HD HIS 92 -0.269 -13.000 -14.379 707 HE1 HIS 92 1HE HIS 92 -2.815 -12.236 -11.099 708 H VAL 93 HN VAL 93 3.485 -13.605 -9.124 709 HA VAL 93 HA VAL 93 5.228 -15.857 -9.941 710 HB VAL 93 HB VAL 93 6.027 -13.066 -9.079 711 HG11 VAL 93 1HG1 VAL 93 8.266 -14.024 -10.072 712 HG12 VAL 93 2HG1 VAL 93 7.541 -15.587 -9.699 713 HG13 VAL 93 3HG1 VAL 93 7.815 -14.413 -8.412 714 HG21 VAL 93 1HG2 VAL 93 6.659 -12.725 -11.385 715 HG22 VAL 93 2HG2 VAL 93 4.990 -13.293 -11.374 716 HG23 VAL 93 3HG2 VAL 93 6.297 -14.404 -11.786 717 H LYS 94 HN LYS 94 6.845 -16.468 -8.273 718 HA LYS 94 HA LYS 94 5.522 -16.808 -5.723 719 HB2 LYS 94 2HB LYS 94 7.241 -18.363 -7.153 720 HB3 LYS 94 1HB LYS 94 8.341 -17.640 -5.979 721 HG2 LYS 94 2HG LYS 94 6.733 -18.310 -4.163 722 HG3 LYS 94 1HG LYS 94 5.802 -19.181 -5.382 723 HD2 LYS 94 2HD LYS 94 7.726 -20.593 -5.899 724 HD3 LYS 94 1HD LYS 94 8.729 -19.681 -4.770 725 HE2 LYS 94 2HE LYS 94 7.797 -21.863 -3.859 726 HE3 LYS 94 1HE LYS 94 7.443 -20.434 -2.887 727 HZ1 LYS 94 1HZ LYS 94 5.522 -21.084 -4.971 728 HZ2 LYS 94 2HZ LYS 94 5.265 -20.517 -3.390 729 HZ3 LYS 94 3HZ LYS 94 5.588 -22.161 -3.663 730 H ASP 95 HN ASP 95 6.506 -16.285 -3.691 731 HA ASP 95 HA ASP 95 7.435 -14.793 -2.185 732 HB2 ASP 95 2HB ASP 95 9.480 -15.057 -4.325 733 HB3 ASP 95 1HB ASP 95 9.647 -13.673 -3.254 734 H HIS 96 HN HIS 96 5.527 -13.942 -4.380 735 HA HIS 96 HA HIS 96 5.948 -11.060 -4.014 736 HB2 HIS 96 2HB HIS 96 5.528 -12.520 -6.590 737 HB3 HIS 96 1HB HIS 96 4.946 -10.862 -6.409 738 HD1 HIS 96 1HD HIS 96 8.161 -12.861 -5.981 739 HD2 HIS 96 2HD HIS 96 6.929 -8.941 -6.685 740 HE1 HIS 96 1HE HIS 96 10.266 -11.509 -6.387 741 H TYR 97 HN TYR 97 4.160 -9.904 -3.519 742 HA TYR 97 HA TYR 97 1.525 -11.147 -3.865 743 HB2 TYR 97 2HB TYR 97 2.857 -10.557 -1.307 744 HB3 TYR 97 1HB TYR 97 1.189 -9.995 -1.435 745 HD1 TYR 97 1HD TYR 97 3.360 -12.965 -2.014 746 HD2 TYR 97 2HD TYR 97 -0.600 -11.523 -1.195 747 HE1 TYR 97 1HE TYR 97 2.568 -15.301 -1.703 748 HE2 TYR 97 2HE TYR 97 -1.392 -13.846 -0.888 749 HH TYR 97 HH TYR 97 -0.708 -15.992 -0.576 750 H ILE 98 HN ILE 98 -0.116 -9.782 -4.276 751 HA ILE 98 HA ILE 98 0.593 -6.970 -4.708 752 HB ILE 98 HB ILE 98 -1.974 -8.327 -5.527 753 HG12 ILE 98 2HG1 ILE 98 -0.056 -9.671 -6.388 754 HG13 ILE 98 1HG1 ILE 98 -0.998 -8.918 -7.666 755 HG21 ILE 98 1HG2 ILE 98 -1.812 -6.611 -7.376 756 HG22 ILE 98 2HG2 ILE 98 -0.453 -5.911 -6.502 757 HG23 ILE 98 3HG2 ILE 98 -2.049 -5.954 -5.757 758 HD11 ILE 98 1HD1 ILE 98 1.060 -7.068 -6.931 759 HD12 ILE 98 2HD1 ILE 98 0.865 -7.944 -8.446 760 HD13 ILE 98 3HD1 ILE 98 1.796 -8.658 -7.136 761 H PHE 99 HN PHE 99 -0.149 -5.431 -3.377 762 HA PHE 99 HA PHE 99 -2.314 -6.178 -1.521 763 HB2 PHE 99 2HB PHE 99 -0.078 -5.844 -0.446 764 HB3 PHE 99 1HB PHE 99 -0.083 -4.194 -1.059 765 HD1 PHE 99 1HD PHE 99 -1.276 -6.421 1.512 766 HD2 PHE 99 2HD PHE 99 -1.961 -2.634 -0.395 767 HE1 PHE 99 1HE PHE 99 -2.661 -5.704 3.444 768 HE2 PHE 99 2HE PHE 99 -3.344 -1.911 1.537 769 HZ PHE 99 HZ PHE 99 -3.692 -3.446 3.457 770 H TYR 100 HN TYR 100 -4.112 -4.992 -1.695 771 HA TYR 100 HA TYR 100 -3.942 -2.355 -3.034 772 HB2 TYR 100 2HB TYR 100 -4.800 -3.866 -4.672 773 HB3 TYR 100 1HB TYR 100 -5.853 -4.649 -3.500 774 HD1 TYR 100 1HD TYR 100 -5.159 -1.221 -4.840 775 HD2 TYR 100 2HD TYR 100 -8.105 -4.046 -3.512 776 HE1 TYR 100 1HE TYR 100 -6.952 0.374 -5.437 777 HE2 TYR 100 2HE TYR 100 -9.905 -2.446 -4.104 778 HH TYR 100 HH TYR 100 -10.385 -0.506 -5.091 779 H SER 101 HN SER 101 -5.485 -0.827 -2.340 780 HA SER 101 HA SER 101 -7.318 -1.544 -0.227 781 HB2 SER 101 2HB SER 101 -6.211 0.354 1.221 782 HB3 SER 101 1HB SER 101 -5.596 -1.293 1.295 783 HG SER 101 HG SER 101 -4.542 0.981 0.042 784 H GLU 102 HN GLU 102 -8.883 -0.039 0.146 785 HA GLU 102 HA GLU 102 -8.743 2.471 -1.374 786 HB2 GLU 102 2HB GLU 102 -11.388 1.684 -1.644 787 HB3 GLU 102 1HB GLU 102 -10.162 1.638 -2.912 788 HG2 GLU 102 2HG GLU 102 -9.560 -0.645 -2.298 789 HG3 GLU 102 1HG GLU 102 -10.700 -0.611 -0.954 790 H GLY 103 HN GLY 103 -10.262 4.056 -0.665 791 HA2 GLY 103 2HA GLY 103 -11.995 3.728 1.537 792 HA3 GLY 103 1HA GLY 103 -10.442 4.299 2.133 793 H GLU 104 HN GLU 104 -11.219 6.302 2.786 794 HA GLU 104 HA GLU 104 -11.729 8.184 0.584 795 HB2 GLU 104 2HB GLU 104 -13.629 7.397 2.603 796 HB3 GLU 104 1HB GLU 104 -13.215 9.099 2.811 797 HG2 GLU 104 2HG GLU 104 -15.084 8.961 1.281 798 HG3 GLU 104 1HG GLU 104 -13.661 9.438 0.359 799 H LEU 105 HN LEU 105 -10.710 10.121 0.809 800 HA LEU 105 HA LEU 105 -9.400 10.704 3.384 801 HB2 LEU 105 2HB LEU 105 -7.812 9.770 1.624 802 HB3 LEU 105 1HB LEU 105 -8.146 11.222 0.684 803 HG LEU 105 HG LEU 105 -7.434 12.600 2.659 804 HD11 LEU 105 1HD1 LEU 105 -5.800 10.894 4.090 805 HD12 LEU 105 2HD1 LEU 105 -7.245 9.915 3.849 806 HD13 LEU 105 3HD1 LEU 105 -7.370 11.487 4.634 807 HD21 LEU 105 1HD2 LEU 105 -4.929 11.612 2.456 808 HD22 LEU 105 2HD2 LEU 105 -5.692 12.545 1.170 809 HD23 LEU 105 3HD2 LEU 105 -5.678 10.783 1.091 810 H HIS 106 HN HIS 106 -10.666 12.337 4.050 811 HA HIS 106 HA HIS 106 -11.461 14.474 4.205 812 HB2 HIS 106 2HB HIS 106 -10.106 15.171 1.611 813 HB3 HIS 106 1HB HIS 106 -10.473 16.218 2.979 814 HD1 HIS 106 1HD HIS 106 -9.392 13.946 5.064 815 HD2 HIS 106 2HD HIS 106 -7.294 15.709 1.923 816 HE1 HIS 106 1HE HIS 106 -6.934 13.703 5.620 817 H GLY 107 HN GLY 107 -12.952 12.405 2.941 818 HA2 GLY 107 2HA GLY 107 -15.061 12.306 1.985 819 HA3 GLY 107 1HA GLY 107 -14.961 14.036 1.673 820 H LYS 108 HN LYS 108 -12.337 12.068 0.600 821 HA LYS 108 HA LYS 108 -13.409 12.075 -2.151 822 HB2 LYS 108 2HB LYS 108 -10.616 12.821 -1.267 823 HB3 LYS 108 1HB LYS 108 -11.106 12.605 -2.946 824 HG2 LYS 108 2HG LYS 108 -12.366 14.587 -1.021 825 HG3 LYS 108 1HG LYS 108 -11.147 15.002 -2.224 826 HD2 LYS 108 2HD LYS 108 -12.917 13.740 -3.826 827 HD3 LYS 108 1HD LYS 108 -14.024 14.340 -2.593 828 HE2 LYS 108 2HE LYS 108 -13.922 16.103 -4.160 829 HE3 LYS 108 1HE LYS 108 -12.806 16.605 -2.889 830 HZ1 LYS 108 1HZ LYS 108 -11.208 15.156 -4.474 831 HZ2 LYS 108 2HZ LYS 108 -11.386 16.842 -4.585 832 HZ3 LYS 108 3HZ LYS 108 -12.265 15.822 -5.620 833 HA PRO 109 HA PRO 109 -12.195 7.778 -1.728 834 HB2 PRO 109 2HB PRO 109 -12.472 6.969 -4.317 835 HB3 PRO 109 1HB PRO 109 -13.851 7.254 -3.240 836 HG2 PRO 109 2HG PRO 109 -12.722 8.994 -5.372 837 HG3 PRO 109 1HG PRO 109 -14.414 8.696 -4.934 838 HD2 PRO 109 2HD PRO 109 -13.041 10.949 -4.176 839 HD3 PRO 109 1HD PRO 109 -14.395 10.266 -3.247 840 H VAL 110 HN VAL 110 -10.309 6.629 -1.839 841 HA VAL 110 HA VAL 110 -8.348 7.287 -3.902 842 HB VAL 110 HB VAL 110 -6.526 7.563 -2.294 843 HG11 VAL 110 1HG1 VAL 110 -7.899 9.522 -3.108 844 HG12 VAL 110 2HG1 VAL 110 -7.086 9.790 -1.567 845 HG13 VAL 110 3HG1 VAL 110 -8.812 9.425 -1.602 846 HG21 VAL 110 1HG2 VAL 110 -7.324 8.035 0.132 847 HG22 VAL 110 2HG2 VAL 110 -7.157 6.353 -0.384 848 HG23 VAL 110 3HG2 VAL 110 -8.753 7.102 -0.321 849 H ARG 111 HN ARG 111 -7.231 5.581 -4.592 850 HA ARG 111 HA ARG 111 -7.227 3.133 -2.963 851 HB2 ARG 111 2HB ARG 111 -7.441 2.615 -5.822 852 HB3 ARG 111 1HB ARG 111 -8.385 1.947 -4.487 853 HG2 ARG 111 2HG ARG 111 -9.700 4.068 -4.413 854 HG3 ARG 111 1HG ARG 111 -8.816 4.628 -5.832 855 HD2 ARG 111 2HD ARG 111 -10.246 3.514 -7.156 856 HD3 ARG 111 1HD ARG 111 -9.755 2.002 -6.399 857 HE ARG 111 HE ARG 111 -11.546 3.056 -4.625 858 HH11 ARG 111 1HH1 ARG 111 -13.779 2.647 -4.726 859 HH12 ARG 111 2HH1 ARG 111 -14.510 2.228 -6.240 860 HH21 ARG 111 1HH2 ARG 111 -11.542 2.403 -8.024 861 HH22 ARG 111 2HH2 ARG 111 -13.243 2.090 -8.107 862 H GLY 112 HN GLY 112 -5.359 1.873 -3.153 863 HA2 GLY 112 2HA GLY 112 -3.358 2.713 -5.129 864 HA3 GLY 112 1HA GLY 112 -2.931 2.807 -3.429 865 H VAL 113 HN VAL 113 -1.739 1.220 -5.529 866 HA VAL 113 HA VAL 113 -2.224 -1.501 -4.481 867 HB VAL 113 HB VAL 113 -0.859 -1.043 -7.104 868 HG11 VAL 113 1HG1 VAL 113 -1.872 -3.178 -7.632 869 HG12 VAL 113 2HG1 VAL 113 -2.886 -3.090 -6.183 870 HG13 VAL 113 3HG1 VAL 113 -1.139 -3.287 -6.025 871 HG21 VAL 113 1HG2 VAL 113 -3.339 -1.275 -8.023 872 HG22 VAL 113 2HG2 VAL 113 -2.652 0.308 -7.652 873 HG23 VAL 113 3HG2 VAL 113 -3.733 -0.473 -6.502 874 H LYS 114 HN LYS 114 -0.488 -2.546 -3.621 875 HA LYS 114 HA LYS 114 2.182 -1.349 -4.055 876 HB2 LYS 114 2HB LYS 114 1.547 -2.646 -1.434 877 HB3 LYS 114 1HB LYS 114 2.733 -1.415 -1.807 878 HG2 LYS 114 2HG LYS 114 -0.239 -0.844 -1.936 879 HG3 LYS 114 1HG LYS 114 0.691 -0.657 -0.455 880 HD2 LYS 114 2HD LYS 114 2.175 0.948 -1.513 881 HD3 LYS 114 1HD LYS 114 1.399 0.694 -3.071 882 HE2 LYS 114 2HE LYS 114 -0.715 1.331 -1.348 883 HE3 LYS 114 1HE LYS 114 0.586 2.421 -0.874 884 HZ1 LYS 114 1HZ LYS 114 -0.944 2.328 -3.320 885 HZ2 LYS 114 2HZ LYS 114 0.730 2.517 -3.549 886 HZ3 LYS 114 3HZ LYS 114 -0.131 3.629 -2.596 887 H LEU 115 HN LEU 115 3.764 -2.791 -4.571 888 HA LEU 115 HA LEU 115 3.001 -5.630 -4.662 889 HB2 LEU 115 2HB LEU 115 3.628 -4.789 -6.827 890 HB3 LEU 115 1HB LEU 115 5.059 -4.007 -6.174 891 HG LEU 115 HG LEU 115 6.072 -6.167 -5.697 892 HD11 LEU 115 1HD1 LEU 115 4.709 -8.188 -6.720 893 HD12 LEU 115 2HD1 LEU 115 3.335 -7.136 -6.391 894 HD13 LEU 115 3HD1 LEU 115 4.389 -7.641 -5.074 895 HD21 LEU 115 1HD2 LEU 115 6.080 -7.125 -8.068 896 HD22 LEU 115 2HD2 LEU 115 6.499 -5.416 -7.928 897 HD23 LEU 115 3HD2 LEU 115 4.886 -5.886 -8.465 898 H VAL 116 HN VAL 116 3.890 -6.965 -3.240 899 HA VAL 116 HA VAL 116 6.363 -6.079 -1.929 900 HB VAL 116 HB VAL 116 5.701 -7.197 0.074 901 HG11 VAL 116 1HG1 VAL 116 3.401 -5.648 -1.151 902 HG12 VAL 116 2HG1 VAL 116 4.713 -4.989 -0.169 903 HG13 VAL 116 3HG1 VAL 116 3.516 -6.061 0.559 904 HG21 VAL 116 1HG2 VAL 116 4.545 -9.129 -0.337 905 HG22 VAL 116 2HG2 VAL 116 3.751 -8.467 -1.754 906 HG23 VAL 116 3HG2 VAL 116 3.144 -8.083 -0.148 907 H GLY 117 HN GLY 117 8.134 -7.314 -2.091 908 HA2 GLY 117 2HA GLY 117 7.815 -9.879 -3.480 909 HA3 GLY 117 1HA GLY 117 9.288 -8.937 -3.379 910 H ARG 118 HN ARG 118 10.732 -10.128 -2.352 911 HA ARG 118 HA ARG 118 10.264 -10.859 0.396 912 HB2 ARG 118 2HB ARG 118 9.419 -12.804 -1.103 913 HB3 ARG 118 1HB ARG 118 11.127 -13.099 -1.416 914 HG2 ARG 118 2HG ARG 118 10.483 -14.481 0.461 915 HG3 ARG 118 1HG ARG 118 11.505 -13.183 1.072 916 HD2 ARG 118 2HD ARG 118 9.834 -12.321 2.334 917 HD3 ARG 118 1HD ARG 118 8.660 -12.461 1.033 918 HE ARG 118 HE ARG 118 8.054 -14.575 1.849 919 HH11 ARG 118 1HH1 ARG 118 8.003 -16.101 3.526 920 HH12 ARG 118 2HH1 ARG 118 9.199 -16.047 4.778 921 HH21 ARG 118 1HH2 ARG 118 10.841 -13.293 3.458 922 HH22 ARG 118 2HH2 ARG 118 10.805 -14.458 4.739 923 H ASP 119 HN ASP 119 12.261 -10.280 -2.326 924 HA ASP 119 HA ASP 119 14.575 -10.054 -0.545 925 HB2 ASP 119 2HB ASP 119 15.758 -11.126 -2.773 926 HB3 ASP 119 1HB ASP 119 15.396 -12.015 -1.294 927 HA PRO 120 HA PRO 120 15.596 -6.280 -2.592 928 HB2 PRO 120 2HB PRO 120 18.185 -7.511 -3.409 929 HB3 PRO 120 1HB PRO 120 17.880 -5.988 -2.556 930 HG2 PRO 120 2HG PRO 120 18.762 -8.256 -1.349 931 HG3 PRO 120 1HG PRO 120 17.849 -6.983 -0.528 932 HD2 PRO 120 2HD PRO 120 17.000 -9.704 -1.196 933 HD3 PRO 120 1HD PRO 120 16.227 -8.515 -0.126 934 H LYS 121 HN LYS 121 16.075 -9.337 -4.228 935 HA LYS 121 HA LYS 121 16.405 -8.313 -6.865 936 HB2 LYS 121 2HB LYS 121 16.093 -10.923 -5.599 937 HB3 LYS 121 1HB LYS 121 15.258 -10.824 -7.151 938 HG2 LYS 121 2HG LYS 121 17.292 -10.060 -8.251 939 HG3 LYS 121 1HG LYS 121 18.142 -10.001 -6.706 940 HD2 LYS 121 2HD LYS 121 16.860 -12.591 -7.373 941 HD3 LYS 121 1HD LYS 121 18.243 -12.139 -8.370 942 HE2 LYS 121 2HE LYS 121 19.690 -12.001 -6.497 943 HE3 LYS 121 1HE LYS 121 18.345 -11.978 -5.357 944 HZ1 LYS 121 1HZ LYS 121 18.454 -14.170 -5.245 945 HZ2 LYS 121 2HZ LYS 121 19.736 -14.192 -6.361 946 HZ3 LYS 121 3HZ LYS 121 18.129 -14.291 -6.905 947 H ASN 122 HN ASN 122 14.915 -8.116 -8.545 948 HA ASN 122 HA ASN 122 12.093 -7.937 -7.682 949 HB2 ASN 122 2HB ASN 122 12.134 -6.362 -9.855 950 HB3 ASN 122 1HB ASN 122 12.475 -5.760 -8.234 951 HD21 ASN 122 1HD2 ASN 122 14.561 -7.750 -10.387 952 HD22 ASN 122 2HD2 ASN 122 15.831 -6.625 -10.438 953 H ASN 123 HN ASN 123 10.494 -8.751 -8.981 954 HA ASN 123 HA ASN 123 11.406 -10.502 -11.182 955 HB2 ASN 123 2HB ASN 123 9.616 -10.917 -8.971 956 HB3 ASN 123 1HB ASN 123 8.743 -11.122 -10.487 957 HD21 ASN 123 1HD2 ASN 123 10.127 -13.035 -8.329 958 HD22 ASN 123 2HD2 ASN 123 10.889 -14.178 -9.326 959 H LEU 124 HN LEU 124 11.289 -9.213 -12.950 960 HA LEU 124 HA LEU 124 9.547 -7.168 -13.521 961 HB2 LEU 124 2HB LEU 124 10.032 -7.581 -15.890 962 HB3 LEU 124 1HB LEU 124 11.496 -7.740 -14.920 963 HG LEU 124 HG LEU 124 10.427 -10.296 -14.858 964 HD11 LEU 124 1HD1 LEU 124 8.796 -9.650 -16.608 965 HD12 LEU 124 2HD1 LEU 124 9.945 -10.845 -17.209 966 HD13 LEU 124 3HD1 LEU 124 10.125 -9.149 -17.651 967 HD21 LEU 124 1HD2 LEU 124 12.786 -9.802 -15.122 968 HD22 LEU 124 2HD2 LEU 124 12.497 -9.048 -16.690 969 HD23 LEU 124 3HD2 LEU 124 12.282 -10.789 -16.495 970 H GLU 125 HN GLU 125 8.947 -10.592 -13.591 971 HA GLU 125 HA GLU 125 6.550 -10.466 -15.146 972 HB2 GLU 125 2HB GLU 125 7.946 -12.500 -13.485 973 HB3 GLU 125 1HB GLU 125 6.211 -12.722 -13.721 974 HG2 GLU 125 2HG GLU 125 6.476 -12.659 -16.134 975 HG3 GLU 125 1HG GLU 125 8.184 -12.258 -15.973 976 H ALA 126 HN ALA 126 7.358 -10.286 -11.743 977 HA ALA 126 HA ALA 126 4.667 -10.315 -10.792 978 HB1 ALA 126 1HB ALA 126 6.697 -10.827 -9.388 979 HB2 ALA 126 2HB ALA 126 5.594 -9.655 -8.667 980 HB3 ALA 126 3HB ALA 126 7.086 -9.107 -9.429 981 H LEU 127 HN LEU 127 6.989 -7.794 -11.717 982 HA LEU 127 HA LEU 127 5.440 -5.596 -10.876 983 HB2 LEU 127 2HB LEU 127 7.856 -6.047 -12.388 984 HB3 LEU 127 1HB LEU 127 6.870 -4.822 -13.181 985 HG LEU 127 HG LEU 127 7.492 -4.758 -10.220 986 HD11 LEU 127 1HD1 LEU 127 9.206 -3.069 -10.790 987 HD12 LEU 127 2HD1 LEU 127 8.919 -3.365 -12.505 988 HD13 LEU 127 3HD1 LEU 127 9.594 -4.640 -11.492 989 HD21 LEU 127 1HD2 LEU 127 5.634 -3.391 -11.760 990 HD22 LEU 127 2HD2 LEU 127 6.998 -2.273 -11.705 991 HD23 LEU 127 3HD2 LEU 127 6.266 -2.846 -10.207 992 H GLU 128 HN GLU 128 5.484 -7.483 -13.857 993 HA GLU 128 HA GLU 128 3.692 -5.776 -15.283 994 HB2 GLU 128 2HB GLU 128 5.234 -7.850 -16.035 995 HB3 GLU 128 1HB GLU 128 3.697 -8.697 -15.849 996 HG2 GLU 128 2HG GLU 128 2.651 -6.859 -17.265 997 HG3 GLU 128 1HG GLU 128 4.291 -6.317 -17.620 998 H ASP 129 HN ASP 129 3.309 -8.674 -13.295 999 HA ASP 129 HA ASP 129 0.532 -8.981 -13.614 1000 HB2 ASP 129 2HB ASP 129 1.556 -10.805 -12.573 1001 HB3 ASP 129 1HB ASP 129 2.483 -9.780 -11.478 1002 H PHE 130 HN PHE 130 2.475 -7.132 -11.332 1003 HA PHE 130 HA PHE 130 0.341 -6.109 -9.787 1004 HB2 PHE 130 2HB PHE 130 2.510 -5.978 -8.870 1005 HB3 PHE 130 1HB PHE 130 3.189 -5.316 -10.351 1006 HD1 PHE 130 1HD PHE 130 1.267 -4.606 -7.331 1007 HD2 PHE 130 2HD PHE 130 2.932 -2.942 -10.914 1008 HE1 PHE 130 1HE PHE 130 0.959 -2.353 -6.423 1009 HE2 PHE 130 2HE PHE 130 2.611 -0.653 -9.995 1010 HZ PHE 130 HZ PHE 130 1.618 -0.358 -7.742 1011 H GLU 131 HN GLU 131 2.199 -4.858 -12.524 1012 HA GLU 131 HA GLU 131 0.802 -2.429 -12.824 1013 HB2 GLU 131 2HB GLU 131 3.042 -3.180 -13.899 1014 HB3 GLU 131 1HB GLU 131 2.023 -3.906 -15.144 1015 HG2 GLU 131 2HG GLU 131 0.901 -1.686 -15.445 1016 HG3 GLU 131 1HG GLU 131 2.056 -0.993 -14.308 1017 H LYS 132 HN LYS 132 -0.166 -5.629 -13.321 1018 HA LYS 132 HA LYS 132 -2.112 -4.972 -15.379 1019 HB2 LYS 132 2HB LYS 132 -0.916 -7.368 -14.391 1020 HB3 LYS 132 1HB LYS 132 -2.649 -7.470 -14.091 1021 HG2 LYS 132 2HG LYS 132 -1.421 -6.730 -16.762 1022 HG3 LYS 132 1HG LYS 132 -1.991 -8.345 -16.343 1023 HD2 LYS 132 2HD LYS 132 -4.137 -7.772 -16.719 1024 HD3 LYS 132 1HD LYS 132 -3.984 -6.334 -15.711 1025 HE2 LYS 132 2HE LYS 132 -3.113 -5.042 -17.538 1026 HE3 LYS 132 1HE LYS 132 -2.921 -6.479 -18.542 1027 HZ1 LYS 132 1HZ LYS 132 -5.217 -4.852 -18.161 1028 HZ2 LYS 132 2HZ LYS 132 -5.558 -6.470 -17.769 1029 HZ3 LYS 132 3HZ LYS 132 -4.947 -6.074 -19.304 1030 H ALA 133 HN ALA 133 -1.839 -5.748 -11.956 1031 HA ALA 133 HA ALA 133 -4.582 -5.612 -11.324 1032 HB1 ALA 133 1HB ALA 133 -3.236 -6.529 -9.625 1033 HB2 ALA 133 2HB ALA 133 -3.656 -4.939 -8.987 1034 HB3 ALA 133 3HB ALA 133 -2.072 -5.207 -9.712 1035 H ALA 134 HN ALA 134 -2.054 -3.121 -11.236 1036 HA ALA 134 HA ALA 134 -3.727 -1.030 -10.388 1037 HB1 ALA 134 1HB ALA 134 -1.689 -0.047 -10.391 1038 HB2 ALA 134 2HB ALA 134 -1.825 0.073 -12.146 1039 HB3 ALA 134 3HB ALA 134 -1.035 -1.323 -11.421 1040 H GLY 135 HN GLY 135 -2.802 -2.254 -13.584 1041 HA2 GLY 135 2HA GLY 135 -4.218 -0.452 -15.154 1042 HA3 GLY 135 1HA GLY 135 -3.921 -2.130 -15.600 1043 H ALA 136 HN ALA 136 -5.265 -3.597 -13.900 1044 HA ALA 136 HA ALA 136 -7.944 -3.448 -14.720 1045 HB1 ALA 136 1HB ALA 136 -6.929 -5.547 -14.028 1046 HB2 ALA 136 2HB ALA 136 -8.325 -5.206 -13.005 1047 HB3 ALA 136 3HB ALA 136 -6.694 -4.920 -12.396 1048 H ARG 137 HN ARG 137 -6.287 -1.763 -12.232 1049 HA ARG 137 HA ARG 137 -8.821 -1.148 -10.856 1050 HB2 ARG 137 2HB ARG 137 -6.010 -1.332 -9.997 1051 HB3 ARG 137 1HB ARG 137 -6.883 0.061 -9.365 1052 HG2 ARG 137 2HG ARG 137 -7.084 -1.939 -7.889 1053 HG3 ARG 137 1HG ARG 137 -8.643 -1.375 -8.490 1054 HD2 ARG 137 2HD ARG 137 -8.997 -3.266 -9.689 1055 HD3 ARG 137 1HD ARG 137 -7.332 -3.327 -10.255 1056 HE ARG 137 HE ARG 137 -7.065 -4.071 -7.677 1057 HH11 ARG 137 1HH1 ARG 137 -7.327 -6.194 -6.904 1058 HH12 ARG 137 2HH1 ARG 137 -8.371 -7.291 -7.745 1059 HH21 ARG 137 1HH2 ARG 137 -9.258 -4.994 -10.187 1060 HH22 ARG 137 2HH2 ARG 137 -9.464 -6.612 -9.604 1061 H GLY 138 HN GLY 138 -7.177 -0.035 -13.404 1062 HA2 GLY 138 2HA GLY 138 -7.307 1.964 -14.556 1063 HA3 GLY 138 1HA GLY 138 -8.388 2.545 -13.291 1064 H LEU 139 HN LEU 139 -5.261 1.251 -12.669 1065 HA LEU 139 HA LEU 139 -4.286 3.923 -11.910 1066 HB2 LEU 139 2HB LEU 139 -3.575 1.267 -10.661 1067 HB3 LEU 139 1HB LEU 139 -3.060 2.855 -10.108 1068 HG LEU 139 HG LEU 139 -5.952 1.966 -10.290 1069 HD11 LEU 139 1HD1 LEU 139 -4.764 0.673 -8.580 1070 HD12 LEU 139 2HD1 LEU 139 -5.858 1.831 -7.825 1071 HD13 LEU 139 3HD1 LEU 139 -4.128 2.161 -7.880 1072 HD21 LEU 139 1HD2 LEU 139 -6.059 3.993 -8.621 1073 HD22 LEU 139 2HD2 LEU 139 -6.011 4.293 -10.358 1074 HD23 LEU 139 3HD2 LEU 139 -4.546 4.463 -9.393 1075 H SER 140 HN SER 140 -4.115 2.823 -14.481 1076 HA SER 140 HA SER 140 -1.393 1.788 -14.756 1077 HB2 SER 140 2HB SER 140 -2.196 0.876 -16.645 1078 HB3 SER 140 1HB SER 140 -3.771 1.555 -16.251 1079 HG SER 140 HG SER 140 -2.714 3.569 -17.204 1080 H THR 141 HN THR 141 -2.144 4.640 -13.873 1081 HA THR 141 HA THR 141 -0.156 5.966 -15.573 1082 HB THR 141 HB THR 141 -2.350 6.463 -16.599 1083 HG1 THR 141 1HG THR 141 -1.588 8.374 -16.968 1084 HG21 THR 141 1HG2 THR 141 -3.212 6.565 -13.951 1085 HG22 THR 141 2HG2 THR 141 -4.157 7.012 -15.371 1086 HG23 THR 141 3HG2 THR 141 -3.259 8.246 -14.484 1087 H GLU 142 HN GLU 142 -0.781 5.063 -12.675 1088 HA GLU 142 HA GLU 142 -0.865 7.353 -11.016 1089 HB2 GLU 142 2HB GLU 142 0.653 5.340 -9.680 1090 HB3 GLU 142 1HB GLU 142 -1.048 5.740 -9.469 1091 HG2 GLU 142 2HG GLU 142 -0.815 3.396 -10.056 1092 HG3 GLU 142 1HG GLU 142 -1.593 4.266 -11.368 1093 H SER 143 HN SER 143 1.403 6.922 -9.320 1094 HA SER 143 HA SER 143 3.451 8.258 -10.953 1095 HB2 SER 143 2HB SER 143 3.792 8.166 -8.028 1096 HB3 SER 143 1HB SER 143 4.009 9.505 -9.150 1097 HG SER 143 HG SER 143 1.985 10.058 -8.885 1098 H ILE 144 HN ILE 144 2.740 5.283 -9.549 1099 HA ILE 144 HA ILE 144 4.092 3.590 -8.650 1100 HB ILE 144 HB ILE 144 3.429 3.384 -11.109 1101 HG12 ILE 144 2HG1 ILE 144 3.900 1.468 -9.724 1102 HG13 ILE 144 1HG1 ILE 144 4.666 1.235 -11.293 1103 HG21 ILE 144 1HG2 ILE 144 5.079 3.403 -12.769 1104 HG22 ILE 144 2HG2 ILE 144 6.392 3.381 -11.596 1105 HG23 ILE 144 3HG2 ILE 144 5.433 4.845 -11.822 1106 HD11 ILE 144 1HD1 ILE 144 6.766 2.278 -10.178 1107 HD12 ILE 144 2HD1 ILE 144 6.345 0.620 -9.771 1108 HD13 ILE 144 3HD1 ILE 144 5.946 1.923 -8.655 1109 H LEU 145 HN LEU 145 5.604 3.814 -7.252 1110 HA LEU 145 HA LEU 145 8.256 4.698 -8.171 1111 HB2 LEU 145 2HB LEU 145 7.328 6.494 -6.853 1112 HB3 LEU 145 1HB LEU 145 6.843 5.377 -5.584 1113 HG LEU 145 HG LEU 145 9.266 4.862 -5.163 1114 HD11 LEU 145 1HD1 LEU 145 10.903 6.540 -6.132 1115 HD12 LEU 145 2HD1 LEU 145 9.638 7.004 -7.272 1116 HD13 LEU 145 3HD1 LEU 145 10.283 5.365 -7.286 1117 HD21 LEU 145 1HD2 LEU 145 9.782 7.037 -4.113 1118 HD22 LEU 145 2HD2 LEU 145 8.102 6.576 -3.842 1119 HD23 LEU 145 3HD2 LEU 145 8.498 7.792 -5.056 1120 H ILE 146 HN ILE 146 9.990 3.637 -7.349 1121 HA ILE 146 HA ILE 146 9.438 1.175 -5.838 1122 HB ILE 146 HB ILE 146 11.877 1.621 -7.534 1123 HG12 ILE 146 2HG1 ILE 146 9.168 0.554 -8.393 1124 HG13 ILE 146 1HG1 ILE 146 9.966 2.001 -9.009 1125 HG21 ILE 146 1HG2 ILE 146 12.086 -0.731 -7.417 1126 HG22 ILE 146 2HG2 ILE 146 10.399 -0.944 -6.945 1127 HG23 ILE 146 3HG2 ILE 146 11.559 -0.280 -5.795 1128 HD11 ILE 146 1HD1 ILE 146 10.572 0.468 -10.641 1129 HD12 ILE 146 2HD1 ILE 146 10.619 -0.879 -9.506 1130 HD13 ILE 146 3HD1 ILE 146 11.930 0.300 -9.530 1131 HA PRO 147 HA PRO 147 12.020 3.920 -3.169 1132 HB2 PRO 147 2HB PRO 147 10.926 3.165 -0.777 1133 HB3 PRO 147 1HB PRO 147 10.261 4.455 -1.797 1134 HG2 PRO 147 2HG PRO 147 9.362 1.659 -1.441 1135 HG3 PRO 147 1HG PRO 147 8.410 3.127 -1.713 1136 HD2 PRO 147 2HD PRO 147 8.972 1.258 -3.651 1137 HD3 PRO 147 1HD PRO 147 8.570 2.951 -4.002 1138 H ARG 148 HN ARG 148 13.988 3.219 -2.832 1139 HA ARG 148 HA ARG 148 14.941 0.662 -2.815 1140 HB2 ARG 148 2HB ARG 148 16.913 1.551 -1.545 1141 HB3 ARG 148 1HB ARG 148 16.465 2.524 -2.944 1142 HG2 ARG 148 2HG ARG 148 15.074 3.308 -0.474 1143 HG3 ARG 148 1HG ARG 148 16.824 3.503 -0.391 1144 HD2 ARG 148 2HD ARG 148 15.233 4.498 -2.753 1145 HD3 ARG 148 1HD ARG 148 15.462 5.485 -1.313 1146 HE ARG 148 HE ARG 148 17.981 4.548 -2.132 1147 HH11 ARG 148 1HH1 ARG 148 19.339 5.924 -3.328 1148 HH12 ARG 148 2HH1 ARG 148 18.662 7.265 -4.188 1149 HH21 ARG 148 1HH2 ARG 148 15.405 6.591 -3.206 1150 HH22 ARG 148 2HH2 ARG 148 16.434 7.643 -4.121 1151 H GLN 149 HN GLN 149 16.129 -0.383 -0.893 1152 HA GLN 149 HA GLN 149 14.158 -0.699 1.277 1153 HB2 GLN 149 2HB GLN 149 16.449 -2.571 0.716 1154 HB3 GLN 149 1HB GLN 149 14.934 -2.903 1.554 1155 HG2 GLN 149 2HG GLN 149 15.255 -2.315 -1.404 1156 HG3 GLN 149 1HG GLN 149 14.858 -3.876 -0.687 1157 HE21 GLN 149 1HE2 GLN 149 13.168 -2.354 -2.581 1158 HE22 GLN 149 2HE2 GLN 149 11.719 -2.021 -1.761 1159 H SER 150 HN SER 150 14.611 0.265 3.133 1160 HA SER 150 HA SER 150 17.445 0.551 3.942 1161 HB2 SER 150 2HB SER 150 16.314 2.711 3.256 1162 HB3 SER 150 1HB SER 150 15.232 2.490 4.627 1163 HG SER 150 HG SER 150 16.874 2.799 5.991 1164 H GLU 151 HN GLU 151 17.536 -1.187 5.318 1165 HA GLU 151 HA GLU 151 15.754 -2.336 6.951 1166 HB2 GLU 151 2HB GLU 151 17.790 -2.415 8.658 1167 HB3 GLU 151 1HB GLU 151 17.814 -3.322 7.146 1168 HG2 GLU 151 2HG GLU 151 18.803 -0.494 7.140 1169 HG3 GLU 151 1HG GLU 151 19.845 -1.755 7.800 1170 H THR 152 HN THR 152 16.892 0.919 7.294 1171 HA THR 152 HA THR 152 14.970 1.453 9.352 1172 HB THR 152 HB THR 152 16.477 0.751 10.975 1173 HG1 THR 152 1HG THR 152 17.853 3.008 11.067 1174 HG21 THR 152 1HG2 THR 152 18.349 0.012 9.807 1175 HG22 THR 152 2HG2 THR 152 19.005 1.418 10.643 1176 HG23 THR 152 3HG2 THR 152 18.540 1.539 8.946 1177 H CYS 153 HN CYS 153 14.610 3.689 9.570 1178 HA CYS 153 HA CYS 153 14.858 5.295 7.421 1179 HB2 CYS 153 2HB CYS 153 13.994 5.621 10.056 1180 HB3 CYS 153 1HB CYS 153 15.211 6.878 9.826 1181 H SER 154 HN SER 154 16.117 7.285 7.166 1182 HA SER 154 HA SER 154 18.689 7.575 8.305 1183 HB2 SER 154 2HB SER 154 19.220 7.081 5.502 1184 HB3 SER 154 1HB SER 154 20.009 6.396 6.920 1185 HG SER 154 HG SER 154 17.444 5.551 6.094 1186 HA PRO 155 HA PRO 155 17.886 11.562 6.618 1187 HB2 PRO 155 2HB PRO 155 20.423 12.580 6.338 1188 HB3 PRO 155 1HB PRO 155 19.593 12.417 7.898 1189 HG2 PRO 155 2HG PRO 155 21.667 10.676 6.665 1190 HG3 PRO 155 1HG PRO 155 21.454 11.158 8.357 1191 HD2 PRO 155 2HD PRO 155 20.691 8.703 7.407 1192 HD3 PRO 155 1HD PRO 155 19.888 9.506 8.772 1193 H GLY 156 HN GLY 156 20.696 10.070 4.968 1194 HA2 GLY 156 2HA GLY 156 21.072 9.698 2.716 1195 HA3 GLY 156 1HA GLY 156 19.423 10.230 2.395 1196 H SER 157 HN SER 157 20.028 12.730 3.992 1197 HA SER 157 HA SER 157 20.455 14.924 3.409 1198 HB2 SER 157 2HB SER 157 23.065 14.132 2.232 1199 HB3 SER 157 1HB SER 157 22.697 15.376 3.423 1200 HG SER 157 HG SER 157 23.768 13.180 4.000 1201 H ASP 158 HN ASP 158 21.674 16.249 1.479 1202 HA ASP 158 HA ASP 158 20.230 15.412 -0.946 1203 HB2 ASP 158 2HB ASP 158 19.632 17.617 -0.219 1204 HB3 ASP 158 1HB ASP 158 21.325 18.082 -0.050 Start of MODEL 13 1 H1 HIS 1 1HT HIS 1 -13.782 -22.216 -6.395 2 H2 HIS 1 2HT HIS 1 -12.321 -21.985 -5.559 3 H3 HIS 1 3HT HIS 1 -12.682 -23.498 -6.242 4 HA HIS 1 HA HIS 1 -11.189 -22.601 -7.748 5 HB2 HIS 1 2HB HIS 1 -13.998 -22.689 -8.437 6 HB3 HIS 1 1HB HIS 1 -13.168 -21.468 -9.405 7 HD1 HIS 1 1HD HIS 1 -13.570 -25.110 -9.014 8 HD2 HIS 1 2HD HIS 1 -10.867 -22.544 -10.884 9 HE1 HIS 1 1HE HIS 1 -12.229 -26.532 -10.626 10 H HIS 2 HN HIS 2 -13.030 -20.331 -6.009 11 HA HIS 2 HA HIS 2 -12.437 -17.948 -7.415 12 HB2 HIS 2 2HB HIS 2 -12.810 -16.887 -5.115 13 HB3 HIS 2 1HB HIS 2 -14.147 -17.823 -5.780 14 HD1 HIS 2 1HD HIS 2 -14.710 -20.084 -4.656 15 HD2 HIS 2 2HD HIS 2 -11.491 -18.107 -2.891 16 HE1 HIS 2 1HE HIS 2 -14.239 -21.285 -2.476 17 H LEU 3 HN LEU 3 -10.686 -16.646 -7.431 18 HA LEU 3 HA LEU 3 -8.332 -17.538 -5.885 19 HB2 LEU 3 2HB LEU 3 -8.703 -16.804 -8.640 20 HB3 LEU 3 1HB LEU 3 -7.551 -15.703 -7.882 21 HG LEU 3 HG LEU 3 -7.396 -18.723 -7.680 22 HD11 LEU 3 1HD1 LEU 3 -7.004 -18.067 -9.987 23 HD12 LEU 3 2HD1 LEU 3 -5.453 -18.453 -9.244 24 HD13 LEU 3 3HD1 LEU 3 -5.925 -16.769 -9.474 25 HD21 LEU 3 1HD2 LEU 3 -4.940 -17.267 -7.270 26 HD22 LEU 3 2HD2 LEU 3 -5.782 -18.340 -6.153 27 HD23 LEU 3 3HD2 LEU 3 -6.189 -16.625 -6.203 28 H LEU 4 HN LEU 4 -8.398 -16.386 -4.020 29 HA LEU 4 HA LEU 4 -7.616 -13.685 -4.049 30 HB2 LEU 4 2HB LEU 4 -10.333 -13.887 -4.474 31 HB3 LEU 4 1HB LEU 4 -10.268 -13.698 -2.735 32 HG LEU 4 HG LEU 4 -10.421 -11.490 -3.510 33 HD11 LEU 4 1HD1 LEU 4 -8.574 -10.495 -2.633 34 HD12 LEU 4 2HD1 LEU 4 -7.470 -11.417 -3.645 35 HD13 LEU 4 3HD1 LEU 4 -8.136 -12.138 -2.191 36 HD21 LEU 4 1HD2 LEU 4 -10.113 -12.035 -5.897 37 HD22 LEU 4 2HD2 LEU 4 -8.374 -12.165 -5.638 38 HD23 LEU 4 3HD2 LEU 4 -9.183 -10.612 -5.429 39 H ALA 5 HN ALA 5 -6.086 -14.768 -2.721 40 HA ALA 5 HA ALA 5 -5.178 -15.607 -0.775 41 HB1 ALA 5 1HB ALA 5 -5.038 -13.698 0.363 42 HB2 ALA 5 2HB ALA 5 -6.551 -14.124 1.161 43 HB3 ALA 5 3HB ALA 5 -6.574 -13.133 -0.297 44 H SER 6 HN SER 6 -5.424 -17.453 0.276 45 HA SER 6 HA SER 6 -7.811 -18.864 0.582 46 HB2 SER 6 2HB SER 6 -5.119 -19.000 1.864 47 HB3 SER 6 1HB SER 6 -6.435 -19.894 2.619 48 HG SER 6 HG SER 6 -5.068 -20.404 0.329 49 H ASP 7 HN ASP 7 -9.489 -18.745 2.017 50 HA ASP 7 HA ASP 7 -9.822 -16.488 3.654 51 HB2 ASP 7 2HB ASP 7 -11.484 -18.513 4.681 52 HB3 ASP 7 1HB ASP 7 -11.915 -17.259 3.522 53 H GLU 8 HN GLU 8 -9.583 -19.863 4.795 54 HA GLU 8 HA GLU 8 -9.237 -19.396 7.473 55 HB2 GLU 8 2HB GLU 8 -7.948 -21.507 5.733 56 HB3 GLU 8 1HB GLU 8 -7.876 -21.523 7.495 57 HG2 GLU 8 2HG GLU 8 -10.308 -21.602 7.637 58 HG3 GLU 8 1HG GLU 8 -10.445 -21.455 5.886 59 H GLU 9 HN GLU 9 -6.349 -20.553 5.893 60 HA GLU 9 HA GLU 9 -4.833 -18.275 7.033 61 HB2 GLU 9 2HB GLU 9 -4.161 -21.213 6.912 62 HB3 GLU 9 1HB GLU 9 -2.931 -19.977 7.175 63 HG2 GLU 9 2HG GLU 9 -5.365 -19.773 8.863 64 HG3 GLU 9 1HG GLU 9 -4.301 -21.138 9.198 65 H ILE 10 HN ILE 10 -2.785 -17.809 5.923 66 HA ILE 10 HA ILE 10 -3.038 -18.242 3.013 67 HB ILE 10 HB ILE 10 -1.286 -16.176 4.312 68 HG12 ILE 10 2HG1 ILE 10 -4.226 -15.885 3.630 69 HG13 ILE 10 1HG1 ILE 10 -3.532 -15.838 5.253 70 HG21 ILE 10 1HG2 ILE 10 -2.778 -15.663 1.811 71 HG22 ILE 10 2HG2 ILE 10 -1.575 -16.946 1.716 72 HG23 ILE 10 3HG2 ILE 10 -1.094 -15.324 2.207 73 HD11 ILE 10 1HD1 ILE 10 -3.261 -13.824 3.028 74 HD12 ILE 10 2HD1 ILE 10 -2.023 -13.932 4.282 75 HD13 ILE 10 3HD1 ILE 10 -3.692 -13.558 4.719 76 H GLN 11 HN GLN 11 -1.080 -18.667 1.811 77 HA GLN 11 HA GLN 11 0.930 -20.110 3.424 78 HB2 GLN 11 2HB GLN 11 -0.554 -21.109 1.417 79 HB3 GLN 11 1HB GLN 11 0.810 -20.493 0.484 80 HG2 GLN 11 2HG GLN 11 0.917 -22.439 2.803 81 HG3 GLN 11 1HG GLN 11 1.312 -22.772 1.118 82 HE21 GLN 11 1HE2 GLN 11 3.421 -22.225 0.383 83 HE22 GLN 11 2HE2 GLN 11 4.598 -21.516 1.379 84 H ASP 12 HN ASP 12 1.138 -17.288 3.209 85 HA ASP 12 HA ASP 12 3.816 -17.057 2.293 86 HB2 ASP 12 2HB ASP 12 1.642 -16.287 0.428 87 HB3 ASP 12 1HB ASP 12 3.001 -15.171 0.561 88 H VAL 13 HN VAL 13 3.477 -16.403 4.609 89 HA VAL 13 HA VAL 13 3.938 -13.689 4.987 90 HB VAL 13 HB VAL 13 1.696 -13.375 6.422 91 HG11 VAL 13 1HG1 VAL 13 1.362 -11.678 4.990 92 HG12 VAL 13 2HG1 VAL 13 0.915 -12.788 3.704 93 HG13 VAL 13 3HG1 VAL 13 2.601 -12.346 3.936 94 HG21 VAL 13 1HG2 VAL 13 -0.161 -14.507 5.683 95 HG22 VAL 13 2HG2 VAL 13 1.060 -15.745 5.385 96 HG23 VAL 13 3HG2 VAL 13 0.489 -14.728 4.060 97 H SER 14 HN SER 14 4.372 -13.176 7.181 98 HA SER 14 HA SER 14 3.831 -15.037 9.287 99 HB2 SER 14 2HB SER 14 5.502 -16.471 8.708 100 HB3 SER 14 1HB SER 14 6.367 -15.253 7.775 101 HG SER 14 HG SER 14 6.929 -14.300 9.837 102 H GLY 15 HN GLY 15 6.665 -13.031 8.612 103 HA2 GLY 15 2HA GLY 15 5.841 -11.195 10.745 104 HA3 GLY 15 1HA GLY 15 7.450 -11.899 10.727 105 H THR 16 HN THR 16 8.869 -11.329 8.748 106 HA THR 16 HA THR 16 8.352 -8.526 8.079 107 HB THR 16 HB THR 16 10.953 -9.950 7.703 108 HG1 THR 16 1HG THR 16 10.302 -10.253 9.850 109 HG21 THR 16 1HG2 THR 16 11.833 -7.827 7.517 110 HG22 THR 16 2HG2 THR 16 10.615 -7.116 8.576 111 HG23 THR 16 3HG2 THR 16 10.209 -7.512 6.906 112 H TRP 17 HN TRP 17 8.334 -7.714 6.071 113 HA TRP 17 HA TRP 17 8.909 -9.471 3.796 114 HB2 TRP 17 2HB TRP 17 6.295 -8.128 4.380 115 HB3 TRP 17 1HB TRP 17 6.804 -8.374 2.709 116 HD1 TRP 17 1HD TRP 17 6.266 -10.398 5.945 117 HE1 TRP 17 1HE TRP 17 5.568 -12.793 5.297 118 HE3 TRP 17 3HE TRP 17 6.670 -10.099 0.852 119 HZ2 TRP 17 2HZ TRP 17 5.224 -14.371 2.937 120 HZ3 TRP 17 3HZ TRP 17 6.146 -12.060 -0.564 121 HH2 TRP 17 2HH TRP 17 5.427 -14.197 0.471 122 H TYR 18 HN TYR 18 8.792 -8.110 1.685 123 HA TYR 18 HA TYR 18 9.958 -5.458 2.256 124 HB2 TYR 18 2HB TYR 18 10.728 -7.578 0.256 125 HB3 TYR 18 1HB TYR 18 11.148 -5.886 -0.001 126 HD1 TYR 18 1HD TYR 18 11.210 -8.411 2.772 127 HD2 TYR 18 2HD TYR 18 13.228 -5.178 0.804 128 HE1 TYR 18 1HE TYR 18 13.122 -8.662 4.328 129 HE2 TYR 18 2HE TYR 18 15.141 -5.426 2.357 130 HH TYR 18 HH TYR 18 15.020 -7.694 5.074 131 H LEU 19 HN LEU 19 9.254 -3.771 1.011 132 HA LEU 19 HA LEU 19 6.929 -4.313 -0.732 133 HB2 LEU 19 2HB LEU 19 6.363 -2.829 1.101 134 HB3 LEU 19 1HB LEU 19 7.779 -1.826 0.784 135 HG LEU 19 HG LEU 19 6.049 -2.208 -1.565 136 HD11 LEU 19 1HD1 LEU 19 4.234 -2.124 -0.013 137 HD12 LEU 19 2HD1 LEU 19 4.394 -0.490 -0.655 138 HD13 LEU 19 3HD1 LEU 19 5.023 -0.872 0.947 139 HD21 LEU 19 1HD2 LEU 19 8.017 -0.597 -1.226 140 HD22 LEU 19 2HD2 LEU 19 6.936 0.342 -0.197 141 HD23 LEU 19 3HD2 LEU 19 6.548 0.103 -1.899 142 H LYS 20 HN LYS 20 7.165 -3.927 -2.824 143 HA LYS 20 HA LYS 20 9.682 -2.639 -3.682 144 HB2 LYS 20 2HB LYS 20 8.034 -4.503 -5.365 145 HB3 LYS 20 1HB LYS 20 9.755 -4.123 -5.485 146 HG2 LYS 20 2HG LYS 20 9.735 -5.069 -2.966 147 HG3 LYS 20 1HG LYS 20 8.350 -5.962 -3.585 148 HD2 LYS 20 2HD LYS 20 11.113 -5.921 -4.835 149 HD3 LYS 20 1HD LYS 20 10.454 -7.234 -3.862 150 HE2 LYS 20 2HE LYS 20 9.269 -6.236 -6.471 151 HE3 LYS 20 1HE LYS 20 10.234 -7.695 -6.285 152 HZ1 LYS 20 1HZ LYS 20 8.571 -8.784 -5.241 153 HZ2 LYS 20 2HZ LYS 20 7.612 -7.718 -6.151 154 HZ3 LYS 20 3HZ LYS 20 7.937 -7.391 -4.518 155 H ALA 21 HN ALA 21 6.791 -3.282 -5.626 156 HA ALA 21 HA ALA 21 6.854 -0.536 -6.585 157 HB1 ALA 21 1HB ALA 21 5.863 -1.392 -8.409 158 HB2 ALA 21 2HB ALA 21 4.587 -2.143 -7.449 159 HB3 ALA 21 3HB ALA 21 6.122 -2.982 -7.686 160 H MET 22 HN MET 22 5.389 1.066 -6.105 161 HA MET 22 HA MET 22 3.055 0.349 -4.474 162 HB2 MET 22 2HB MET 22 4.532 0.919 -2.755 163 HB3 MET 22 1HB MET 22 5.291 2.197 -3.699 164 HG2 MET 22 2HG MET 22 3.558 3.692 -3.314 165 HG3 MET 22 1HG MET 22 2.372 2.419 -3.039 166 HE1 MET 22 1HE MET 22 3.407 4.909 0.142 167 HE2 MET 22 2HE MET 22 2.288 4.802 -1.214 168 HE3 MET 22 3HE MET 22 3.979 5.198 -1.509 169 H THR 23 HN THR 23 1.436 0.990 -5.692 170 HA THR 23 HA THR 23 1.502 3.233 -7.492 171 HB THR 23 HB THR 23 -1.182 2.605 -7.009 172 HG1 THR 23 1HG THR 23 -1.264 0.473 -6.718 173 HG21 THR 23 1HG2 THR 23 -1.126 1.530 -9.140 174 HG22 THR 23 2HG2 THR 23 0.604 1.207 -9.003 175 HG23 THR 23 3HG2 THR 23 0.025 2.858 -9.214 176 H VAL 24 HN VAL 24 0.887 5.361 -7.106 177 HA VAL 24 HA VAL 24 -0.624 5.902 -4.639 178 HB VAL 24 HB VAL 24 1.351 7.931 -4.836 179 HG11 VAL 24 1HG1 VAL 24 1.939 7.051 -2.570 180 HG12 VAL 24 2HG1 VAL 24 0.890 5.666 -2.873 181 HG13 VAL 24 3HG1 VAL 24 0.205 7.288 -2.787 182 HG21 VAL 24 1HG2 VAL 24 2.500 5.128 -4.743 183 HG22 VAL 24 2HG2 VAL 24 3.403 6.623 -4.520 184 HG23 VAL 24 3HG2 VAL 24 2.690 6.247 -6.087 185 H ASP 25 HN ASP 25 -2.374 6.866 -5.425 186 HA ASP 25 HA ASP 25 -2.947 8.121 -7.710 187 HB2 ASP 25 2HB ASP 25 -4.190 7.993 -5.292 188 HB3 ASP 25 1HB ASP 25 -3.835 9.716 -5.391 189 H ARG 26 HN ARG 26 -2.925 10.268 -8.528 190 HA ARG 26 HA ARG 26 -0.609 11.838 -7.594 191 HB2 ARG 26 2HB ARG 26 -0.608 12.787 -9.902 192 HB3 ARG 26 1HB ARG 26 -0.321 11.048 -9.857 193 HG2 ARG 26 2HG ARG 26 -2.818 10.745 -10.248 194 HG3 ARG 26 1HG ARG 26 -2.891 12.476 -10.577 195 HD2 ARG 26 2HD ARG 26 -0.733 11.604 -12.099 196 HD3 ARG 26 1HD ARG 26 -1.909 10.306 -12.265 197 HE ARG 26 HE ARG 26 -2.178 13.030 -13.251 198 HH11 ARG 26 1HH1 ARG 26 -4.003 13.397 -14.550 199 HH12 ARG 26 2HH1 ARG 26 -5.269 12.215 -14.609 200 HH21 ARG 26 1HH2 ARG 26 -3.706 10.042 -12.406 201 HH22 ARG 26 2HH2 ARG 26 -5.101 10.317 -13.397 202 H GLU 27 HN GLU 27 -3.182 12.056 -6.346 203 HA GLU 27 HA GLU 27 -4.252 14.604 -7.331 204 HB2 GLU 27 2HB GLU 27 -5.326 12.353 -5.893 205 HB3 GLU 27 1HB GLU 27 -5.544 13.819 -4.936 206 HG2 GLU 27 2HG GLU 27 -7.456 13.504 -6.442 207 HG3 GLU 27 1HG GLU 27 -6.547 14.942 -6.905 208 H PHE 28 HN PHE 28 -2.466 13.177 -4.690 209 HA PHE 28 HA PHE 28 -2.150 15.848 -3.449 210 HB2 PHE 28 2HB PHE 28 -1.848 13.106 -2.205 211 HB3 PHE 28 1HB PHE 28 -1.601 14.640 -1.374 212 HD1 PHE 28 1HD PHE 28 -3.943 12.098 -1.959 213 HD2 PHE 28 2HD PHE 28 -3.636 16.380 -1.730 214 HE1 PHE 28 1HE PHE 28 -6.372 12.250 -1.493 215 HE2 PHE 28 2HE PHE 28 -6.066 16.527 -1.265 216 HZ PHE 28 HZ PHE 28 -7.434 14.463 -1.146 217 HA PRO 29 HA PRO 29 2.008 14.669 -5.074 218 HB2 PRO 29 2HB PRO 29 2.653 17.057 -6.194 219 HB3 PRO 29 1HB PRO 29 1.662 15.844 -7.026 220 HG2 PRO 29 2HG PRO 29 0.848 18.357 -5.688 221 HG3 PRO 29 1HG PRO 29 0.168 17.561 -7.116 222 HD2 PRO 29 2HD PRO 29 -0.909 17.449 -4.538 223 HD3 PRO 29 1HD PRO 29 -1.299 16.335 -5.866 224 H GLU 30 HN GLU 30 0.860 16.629 -2.661 225 HA GLU 30 HA GLU 30 3.153 18.160 -1.959 226 HB2 GLU 30 2HB GLU 30 0.698 17.246 -0.482 227 HB3 GLU 30 1HB GLU 30 2.012 18.050 0.378 228 HG2 GLU 30 2HG GLU 30 0.777 19.210 -2.125 229 HG3 GLU 30 1HG GLU 30 0.151 19.567 -0.516 230 H MET 31 HN MET 31 1.838 15.515 0.006 231 HA MET 31 HA MET 31 4.444 14.850 1.015 232 HB2 MET 31 2HB MET 31 2.673 12.772 1.658 233 HB3 MET 31 1HB MET 31 3.136 14.123 2.689 234 HG2 MET 31 2HG MET 31 1.296 15.475 1.765 235 HG3 MET 31 1HG MET 31 0.838 14.140 0.707 236 HE1 MET 31 1HE MET 31 -0.580 11.465 2.743 237 HE2 MET 31 2HE MET 31 1.174 11.473 2.909 238 HE3 MET 31 3HE MET 31 0.440 11.933 1.375 239 H ASN 32 HN ASN 32 5.849 13.743 -0.134 240 HA ASN 32 HA ASN 32 4.879 11.617 -1.951 241 HB2 ASN 32 2HB ASN 32 7.492 12.286 -2.698 242 HB3 ASN 32 1HB ASN 32 6.008 12.708 -3.552 243 HD21 ASN 32 1HD2 ASN 32 6.068 14.909 -4.032 244 HD22 ASN 32 2HD2 ASN 32 6.599 16.121 -2.969 245 H LEU 33 HN LEU 33 5.785 9.612 -1.797 246 HA LEU 33 HA LEU 33 7.245 9.024 0.599 247 HB2 LEU 33 2HB LEU 33 5.550 7.465 -0.150 248 HB3 LEU 33 1HB LEU 33 6.342 7.296 -1.715 249 HG LEU 33 HG LEU 33 8.259 6.230 -0.697 250 HD11 LEU 33 1HD1 LEU 33 8.603 7.277 1.375 251 HD12 LEU 33 2HD1 LEU 33 7.987 5.695 1.851 252 HD13 LEU 33 3HD1 LEU 33 6.915 7.092 1.854 253 HD21 LEU 33 1HD2 LEU 33 5.705 5.106 0.486 254 HD22 LEU 33 2HD2 LEU 33 7.198 4.211 0.209 255 HD23 LEU 33 3HD2 LEU 33 6.266 4.821 -1.160 256 H GLU 34 HN GLU 34 9.365 9.119 0.795 257 HA GLU 34 HA GLU 34 11.035 9.200 -1.621 258 HB2 GLU 34 2HB GLU 34 11.376 10.166 1.199 259 HB3 GLU 34 1HB GLU 34 12.780 9.949 0.152 260 HG2 GLU 34 2HG GLU 34 10.398 11.461 -0.875 261 HG3 GLU 34 1HG GLU 34 11.537 12.269 0.200 262 H SER 35 HN SER 35 10.436 7.250 1.227 263 HA SER 35 HA SER 35 12.027 5.110 0.166 264 HB2 SER 35 2HB SER 35 13.866 5.122 1.537 265 HB3 SER 35 1HB SER 35 13.597 6.858 1.429 266 HG SER 35 HG SER 35 13.161 6.853 3.478 267 H VAL 36 HN VAL 36 11.739 3.166 1.301 268 HA VAL 36 HA VAL 36 9.670 3.240 3.400 269 HB VAL 36 HB VAL 36 8.879 2.537 1.087 270 HG11 VAL 36 1HG1 VAL 36 11.028 1.165 0.735 271 HG12 VAL 36 2HG1 VAL 36 9.513 0.401 0.262 272 HG13 VAL 36 3HG1 VAL 36 10.288 -0.047 1.781 273 HG21 VAL 36 1HG2 VAL 36 7.594 2.016 3.093 274 HG22 VAL 36 2HG2 VAL 36 8.642 0.643 3.450 275 HG23 VAL 36 3HG2 VAL 36 7.589 0.605 2.037 276 H THR 37 HN THR 37 9.730 1.631 4.961 277 HA THR 37 HA THR 37 12.387 0.399 5.261 278 HB THR 37 HB THR 37 11.806 0.249 7.648 279 HG1 THR 37 1HG THR 37 9.836 0.937 8.348 280 HG21 THR 37 1HG2 THR 37 11.852 2.596 8.134 281 HG22 THR 37 2HG2 THR 37 11.081 2.984 6.596 282 HG23 THR 37 3HG2 THR 37 12.734 2.371 6.624 283 HA PRO 38 HA PRO 38 11.069 -3.820 4.609 284 HB2 PRO 38 2HB PRO 38 11.899 -4.224 7.466 285 HB3 PRO 38 1HB PRO 38 12.276 -5.210 6.038 286 HG2 PRO 38 2HG PRO 38 14.040 -3.498 7.104 287 HG3 PRO 38 1HG PRO 38 13.968 -3.834 5.367 288 HD2 PRO 38 2HD PRO 38 13.233 -1.370 6.805 289 HD3 PRO 38 1HD PRO 38 13.562 -1.606 5.076 290 H MET 39 HN MET 39 8.950 -4.502 4.686 291 HA MET 39 HA MET 39 7.184 -3.332 6.597 292 HB2 MET 39 2HB MET 39 6.422 -3.647 4.339 293 HB3 MET 39 1HB MET 39 6.811 -5.363 4.397 294 HG2 MET 39 2HG MET 39 5.017 -5.842 5.848 295 HG3 MET 39 1HG MET 39 4.857 -4.166 6.352 296 HE1 MET 39 1HE MET 39 3.816 -5.880 2.264 297 HE2 MET 39 2HE MET 39 5.046 -6.423 3.390 298 HE3 MET 39 3HE MET 39 5.329 -4.983 2.417 299 H THR 40 HN THR 40 5.575 -4.728 7.687 300 HA THR 40 HA THR 40 6.705 -7.233 8.636 301 HB THR 40 HB THR 40 5.559 -5.278 10.598 302 HG1 THR 40 1HG THR 40 7.332 -4.206 10.424 303 HG21 THR 40 1HG2 THR 40 6.273 -6.761 12.209 304 HG22 THR 40 2HG2 THR 40 7.612 -7.345 11.223 305 HG23 THR 40 3HG2 THR 40 5.970 -7.896 10.895 306 H LEU 41 HN LEU 41 5.172 -8.467 7.638 307 HA LEU 41 HA LEU 41 2.346 -7.875 8.199 308 HB2 LEU 41 2HB LEU 41 3.777 -9.105 5.991 309 HB3 LEU 41 1HB LEU 41 2.462 -10.126 6.567 310 HG LEU 41 HG LEU 41 0.997 -7.992 6.486 311 HD11 LEU 41 1HD1 LEU 41 1.806 -6.338 4.786 312 HD12 LEU 41 2HD1 LEU 41 3.375 -7.138 4.814 313 HD13 LEU 41 3HD1 LEU 41 2.768 -6.340 6.263 314 HD21 LEU 41 1HD2 LEU 41 0.447 -9.538 4.904 315 HD22 LEU 41 2HD2 LEU 41 2.059 -9.580 4.194 316 HD23 LEU 41 3HD2 LEU 41 0.978 -8.224 3.859 317 H THR 42 HN THR 42 2.071 -8.606 10.280 318 HA THR 42 HA THR 42 3.060 -11.227 10.999 319 HB THR 42 HB THR 42 2.694 -10.653 13.191 320 HG1 THR 42 1HG THR 42 1.117 -8.864 13.595 321 HG21 THR 42 1HG2 THR 42 2.742 -7.894 11.994 322 HG22 THR 42 2HG2 THR 42 4.109 -8.998 11.806 323 HG23 THR 42 3HG2 THR 42 3.595 -8.489 13.421 324 H THR 43 HN THR 43 2.011 -12.970 10.667 325 HA THR 43 HA THR 43 -0.791 -12.848 9.939 326 HB THR 43 HB THR 43 0.930 -15.315 10.260 327 HG1 THR 43 1HG THR 43 1.874 -14.121 8.699 328 HG21 THR 43 1HG2 THR 43 -1.496 -15.729 10.241 329 HG22 THR 43 2HG2 THR 43 -0.754 -16.303 8.745 330 HG23 THR 43 3HG2 THR 43 -1.649 -14.783 8.758 331 H LEU 44 HN LEU 44 -2.205 -12.576 11.513 332 HA LEU 44 HA LEU 44 -1.772 -13.741 14.138 333 HB2 LEU 44 2HB LEU 44 -4.307 -12.361 13.302 334 HB3 LEU 44 1HB LEU 44 -3.539 -12.408 14.888 335 HG LEU 44 HG LEU 44 -2.504 -10.942 12.442 336 HD11 LEU 44 1HD1 LEU 44 -2.802 -9.262 14.699 337 HD12 LEU 44 2HD1 LEU 44 -4.285 -10.211 14.591 338 HD13 LEU 44 3HD1 LEU 44 -3.756 -9.242 13.217 339 HD21 LEU 44 1HD2 LEU 44 -1.321 -11.562 15.135 340 HD22 LEU 44 2HD2 LEU 44 -0.900 -10.054 14.325 341 HD23 LEU 44 3HD2 LEU 44 -0.550 -11.598 13.550 342 H GLU 45 HN GLU 45 -2.263 -15.770 14.527 343 HA GLU 45 HA GLU 45 -3.549 -17.591 12.958 344 HB2 GLU 45 2HB GLU 45 -3.637 -17.451 15.982 345 HB3 GLU 45 1HB GLU 45 -4.009 -18.881 15.017 346 HG2 GLU 45 2HG GLU 45 -1.760 -18.953 14.136 347 HG3 GLU 45 1HG GLU 45 -1.366 -17.407 14.888 348 H GLY 46 HN GLY 46 -5.057 -15.356 15.257 349 HA2 GLY 46 2HA GLY 46 -7.639 -16.243 15.384 350 HA3 GLY 46 1HA GLY 46 -7.221 -14.535 15.304 351 H GLY 47 HN GLY 47 -5.947 -15.252 12.580 352 HA2 GLY 47 2HA GLY 47 -6.828 -15.869 10.411 353 HA3 GLY 47 1HA GLY 47 -8.432 -15.438 10.995 354 H ASN 48 HN ASN 48 -6.148 -13.243 12.109 355 HA ASN 48 HA ASN 48 -6.825 -11.340 9.943 356 HB2 ASN 48 2HB ASN 48 -6.098 -10.689 12.804 357 HB3 ASN 48 1HB ASN 48 -6.676 -9.567 11.572 358 HD21 ASN 48 1HD2 ASN 48 -7.870 -10.605 14.267 359 HD22 ASN 48 2HD2 ASN 48 -9.454 -11.044 13.839 360 H LEU 49 HN LEU 49 -5.207 -9.671 9.501 361 HA LEU 49 HA LEU 49 -2.433 -10.623 9.992 362 HB2 LEU 49 2HB LEU 49 -3.821 -10.383 7.522 363 HB3 LEU 49 1HB LEU 49 -2.627 -9.089 7.579 364 HG LEU 49 HG LEU 49 -1.984 -11.988 8.166 365 HD11 LEU 49 1HD1 LEU 49 -0.971 -12.001 5.904 366 HD12 LEU 49 2HD1 LEU 49 -1.624 -10.386 5.621 367 HD13 LEU 49 3HD1 LEU 49 -2.717 -11.751 5.842 368 HD21 LEU 49 1HD2 LEU 49 0.040 -10.021 7.234 369 HD22 LEU 49 2HD2 LEU 49 0.195 -11.300 8.434 370 HD23 LEU 49 3HD2 LEU 49 -0.570 -9.771 8.867 371 H GLU 50 HN GLU 50 -0.976 -9.107 10.654 372 HA GLU 50 HA GLU 50 -1.934 -6.309 10.783 373 HB2 GLU 50 2HB GLU 50 -1.377 -7.650 12.960 374 HB3 GLU 50 1HB GLU 50 0.297 -7.348 12.490 375 HG2 GLU 50 2HG GLU 50 -0.218 -4.917 12.320 376 HG3 GLU 50 1HG GLU 50 -1.846 -5.250 12.912 377 H ALA 51 HN ALA 51 -0.919 -4.928 9.512 378 HA ALA 51 HA ALA 51 1.731 -5.669 8.480 379 HB1 ALA 51 1HB ALA 51 0.965 -3.870 6.687 380 HB2 ALA 51 2HB ALA 51 -0.636 -4.380 7.230 381 HB3 ALA 51 3HB ALA 51 0.491 -5.567 6.565 382 H LYS 52 HN LYS 52 3.305 -4.582 9.422 383 HA LYS 52 HA LYS 52 2.843 -1.784 10.213 384 HB2 LYS 52 2HB LYS 52 3.917 -4.075 11.654 385 HB3 LYS 52 1HB LYS 52 5.040 -2.717 11.657 386 HG2 LYS 52 2HG LYS 52 2.116 -2.561 12.432 387 HG3 LYS 52 1HG LYS 52 3.449 -2.675 13.580 388 HD2 LYS 52 2HD LYS 52 4.220 -0.574 11.945 389 HD3 LYS 52 1HD LYS 52 2.477 -0.364 12.076 390 HE2 LYS 52 2HE LYS 52 3.481 0.835 13.913 391 HE3 LYS 52 1HE LYS 52 2.723 -0.612 14.580 392 HZ1 LYS 52 1HZ LYS 52 5.456 -0.969 13.717 393 HZ2 LYS 52 2HZ LYS 52 4.690 -1.483 15.143 394 HZ3 LYS 52 3HZ LYS 52 5.271 0.108 15.014 395 H VAL 53 HN VAL 53 3.857 -0.452 8.804 396 HA VAL 53 HA VAL 53 6.650 -1.044 8.149 397 HB VAL 53 HB VAL 53 5.344 -1.931 6.263 398 HG11 VAL 53 1HG1 VAL 53 4.355 0.905 5.909 399 HG12 VAL 53 2HG1 VAL 53 3.389 -0.392 6.614 400 HG13 VAL 53 3HG1 VAL 53 3.921 -0.502 4.936 401 HG21 VAL 53 1HG2 VAL 53 6.910 -1.163 4.814 402 HG22 VAL 53 2HG2 VAL 53 7.492 -0.173 6.152 403 HG23 VAL 53 3HG2 VAL 53 6.358 0.503 4.983 404 H THR 54 HN THR 54 7.887 0.768 7.802 405 HA THR 54 HA THR 54 6.581 3.319 8.453 406 HB THR 54 HB THR 54 9.536 2.866 8.575 407 HG1 THR 54 1HG THR 54 7.673 2.242 10.622 408 HG21 THR 54 1HG2 THR 54 9.544 4.762 9.868 409 HG22 THR 54 2HG2 THR 54 7.976 4.403 10.591 410 HG23 THR 54 3HG2 THR 54 8.064 5.078 8.965 411 H MET 55 HN MET 55 6.416 4.788 6.908 412 HA MET 55 HA MET 55 8.107 4.474 4.515 413 HB2 MET 55 2HB MET 55 6.014 6.397 4.160 414 HB3 MET 55 1HB MET 55 6.308 4.908 3.273 415 HG2 MET 55 2HG MET 55 5.218 3.733 5.328 416 HG3 MET 55 1HG MET 55 4.596 5.347 5.707 417 HE1 MET 55 1HE MET 55 3.780 6.875 3.710 418 HE2 MET 55 2HE MET 55 2.853 6.293 2.331 419 HE3 MET 55 3HE MET 55 4.610 6.187 2.307 420 H LEU 56 HN LEU 56 9.008 6.293 3.559 421 HA LEU 56 HA LEU 56 9.590 8.441 5.495 422 HB2 LEU 56 2HB LEU 56 11.574 7.225 4.651 423 HB3 LEU 56 1HB LEU 56 11.114 7.633 3.001 424 HG LEU 56 HG LEU 56 11.308 10.052 3.548 425 HD11 LEU 56 1HD1 LEU 56 10.992 10.419 5.793 426 HD12 LEU 56 2HD1 LEU 56 12.749 10.285 5.812 427 HD13 LEU 56 3HD1 LEU 56 11.756 8.900 6.260 428 HD21 LEU 56 1HD2 LEU 56 13.767 10.095 3.739 429 HD22 LEU 56 2HD2 LEU 56 13.248 8.829 2.628 430 HD23 LEU 56 3HD2 LEU 56 13.761 8.411 4.262 431 H ILE 57 HN ILE 57 7.702 9.607 5.097 432 HA ILE 57 HA ILE 57 7.161 10.509 2.387 433 HB ILE 57 HB ILE 57 5.699 10.913 5.002 434 HG12 ILE 57 2HG1 ILE 57 5.836 8.642 3.617 435 HG13 ILE 57 1HG1 ILE 57 4.319 9.170 4.338 436 HG21 ILE 57 1HG2 ILE 57 5.164 12.824 3.727 437 HG22 ILE 57 2HG2 ILE 57 3.864 11.690 3.364 438 HG23 ILE 57 3HG2 ILE 57 5.181 11.924 2.210 439 HD11 ILE 57 1HD1 ILE 57 3.477 9.956 2.264 440 HD12 ILE 57 2HD1 ILE 57 4.263 8.433 1.855 441 HD13 ILE 57 3HD1 ILE 57 5.074 9.959 1.518 442 H SER 58 HN SER 58 8.014 12.264 1.623 443 HA SER 58 HA SER 58 9.296 14.195 1.525 444 HB2 SER 58 2HB SER 58 7.113 15.037 3.438 445 HB3 SER 58 1HB SER 58 8.107 16.116 2.464 446 HG SER 58 HG SER 58 6.629 15.805 1.003 447 H GLY 59 HN GLY 59 10.629 12.527 3.218 448 HA2 GLY 59 2HA GLY 59 12.365 12.662 4.737 449 HA3 GLY 59 1HA GLY 59 12.041 14.386 4.876 450 H ARG 60 HN ARG 60 9.476 12.136 5.399 451 HA ARG 60 HA ARG 60 9.719 12.482 8.328 452 HB2 ARG 60 2HB ARG 60 7.078 12.434 6.864 453 HB3 ARG 60 1HB ARG 60 7.374 12.856 8.545 454 HG2 ARG 60 2HG ARG 60 8.435 14.426 6.173 455 HG3 ARG 60 1HG ARG 60 6.994 14.858 7.091 456 HD2 ARG 60 2HD ARG 60 8.870 14.528 9.086 457 HD3 ARG 60 1HD ARG 60 9.832 15.210 7.778 458 HE ARG 60 HE ARG 60 8.758 17.219 8.142 459 HH11 ARG 60 1HH1 ARG 60 7.168 18.563 9.046 460 HH12 ARG 60 2HH1 ARG 60 5.821 17.863 9.878 461 HH21 ARG 60 1HH2 ARG 60 6.865 14.596 9.371 462 HH22 ARG 60 2HH2 ARG 60 5.648 15.617 10.063 463 H CYS 61 HN CYS 61 9.679 10.625 9.427 464 HA CYS 61 HA CYS 61 9.215 8.145 7.987 465 HB2 CYS 61 2HB CYS 61 9.868 8.525 10.920 466 HB3 CYS 61 1HB CYS 61 10.055 7.052 9.967 467 H GLN 62 HN GLN 62 7.091 7.784 7.615 468 HA GLN 62 HA GLN 62 5.170 8.241 9.791 469 HB2 GLN 62 2HB GLN 62 4.700 7.532 6.887 470 HB3 GLN 62 1HB GLN 62 3.455 7.939 8.068 471 HG2 GLN 62 2HG GLN 62 5.730 9.778 7.275 472 HG3 GLN 62 1HG GLN 62 4.095 9.877 6.626 473 HE21 GLN 62 1HE2 GLN 62 6.106 10.649 9.378 474 HE22 GLN 62 2HE2 GLN 62 4.893 11.396 10.300 475 H GLU 63 HN GLU 63 4.943 6.587 11.145 476 HA GLU 63 HA GLU 63 5.419 3.854 10.353 477 HB2 GLU 63 2HB GLU 63 4.362 3.494 12.733 478 HB3 GLU 63 1HB GLU 63 5.978 4.187 12.586 479 HG2 GLU 63 2HG GLU 63 5.176 6.400 12.934 480 HG3 GLU 63 1HG GLU 63 3.500 5.911 12.692 481 H VAL 64 HN VAL 64 3.990 2.748 9.175 482 HA VAL 64 HA VAL 64 1.137 3.437 9.391 483 HB VAL 64 HB VAL 64 2.368 1.565 7.382 484 HG11 VAL 64 1HG1 VAL 64 -0.086 1.642 7.563 485 HG12 VAL 64 2HG1 VAL 64 0.449 2.336 6.032 486 HG13 VAL 64 3HG1 VAL 64 -0.052 3.392 7.353 487 HG21 VAL 64 1HG2 VAL 64 2.396 3.689 5.918 488 HG22 VAL 64 2HG2 VAL 64 3.699 3.506 7.093 489 HG23 VAL 64 3HG2 VAL 64 2.344 4.584 7.437 490 H LYS 65 HN LYS 65 -0.339 2.044 10.193 491 HA LYS 65 HA LYS 65 0.521 -0.714 10.832 492 HB2 LYS 65 2HB LYS 65 0.491 0.900 12.830 493 HB3 LYS 65 1HB LYS 65 -1.259 0.956 12.619 494 HG2 LYS 65 2HG LYS 65 -1.009 -1.685 12.608 495 HG3 LYS 65 1HG LYS 65 0.469 -1.321 13.496 496 HD2 LYS 65 2HD LYS 65 -1.014 -1.430 15.262 497 HD3 LYS 65 1HD LYS 65 -1.157 0.281 14.861 498 HE2 LYS 65 2HE LYS 65 -3.016 -0.619 13.189 499 HE3 LYS 65 1HE LYS 65 -3.070 -1.956 14.337 500 HZ1 LYS 65 1HZ LYS 65 -4.386 0.382 14.619 501 HZ2 LYS 65 2HZ LYS 65 -3.006 0.641 15.574 502 HZ3 LYS 65 3HZ LYS 65 -4.021 -0.686 15.884 503 H ALA 66 HN ALA 66 -0.611 -1.762 9.310 504 HA ALA 66 HA ALA 66 -3.477 -1.151 9.010 505 HB1 ALA 66 1HB ALA 66 -2.904 -2.897 6.992 506 HB2 ALA 66 2HB ALA 66 -1.364 -2.054 7.166 507 HB3 ALA 66 3HB ALA 66 -2.837 -1.140 6.838 508 H VAL 67 HN VAL 67 -4.895 -2.514 9.846 509 HA VAL 67 HA VAL 67 -3.980 -5.227 10.560 510 HB VAL 67 HB VAL 67 -6.421 -3.968 11.759 511 HG11 VAL 67 1HG1 VAL 67 -4.317 -5.817 12.912 512 HG12 VAL 67 2HG1 VAL 67 -5.748 -6.395 12.057 513 HG13 VAL 67 3HG1 VAL 67 -5.926 -5.487 13.559 514 HG21 VAL 67 1HG2 VAL 67 -3.546 -3.506 12.621 515 HG22 VAL 67 2HG2 VAL 67 -4.963 -3.101 13.591 516 HG23 VAL 67 3HG2 VAL 67 -4.679 -2.276 12.059 517 H LEU 68 HN LEU 68 -4.636 -6.626 9.020 518 HA LEU 68 HA LEU 68 -7.018 -6.111 7.488 519 HB2 LEU 68 2HB LEU 68 -5.306 -8.591 7.464 520 HB3 LEU 68 1HB LEU 68 -6.304 -7.954 6.162 521 HG LEU 68 HG LEU 68 -3.814 -6.636 7.295 522 HD11 LEU 68 1HD1 LEU 68 -2.671 -7.448 5.467 523 HD12 LEU 68 2HD1 LEU 68 -4.110 -7.475 4.446 524 HD13 LEU 68 3HD1 LEU 68 -3.850 -8.747 5.639 525 HD21 LEU 68 1HD2 LEU 68 -4.326 -5.311 5.031 526 HD22 LEU 68 2HD2 LEU 68 -5.017 -4.804 6.569 527 HD23 LEU 68 3HD2 LEU 68 -5.980 -5.753 5.435 528 H GLU 69 HN GLU 69 -8.727 -6.293 8.966 529 HA GLU 69 HA GLU 69 -8.984 -8.632 10.625 530 HB2 GLU 69 2HB GLU 69 -11.061 -6.538 9.919 531 HB3 GLU 69 1HB GLU 69 -11.154 -7.700 11.243 532 HG2 GLU 69 2HG GLU 69 -8.661 -6.204 11.324 533 HG3 GLU 69 1HG GLU 69 -10.056 -5.129 11.365 534 H LYS 70 HN LYS 70 -9.820 -10.523 10.047 535 HA LYS 70 HA LYS 70 -10.609 -11.092 7.403 536 HB2 LYS 70 2HB LYS 70 -9.869 -12.587 9.576 537 HB3 LYS 70 1HB LYS 70 -11.600 -12.914 9.501 538 HG2 LYS 70 2HG LYS 70 -9.676 -13.207 7.172 539 HG3 LYS 70 1HG LYS 70 -10.289 -14.536 8.154 540 HD2 LYS 70 2HD LYS 70 -12.633 -13.743 7.541 541 HD3 LYS 70 1HD LYS 70 -11.863 -12.703 6.345 542 HE2 LYS 70 2HE LYS 70 -12.357 -14.653 5.121 543 HE3 LYS 70 1HE LYS 70 -10.661 -14.867 5.556 544 HZ1 LYS 70 1HZ LYS 70 -12.698 -16.602 6.096 545 HZ2 LYS 70 2HZ LYS 70 -12.426 -15.828 7.584 546 HZ3 LYS 70 3HZ LYS 70 -11.152 -16.626 6.793 547 H THR 71 HN THR 71 -12.547 -11.006 6.416 548 HA THR 71 HA THR 71 -14.897 -10.269 8.061 549 HB THR 71 HB THR 71 -15.779 -9.163 6.093 550 HG1 THR 71 1HG THR 71 -13.397 -10.005 4.812 551 HG21 THR 71 1HG2 THR 71 -13.232 -7.952 5.704 552 HG22 THR 71 2HG2 THR 71 -13.332 -8.448 7.393 553 HG23 THR 71 3HG2 THR 71 -14.561 -7.382 6.713 554 H ASP 72 HN ASP 72 -16.925 -10.746 6.376 555 HA ASP 72 HA ASP 72 -17.101 -13.627 6.411 556 HB2 ASP 72 2HB ASP 72 -18.972 -11.969 6.974 557 HB3 ASP 72 1HB ASP 72 -19.130 -11.733 5.234 558 H GLU 73 HN GLU 73 -15.690 -11.562 4.297 559 HA GLU 73 HA GLU 73 -16.433 -13.170 1.937 560 HB2 GLU 73 2HB GLU 73 -15.873 -10.301 2.328 561 HB3 GLU 73 1HB GLU 73 -15.133 -11.022 0.898 562 HG2 GLU 73 2HG GLU 73 -17.428 -10.122 0.466 563 HG3 GLU 73 1HG GLU 73 -17.287 -11.847 0.135 564 HA PRO 74 HA PRO 74 -12.173 -14.582 2.330 565 HB2 PRO 74 2HB PRO 74 -11.995 -16.079 0.068 566 HB3 PRO 74 1HB PRO 74 -12.905 -16.612 1.496 567 HG2 PRO 74 2HG PRO 74 -13.897 -15.410 -1.041 568 HG3 PRO 74 1HG PRO 74 -14.581 -16.726 -0.069 569 HD2 PRO 74 2HD PRO 74 -15.517 -14.139 0.010 570 HD3 PRO 74 1HD PRO 74 -15.667 -15.284 1.361 571 H GLY 75 HN GLY 75 -10.483 -13.260 1.951 572 HA2 GLY 75 2HA GLY 75 -8.785 -12.380 0.547 573 HA3 GLY 75 1HA GLY 75 -9.915 -12.445 -0.799 574 H LYS 76 HN LYS 76 -11.432 -11.182 1.883 575 HA LYS 76 HA LYS 76 -10.804 -8.400 1.131 576 HB2 LYS 76 2HB LYS 76 -12.974 -9.116 0.170 577 HB3 LYS 76 1HB LYS 76 -13.545 -9.524 1.780 578 HG2 LYS 76 2HG LYS 76 -12.493 -6.765 1.123 579 HG3 LYS 76 1HG LYS 76 -14.174 -7.194 0.827 580 HD2 LYS 76 2HD LYS 76 -13.829 -8.048 3.428 581 HD3 LYS 76 1HD LYS 76 -12.799 -6.624 3.371 582 HE2 LYS 76 2HE LYS 76 -14.932 -5.791 3.973 583 HE3 LYS 76 1HE LYS 76 -14.799 -5.447 2.249 584 HZ1 LYS 76 1HZ LYS 76 -16.146 -7.276 1.719 585 HZ2 LYS 76 2HZ LYS 76 -16.934 -6.504 3.011 586 HZ3 LYS 76 3HZ LYS 76 -16.043 -7.925 3.282 587 H TYR 77 HN TYR 77 -9.872 -7.457 2.843 588 HA TYR 77 HA TYR 77 -10.805 -8.239 5.543 589 HB2 TYR 77 2HB TYR 77 -8.127 -7.095 4.723 590 HB3 TYR 77 1HB TYR 77 -8.602 -7.576 6.351 591 HD1 TYR 77 1HD TYR 77 -8.339 -8.937 2.866 592 HD2 TYR 77 2HD TYR 77 -8.191 -9.763 7.079 593 HE1 TYR 77 1HE TYR 77 -7.636 -11.263 2.388 594 HE2 TYR 77 2HE TYR 77 -7.484 -12.088 6.598 595 HH TYR 77 HH TYR 77 -7.904 -13.681 4.225 596 H THR 78 HN THR 78 -10.733 -6.519 7.158 597 HA THR 78 HA THR 78 -10.998 -3.820 6.008 598 HB THR 78 HB THR 78 -12.904 -3.468 7.670 599 HG1 THR 78 1HG THR 78 -12.497 -5.443 8.798 600 HG21 THR 78 1HG2 THR 78 -14.508 -4.799 6.096 601 HG22 THR 78 2HG2 THR 78 -13.039 -5.167 5.193 602 HG23 THR 78 3HG2 THR 78 -13.539 -3.490 5.419 603 H ALA 79 HN ALA 79 -10.765 -2.091 7.589 604 HA ALA 79 HA ALA 79 -9.332 -2.915 10.040 605 HB1 ALA 79 1HB ALA 79 -7.436 -1.903 9.411 606 HB2 ALA 79 2HB ALA 79 -8.307 -0.429 8.987 607 HB3 ALA 79 3HB ALA 79 -8.131 -1.724 7.802 608 H ASP 80 HN ASP 80 -9.930 -1.863 11.829 609 HA ASP 80 HA ASP 80 -10.905 -0.299 13.217 610 HB2 ASP 80 2HB ASP 80 -10.004 1.251 11.161 611 HB3 ASP 80 1HB ASP 80 -11.740 1.550 11.077 612 H GLY 81 HN GLY 81 -12.477 -1.069 10.163 613 HA2 GLY 81 2HA GLY 81 -14.648 -2.346 10.665 614 HA3 GLY 81 1HA GLY 81 -15.119 -0.848 11.463 615 H GLY 82 HN GLY 82 -13.167 -0.867 8.556 616 HA2 GLY 82 2HA GLY 82 -14.404 -0.873 6.337 617 HA3 GLY 82 1HA GLY 82 -15.434 0.343 7.087 618 H LYS 83 HN LYS 83 -12.895 1.291 8.538 619 HA LYS 83 HA LYS 83 -12.241 3.354 6.653 620 HB2 LYS 83 2HB LYS 83 -10.844 2.717 9.256 621 HB3 LYS 83 1HB LYS 83 -10.858 4.259 8.401 622 HG2 LYS 83 2HG LYS 83 -13.313 2.889 9.536 623 HG3 LYS 83 1HG LYS 83 -12.460 4.221 10.315 624 HD2 LYS 83 2HD LYS 83 -12.855 5.279 7.836 625 HD3 LYS 83 1HD LYS 83 -14.280 4.252 7.976 626 HE2 LYS 83 2HE LYS 83 -14.812 5.300 10.153 627 HE3 LYS 83 1HE LYS 83 -13.401 6.344 9.986 628 HZ1 LYS 83 1HZ LYS 83 -14.855 7.721 9.014 629 HZ2 LYS 83 2HZ LYS 83 -15.976 6.490 8.679 630 HZ3 LYS 83 3HZ LYS 83 -14.647 6.735 7.650 631 H HIS 84 HN HIS 84 -11.698 1.016 5.481 632 HA HIS 84 HA HIS 84 -9.506 1.119 4.058 633 HB2 HIS 84 2HB HIS 84 -8.596 0.336 6.800 634 HB3 HIS 84 1HB HIS 84 -7.813 -0.401 5.412 635 HD1 HIS 84 1HD HIS 84 -8.117 2.248 3.586 636 HD2 HIS 84 2HD HIS 84 -6.385 2.030 7.372 637 HE1 HIS 84 1HE HIS 84 -6.552 4.231 3.774 638 H VAL 85 HN VAL 85 -10.308 -0.305 2.628 639 HA VAL 85 HA VAL 85 -10.939 -3.040 3.587 640 HB VAL 85 HB VAL 85 -11.640 -1.935 0.886 641 HG11 VAL 85 1HG1 VAL 85 -12.986 -4.018 2.616 642 HG12 VAL 85 2HG1 VAL 85 -11.751 -4.402 1.417 643 HG13 VAL 85 3HG1 VAL 85 -13.285 -3.693 0.908 644 HG21 VAL 85 1HG2 VAL 85 -13.176 -1.677 3.488 645 HG22 VAL 85 2HG2 VAL 85 -13.900 -1.430 1.899 646 HG23 VAL 85 3HG2 VAL 85 -12.612 -0.363 2.457 647 H ALA 86 HN ALA 86 -9.013 -4.082 3.507 648 HA ALA 86 HA ALA 86 -7.331 -3.765 1.169 649 HB1 ALA 86 1HB ALA 86 -6.274 -5.597 3.119 650 HB2 ALA 86 2HB ALA 86 -6.769 -4.083 3.878 651 HB3 ALA 86 3HB ALA 86 -5.614 -4.069 2.543 652 H TYR 87 HN TYR 87 -6.649 -5.315 -0.145 653 HA TYR 87 HA TYR 87 -7.914 -7.970 0.086 654 HB2 TYR 87 2HB TYR 87 -7.529 -6.295 -2.408 655 HB3 TYR 87 1HB TYR 87 -7.972 -7.997 -2.429 656 HD1 TYR 87 1HD TYR 87 -9.046 -4.655 -1.154 657 HD2 TYR 87 2HD TYR 87 -10.205 -8.667 -2.145 658 HE1 TYR 87 1HE TYR 87 -11.431 -4.033 -0.870 659 HE2 TYR 87 2HE TYR 87 -12.591 -8.049 -1.864 660 HH TYR 87 HH TYR 87 -13.779 -5.201 -1.982 661 H ILE 88 HN ILE 88 -6.440 -9.577 0.042 662 HA ILE 88 HA ILE 88 -3.674 -8.920 -0.763 663 HB ILE 88 HB ILE 88 -4.253 -11.430 0.718 664 HG12 ILE 88 2HG1 ILE 88 -4.600 -8.643 1.840 665 HG13 ILE 88 1HG1 ILE 88 -5.703 -10.013 1.969 666 HG21 ILE 88 1HG2 ILE 88 -2.097 -11.105 1.530 667 HG22 ILE 88 2HG2 ILE 88 -2.212 -9.347 1.431 668 HG23 ILE 88 3HG2 ILE 88 -1.977 -10.302 -0.033 669 HD11 ILE 88 1HD1 ILE 88 -3.217 -9.430 3.502 670 HD12 ILE 88 2HD1 ILE 88 -3.548 -11.125 3.126 671 HD13 ILE 88 3HD1 ILE 88 -4.722 -10.180 4.039 672 H ILE 89 HN ILE 89 -3.220 -9.548 -2.786 673 HA ILE 89 HA ILE 89 -4.479 -12.019 -3.777 674 HB ILE 89 HB ILE 89 -3.108 -10.434 -5.787 675 HG12 ILE 89 2HG1 ILE 89 -3.842 -8.566 -4.238 676 HG13 ILE 89 1HG1 ILE 89 -4.540 -8.501 -5.847 677 HG21 ILE 89 1HG2 ILE 89 -5.318 -10.665 -6.912 678 HG22 ILE 89 2HG2 ILE 89 -5.963 -11.393 -5.441 679 HG23 ILE 89 3HG2 ILE 89 -4.673 -12.200 -6.333 680 HD11 ILE 89 1HD1 ILE 89 -6.630 -9.419 -5.051 681 HD12 ILE 89 2HD1 ILE 89 -6.189 -8.068 -4.010 682 HD13 ILE 89 3HD1 ILE 89 -5.939 -9.717 -3.461 683 H ARG 90 HN ARG 90 -3.222 -13.479 -4.976 684 HA ARG 90 HA ARG 90 -0.403 -13.548 -4.157 685 HB2 ARG 90 2HB ARG 90 -1.828 -15.535 -3.696 686 HB3 ARG 90 1HB ARG 90 -2.090 -15.719 -5.430 687 HG2 ARG 90 2HG ARG 90 0.724 -15.437 -4.959 688 HG3 ARG 90 1HG ARG 90 0.096 -16.688 -3.886 689 HD2 ARG 90 2HD ARG 90 -1.005 -17.768 -5.835 690 HD3 ARG 90 1HD ARG 90 -0.292 -16.549 -6.890 691 HE ARG 90 HE ARG 90 1.602 -18.031 -5.249 692 HH11 ARG 90 1HH1 ARG 90 3.100 -19.269 -6.421 693 HH12 ARG 90 2HH1 ARG 90 2.851 -19.548 -8.112 694 HH21 ARG 90 1HH2 ARG 90 -0.103 -17.736 -8.247 695 HH22 ARG 90 2HH2 ARG 90 1.038 -18.680 -9.147 696 H SER 91 HN SER 91 0.728 -12.317 -5.592 697 HA SER 91 HA SER 91 0.329 -11.732 -8.198 698 HB2 SER 91 2HB SER 91 2.293 -10.749 -7.734 699 HB3 SER 91 1HB SER 91 2.642 -11.908 -6.456 700 HG SER 91 HG SER 91 2.873 -12.547 -9.204 701 H HIS 92 HN HIS 92 1.344 -12.564 -10.174 702 HA HIS 92 HA HIS 92 0.658 -15.308 -10.592 703 HB2 HIS 92 2HB HIS 92 2.173 -13.385 -12.379 704 HB3 HIS 92 1HB HIS 92 1.484 -14.931 -12.881 705 HD1 HIS 92 1HD HIS 92 -0.865 -13.746 -10.548 706 HD2 HIS 92 2HD HIS 92 0.027 -12.651 -14.470 707 HE1 HIS 92 1HE HIS 92 -2.901 -12.526 -11.433 708 H VAL 93 HN VAL 93 3.327 -13.841 -9.245 709 HA VAL 93 HA VAL 93 5.129 -16.059 -10.009 710 HB VAL 93 HB VAL 93 5.790 -13.306 -8.932 711 HG11 VAL 93 1HG1 VAL 93 8.138 -14.130 -9.717 712 HG12 VAL 93 2HG1 VAL 93 7.439 -15.743 -9.575 713 HG13 VAL 93 3HG1 VAL 93 7.526 -14.692 -8.161 714 HG21 VAL 93 1HG2 VAL 93 6.798 -14.178 -11.562 715 HG22 VAL 93 2HG2 VAL 93 6.087 -12.638 -11.085 716 HG23 VAL 93 3HG2 VAL 93 5.045 -14.001 -11.488 717 H LYS 94 HN LYS 94 6.679 -16.684 -8.232 718 HA LYS 94 HA LYS 94 5.142 -17.257 -5.841 719 HB2 LYS 94 2HB LYS 94 6.533 -18.998 -6.894 720 HB3 LYS 94 1HB LYS 94 7.973 -18.030 -6.584 721 HG2 LYS 94 2HG LYS 94 7.777 -18.279 -4.239 722 HG3 LYS 94 1HG LYS 94 6.100 -18.811 -4.351 723 HD2 LYS 94 2HD LYS 94 7.610 -20.715 -3.896 724 HD3 LYS 94 1HD LYS 94 6.821 -20.885 -5.465 725 HE2 LYS 94 2HE LYS 94 8.767 -20.506 -6.643 726 HE3 LYS 94 1HE LYS 94 9.443 -19.460 -5.394 727 HZ1 LYS 94 1HZ LYS 94 9.862 -22.211 -5.794 728 HZ2 LYS 94 2HZ LYS 94 9.123 -21.988 -4.281 729 HZ3 LYS 94 3HZ LYS 94 10.576 -21.188 -4.645 730 H ASP 95 HN ASP 95 6.077 -16.983 -3.684 731 HA ASP 95 HA ASP 95 6.745 -15.570 -2.001 732 HB2 ASP 95 2HB ASP 95 9.057 -15.311 -3.931 733 HB3 ASP 95 1HB ASP 95 9.077 -14.679 -2.285 734 H HIS 96 HN HIS 96 5.154 -14.430 -4.293 735 HA HIS 96 HA HIS 96 5.746 -11.591 -3.726 736 HB2 HIS 96 2HB HIS 96 5.406 -12.938 -6.378 737 HB3 HIS 96 1HB HIS 96 4.885 -11.264 -6.178 738 HD1 HIS 96 1HD HIS 96 7.985 -13.389 -5.511 739 HD2 HIS 96 2HD HIS 96 6.944 -9.451 -6.371 740 HE1 HIS 96 1HE HIS 96 10.162 -12.112 -5.770 741 H TYR 97 HN TYR 97 3.985 -10.338 -3.290 742 HA TYR 97 HA TYR 97 1.314 -11.452 -3.876 743 HB2 TYR 97 2HB TYR 97 2.495 -11.029 -1.206 744 HB3 TYR 97 1HB TYR 97 0.856 -10.410 -1.421 745 HD1 TYR 97 1HD TYR 97 2.965 -13.430 -1.991 746 HD2 TYR 97 2HD TYR 97 -0.989 -11.884 -1.394 747 HE1 TYR 97 1HE TYR 97 2.075 -15.745 -1.857 748 HE2 TYR 97 2HE TYR 97 -1.881 -14.182 -1.248 749 HH TYR 97 HH TYR 97 -1.036 -16.450 -0.703 750 H ILE 98 HN ILE 98 -0.224 -9.998 -4.358 751 HA ILE 98 HA ILE 98 0.622 -7.216 -4.601 752 HB ILE 98 HB ILE 98 -1.963 -8.416 -5.591 753 HG12 ILE 98 2HG1 ILE 98 -0.232 -9.855 -6.471 754 HG13 ILE 98 1HG1 ILE 98 -0.763 -8.784 -7.765 755 HG21 ILE 98 1HG2 ILE 98 -1.660 -6.641 -7.336 756 HG22 ILE 98 2HG2 ILE 98 -0.257 -6.067 -6.439 757 HG23 ILE 98 3HG2 ILE 98 -1.860 -6.006 -5.701 758 HD11 ILE 98 1HD1 ILE 98 1.814 -8.802 -6.253 759 HD12 ILE 98 2HD1 ILE 98 1.211 -7.250 -6.838 760 HD13 ILE 98 3HD1 ILE 98 1.528 -8.555 -7.972 761 H PHE 99 HN PHE 99 -0.166 -5.667 -3.272 762 HA PHE 99 HA PHE 99 -2.359 -6.451 -1.464 763 HB2 PHE 99 2HB PHE 99 -0.123 -6.103 -0.390 764 HB3 PHE 99 1HB PHE 99 -0.130 -4.451 -0.998 765 HD1 PHE 99 1HD PHE 99 -1.200 -6.650 1.629 766 HD2 PHE 99 2HD PHE 99 -2.099 -2.929 -0.317 767 HE1 PHE 99 1HE PHE 99 -2.494 -5.922 3.615 768 HE2 PHE 99 2HE PHE 99 -3.380 -2.197 1.663 769 HZ PHE 99 HZ PHE 99 -3.577 -3.681 3.628 770 H TYR 100 HN TYR 100 -4.159 -5.277 -1.638 771 HA TYR 100 HA TYR 100 -3.991 -2.615 -2.950 772 HB2 TYR 100 2HB TYR 100 -4.937 -4.183 -4.549 773 HB3 TYR 100 1HB TYR 100 -6.073 -4.779 -3.346 774 HD1 TYR 100 1HD TYR 100 -4.975 -1.538 -4.844 775 HD2 TYR 100 2HD TYR 100 -8.239 -3.890 -3.363 776 HE1 TYR 100 1HE TYR 100 -6.552 0.258 -5.493 777 HE2 TYR 100 2HE TYR 100 -9.825 -2.093 -4.003 778 HH TYR 100 HH TYR 100 -9.316 0.145 -6.093 779 H SER 101 HN SER 101 -5.499 -1.062 -2.169 780 HA SER 101 HA SER 101 -7.264 -1.829 -0.001 781 HB2 SER 101 2HB SER 101 -6.024 0.128 1.362 782 HB3 SER 101 1HB SER 101 -5.624 -1.577 1.541 783 HG SER 101 HG SER 101 -4.423 0.144 -0.367 784 H GLU 102 HN GLU 102 -8.789 -0.350 0.540 785 HA GLU 102 HA GLU 102 -8.850 2.140 -1.066 786 HB2 GLU 102 2HB GLU 102 -11.318 0.596 -0.272 787 HB3 GLU 102 1HB GLU 102 -11.152 1.846 -1.506 788 HG2 GLU 102 2HG GLU 102 -9.475 0.210 -2.627 789 HG3 GLU 102 1HG GLU 102 -10.209 -1.013 -1.591 790 H GLY 103 HN GLY 103 -8.923 3.894 0.158 791 HA2 GLY 103 2HA GLY 103 -10.338 3.824 2.737 792 HA3 GLY 103 1HA GLY 103 -8.647 4.305 2.737 793 H GLU 104 HN GLU 104 -9.460 6.304 3.660 794 HA GLU 104 HA GLU 104 -10.196 8.195 1.538 795 HB2 GLU 104 2HB GLU 104 -11.817 7.473 3.857 796 HB3 GLU 104 1HB GLU 104 -11.496 9.206 3.760 797 HG2 GLU 104 2HG GLU 104 -12.390 9.330 1.534 798 HG3 GLU 104 1HG GLU 104 -12.474 7.574 1.404 799 H LEU 105 HN LEU 105 -9.183 10.127 1.662 800 HA LEU 105 HA LEU 105 -7.579 10.705 4.069 801 HB2 LEU 105 2HB LEU 105 -6.214 9.775 2.134 802 HB3 LEU 105 1HB LEU 105 -6.636 11.241 1.249 803 HG LEU 105 HG LEU 105 -5.810 12.342 3.577 804 HD11 LEU 105 1HD1 LEU 105 -4.113 9.855 3.198 805 HD12 LEU 105 2HD1 LEU 105 -5.241 10.119 4.528 806 HD13 LEU 105 3HD1 LEU 105 -3.816 11.145 4.364 807 HD21 LEU 105 1HD2 LEU 105 -4.207 11.495 1.154 808 HD22 LEU 105 2HD2 LEU 105 -3.535 12.535 2.411 809 HD23 LEU 105 3HD2 LEU 105 -4.933 13.069 1.478 810 H HIS 106 HN HIS 106 -8.679 12.363 4.899 811 HA HIS 106 HA HIS 106 -9.443 14.501 5.149 812 HB2 HIS 106 2HB HIS 106 -8.425 15.177 2.399 813 HB3 HIS 106 1HB HIS 106 -8.590 16.229 3.804 814 HD1 HIS 106 1HD HIS 106 -7.240 14.383 5.914 815 HD2 HIS 106 2HD HIS 106 -5.634 15.212 2.158 816 HE1 HIS 106 1HE HIS 106 -4.746 13.984 6.099 817 H GLY 107 HN GLY 107 -11.140 12.461 4.102 818 HA2 GLY 107 2HA GLY 107 -13.350 12.417 3.425 819 HA3 GLY 107 1HA GLY 107 -13.247 14.144 3.100 820 H LYS 108 HN LYS 108 -10.828 12.143 1.681 821 HA LYS 108 HA LYS 108 -12.275 12.152 -0.893 822 HB2 LYS 108 2HB LYS 108 -9.316 12.694 -0.585 823 HB3 LYS 108 1HB LYS 108 -10.269 12.796 -2.062 824 HG2 LYS 108 2HG LYS 108 -10.816 14.519 0.372 825 HG3 LYS 108 1HG LYS 108 -9.759 15.023 -0.943 826 HD2 LYS 108 2HD LYS 108 -11.712 14.565 -2.522 827 HD3 LYS 108 1HD LYS 108 -12.721 14.421 -1.081 828 HE2 LYS 108 2HE LYS 108 -12.977 16.677 -1.541 829 HE3 LYS 108 1HE LYS 108 -11.591 16.730 -0.453 830 HZ1 LYS 108 1HZ LYS 108 -11.299 18.030 -2.522 831 HZ2 LYS 108 2HZ LYS 108 -11.379 16.584 -3.410 832 HZ3 LYS 108 3HZ LYS 108 -10.114 16.837 -2.303 833 HA PRO 109 HA PRO 109 -11.104 7.837 -0.605 834 HB2 PRO 109 2HB PRO 109 -11.598 7.062 -3.189 835 HB3 PRO 109 1HB PRO 109 -12.867 7.296 -1.973 836 HG2 PRO 109 2HG PRO 109 -12.008 9.086 -4.182 837 HG3 PRO 109 1HG PRO 109 -13.630 8.773 -3.542 838 HD2 PRO 109 2HD PRO 109 -12.182 11.024 -2.936 839 HD3 PRO 109 1HD PRO 109 -13.415 10.336 -1.858 840 H VAL 110 HN VAL 110 -9.288 6.611 -0.951 841 HA VAL 110 HA VAL 110 -7.475 7.304 -3.118 842 HB VAL 110 HB VAL 110 -5.556 7.679 -1.739 843 HG11 VAL 110 1HG1 VAL 110 -7.136 9.600 -2.080 844 HG12 VAL 110 2HG1 VAL 110 -6.163 9.737 -0.616 845 HG13 VAL 110 3HG1 VAL 110 -7.849 9.233 -0.510 846 HG21 VAL 110 1HG2 VAL 110 -6.089 7.822 0.847 847 HG22 VAL 110 2HG2 VAL 110 -5.699 6.270 0.104 848 HG23 VAL 110 3HG2 VAL 110 -7.380 6.695 0.429 849 H ARG 111 HN ARG 111 -7.084 5.449 -4.064 850 HA ARG 111 HA ARG 111 -6.693 3.053 -2.402 851 HB2 ARG 111 2HB ARG 111 -7.671 3.043 -5.258 852 HB3 ARG 111 1HB ARG 111 -7.696 1.718 -4.094 853 HG2 ARG 111 2HG ARG 111 -9.793 2.340 -3.562 854 HG3 ARG 111 1HG ARG 111 -9.105 3.792 -2.837 855 HD2 ARG 111 2HD ARG 111 -9.919 3.504 -5.743 856 HD3 ARG 111 1HD ARG 111 -10.847 4.346 -4.505 857 HE ARG 111 HE ARG 111 -8.171 5.354 -4.688 858 HH11 ARG 111 1HH1 ARG 111 -7.923 7.420 -5.603 859 HH12 ARG 111 2HH1 ARG 111 -9.206 8.105 -6.543 860 HH21 ARG 111 1HH2 ARG 111 -11.303 5.371 -6.156 861 HH22 ARG 111 2HH2 ARG 111 -11.119 6.945 -6.856 862 H GLY 112 HN GLY 112 -5.044 1.639 -3.033 863 HA2 GLY 112 2HA GLY 112 -3.335 2.352 -5.271 864 HA3 GLY 112 1HA GLY 112 -2.616 2.569 -3.682 865 H VAL 113 HN VAL 113 -1.566 0.845 -5.549 866 HA VAL 113 HA VAL 113 -2.159 -1.816 -4.408 867 HB VAL 113 HB VAL 113 -0.733 -1.477 -7.024 868 HG11 VAL 113 1HG1 VAL 113 -1.737 -3.637 -7.489 869 HG12 VAL 113 2HG1 VAL 113 -2.720 -3.519 -6.019 870 HG13 VAL 113 3HG1 VAL 113 -0.967 -3.677 -5.895 871 HG21 VAL 113 1HG2 VAL 113 -3.278 -1.848 -7.871 872 HG22 VAL 113 2HG2 VAL 113 -2.503 -0.265 -7.797 873 HG23 VAL 113 3HG2 VAL 113 -3.563 -0.790 -6.492 874 H LYS 114 HN LYS 114 -0.440 -2.930 -3.537 875 HA LYS 114 HA LYS 114 2.243 -1.745 -3.872 876 HB2 LYS 114 2HB LYS 114 1.802 -3.173 -1.365 877 HB3 LYS 114 1HB LYS 114 2.526 -1.586 -1.652 878 HG2 LYS 114 2HG LYS 114 0.248 -0.644 -2.008 879 HG3 LYS 114 1HG LYS 114 -0.436 -2.215 -1.615 880 HD2 LYS 114 2HD LYS 114 0.274 -2.106 0.625 881 HD3 LYS 114 1HD LYS 114 1.428 -0.826 0.266 882 HE2 LYS 114 2HE LYS 114 -0.186 0.825 0.220 883 HE3 LYS 114 1HE LYS 114 -1.449 -0.291 -0.304 884 HZ1 LYS 114 1HZ LYS 114 -1.966 -0.812 1.795 885 HZ2 LYS 114 2HZ LYS 114 -1.160 0.625 2.207 886 HZ3 LYS 114 3HZ LYS 114 -0.348 -0.864 2.304 887 H LEU 115 HN LEU 115 3.833 -3.111 -4.404 888 HA LEU 115 HA LEU 115 3.161 -5.968 -4.670 889 HB2 LEU 115 2HB LEU 115 3.936 -4.940 -6.740 890 HB3 LEU 115 1HB LEU 115 5.338 -4.267 -5.927 891 HG LEU 115 HG LEU 115 6.241 -6.497 -5.541 892 HD11 LEU 115 1HD1 LEU 115 4.905 -8.391 -6.783 893 HD12 LEU 115 2HD1 LEU 115 3.540 -7.303 -6.562 894 HD13 LEU 115 3HD1 LEU 115 4.417 -7.911 -5.157 895 HD21 LEU 115 1HD2 LEU 115 6.367 -7.293 -7.975 896 HD22 LEU 115 2HD2 LEU 115 6.883 -5.634 -7.666 897 HD23 LEU 115 3HD2 LEU 115 5.291 -5.946 -8.358 898 H VAL 116 HN VAL 116 3.957 -7.303 -3.215 899 HA VAL 116 HA VAL 116 6.368 -6.476 -1.740 900 HB VAL 116 HB VAL 116 5.554 -7.418 0.214 901 HG11 VAL 116 1HG1 VAL 116 3.294 -6.129 -1.319 902 HG12 VAL 116 2HG1 VAL 116 4.242 -5.473 0.011 903 HG13 VAL 116 3HG1 VAL 116 3.043 -6.734 0.308 904 HG21 VAL 116 1HG2 VAL 116 4.866 -9.577 -0.433 905 HG22 VAL 116 2HG2 VAL 116 3.710 -8.962 -1.597 906 HG23 VAL 116 3HG2 VAL 116 3.381 -8.828 0.127 907 H GLY 117 HN GLY 117 8.092 -7.850 -1.767 908 HA2 GLY 117 2HA GLY 117 7.588 -10.615 -2.651 909 HA3 GLY 117 1HA GLY 117 8.661 -9.624 -3.617 910 H ARG 118 HN ARG 118 8.212 -11.192 -0.553 911 HA ARG 118 HA ARG 118 9.636 -11.532 1.256 912 HB2 ARG 118 2HB ARG 118 9.550 -13.488 -0.317 913 HB3 ARG 118 1HB ARG 118 11.081 -12.929 -0.987 914 HG2 ARG 118 2HG ARG 118 12.123 -14.063 0.657 915 HG3 ARG 118 1HG ARG 118 11.459 -12.896 1.798 916 HD2 ARG 118 2HD ARG 118 10.784 -15.051 2.581 917 HD3 ARG 118 1HD ARG 118 9.354 -14.322 1.857 918 HE ARG 118 HE ARG 118 9.383 -16.017 0.278 919 HH11 ARG 118 1HH1 ARG 118 10.270 -17.838 -0.753 920 HH12 ARG 118 2HH1 ARG 118 11.911 -18.290 -0.440 921 HH21 ARG 118 1HH2 ARG 118 12.486 -15.682 1.771 922 HH22 ARG 118 2HH2 ARG 118 13.167 -17.069 0.989 923 H ASP 119 HN ASP 119 11.823 -11.129 -1.471 924 HA ASP 119 HA ASP 119 13.584 -9.473 0.237 925 HB2 ASP 119 2HB ASP 119 14.079 -11.912 -1.271 926 HB3 ASP 119 1HB ASP 119 15.190 -10.619 -1.718 927 HA PRO 120 HA PRO 120 13.607 -6.215 -2.707 928 HB2 PRO 120 2HB PRO 120 16.369 -6.046 -3.291 929 HB3 PRO 120 1HB PRO 120 15.494 -5.151 -2.038 930 HG2 PRO 120 2HG PRO 120 17.174 -7.567 -1.809 931 HG3 PRO 120 1HG PRO 120 16.858 -6.286 -0.627 932 HD2 PRO 120 2HD PRO 120 15.753 -8.758 -0.412 933 HD3 PRO 120 1HD PRO 120 14.915 -7.296 0.149 934 H LYS 121 HN LYS 121 14.644 -9.323 -3.480 935 HA LYS 121 HA LYS 121 15.676 -9.236 -6.027 936 HB2 LYS 121 2HB LYS 121 14.884 -11.250 -4.472 937 HB3 LYS 121 1HB LYS 121 13.477 -11.189 -5.535 938 HG2 LYS 121 2HG LYS 121 16.366 -11.437 -6.428 939 HG3 LYS 121 1HG LYS 121 15.164 -12.728 -6.446 940 HD2 LYS 121 2HD LYS 121 13.755 -11.110 -7.906 941 HD3 LYS 121 1HD LYS 121 15.270 -10.237 -8.142 942 HE2 LYS 121 2HE LYS 121 16.091 -12.792 -8.603 943 HE3 LYS 121 1HE LYS 121 14.429 -12.875 -9.188 944 HZ1 LYS 121 1HZ LYS 121 16.282 -10.704 -9.974 945 HZ2 LYS 121 2HZ LYS 121 14.809 -11.142 -10.700 946 HZ3 LYS 121 3HZ LYS 121 16.165 -12.155 -10.845 947 H ASN 122 HN ASN 122 15.026 -8.115 -7.735 948 HA ASN 122 HA ASN 122 12.273 -7.249 -8.001 949 HB2 ASN 122 2HB ASN 122 13.516 -6.512 -10.329 950 HB3 ASN 122 1HB ASN 122 13.473 -5.539 -8.859 951 HD21 ASN 122 1HD2 ASN 122 15.365 -5.880 -7.313 952 HD22 ASN 122 2HD2 ASN 122 16.873 -6.294 -7.974 953 H ASN 123 HN ASN 123 10.894 -8.853 -8.588 954 HA ASN 123 HA ASN 123 11.669 -10.721 -10.704 955 HB2 ASN 123 2HB ASN 123 9.583 -10.632 -8.603 956 HB3 ASN 123 1HB ASN 123 9.108 -11.379 -10.126 957 HD21 ASN 123 1HD2 ASN 123 11.409 -12.686 -10.950 958 HD22 ASN 123 2HD2 ASN 123 11.883 -13.832 -9.790 959 H LEU 124 HN LEU 124 11.686 -9.476 -12.544 960 HA LEU 124 HA LEU 124 9.988 -7.481 -13.332 961 HB2 LEU 124 2HB LEU 124 10.439 -8.283 -15.702 962 HB3 LEU 124 1HB LEU 124 11.869 -7.988 -14.713 963 HG LEU 124 HG LEU 124 10.918 -10.705 -14.350 964 HD11 LEU 124 1HD1 LEU 124 10.057 -10.581 -16.599 965 HD12 LEU 124 2HD1 LEU 124 11.585 -11.457 -16.671 966 HD13 LEU 124 3HD1 LEU 124 11.514 -9.767 -17.168 967 HD21 LEU 124 1HD2 LEU 124 13.182 -9.819 -13.808 968 HD22 LEU 124 2HD2 LEU 124 13.478 -9.578 -15.529 969 HD23 LEU 124 3HD2 LEU 124 13.255 -11.207 -14.892 970 H GLU 125 HN GLU 125 9.404 -10.929 -13.357 971 HA GLU 125 HA GLU 125 7.015 -10.844 -14.890 972 HB2 GLU 125 2HB GLU 125 8.250 -12.821 -12.987 973 HB3 GLU 125 1HB GLU 125 6.628 -13.087 -13.633 974 HG2 GLU 125 2HG GLU 125 7.433 -13.108 -15.888 975 HG3 GLU 125 1HG GLU 125 9.011 -12.497 -15.399 976 H ALA 126 HN ALA 126 7.786 -10.578 -11.487 977 HA ALA 126 HA ALA 126 5.086 -10.588 -10.570 978 HB1 ALA 126 1HB ALA 126 7.036 -11.055 -9.088 979 HB2 ALA 126 2HB ALA 126 5.991 -9.778 -8.467 980 HB3 ALA 126 3HB ALA 126 7.519 -9.365 -9.244 981 H LEU 127 HN LEU 127 7.429 -8.057 -11.464 982 HA LEU 127 HA LEU 127 5.835 -5.873 -10.739 983 HB2 LEU 127 2HB LEU 127 8.213 -6.331 -12.367 984 HB3 LEU 127 1HB LEU 127 7.203 -5.038 -13.009 985 HG LEU 127 HG LEU 127 7.974 -5.190 -10.088 986 HD11 LEU 127 1HD1 LEU 127 10.068 -5.022 -11.223 987 HD12 LEU 127 2HD1 LEU 127 9.647 -3.375 -10.751 988 HD13 LEU 127 3HD1 LEU 127 9.411 -3.903 -12.417 989 HD21 LEU 127 1HD2 LEU 127 6.111 -3.658 -11.457 990 HD22 LEU 127 2HD2 LEU 127 7.520 -2.598 -11.390 991 HD23 LEU 127 3HD2 LEU 127 6.828 -3.240 -9.901 992 H GLU 128 HN GLU 128 5.928 -7.830 -13.680 993 HA GLU 128 HA GLU 128 4.091 -6.228 -15.145 994 HB2 GLU 128 2HB GLU 128 5.493 -8.709 -15.506 995 HB3 GLU 128 1HB GLU 128 3.790 -8.949 -15.898 996 HG2 GLU 128 2HG GLU 128 3.856 -6.996 -17.401 997 HG3 GLU 128 1HG GLU 128 5.556 -6.747 -17.006 998 H ASP 129 HN ASP 129 3.731 -9.081 -13.060 999 HA ASP 129 HA ASP 129 0.948 -9.371 -13.370 1000 HB2 ASP 129 2HB ASP 129 1.185 -11.054 -11.900 1001 HB3 ASP 129 1HB ASP 129 2.904 -10.668 -11.881 1002 H PHE 130 HN PHE 130 2.877 -7.424 -11.135 1003 HA PHE 130 HA PHE 130 0.694 -6.389 -9.666 1004 HB2 PHE 130 2HB PHE 130 2.883 -6.168 -8.757 1005 HB3 PHE 130 1HB PHE 130 3.506 -5.450 -10.241 1006 HD1 PHE 130 1HD PHE 130 1.635 -4.900 -7.171 1007 HD2 PHE 130 2HD PHE 130 2.933 -3.119 -10.850 1008 HE1 PHE 130 1HE PHE 130 1.121 -2.684 -6.278 1009 HE2 PHE 130 2HE PHE 130 2.400 -0.867 -9.947 1010 HZ PHE 130 HZ PHE 130 1.489 -0.647 -7.649 1011 H GLU 131 HN GLU 131 2.557 -5.242 -12.441 1012 HA GLU 131 HA GLU 131 1.202 -2.840 -12.896 1013 HB2 GLU 131 2HB GLU 131 3.365 -3.765 -13.994 1014 HB3 GLU 131 1HB GLU 131 2.270 -4.526 -15.150 1015 HG2 GLU 131 2HG GLU 131 2.531 -2.517 -16.229 1016 HG3 GLU 131 1HG GLU 131 1.223 -2.047 -15.144 1017 H LYS 132 HN LYS 132 0.140 -6.093 -13.330 1018 HA LYS 132 HA LYS 132 -1.911 -5.317 -15.249 1019 HB2 LYS 132 2HB LYS 132 -1.383 -7.928 -13.798 1020 HB3 LYS 132 1HB LYS 132 -2.716 -7.674 -14.921 1021 HG2 LYS 132 2HG LYS 132 0.028 -6.953 -15.847 1022 HG3 LYS 132 1HG LYS 132 -0.380 -8.665 -15.749 1023 HD2 LYS 132 2HD LYS 132 -2.183 -8.430 -17.272 1024 HD3 LYS 132 1HD LYS 132 -2.188 -6.673 -17.103 1025 HE2 LYS 132 2HE LYS 132 -1.155 -7.322 -19.239 1026 HE3 LYS 132 1HE LYS 132 0.038 -6.570 -18.179 1027 HZ1 LYS 132 1HZ LYS 132 1.224 -8.396 -18.630 1028 HZ2 LYS 132 2HZ LYS 132 -0.128 -9.289 -19.137 1029 HZ3 LYS 132 3HZ LYS 132 0.229 -9.150 -17.483 1030 H ALA 133 HN ALA 133 -1.435 -6.077 -11.867 1031 HA ALA 133 HA ALA 133 -4.132 -5.980 -11.071 1032 HB1 ALA 133 1HB ALA 133 -2.316 -6.823 -9.609 1033 HB2 ALA 133 2HB ALA 133 -3.284 -5.588 -8.806 1034 HB3 ALA 133 3HB ALA 133 -1.698 -5.179 -9.459 1035 H ALA 134 HN ALA 134 -1.651 -3.403 -11.113 1036 HA ALA 134 HA ALA 134 -3.394 -1.372 -10.234 1037 HB1 ALA 134 1HB ALA 134 -1.260 -0.537 -10.205 1038 HB2 ALA 134 2HB ALA 134 -1.693 0.001 -11.829 1039 HB3 ALA 134 3HB ALA 134 -0.765 -1.482 -11.611 1040 H GLY 135 HN GLY 135 -2.499 -2.579 -13.445 1041 HA2 GLY 135 2HA GLY 135 -4.050 -0.829 -14.958 1042 HA3 GLY 135 1HA GLY 135 -3.679 -2.487 -15.432 1043 H ALA 136 HN ALA 136 -4.889 -4.035 -13.696 1044 HA ALA 136 HA ALA 136 -7.578 -4.070 -14.423 1045 HB1 ALA 136 1HB ALA 136 -6.443 -6.074 -13.645 1046 HB2 ALA 136 2HB ALA 136 -7.834 -5.755 -12.611 1047 HB3 ALA 136 3HB ALA 136 -6.212 -5.358 -12.049 1048 H ARG 137 HN ARG 137 -5.965 -2.210 -12.000 1049 HA ARG 137 HA ARG 137 -8.527 -1.570 -10.702 1050 HB2 ARG 137 2HB ARG 137 -5.698 -0.994 -9.790 1051 HB3 ARG 137 1HB ARG 137 -7.172 -0.688 -8.872 1052 HG2 ARG 137 2HG ARG 137 -6.824 -3.468 -9.858 1053 HG3 ARG 137 1HG ARG 137 -5.696 -2.950 -8.608 1054 HD2 ARG 137 2HD ARG 137 -7.961 -4.000 -7.909 1055 HD3 ARG 137 1HD ARG 137 -7.394 -2.568 -7.060 1056 HE ARG 137 HE ARG 137 -8.893 -1.440 -8.950 1057 HH11 ARG 137 1HH1 ARG 137 -11.151 -1.219 -8.971 1058 HH12 ARG 137 2HH1 ARG 137 -12.136 -2.358 -8.115 1059 HH21 ARG 137 1HH2 ARG 137 -9.454 -4.225 -6.964 1060 HH22 ARG 137 2HH2 ARG 137 -11.176 -4.057 -6.982 1061 H GLY 138 HN GLY 138 -6.752 -0.617 -13.208 1062 HA2 GLY 138 2HA GLY 138 -6.645 1.307 -14.469 1063 HA3 GLY 138 1HA GLY 138 -7.929 1.937 -13.442 1064 H LEU 139 HN LEU 139 -4.820 0.883 -12.233 1065 HA LEU 139 HA LEU 139 -4.231 3.667 -11.472 1066 HB2 LEU 139 2HB LEU 139 -3.182 1.135 -10.198 1067 HB3 LEU 139 1HB LEU 139 -3.009 2.783 -9.592 1068 HG LEU 139 HG LEU 139 -5.645 1.335 -9.974 1069 HD11 LEU 139 1HD1 LEU 139 -4.845 0.323 -8.067 1070 HD12 LEU 139 2HD1 LEU 139 -5.526 1.778 -7.344 1071 HD13 LEU 139 3HD1 LEU 139 -3.793 1.677 -7.659 1072 HD21 LEU 139 1HD2 LEU 139 -4.850 4.111 -9.270 1073 HD22 LEU 139 2HD2 LEU 139 -6.191 3.416 -8.366 1074 HD23 LEU 139 3HD2 LEU 139 -6.281 3.538 -10.123 1075 H SER 140 HN SER 140 -3.562 1.904 -13.926 1076 HA SER 140 HA SER 140 -0.714 1.626 -13.893 1077 HB2 SER 140 2HB SER 140 -1.308 0.312 -15.617 1078 HB3 SER 140 1HB SER 140 -2.901 1.057 -15.706 1079 HG SER 140 HG SER 140 -1.924 2.767 -16.886 1080 H THR 141 HN THR 141 -2.314 4.346 -13.559 1081 HA THR 141 HA THR 141 -0.397 5.889 -15.192 1082 HB THR 141 HB THR 141 -2.383 7.600 -15.313 1083 HG1 THR 141 1HG THR 141 -3.507 5.412 -14.248 1084 HG21 THR 141 1HG2 THR 141 -3.153 6.412 -17.432 1085 HG22 THR 141 2HG2 THR 141 -2.073 5.094 -16.977 1086 HG23 THR 141 3HG2 THR 141 -1.418 6.698 -17.305 1087 H GLU 142 HN GLU 142 -1.100 5.108 -12.158 1088 HA GLU 142 HA GLU 142 -1.378 7.691 -10.926 1089 HB2 GLU 142 2HB GLU 142 -0.666 4.957 -9.868 1090 HB3 GLU 142 1HB GLU 142 -0.643 6.369 -8.826 1091 HG2 GLU 142 2HG GLU 142 -3.036 6.809 -9.654 1092 HG3 GLU 142 1HG GLU 142 -2.991 5.151 -10.239 1093 H SER 143 HN SER 143 0.867 6.908 -8.927 1094 HA SER 143 HA SER 143 2.969 8.297 -10.416 1095 HB2 SER 143 2HB SER 143 2.357 8.080 -7.483 1096 HB3 SER 143 1HB SER 143 3.900 8.688 -8.074 1097 HG SER 143 HG SER 143 2.474 10.101 -9.435 1098 H ILE 144 HN ILE 144 2.201 5.191 -9.295 1099 HA ILE 144 HA ILE 144 3.592 3.478 -8.448 1100 HB ILE 144 HB ILE 144 2.808 3.391 -10.889 1101 HG12 ILE 144 2HG1 ILE 144 3.274 1.425 -9.578 1102 HG13 ILE 144 1HG1 ILE 144 3.968 1.216 -11.184 1103 HG21 ILE 144 1HG2 ILE 144 5.756 3.351 -11.467 1104 HG22 ILE 144 2HG2 ILE 144 4.800 4.823 -11.647 1105 HG23 ILE 144 3HG2 ILE 144 4.412 3.396 -12.605 1106 HD11 ILE 144 1HD1 ILE 144 5.376 1.791 -8.586 1107 HD12 ILE 144 2HD1 ILE 144 6.142 2.163 -10.130 1108 HD13 ILE 144 3HD1 ILE 144 5.687 0.508 -9.749 1109 H LEU 145 HN LEU 145 5.193 3.588 -7.135 1110 HA LEU 145 HA LEU 145 7.789 4.474 -8.184 1111 HB2 LEU 145 2HB LEU 145 6.929 6.323 -6.888 1112 HB3 LEU 145 1HB LEU 145 6.517 5.254 -5.555 1113 HG LEU 145 HG LEU 145 8.978 4.745 -5.288 1114 HD11 LEU 145 1HD1 LEU 145 10.526 6.438 -6.349 1115 HD12 LEU 145 2HD1 LEU 145 9.184 6.909 -7.395 1116 HD13 LEU 145 3HD1 LEU 145 9.839 5.275 -7.479 1117 HD21 LEU 145 1HD2 LEU 145 7.802 7.483 -4.983 1118 HD22 LEU 145 2HD2 LEU 145 9.492 7.216 -4.559 1119 HD23 LEU 145 3HD2 LEU 145 8.224 6.306 -3.740 1120 H ILE 146 HN ILE 146 9.577 3.536 -7.285 1121 HA ILE 146 HA ILE 146 9.122 1.091 -5.698 1122 HB ILE 146 HB ILE 146 11.529 1.518 -7.449 1123 HG12 ILE 146 2HG1 ILE 146 8.825 0.417 -8.277 1124 HG13 ILE 146 1HG1 ILE 146 9.604 1.863 -8.919 1125 HG21 ILE 146 1HG2 ILE 146 10.127 -1.082 -6.962 1126 HG22 ILE 146 2HG2 ILE 146 11.048 -0.375 -5.635 1127 HG23 ILE 146 3HG2 ILE 146 11.851 -0.759 -7.158 1128 HD11 ILE 146 1HD1 ILE 146 10.229 -1.009 -9.423 1129 HD12 ILE 146 2HD1 ILE 146 11.586 0.118 -9.372 1130 HD13 ILE 146 3HD1 ILE 146 10.278 0.363 -10.531 1131 HA PRO 147 HA PRO 147 11.641 4.124 -3.291 1132 HB2 PRO 147 2HB PRO 147 10.500 3.670 -0.861 1133 HB3 PRO 147 1HB PRO 147 9.820 4.783 -2.061 1134 HG2 PRO 147 2HG PRO 147 8.992 2.033 -1.342 1135 HG3 PRO 147 1HG PRO 147 8.007 3.420 -1.830 1136 HD2 PRO 147 2HD PRO 147 8.697 1.316 -3.489 1137 HD3 PRO 147 1HD PRO 147 8.201 2.923 -4.059 1138 H ARG 148 HN ARG 148 13.594 3.601 -2.620 1139 HA ARG 148 HA ARG 148 14.649 1.094 -2.325 1140 HB2 ARG 148 2HB ARG 148 15.614 3.656 -2.017 1141 HB3 ARG 148 1HB ARG 148 15.789 2.985 -0.396 1142 HG2 ARG 148 2HG ARG 148 16.958 1.016 -1.350 1143 HG3 ARG 148 1HG ARG 148 16.821 1.731 -2.957 1144 HD2 ARG 148 2HD ARG 148 18.760 2.798 -2.554 1145 HD3 ARG 148 1HD ARG 148 17.899 3.763 -1.360 1146 HE ARG 148 HE ARG 148 18.674 1.295 -0.200 1147 HH11 ARG 148 1HH1 ARG 148 20.462 1.286 1.199 1148 HH12 ARG 148 2HH1 ARG 148 21.604 2.589 1.145 1149 HH21 ARG 148 1HH2 ARG 148 19.944 4.291 -1.380 1150 HH22 ARG 148 2HH2 ARG 148 21.310 4.289 -0.314 1151 H GLN 149 HN GLN 149 14.584 -0.485 -0.849 1152 HA GLN 149 HA GLN 149 12.813 -0.179 1.422 1153 HB2 GLN 149 2HB GLN 149 14.433 -2.640 0.867 1154 HB3 GLN 149 1HB GLN 149 12.801 -2.500 1.527 1155 HG2 GLN 149 2HG GLN 149 12.359 -1.356 -0.857 1156 HG3 GLN 149 1HG GLN 149 13.713 -2.387 -1.312 1157 HE21 GLN 149 1HE2 GLN 149 12.920 -4.281 -2.195 1158 HE22 GLN 149 2HE2 GLN 149 11.575 -5.142 -1.616 1159 H SER 150 HN SER 150 14.754 1.532 1.942 1160 HA SER 150 HA SER 150 17.103 0.710 3.159 1161 HB2 SER 150 2HB SER 150 17.189 2.847 4.160 1162 HB3 SER 150 1HB SER 150 16.268 3.095 2.679 1163 HG SER 150 HG SER 150 15.224 2.670 5.288 1164 H GLU 151 HN GLU 151 17.374 -0.700 4.728 1165 HA GLU 151 HA GLU 151 15.619 -1.986 6.271 1166 HB2 GLU 151 2HB GLU 151 18.183 -1.020 7.515 1167 HB3 GLU 151 1HB GLU 151 17.369 -2.569 7.738 1168 HG2 GLU 151 2HG GLU 151 17.748 -2.929 5.215 1169 HG3 GLU 151 1HG GLU 151 18.884 -1.587 5.320 1170 H THR 152 HN THR 152 16.481 1.360 6.703 1171 HA THR 152 HA THR 152 14.425 1.591 8.758 1172 HB THR 152 HB THR 152 15.892 1.656 10.457 1173 HG1 THR 152 1HG THR 152 16.530 3.635 10.812 1174 HG21 THR 152 1HG2 THR 152 18.014 1.844 8.308 1175 HG22 THR 152 2HG2 THR 152 17.560 0.423 9.247 1176 HG23 THR 152 3HG2 THR 152 18.385 1.770 10.030 1177 H CYS 153 HN CYS 153 13.948 3.892 9.258 1178 HA CYS 153 HA CYS 153 13.998 5.443 6.812 1179 HB2 CYS 153 2HB CYS 153 12.169 6.516 7.635 1180 HB3 CYS 153 1HB CYS 153 12.091 5.120 8.709 1181 H SER 154 HN SER 154 15.250 7.127 6.418 1182 HA SER 154 HA SER 154 16.793 8.338 8.624 1183 HB2 SER 154 2HB SER 154 17.921 7.675 5.903 1184 HB3 SER 154 1HB SER 154 18.791 8.345 7.280 1185 HG SER 154 HG SER 154 17.415 6.055 7.865 1186 HA PRO 155 HA PRO 155 14.913 11.640 6.031 1187 HB2 PRO 155 2HB PRO 155 14.048 13.253 8.037 1188 HB3 PRO 155 1HB PRO 155 13.146 11.822 7.515 1189 HG2 PRO 155 2HG PRO 155 14.862 12.196 9.901 1190 HG3 PRO 155 1HG PRO 155 13.377 11.253 9.710 1191 HD2 PRO 155 2HD PRO 155 15.967 10.205 9.684 1192 HD3 PRO 155 1HD PRO 155 14.523 9.379 9.062 1193 H GLY 156 HN GLY 156 15.644 13.597 8.759 1194 HA2 GLY 156 2HA GLY 156 17.011 15.506 8.770 1195 HA3 GLY 156 1HA GLY 156 18.199 14.222 8.958 1196 H SER 157 HN SER 157 19.384 13.518 7.143 1197 HA SER 157 HA SER 157 19.241 15.254 4.758 1198 HB2 SER 157 2HB SER 157 21.128 16.199 5.666 1199 HB3 SER 157 1HB SER 157 21.542 14.753 6.582 1200 HG SER 157 HG SER 157 22.811 15.374 4.584 1201 H ASP 158 HN ASP 158 21.634 12.789 5.514 1202 HA ASP 158 HA ASP 158 20.351 10.941 3.610 1203 HB2 ASP 158 2HB ASP 158 23.253 11.800 3.549 1204 HB3 ASP 158 1HB ASP 158 22.561 10.501 2.578 Start of MODEL 14 1 H1 HIS 1 1HT HIS 1 -10.366 -12.542 -9.723 2 H2 HIS 1 2HT HIS 1 -10.708 -14.206 -9.660 3 H3 HIS 1 3HT HIS 1 -9.398 -13.569 -8.782 4 HA HIS 1 HA HIS 1 -10.826 -12.406 -7.305 5 HB2 HIS 1 2HB HIS 1 -12.501 -12.087 -9.334 6 HB3 HIS 1 1HB HIS 1 -13.251 -13.534 -8.658 7 HD1 HIS 1 1HD HIS 1 -14.550 -13.286 -6.485 8 HD2 HIS 1 2HD HIS 1 -12.471 -9.822 -7.509 9 HE1 HIS 1 1HE HIS 1 -15.335 -11.481 -4.889 10 H HIS 2 HN HIS 2 -10.287 -15.435 -8.502 11 HA HIS 2 HA HIS 2 -11.822 -16.898 -6.496 12 HB2 HIS 2 2HB HIS 2 -10.654 -17.516 -9.032 13 HB3 HIS 2 1HB HIS 2 -9.958 -18.587 -7.817 14 HD1 HIS 2 1HD HIS 2 -11.788 -19.845 -6.239 15 HD2 HIS 2 2HD HIS 2 -13.233 -18.209 -9.790 16 HE1 HIS 2 1HE HIS 2 -14.038 -20.926 -6.661 17 H LEU 3 HN LEU 3 -8.390 -17.036 -7.473 18 HA LEU 3 HA LEU 3 -7.305 -18.236 -5.284 19 HB2 LEU 3 2HB LEU 3 -6.289 -16.115 -7.131 20 HB3 LEU 3 1HB LEU 3 -5.327 -16.529 -5.712 21 HG LEU 3 HG LEU 3 -5.336 -18.897 -6.375 22 HD11 LEU 3 1HD1 LEU 3 -7.470 -19.060 -7.485 23 HD12 LEU 3 2HD1 LEU 3 -6.230 -19.442 -8.680 24 HD13 LEU 3 3HD1 LEU 3 -7.000 -17.854 -8.684 25 HD21 LEU 3 1HD2 LEU 3 -4.448 -18.081 -8.940 26 HD22 LEU 3 2HD2 LEU 3 -3.465 -18.327 -7.498 27 HD23 LEU 3 3HD2 LEU 3 -4.126 -16.731 -7.853 28 H LEU 4 HN LEU 4 -7.015 -14.702 -5.556 29 HA LEU 4 HA LEU 4 -6.928 -13.085 -3.969 30 HB2 LEU 4 2HB LEU 4 -9.412 -14.573 -3.597 31 HB3 LEU 4 1HB LEU 4 -8.922 -13.710 -2.147 32 HG LEU 4 HG LEU 4 -8.993 -12.418 -4.875 33 HD11 LEU 4 1HD1 LEU 4 -11.049 -12.239 -2.652 34 HD12 LEU 4 2HD1 LEU 4 -11.257 -13.201 -4.117 35 HD13 LEU 4 3HD1 LEU 4 -11.124 -11.444 -4.226 36 HD21 LEU 4 1HD2 LEU 4 -7.862 -11.650 -2.405 37 HD22 LEU 4 2HD2 LEU 4 -9.359 -10.734 -2.542 38 HD23 LEU 4 3HD2 LEU 4 -8.141 -10.617 -3.807 39 H ALA 5 HN ALA 5 -8.109 -14.882 -1.286 40 HA ALA 5 HA ALA 5 -5.359 -15.345 -0.319 41 HB1 ALA 5 1HB ALA 5 -6.302 -13.196 0.556 42 HB2 ALA 5 2HB ALA 5 -5.925 -14.370 1.819 43 HB3 ALA 5 3HB ALA 5 -7.596 -14.126 1.311 44 H SER 6 HN SER 6 -7.486 -15.703 2.170 45 HA SER 6 HA SER 6 -8.830 -18.100 1.749 46 HB2 SER 6 2HB SER 6 -6.975 -19.461 3.159 47 HB3 SER 6 1HB SER 6 -7.050 -19.480 1.399 48 HG SER 6 HG SER 6 -4.981 -18.877 2.592 49 H ASP 7 HN ASP 7 -9.947 -18.713 3.582 50 HA ASP 7 HA ASP 7 -9.913 -16.867 5.781 51 HB2 ASP 7 2HB ASP 7 -11.436 -19.162 6.455 52 HB3 ASP 7 1HB ASP 7 -12.025 -17.588 5.923 53 H GLU 8 HN GLU 8 -9.635 -20.429 5.779 54 HA GLU 8 HA GLU 8 -8.781 -20.923 8.291 55 HB2 GLU 8 2HB GLU 8 -7.922 -22.128 5.676 56 HB3 GLU 8 1HB GLU 8 -7.230 -22.700 7.195 57 HG2 GLU 8 2HG GLU 8 -9.294 -23.956 6.400 58 HG3 GLU 8 1HG GLU 8 -9.379 -23.325 8.044 59 H GLU 9 HN GLU 9 -6.554 -20.093 5.622 60 HA GLU 9 HA GLU 9 -4.942 -18.397 7.225 61 HB2 GLU 9 2HB GLU 9 -2.891 -19.890 7.194 62 HB3 GLU 9 1HB GLU 9 -4.154 -20.364 8.331 63 HG2 GLU 9 2HG GLU 9 -4.823 -22.186 7.042 64 HG3 GLU 9 1HG GLU 9 -4.183 -21.496 5.553 65 H ILE 10 HN ILE 10 -2.904 -17.779 6.063 66 HA ILE 10 HA ILE 10 -3.253 -18.060 3.138 67 HB ILE 10 HB ILE 10 -1.848 -15.738 4.438 68 HG12 ILE 10 2HG1 ILE 10 -4.811 -15.863 3.775 69 HG13 ILE 10 1HG1 ILE 10 -4.161 -15.905 5.413 70 HG21 ILE 10 1HG2 ILE 10 -2.466 -14.650 2.327 71 HG22 ILE 10 2HG2 ILE 10 -3.368 -16.084 1.837 72 HG23 ILE 10 3HG2 ILE 10 -1.615 -16.160 2.004 73 HD11 ILE 10 1HD1 ILE 10 -4.836 -13.612 4.794 74 HD12 ILE 10 2HD1 ILE 10 -3.732 -13.657 3.418 75 HD13 ILE 10 3HD1 ILE 10 -3.097 -13.714 5.061 76 H GLN 11 HN GLN 11 -1.546 -18.792 1.986 77 HA GLN 11 HA GLN 11 0.541 -20.203 3.020 78 HB2 GLN 11 2HB GLN 11 0.283 -18.638 0.469 79 HB3 GLN 11 1HB GLN 11 1.798 -19.456 0.856 80 HG2 GLN 11 2HG GLN 11 -0.881 -20.858 0.933 81 HG3 GLN 11 1HG GLN 11 0.130 -20.817 -0.510 82 HE21 GLN 11 1HE2 GLN 11 -0.206 -22.219 2.698 83 HE22 GLN 11 2HE2 GLN 11 1.120 -23.271 2.578 84 H ASP 12 HN ASP 12 2.229 -19.740 4.273 85 HA ASP 12 HA ASP 12 3.819 -18.540 5.425 86 HB2 ASP 12 2HB ASP 12 4.826 -18.386 3.188 87 HB3 ASP 12 1HB ASP 12 3.868 -16.947 2.849 88 H VAL 13 HN VAL 13 3.494 -15.539 3.928 89 HA VAL 13 HA VAL 13 2.604 -13.546 4.503 90 HB VAL 13 HB VAL 13 0.511 -15.370 4.846 91 HG11 VAL 13 1HG1 VAL 13 -0.776 -14.466 6.713 92 HG12 VAL 13 2HG1 VAL 13 0.552 -13.396 7.153 93 HG13 VAL 13 3HG1 VAL 13 0.731 -15.146 7.305 94 HG21 VAL 13 1HG2 VAL 13 -0.867 -13.353 4.501 95 HG22 VAL 13 2HG2 VAL 13 0.538 -13.359 3.438 96 HG23 VAL 13 3HG2 VAL 13 0.526 -12.341 4.877 97 H SER 14 HN SER 14 2.664 -15.761 7.311 98 HA SER 14 HA SER 14 3.156 -13.677 9.182 99 HB2 SER 14 2HB SER 14 3.317 -15.375 10.785 100 HB3 SER 14 1HB SER 14 2.228 -16.054 9.578 101 HG SER 14 HG SER 14 4.369 -17.161 10.438 102 H GLY 15 HN GLY 15 4.943 -12.424 8.822 103 HA2 GLY 15 2HA GLY 15 7.391 -12.949 9.758 104 HA3 GLY 15 1HA GLY 15 7.499 -13.659 8.153 105 H THR 16 HN THR 16 9.225 -12.069 7.912 106 HA THR 16 HA THR 16 8.406 -9.287 7.590 107 HB THR 16 HB THR 16 11.171 -10.231 6.981 108 HG1 THR 16 1HG THR 16 11.528 -10.753 8.981 109 HG21 THR 16 1HG2 THR 16 10.355 -7.843 6.744 110 HG22 THR 16 2HG2 THR 16 11.744 -8.051 7.811 111 HG23 THR 16 3HG2 THR 16 10.134 -7.824 8.495 112 H TRP 17 HN TRP 17 8.537 -8.120 5.711 113 HA TRP 17 HA TRP 17 9.104 -9.560 3.213 114 HB2 TRP 17 2HB TRP 17 6.565 -8.002 3.781 115 HB3 TRP 17 1HB TRP 17 7.034 -8.655 2.219 116 HD1 TRP 17 1HD TRP 17 6.441 -9.980 5.814 117 HE1 TRP 17 1HE TRP 17 5.416 -12.337 5.647 118 HE3 TRP 17 3HE TRP 17 6.350 -10.577 0.747 119 HZ2 TRP 17 2HZ TRP 17 4.647 -14.212 3.628 120 HZ3 TRP 17 3HZ TRP 17 5.450 -12.615 -0.285 121 HH2 TRP 17 2HH TRP 17 4.593 -14.454 1.158 122 H TYR 18 HN TYR 18 8.787 -7.785 1.324 123 HA TYR 18 HA TYR 18 9.812 -5.180 2.244 124 HB2 TYR 18 2HB TYR 18 11.037 -6.772 -0.029 125 HB3 TYR 18 1HB TYR 18 11.544 -5.178 0.525 126 HD1 TYR 18 1HD TYR 18 11.019 -8.664 1.795 127 HD2 TYR 18 2HD TYR 18 13.247 -5.012 2.126 128 HE1 TYR 18 1HE TYR 18 12.513 -9.731 3.459 129 HE2 TYR 18 2HE TYR 18 14.747 -6.079 3.789 130 HH TYR 18 HH TYR 18 15.371 -8.055 4.698 131 H LEU 19 HN LEU 19 9.636 -3.509 0.457 132 HA LEU 19 HA LEU 19 7.273 -4.067 -1.214 133 HB2 LEU 19 2HB LEU 19 7.996 -1.900 0.503 134 HB3 LEU 19 1HB LEU 19 7.981 -1.299 -1.152 135 HG LEU 19 HG LEU 19 5.780 -1.052 -0.137 136 HD11 LEU 19 1HD1 LEU 19 4.894 -3.149 -1.853 137 HD12 LEU 19 2HD1 LEU 19 6.331 -2.414 -2.568 138 HD13 LEU 19 3HD1 LEU 19 4.936 -1.417 -2.170 139 HD21 LEU 19 1HD2 LEU 19 6.361 -3.437 1.129 140 HD22 LEU 19 2HD2 LEU 19 5.137 -3.895 -0.047 141 HD23 LEU 19 3HD2 LEU 19 4.791 -2.634 1.130 142 H LYS 20 HN LYS 20 7.654 -4.286 -3.348 143 HA LYS 20 HA LYS 20 10.202 -3.263 -4.428 144 HB2 LYS 20 2HB LYS 20 8.322 -5.223 -5.732 145 HB3 LYS 20 1HB LYS 20 10.003 -4.900 -6.148 146 HG2 LYS 20 2HG LYS 20 10.744 -5.777 -3.992 147 HG3 LYS 20 1HG LYS 20 9.078 -6.046 -3.485 148 HD2 LYS 20 2HD LYS 20 9.304 -8.126 -4.342 149 HD3 LYS 20 1HD LYS 20 9.198 -7.361 -5.926 150 HE2 LYS 20 2HE LYS 20 11.619 -7.166 -6.046 151 HE3 LYS 20 1HE LYS 20 11.782 -7.788 -4.402 152 HZ1 LYS 20 1HZ LYS 20 12.157 -9.454 -6.188 153 HZ2 LYS 20 2HZ LYS 20 10.520 -9.299 -6.619 154 HZ3 LYS 20 3HZ LYS 20 10.946 -9.883 -5.081 155 H ALA 21 HN ALA 21 6.881 -2.568 -4.413 156 HA ALA 21 HA ALA 21 7.213 -0.411 -6.296 157 HB1 ALA 21 1HB ALA 21 6.195 -1.218 -8.149 158 HB2 ALA 21 2HB ALA 21 5.018 -2.144 -7.219 159 HB3 ALA 21 3HB ALA 21 6.633 -2.798 -7.499 160 H MET 22 HN MET 22 5.763 1.178 -5.891 161 HA MET 22 HA MET 22 3.330 0.527 -4.394 162 HB2 MET 22 2HB MET 22 5.006 1.086 -2.707 163 HB3 MET 22 1HB MET 22 5.405 2.568 -3.567 164 HG2 MET 22 2HG MET 22 2.582 2.595 -3.115 165 HG3 MET 22 1HG MET 22 3.361 2.146 -1.601 166 HE1 MET 22 1HE MET 22 3.045 4.107 -0.134 167 HE2 MET 22 2HE MET 22 1.846 4.564 -1.342 168 HE3 MET 22 3HE MET 22 2.965 5.775 -0.720 169 H THR 23 HN THR 23 1.598 1.745 -4.936 170 HA THR 23 HA THR 23 2.063 3.863 -6.924 171 HB THR 23 HB THR 23 0.500 1.676 -7.211 172 HG1 THR 23 1HG THR 23 0.110 2.647 -9.023 173 HG21 THR 23 1HG2 THR 23 -1.792 2.196 -6.878 174 HG22 THR 23 2HG2 THR 23 -1.433 3.875 -6.475 175 HG23 THR 23 3HG2 THR 23 -0.986 2.588 -5.363 176 H VAL 24 HN VAL 24 1.501 5.877 -6.554 177 HA VAL 24 HA VAL 24 -0.052 6.435 -4.086 178 HB VAL 24 HB VAL 24 1.796 8.566 -4.703 179 HG11 VAL 24 1HG1 VAL 24 2.396 8.190 -2.342 180 HG12 VAL 24 2HG1 VAL 24 1.537 6.648 -2.364 181 HG13 VAL 24 3HG1 VAL 24 0.644 8.159 -2.544 182 HG21 VAL 24 1HG2 VAL 24 3.227 6.836 -5.660 183 HG22 VAL 24 2HG2 VAL 24 2.936 5.785 -4.276 184 HG23 VAL 24 3HG2 VAL 24 3.858 7.273 -4.073 185 H ASP 25 HN ASP 25 -1.961 6.911 -4.985 186 HA ASP 25 HA ASP 25 -2.924 7.896 -7.180 187 HB2 ASP 25 2HB ASP 25 -3.558 9.420 -4.655 188 HB3 ASP 25 1HB ASP 25 -4.622 9.091 -6.019 189 H ARG 26 HN ARG 26 -2.153 9.222 -8.652 190 HA ARG 26 HA ARG 26 -0.405 11.393 -8.059 191 HB2 ARG 26 2HB ARG 26 -0.276 11.742 -10.392 192 HB3 ARG 26 1HB ARG 26 -0.437 10.005 -10.193 193 HG2 ARG 26 2HG ARG 26 -2.576 11.964 -11.015 194 HG3 ARG 26 1HG ARG 26 -1.916 10.655 -11.970 195 HD2 ARG 26 2HD ARG 26 -2.854 9.061 -10.245 196 HD3 ARG 26 1HD ARG 26 -3.682 10.432 -9.520 197 HE ARG 26 HE ARG 26 -4.487 10.598 -12.082 198 HH11 ARG 26 1HH1 ARG 26 -6.228 9.449 -12.982 199 HH12 ARG 26 2HH1 ARG 26 -6.693 7.924 -12.308 200 HH21 ARG 26 1HH2 ARG 26 -4.242 7.958 -9.855 201 HH22 ARG 26 2HH2 ARG 26 -5.569 7.080 -10.537 202 H GLU 27 HN GLU 27 -3.169 11.393 -6.912 203 HA GLU 27 HA GLU 27 -4.308 13.833 -8.077 204 HB2 GLU 27 2HB GLU 27 -5.733 11.813 -7.398 205 HB3 GLU 27 1HB GLU 27 -5.386 12.265 -5.729 206 HG2 GLU 27 2HG GLU 27 -6.146 14.665 -6.601 207 HG3 GLU 27 1HG GLU 27 -7.026 13.693 -7.779 208 H PHE 28 HN PHE 28 -2.696 12.569 -5.247 209 HA PHE 28 HA PHE 28 -2.588 15.289 -4.078 210 HB2 PHE 28 2HB PHE 28 -2.795 12.560 -2.876 211 HB3 PHE 28 1HB PHE 28 -1.894 13.790 -1.993 212 HD1 PHE 28 1HD PHE 28 -5.060 12.364 -2.342 213 HD2 PHE 28 2HD PHE 28 -3.155 16.211 -2.026 214 HE1 PHE 28 1HE PHE 28 -7.181 13.355 -1.533 215 HE2 PHE 28 2HE PHE 28 -5.281 17.193 -1.222 216 HZ PHE 28 HZ PHE 28 -7.292 15.768 -0.973 217 HA PRO 29 HA PRO 29 1.722 14.297 -5.547 218 HB2 PRO 29 2HB PRO 29 1.950 17.243 -5.420 219 HB3 PRO 29 1HB PRO 29 2.340 16.138 -6.749 220 HG2 PRO 29 2HG PRO 29 0.199 17.764 -6.782 221 HG3 PRO 29 1HG PRO 29 0.226 16.184 -7.585 222 HD2 PRO 29 2HD PRO 29 -1.134 16.985 -5.052 223 HD3 PRO 29 1HD PRO 29 -1.599 15.770 -6.258 224 H GLU 30 HN GLU 30 0.361 15.280 -2.732 225 HA GLU 30 HA GLU 30 2.591 16.434 -1.358 226 HB2 GLU 30 2HB GLU 30 0.130 15.048 -0.264 227 HB3 GLU 30 1HB GLU 30 1.258 16.032 0.672 228 HG2 GLU 30 2HG GLU 30 0.753 17.874 -1.104 229 HG3 GLU 30 1HG GLU 30 -0.671 16.901 -1.470 230 H MET 31 HN MET 31 0.979 13.355 -0.611 231 HA MET 31 HA MET 31 3.063 12.195 0.799 232 HB2 MET 31 2HB MET 31 1.061 10.763 -0.964 233 HB3 MET 31 1HB MET 31 1.971 10.053 0.368 234 HG2 MET 31 2HG MET 31 0.889 12.079 1.717 235 HG3 MET 31 1HG MET 31 -0.330 11.959 0.448 236 HE1 MET 31 1HE MET 31 -0.196 11.379 3.762 237 HE2 MET 31 2HE MET 31 1.300 10.476 3.546 238 HE3 MET 31 3HE MET 31 -0.127 9.661 4.180 239 H ASN 32 HN ASN 32 5.054 12.648 -0.244 240 HA ASN 32 HA ASN 32 5.509 11.262 -2.810 241 HB2 ASN 32 2HB ASN 32 6.884 13.531 -1.396 242 HB3 ASN 32 1HB ASN 32 7.740 12.593 -2.618 243 HD21 ASN 32 1HD2 ASN 32 7.766 14.450 -4.098 244 HD22 ASN 32 2HD2 ASN 32 6.353 14.938 -4.901 245 H LEU 33 HN LEU 33 5.553 9.154 -1.722 246 HA LEU 33 HA LEU 33 7.249 8.502 0.372 247 HB2 LEU 33 2HB LEU 33 5.503 6.985 -0.424 248 HB3 LEU 33 1HB LEU 33 6.354 6.784 -1.954 249 HG LEU 33 HG LEU 33 8.261 5.785 -0.780 250 HD11 LEU 33 1HD1 LEU 33 6.673 6.618 1.611 251 HD12 LEU 33 2HD1 LEU 33 8.417 6.672 1.350 252 HD13 LEU 33 3HD1 LEU 33 7.627 5.141 1.720 253 HD21 LEU 33 1HD2 LEU 33 6.591 4.213 -1.494 254 HD22 LEU 33 2HD2 LEU 33 5.559 4.603 -0.118 255 HD23 LEU 33 3HD2 LEU 33 7.078 3.744 0.135 256 H GLU 34 HN GLU 34 9.338 8.749 0.514 257 HA GLU 34 HA GLU 34 10.989 8.806 -1.903 258 HB2 GLU 34 2HB GLU 34 11.271 9.756 0.901 259 HB3 GLU 34 1HB GLU 34 12.746 9.326 0.035 260 HG2 GLU 34 2HG GLU 34 12.166 10.851 -1.783 261 HG3 GLU 34 1HG GLU 34 10.630 11.231 -1.006 262 H SER 35 HN SER 35 10.406 6.833 0.941 263 HA SER 35 HA SER 35 11.821 4.620 -0.238 264 HB2 SER 35 2HB SER 35 13.494 4.365 1.559 265 HB3 SER 35 1HB SER 35 13.742 5.854 0.651 266 HG SER 35 HG SER 35 13.518 5.679 3.199 267 H VAL 36 HN VAL 36 11.745 2.681 1.200 268 HA VAL 36 HA VAL 36 9.670 2.879 3.265 269 HB VAL 36 HB VAL 36 8.793 2.161 0.955 270 HG11 VAL 36 1HG1 VAL 36 10.894 0.533 0.858 271 HG12 VAL 36 2HG1 VAL 36 9.360 0.069 0.129 272 HG13 VAL 36 3HG1 VAL 36 9.804 -0.557 1.716 273 HG21 VAL 36 1HG2 VAL 36 7.489 1.860 2.992 274 HG22 VAL 36 2HG2 VAL 36 8.432 0.435 3.428 275 HG23 VAL 36 3HG2 VAL 36 7.365 0.391 2.024 276 H THR 37 HN THR 37 9.682 1.200 4.809 277 HA THR 37 HA THR 37 12.303 -0.135 5.015 278 HB THR 37 HB THR 37 11.876 -0.222 7.410 279 HG1 THR 37 1HG THR 37 9.423 1.044 6.801 280 HG21 THR 37 1HG2 THR 37 11.067 2.519 6.445 281 HG22 THR 37 2HG2 THR 37 12.714 1.906 6.289 282 HG23 THR 37 3HG2 THR 37 11.996 2.108 7.887 283 HA PRO 38 HA PRO 38 10.733 -4.266 4.439 284 HB2 PRO 38 2HB PRO 38 11.697 -4.713 7.245 285 HB3 PRO 38 1HB PRO 38 11.939 -5.718 5.803 286 HG2 PRO 38 2HG PRO 38 13.848 -4.095 6.760 287 HG3 PRO 38 1HG PRO 38 13.660 -4.431 5.033 288 HD2 PRO 38 2HD PRO 38 13.139 -1.932 6.492 289 HD3 PRO 38 1HD PRO 38 13.348 -2.194 4.748 290 H MET 39 HN MET 39 8.678 -5.077 4.733 291 HA MET 39 HA MET 39 7.078 -3.911 6.879 292 HB2 MET 39 2HB MET 39 6.098 -3.689 4.711 293 HB3 MET 39 1HB MET 39 6.374 -5.392 4.347 294 HG2 MET 39 2HG MET 39 4.703 -6.110 5.828 295 HG3 MET 39 1HG MET 39 4.708 -4.593 6.719 296 HE1 MET 39 1HE MET 39 4.917 -4.291 2.797 297 HE2 MET 39 2HE MET 39 3.325 -4.886 2.343 298 HE3 MET 39 3HE MET 39 4.457 -5.958 3.157 299 H THR 40 HN THR 40 6.124 -5.072 8.470 300 HA THR 40 HA THR 40 6.841 -7.931 8.593 301 HB THR 40 HB THR 40 6.124 -6.234 10.970 302 HG1 THR 40 1HG THR 40 7.903 -5.325 9.797 303 HG21 THR 40 1HG2 THR 40 6.452 -8.920 10.718 304 HG22 THR 40 2HG2 THR 40 6.807 -8.030 12.198 305 HG23 THR 40 3HG2 THR 40 8.109 -8.428 11.076 306 H LEU 41 HN LEU 41 5.166 -9.180 8.062 307 HA LEU 41 HA LEU 41 2.446 -8.323 8.825 308 HB2 LEU 41 2HB LEU 41 3.485 -10.307 6.795 309 HB3 LEU 41 1HB LEU 41 1.782 -10.148 7.205 310 HG LEU 41 HG LEU 41 2.650 -7.516 6.723 311 HD11 LEU 41 1HD1 LEU 41 3.696 -9.442 4.632 312 HD12 LEU 41 2HD1 LEU 41 4.683 -8.429 5.685 313 HD13 LEU 41 3HD1 LEU 41 3.638 -7.688 4.475 314 HD21 LEU 41 1HD2 LEU 41 0.458 -8.368 6.151 315 HD22 LEU 41 2HD2 LEU 41 1.168 -9.536 5.036 316 HD23 LEU 41 3HD2 LEU 41 1.230 -7.815 4.663 317 H THR 42 HN THR 42 1.793 -9.136 10.702 318 HA THR 42 HA THR 42 2.686 -11.828 11.492 319 HB THR 42 HB THR 42 2.769 -11.072 13.607 320 HG1 THR 42 1HG THR 42 0.650 -11.239 14.027 321 HG21 THR 42 1HG2 THR 42 2.042 -8.403 12.381 322 HG22 THR 42 2HG2 THR 42 3.661 -9.094 12.407 323 HG23 THR 42 3HG2 THR 42 2.868 -8.648 13.918 324 H THR 43 HN THR 43 1.264 -13.454 11.716 325 HA THR 43 HA THR 43 -1.474 -12.934 10.809 326 HB THR 43 HB THR 43 -0.243 -15.639 11.314 327 HG1 THR 43 1HG THR 43 0.164 -15.499 8.982 328 HG21 THR 43 1HG2 THR 43 -1.988 -16.430 9.939 329 HG22 THR 43 2HG2 THR 43 -2.308 -14.827 9.275 330 HG23 THR 43 3HG2 THR 43 -2.763 -15.200 10.941 331 H LEU 44 HN LEU 44 -3.032 -12.682 12.265 332 HA LEU 44 HA LEU 44 -2.569 -13.513 15.012 333 HB2 LEU 44 2HB LEU 44 -5.015 -12.104 13.968 334 HB3 LEU 44 1HB LEU 44 -4.367 -12.101 15.607 335 HG LEU 44 HG LEU 44 -3.165 -10.795 13.156 336 HD11 LEU 44 1HD1 LEU 44 -4.006 -8.879 14.001 337 HD12 LEU 44 2HD1 LEU 44 -3.383 -9.243 15.610 338 HD13 LEU 44 3HD1 LEU 44 -4.950 -9.878 15.107 339 HD21 LEU 44 1HD2 LEU 44 -1.407 -10.073 14.907 340 HD22 LEU 44 2HD2 LEU 44 -1.286 -11.706 14.277 341 HD23 LEU 44 3HD2 LEU 44 -1.993 -11.422 15.868 342 H GLU 45 HN GLU 45 -3.184 -15.370 15.730 343 HA GLU 45 HA GLU 45 -4.107 -17.527 15.660 344 HB2 GLU 45 2HB GLU 45 -6.524 -17.387 16.299 345 HB3 GLU 45 1HB GLU 45 -5.468 -16.359 17.266 346 HG2 GLU 45 2HG GLU 45 -6.113 -14.397 16.038 347 HG3 GLU 45 1HG GLU 45 -6.959 -15.361 14.830 348 H GLY 46 HN GLY 46 -3.787 -16.366 12.961 349 HA2 GLY 46 2HA GLY 46 -4.317 -16.967 10.806 350 HA3 GLY 46 1HA GLY 46 -5.234 -18.305 11.488 351 H GLY 47 HN GLY 47 -6.428 -15.645 12.960 352 HA2 GLY 47 2HA GLY 47 -8.759 -15.579 11.202 353 HA3 GLY 47 1HA GLY 47 -8.643 -14.872 12.811 354 H ASN 48 HN ASN 48 -6.784 -13.110 12.862 355 HA ASN 48 HA ASN 48 -7.314 -11.282 10.592 356 HB2 ASN 48 2HB ASN 48 -6.442 -10.384 13.327 357 HB3 ASN 48 1HB ASN 48 -7.242 -9.454 12.063 358 HD21 ASN 48 1HD2 ASN 48 -9.192 -11.670 11.490 359 HD22 ASN 48 2HD2 ASN 48 -10.286 -11.649 12.788 360 H LEU 49 HN LEU 49 -5.597 -9.726 10.098 361 HA LEU 49 HA LEU 49 -2.896 -10.866 10.558 362 HB2 LEU 49 2HB LEU 49 -4.329 -10.532 8.143 363 HB3 LEU 49 1HB LEU 49 -3.071 -9.297 8.151 364 HG LEU 49 HG LEU 49 -2.529 -12.219 8.744 365 HD11 LEU 49 1HD1 LEU 49 -2.160 -10.696 6.148 366 HD12 LEU 49 2HD1 LEU 49 -3.436 -11.874 6.446 367 HD13 LEU 49 3HD1 LEU 49 -1.750 -12.384 6.440 368 HD21 LEU 49 1HD2 LEU 49 -1.015 -9.938 9.185 369 HD22 LEU 49 2HD2 LEU 49 -0.452 -10.487 7.611 370 HD23 LEU 49 3HD2 LEU 49 -0.364 -11.567 9.000 371 H GLU 50 HN GLU 50 -1.270 -9.452 11.093 372 HA GLU 50 HA GLU 50 -2.023 -6.610 11.386 373 HB2 GLU 50 2HB GLU 50 -1.688 -7.521 13.566 374 HB3 GLU 50 1HB GLU 50 -0.233 -8.375 13.055 375 HG2 GLU 50 2HG GLU 50 1.018 -6.373 12.877 376 HG3 GLU 50 1HG GLU 50 -0.430 -5.369 12.887 377 H ALA 51 HN ALA 51 -0.960 -5.256 10.088 378 HA ALA 51 HA ALA 51 1.676 -6.125 9.084 379 HB1 ALA 51 1HB ALA 51 0.695 -4.304 7.244 380 HB2 ALA 51 2HB ALA 51 -0.720 -5.263 7.695 381 HB3 ALA 51 3HB ALA 51 0.725 -6.061 7.065 382 H LYS 52 HN LYS 52 3.334 -4.907 9.593 383 HA LYS 52 HA LYS 52 2.852 -2.060 10.217 384 HB2 LYS 52 2HB LYS 52 5.026 -3.419 11.685 385 HB3 LYS 52 1HB LYS 52 3.901 -2.176 12.231 386 HG2 LYS 52 2HG LYS 52 2.085 -3.945 12.187 387 HG3 LYS 52 1HG LYS 52 3.356 -5.139 11.925 388 HD2 LYS 52 2HD LYS 52 3.153 -3.247 14.289 389 HD3 LYS 52 1HD LYS 52 2.825 -4.978 14.320 390 HE2 LYS 52 2HE LYS 52 5.465 -3.570 13.974 391 HE3 LYS 52 1HE LYS 52 5.033 -4.842 15.114 392 HZ1 LYS 52 1HZ LYS 52 6.392 -5.701 13.317 393 HZ2 LYS 52 2HZ LYS 52 5.259 -5.165 12.172 394 HZ3 LYS 52 3HZ LYS 52 4.844 -6.390 13.274 395 H VAL 53 HN VAL 53 4.057 -0.691 9.067 396 HA VAL 53 HA VAL 53 6.775 -1.411 8.325 397 HB VAL 53 HB VAL 53 5.435 -2.306 6.470 398 HG11 VAL 53 1HG1 VAL 53 4.430 0.533 6.133 399 HG12 VAL 53 2HG1 VAL 53 3.484 -0.769 6.855 400 HG13 VAL 53 3HG1 VAL 53 3.979 -0.870 5.165 401 HG21 VAL 53 1HG2 VAL 53 7.600 -0.636 6.276 402 HG22 VAL 53 2HG2 VAL 53 6.446 0.178 5.222 403 HG23 VAL 53 3HG2 VAL 53 6.897 -1.497 4.909 404 H THR 54 HN THR 54 8.008 0.403 7.739 405 HA THR 54 HA THR 54 6.777 2.983 8.462 406 HB THR 54 HB THR 54 9.730 2.413 8.418 407 HG1 THR 54 1HG THR 54 7.850 1.443 10.100 408 HG21 THR 54 1HG2 THR 54 9.937 4.463 9.382 409 HG22 THR 54 2HG2 THR 54 8.486 4.259 10.358 410 HG23 THR 54 3HG2 THR 54 8.349 4.743 8.669 411 H MET 55 HN MET 55 6.593 4.476 6.919 412 HA MET 55 HA MET 55 8.118 4.058 4.420 413 HB2 MET 55 2HB MET 55 5.971 5.850 3.986 414 HB3 MET 55 1HB MET 55 6.191 4.242 3.311 415 HG2 MET 55 2HG MET 55 5.218 3.366 5.540 416 HG3 MET 55 1HG MET 55 4.693 5.033 5.808 417 HE1 MET 55 1HE MET 55 4.301 5.604 2.375 418 HE2 MET 55 2HE MET 55 3.710 6.393 3.837 419 HE3 MET 55 3HE MET 55 2.563 5.759 2.660 420 H LEU 56 HN LEU 56 8.994 5.827 3.375 421 HA LEU 56 HA LEU 56 9.541 8.094 5.183 422 HB2 LEU 56 2HB LEU 56 11.507 6.889 4.227 423 HB3 LEU 56 1HB LEU 56 10.948 7.320 2.614 424 HG LEU 56 HG LEU 56 11.090 9.732 3.230 425 HD11 LEU 56 1HD1 LEU 56 10.977 10.068 5.487 426 HD12 LEU 56 2HD1 LEU 56 12.728 9.900 5.390 427 HD13 LEU 56 3HD1 LEU 56 11.737 8.523 5.863 428 HD21 LEU 56 1HD2 LEU 56 13.477 9.881 3.040 429 HD22 LEU 56 2HD2 LEU 56 13.001 8.416 2.182 430 HD23 LEU 56 3HD2 LEU 56 13.700 8.305 3.799 431 H ILE 57 HN ILE 57 7.582 9.170 4.855 432 HA ILE 57 HA ILE 57 6.839 9.906 2.154 433 HB ILE 57 HB ILE 57 5.542 10.410 4.832 434 HG12 ILE 57 2HG1 ILE 57 5.597 8.097 3.506 435 HG13 ILE 57 1HG1 ILE 57 4.130 8.647 4.309 436 HG21 ILE 57 1HG2 ILE 57 4.862 11.336 2.046 437 HG22 ILE 57 2HG2 ILE 57 4.936 12.282 3.533 438 HG23 ILE 57 3HG2 ILE 57 3.611 11.146 3.280 439 HD11 ILE 57 1HD1 ILE 57 4.697 9.356 1.425 440 HD12 ILE 57 2HD1 ILE 57 3.154 9.377 2.277 441 HD13 ILE 57 3HD1 ILE 57 3.909 7.842 1.861 442 H SER 58 HN SER 58 7.671 11.592 1.233 443 HA SER 58 HA SER 58 8.820 13.579 0.950 444 HB2 SER 58 2HB SER 58 6.966 14.730 3.002 445 HB3 SER 58 1HB SER 58 7.491 15.412 1.465 446 HG SER 58 HG SER 58 5.300 14.548 1.521 447 H GLY 59 HN GLY 59 10.356 12.090 2.632 448 HA2 GLY 59 2HA GLY 59 12.183 12.458 4.002 449 HA3 GLY 59 1HA GLY 59 11.647 14.121 4.212 450 H ARG 60 HN ARG 60 8.955 12.585 4.912 451 HA ARG 60 HA ARG 60 9.534 12.531 7.789 452 HB2 ARG 60 2HB ARG 60 6.801 12.343 6.536 453 HB3 ARG 60 1HB ARG 60 7.234 12.903 8.152 454 HG2 ARG 60 2HG ARG 60 8.404 14.848 7.145 455 HG3 ARG 60 1HG ARG 60 7.902 14.302 5.544 456 HD2 ARG 60 2HD ARG 60 6.360 16.021 6.351 457 HD3 ARG 60 1HD ARG 60 5.531 14.471 6.248 458 HE ARG 60 HE ARG 60 6.472 14.604 8.837 459 HH11 ARG 60 1HH1 ARG 60 5.200 15.429 10.531 460 HH12 ARG 60 2HH1 ARG 60 3.919 16.540 10.182 461 HH21 ARG 60 1HH2 ARG 60 4.487 16.535 6.761 462 HH22 ARG 60 2HH2 ARG 60 3.514 17.168 8.048 463 H CYS 61 HN CYS 61 9.598 10.678 8.907 464 HA CYS 61 HA CYS 61 9.153 8.169 7.513 465 HB2 CYS 61 2HB CYS 61 10.258 8.938 10.201 466 HB3 CYS 61 1HB CYS 61 9.818 7.266 9.861 467 H GLN 62 HN GLN 62 7.085 7.567 7.287 468 HA GLN 62 HA GLN 62 5.190 8.070 9.468 469 HB2 GLN 62 2HB GLN 62 4.950 7.498 6.545 470 HB3 GLN 62 1HB GLN 62 3.616 7.038 7.604 471 HG2 GLN 62 2HG GLN 62 4.812 9.779 7.851 472 HG3 GLN 62 1HG GLN 62 3.671 9.447 6.550 473 HE21 GLN 62 1HE2 GLN 62 3.244 7.603 9.476 474 HE22 GLN 62 2HE2 GLN 62 1.901 8.464 10.058 475 H GLU 63 HN GLU 63 5.126 6.531 10.969 476 HA GLU 63 HA GLU 63 5.746 3.758 10.375 477 HB2 GLU 63 2HB GLU 63 4.846 5.212 12.871 478 HB3 GLU 63 1HB GLU 63 5.073 3.464 12.812 479 HG2 GLU 63 2HG GLU 63 7.399 3.679 12.342 480 HG3 GLU 63 1HG GLU 63 7.239 5.397 11.975 481 H VAL 64 HN VAL 64 4.273 2.455 9.459 482 HA VAL 64 HA VAL 64 1.417 3.052 9.923 483 HB VAL 64 HB VAL 64 2.410 1.105 7.874 484 HG11 VAL 64 1HG1 VAL 64 0.194 3.132 7.645 485 HG12 VAL 64 2HG1 VAL 64 -0.056 1.626 8.528 486 HG13 VAL 64 3HG1 VAL 64 0.365 1.587 6.816 487 HG21 VAL 64 1HG2 VAL 64 3.811 3.037 7.468 488 HG22 VAL 64 2HG2 VAL 64 2.442 4.131 7.676 489 HG23 VAL 64 3HG2 VAL 64 2.510 3.059 6.277 490 H LYS 65 HN LYS 65 0.062 1.502 10.770 491 HA LYS 65 HA LYS 65 0.933 -1.215 11.169 492 HB2 LYS 65 2HB LYS 65 2.049 -0.684 13.089 493 HB3 LYS 65 1HB LYS 65 1.136 0.795 13.338 494 HG2 LYS 65 2HG LYS 65 0.695 -0.853 15.114 495 HG3 LYS 65 1HG LYS 65 -0.767 -0.515 14.222 496 HD2 LYS 65 2HD LYS 65 0.130 -2.647 12.808 497 HD3 LYS 65 1HD LYS 65 0.827 -3.007 14.383 498 HE2 LYS 65 2HE LYS 65 -2.070 -2.671 13.645 499 HE3 LYS 65 1HE LYS 65 -1.303 -3.989 14.526 500 HZ1 LYS 65 1HZ LYS 65 -0.736 -2.081 16.188 501 HZ2 LYS 65 2HZ LYS 65 -2.255 -2.842 16.229 502 HZ3 LYS 65 3HZ LYS 65 -2.079 -1.330 15.474 503 H ALA 66 HN ALA 66 -0.842 -1.975 10.236 504 HA ALA 66 HA ALA 66 -3.432 -1.245 11.449 505 HB1 ALA 66 1HB ALA 66 -4.413 -1.738 9.205 506 HB2 ALA 66 2HB ALA 66 -2.772 -1.897 8.579 507 HB3 ALA 66 3HB ALA 66 -3.326 -0.350 9.219 508 H VAL 67 HN VAL 67 -5.127 -2.849 11.010 509 HA VAL 67 HA VAL 67 -4.082 -5.588 11.228 510 HB VAL 67 HB VAL 67 -6.385 -4.390 12.777 511 HG11 VAL 67 1HG1 VAL 67 -5.990 -6.816 13.865 512 HG12 VAL 67 2HG1 VAL 67 -5.481 -7.173 12.212 513 HG13 VAL 67 3HG1 VAL 67 -7.108 -6.560 12.522 514 HG21 VAL 67 1HG2 VAL 67 -3.711 -5.514 13.678 515 HG22 VAL 67 2HG2 VAL 67 -4.972 -4.874 14.732 516 HG23 VAL 67 3HG2 VAL 67 -4.121 -3.799 13.623 517 H LEU 68 HN LEU 68 -4.722 -6.751 9.594 518 HA LEU 68 HA LEU 68 -6.965 -5.975 7.935 519 HB2 LEU 68 2HB LEU 68 -5.210 -8.429 7.790 520 HB3 LEU 68 1HB LEU 68 -6.238 -7.807 6.512 521 HG LEU 68 HG LEU 68 -3.855 -6.377 7.714 522 HD11 LEU 68 1HD1 LEU 68 -2.657 -6.999 5.817 523 HD12 LEU 68 2HD1 LEU 68 -4.113 -7.209 4.843 524 HD13 LEU 68 3HD1 LEU 68 -3.667 -8.429 6.033 525 HD21 LEU 68 1HD2 LEU 68 -4.376 -4.949 5.555 526 HD22 LEU 68 2HD2 LEU 68 -5.256 -4.634 7.049 527 HD23 LEU 68 3HD2 LEU 68 -6.004 -5.590 5.767 528 H GLU 69 HN GLU 69 -8.753 -6.257 9.415 529 HA GLU 69 HA GLU 69 -9.182 -8.861 10.589 530 HB2 GLU 69 2HB GLU 69 -11.293 -7.970 11.387 531 HB3 GLU 69 1HB GLU 69 -10.025 -6.779 11.662 532 HG2 GLU 69 2HG GLU 69 -11.384 -5.318 10.613 533 HG3 GLU 69 1HG GLU 69 -10.929 -6.142 9.128 534 H LYS 70 HN LYS 70 -10.215 -10.545 9.731 535 HA LYS 70 HA LYS 70 -10.817 -10.624 6.972 536 HB2 LYS 70 2HB LYS 70 -10.174 -12.584 8.413 537 HB3 LYS 70 1HB LYS 70 -11.806 -12.548 9.081 538 HG2 LYS 70 2HG LYS 70 -12.717 -12.780 6.769 539 HG3 LYS 70 1HG LYS 70 -11.067 -12.931 6.165 540 HD2 LYS 70 2HD LYS 70 -11.327 -15.153 6.510 541 HD3 LYS 70 1HD LYS 70 -11.120 -14.772 8.221 542 HE2 LYS 70 2HE LYS 70 -13.620 -14.374 8.331 543 HE3 LYS 70 1HE LYS 70 -13.725 -15.039 6.700 544 HZ1 LYS 70 1HZ LYS 70 -12.520 -17.028 7.614 545 HZ2 LYS 70 2HZ LYS 70 -14.113 -16.817 8.166 546 HZ3 LYS 70 3HZ LYS 70 -12.803 -16.400 9.163 547 H THR 71 HN THR 71 -12.694 -10.524 5.841 548 HA THR 71 HA THR 71 -15.085 -9.608 7.316 549 HB THR 71 HB THR 71 -15.765 -8.538 5.208 550 HG1 THR 71 1HG THR 71 -13.411 -9.800 4.329 551 HG21 THR 71 1HG2 THR 71 -13.460 -7.118 5.041 552 HG22 THR 71 2HG2 THR 71 -13.226 -7.915 6.596 553 HG23 THR 71 3HG2 THR 71 -14.643 -6.902 6.330 554 H ASP 72 HN ASP 72 -17.123 -10.063 5.827 555 HA ASP 72 HA ASP 72 -17.479 -12.876 5.820 556 HB2 ASP 72 2HB ASP 72 -19.629 -12.181 4.516 557 HB3 ASP 72 1HB ASP 72 -19.446 -11.693 6.200 558 H GLU 73 HN GLU 73 -15.740 -11.059 3.696 559 HA GLU 73 HA GLU 73 -16.303 -12.913 1.458 560 HB2 GLU 73 2HB GLU 73 -16.997 -10.471 1.137 561 HB3 GLU 73 1HB GLU 73 -15.272 -10.108 1.108 562 HG2 GLU 73 2HG GLU 73 -14.953 -11.674 -0.755 563 HG3 GLU 73 1HG GLU 73 -16.665 -12.091 -0.713 564 HA PRO 74 HA PRO 74 -11.999 -13.950 2.716 565 HB2 PRO 74 2HB PRO 74 -12.278 -15.509 0.176 566 HB3 PRO 74 1HB PRO 74 -11.612 -16.012 1.742 567 HG2 PRO 74 2HG PRO 74 -14.037 -16.775 0.962 568 HG3 PRO 74 1HG PRO 74 -13.681 -16.395 2.655 569 HD2 PRO 74 2HD PRO 74 -15.240 -14.824 0.664 570 HD3 PRO 74 1HD PRO 74 -15.397 -14.876 2.433 571 H GLY 75 HN GLY 75 -10.128 -12.973 2.141 572 HA2 GLY 75 2HA GLY 75 -8.497 -12.036 0.736 573 HA3 GLY 75 1HA GLY 75 -9.633 -12.134 -0.603 574 H LYS 76 HN LYS 76 -11.165 -10.815 2.040 575 HA LYS 76 HA LYS 76 -10.512 -8.042 1.249 576 HB2 LYS 76 2HB LYS 76 -12.671 -8.688 0.255 577 HB3 LYS 76 1HB LYS 76 -13.255 -9.177 1.840 578 HG2 LYS 76 2HG LYS 76 -13.022 -6.883 2.668 579 HG3 LYS 76 1HG LYS 76 -12.392 -6.372 1.102 580 HD2 LYS 76 2HD LYS 76 -14.475 -6.837 0.014 581 HD3 LYS 76 1HD LYS 76 -15.094 -7.692 1.430 582 HE2 LYS 76 2HE LYS 76 -14.243 -4.985 2.089 583 HE3 LYS 76 1HE LYS 76 -15.484 -4.992 0.838 584 HZ1 LYS 76 1HZ LYS 76 -16.485 -4.966 3.020 585 HZ2 LYS 76 2HZ LYS 76 -15.640 -6.370 3.465 586 HZ3 LYS 76 3HZ LYS 76 -16.826 -6.438 2.252 587 H TYR 77 HN TYR 77 -9.606 -7.085 2.979 588 HA TYR 77 HA TYR 77 -10.678 -7.797 5.635 589 HB2 TYR 77 2HB TYR 77 -7.900 -6.798 5.069 590 HB3 TYR 77 1HB TYR 77 -8.527 -7.424 6.592 591 HD1 TYR 77 1HD TYR 77 -7.871 -8.377 3.038 592 HD2 TYR 77 2HD TYR 77 -8.438 -9.726 7.074 593 HE1 TYR 77 1HE TYR 77 -7.221 -10.673 2.364 594 HE2 TYR 77 2HE TYR 77 -7.787 -12.020 6.400 595 HH TYR 77 HH TYR 77 -6.957 -12.774 3.013 596 H THR 78 HN THR 78 -10.343 -6.105 7.308 597 HA THR 78 HA THR 78 -10.485 -3.402 6.191 598 HB THR 78 HB THR 78 -12.390 -3.067 7.977 599 HG1 THR 78 1HG THR 78 -13.664 -5.153 7.673 600 HG21 THR 78 1HG2 THR 78 -14.029 -3.858 6.114 601 HG22 THR 78 2HG2 THR 78 -12.562 -4.207 5.197 602 HG23 THR 78 3HG2 THR 78 -12.891 -2.562 5.740 603 H ALA 79 HN ALA 79 -10.306 -1.685 7.772 604 HA ALA 79 HA ALA 79 -8.874 -2.506 10.224 605 HB1 ALA 79 1HB ALA 79 -7.624 -1.412 8.022 606 HB2 ALA 79 2HB ALA 79 -7.008 -1.367 9.674 607 HB3 ALA 79 3HB ALA 79 -7.928 -0.002 9.038 608 H ASP 80 HN ASP 80 -9.492 -1.466 12.021 609 HA ASP 80 HA ASP 80 -10.395 0.167 13.394 610 HB2 ASP 80 2HB ASP 80 -9.652 1.690 11.325 611 HB3 ASP 80 1HB ASP 80 -11.399 1.803 11.124 612 H GLY 81 HN GLY 81 -12.086 -0.935 10.530 613 HA2 GLY 81 2HA GLY 81 -14.137 -2.265 11.089 614 HA3 GLY 81 1HA GLY 81 -14.636 -0.867 12.036 615 H GLY 82 HN GLY 82 -12.974 -0.499 8.979 616 HA2 GLY 82 2HA GLY 82 -14.482 -0.489 6.904 617 HA3 GLY 82 1HA GLY 82 -15.451 0.647 7.838 618 H LYS 83 HN LYS 83 -12.913 1.766 9.039 619 HA LYS 83 HA LYS 83 -12.508 3.803 7.042 620 HB2 LYS 83 2HB LYS 83 -10.897 3.471 9.570 621 HB3 LYS 83 1HB LYS 83 -11.243 4.953 8.679 622 HG2 LYS 83 2HG LYS 83 -13.773 3.968 9.238 623 HG3 LYS 83 1HG LYS 83 -12.865 3.577 10.699 624 HD2 LYS 83 2HD LYS 83 -13.702 5.769 11.071 625 HD3 LYS 83 1HD LYS 83 -12.012 6.003 10.620 626 HE2 LYS 83 2HE LYS 83 -12.817 7.446 9.067 627 HE3 LYS 83 1HE LYS 83 -13.279 6.001 8.169 628 HZ1 LYS 83 1HZ LYS 83 -15.000 7.887 8.921 629 HZ2 LYS 83 2HZ LYS 83 -15.125 6.829 10.245 630 HZ3 LYS 83 3HZ LYS 83 -15.435 6.266 8.672 631 H HIS 84 HN HIS 84 -11.817 1.522 5.886 632 HA HIS 84 HA HIS 84 -9.758 1.669 4.363 633 HB2 HIS 84 2HB HIS 84 -8.543 1.184 7.070 634 HB3 HIS 84 1HB HIS 84 -7.787 0.504 5.638 635 HD1 HIS 84 1HD HIS 84 -8.397 2.812 3.646 636 HD2 HIS 84 2HD HIS 84 -6.815 3.369 7.463 637 HE1 HIS 84 1HE HIS 84 -7.181 5.037 3.602 638 H VAL 85 HN VAL 85 -10.084 -0.029 3.079 639 HA VAL 85 HA VAL 85 -10.962 -2.568 4.223 640 HB VAL 85 HB VAL 85 -10.466 -2.155 1.308 641 HG11 VAL 85 1HG1 VAL 85 -11.272 -4.325 2.193 642 HG12 VAL 85 2HG1 VAL 85 -12.478 -3.562 1.157 643 HG13 VAL 85 3HG1 VAL 85 -12.656 -3.503 2.910 644 HG21 VAL 85 1HG2 VAL 85 -11.590 -0.127 1.692 645 HG22 VAL 85 2HG2 VAL 85 -12.550 -0.801 3.009 646 HG23 VAL 85 3HG2 VAL 85 -12.914 -1.239 1.339 647 H ALA 86 HN ALA 86 -9.671 -3.738 1.696 648 HA ALA 86 HA ALA 86 -7.107 -3.671 1.339 649 HB1 ALA 86 1HB ALA 86 -6.200 -3.633 3.440 650 HB2 ALA 86 2HB ALA 86 -6.124 -5.355 3.081 651 HB3 ALA 86 3HB ALA 86 -7.419 -4.725 4.106 652 H TYR 87 HN TYR 87 -6.322 -5.251 0.132 653 HA TYR 87 HA TYR 87 -7.629 -7.892 0.197 654 HB2 TYR 87 2HB TYR 87 -7.112 -6.234 -2.277 655 HB3 TYR 87 1HB TYR 87 -7.608 -7.922 -2.286 656 HD1 TYR 87 1HD TYR 87 -8.622 -4.537 -1.071 657 HD2 TYR 87 2HD TYR 87 -9.869 -8.515 -2.089 658 HE1 TYR 87 1HE TYR 87 -10.993 -3.844 -0.858 659 HE2 TYR 87 2HE TYR 87 -12.244 -7.826 -1.879 660 HH TYR 87 HH TYR 87 -13.217 -5.040 -0.358 661 H ILE 88 HN ILE 88 -6.206 -9.490 0.198 662 HA ILE 88 HA ILE 88 -3.391 -8.874 -0.470 663 HB ILE 88 HB ILE 88 -4.244 -11.257 1.153 664 HG12 ILE 88 2HG1 ILE 88 -3.801 -8.429 2.172 665 HG13 ILE 88 1HG1 ILE 88 -5.320 -9.324 2.228 666 HG21 ILE 88 1HG2 ILE 88 -1.832 -10.496 0.187 667 HG22 ILE 88 2HG2 ILE 88 -2.021 -11.375 1.704 668 HG23 ILE 88 3HG2 ILE 88 -1.825 -9.621 1.721 669 HD11 ILE 88 1HD1 ILE 88 -3.030 -9.463 4.026 670 HD12 ILE 88 2HD1 ILE 88 -3.476 -11.055 3.407 671 HD13 ILE 88 3HD1 ILE 88 -4.670 -10.073 4.255 672 H ILE 89 HN ILE 89 -2.834 -9.616 -2.438 673 HA ILE 89 HA ILE 89 -4.052 -12.146 -3.364 674 HB ILE 89 HB ILE 89 -2.786 -10.475 -5.399 675 HG12 ILE 89 2HG1 ILE 89 -3.665 -8.656 -3.989 676 HG13 ILE 89 1HG1 ILE 89 -4.597 -8.792 -5.476 677 HG21 ILE 89 1HG2 ILE 89 -5.575 -11.623 -5.151 678 HG22 ILE 89 2HG2 ILE 89 -4.191 -12.470 -5.832 679 HG23 ILE 89 3HG2 ILE 89 -4.817 -11.025 -6.624 680 HD11 ILE 89 1HD1 ILE 89 -5.529 -8.971 -2.776 681 HD12 ILE 89 2HD1 ILE 89 -5.803 -10.524 -3.560 682 HD13 ILE 89 3HD1 ILE 89 -6.466 -9.050 -4.263 683 H ARG 90 HN ARG 90 -2.725 -13.584 -4.529 684 HA ARG 90 HA ARG 90 0.121 -13.419 -3.814 685 HB2 ARG 90 2HB ARG 90 -0.569 -15.871 -5.132 686 HB3 ARG 90 1HB ARG 90 -0.049 -15.628 -3.464 687 HG2 ARG 90 2HG ARG 90 -2.388 -15.054 -2.844 688 HG3 ARG 90 1HG ARG 90 -2.888 -15.387 -4.503 689 HD2 ARG 90 2HD ARG 90 -1.490 -17.406 -2.732 690 HD3 ARG 90 1HD ARG 90 -3.239 -17.314 -2.919 691 HE ARG 90 HE ARG 90 -1.852 -17.510 -5.438 692 HH11 ARG 90 1HH1 ARG 90 -2.124 -19.460 -6.571 693 HH12 ARG 90 2HH1 ARG 90 -2.758 -20.848 -5.753 694 HH21 ARG 90 1HH2 ARG 90 -3.100 -19.228 -2.706 695 HH22 ARG 90 2HH2 ARG 90 -3.310 -20.718 -3.564 696 H SER 91 HN SER 91 1.128 -12.204 -5.335 697 HA SER 91 HA SER 91 0.563 -11.692 -7.922 698 HB2 SER 91 2HB SER 91 2.723 -11.244 -6.332 699 HB3 SER 91 1HB SER 91 3.404 -12.351 -7.520 700 HG SER 91 HG SER 91 2.809 -10.960 -9.135 701 H HIS 92 HN HIS 92 1.606 -12.493 -9.928 702 HA HIS 92 HA HIS 92 1.040 -15.301 -10.242 703 HB2 HIS 92 2HB HIS 92 2.066 -13.184 -12.142 704 HB3 HIS 92 1HB HIS 92 1.764 -14.854 -12.620 705 HD1 HIS 92 1HD HIS 92 -0.381 -12.803 -10.256 706 HD2 HIS 92 2HD HIS 92 -0.599 -14.485 -14.065 707 HE1 HIS 92 1HE HIS 92 -2.775 -12.513 -11.031 708 H VAL 93 HN VAL 93 3.663 -13.621 -9.109 709 HA VAL 93 HA VAL 93 5.583 -15.657 -10.081 710 HB VAL 93 HB VAL 93 6.098 -12.851 -9.066 711 HG11 VAL 93 1HG1 VAL 93 8.420 -13.514 -10.116 712 HG12 VAL 93 2HG1 VAL 93 7.869 -15.161 -9.808 713 HG13 VAL 93 3HG1 VAL 93 8.029 -14.022 -8.473 714 HG21 VAL 93 1HG2 VAL 93 6.417 -12.216 -11.289 715 HG22 VAL 93 2HG2 VAL 93 5.086 -13.360 -11.453 716 HG23 VAL 93 3HG2 VAL 93 6.732 -13.868 -11.821 717 H LYS 94 HN LYS 94 7.085 -16.514 -8.580 718 HA LYS 94 HA LYS 94 5.977 -17.060 -6.007 719 HB2 LYS 94 2HB LYS 94 7.812 -18.302 -7.624 720 HB3 LYS 94 1HB LYS 94 8.841 -17.620 -6.364 721 HG2 LYS 94 2HG LYS 94 7.406 -18.657 -4.634 722 HG3 LYS 94 1HG LYS 94 6.399 -19.360 -5.902 723 HD2 LYS 94 2HD LYS 94 8.034 -20.874 -6.558 724 HD3 LYS 94 1HD LYS 94 9.354 -19.866 -5.962 725 HE2 LYS 94 2HE LYS 94 8.741 -20.369 -3.650 726 HE3 LYS 94 1HE LYS 94 7.353 -21.307 -4.200 727 HZ1 LYS 94 1HZ LYS 94 9.977 -22.174 -3.853 728 HZ2 LYS 94 2HZ LYS 94 9.655 -22.219 -5.522 729 HZ3 LYS 94 3HZ LYS 94 8.655 -23.061 -4.437 730 H ASP 95 HN ASP 95 6.747 -16.461 -3.970 731 HA ASP 95 HA ASP 95 7.623 -15.038 -2.378 732 HB2 ASP 95 2HB ASP 95 9.693 -14.049 -4.288 733 HB3 ASP 95 1HB ASP 95 9.845 -14.455 -2.580 734 H HIS 96 HN HIS 96 5.655 -14.128 -4.453 735 HA HIS 96 HA HIS 96 6.044 -11.247 -4.014 736 HB2 HIS 96 2HB HIS 96 5.540 -12.633 -6.619 737 HB3 HIS 96 1HB HIS 96 5.031 -10.961 -6.367 738 HD1 HIS 96 1HD HIS 96 8.149 -13.117 -6.218 739 HD2 HIS 96 2HD HIS 96 7.101 -9.090 -6.455 740 HE1 HIS 96 1HE HIS 96 10.306 -11.834 -6.537 741 H TYR 97 HN TYR 97 4.303 -10.139 -3.419 742 HA TYR 97 HA TYR 97 1.642 -11.358 -3.726 743 HB2 TYR 97 2HB TYR 97 3.036 -10.719 -1.185 744 HB3 TYR 97 1HB TYR 97 1.328 -10.287 -1.289 745 HD1 TYR 97 1HD TYR 97 3.728 -13.073 -1.789 746 HD2 TYR 97 2HD TYR 97 -0.359 -11.944 -1.147 747 HE1 TYR 97 1HE TYR 97 3.119 -15.463 -1.470 748 HE2 TYR 97 2HE TYR 97 -0.977 -14.321 -0.830 749 HH TYR 97 HH TYR 97 0.178 -16.444 -0.141 750 H ILE 98 HN ILE 98 0.047 -9.929 -4.179 751 HA ILE 98 HA ILE 98 0.810 -7.120 -4.490 752 HB ILE 98 HB ILE 98 -1.778 -8.398 -5.357 753 HG12 ILE 98 2HG1 ILE 98 0.116 -9.734 -6.282 754 HG13 ILE 98 1HG1 ILE 98 -0.811 -8.910 -7.527 755 HG21 ILE 98 1HG2 ILE 98 -1.626 -6.598 -7.109 756 HG22 ILE 98 2HG2 ILE 98 -0.223 -5.971 -6.247 757 HG23 ILE 98 3HG2 ILE 98 -1.797 -6.009 -5.456 758 HD11 ILE 98 1HD1 ILE 98 1.262 -7.118 -6.729 759 HD12 ILE 98 2HD1 ILE 98 1.085 -7.959 -8.265 760 HD13 ILE 98 3HD1 ILE 98 1.991 -8.708 -6.955 761 H PHE 99 HN PHE 99 0.038 -5.589 -3.123 762 HA PHE 99 HA PHE 99 -2.134 -6.420 -1.311 763 HB2 PHE 99 2HB PHE 99 0.076 -6.065 -0.196 764 HB3 PHE 99 1HB PHE 99 0.065 -4.404 -0.784 765 HD1 PHE 99 1HD PHE 99 -1.057 -6.651 1.780 766 HD2 PHE 99 2HD PHE 99 -1.942 -2.911 -0.141 767 HE1 PHE 99 1HE PHE 99 -2.460 -5.986 3.713 768 HE2 PHE 99 2HE PHE 99 -3.338 -2.246 1.789 769 HZ PHE 99 HZ PHE 99 -3.598 -3.779 3.715 770 H TYR 100 HN TYR 100 -3.933 -5.178 -1.347 771 HA TYR 100 HA TYR 100 -3.759 -2.522 -2.652 772 HB2 TYR 100 2HB TYR 100 -4.612 -3.866 -4.406 773 HB3 TYR 100 1HB TYR 100 -5.618 -4.808 -3.308 774 HD1 TYR 100 1HD TYR 100 -5.052 -1.237 -4.210 775 HD2 TYR 100 2HD TYR 100 -7.906 -4.291 -3.284 776 HE1 TYR 100 1HE TYR 100 -6.877 0.373 -4.556 777 HE2 TYR 100 2HE TYR 100 -9.752 -2.671 -3.625 778 HH TYR 100 HH TYR 100 -9.712 -0.164 -5.236 779 H SER 101 HN SER 101 -5.489 -1.087 -2.034 780 HA SER 101 HA SER 101 -7.353 -1.881 -0.026 781 HB2 SER 101 2HB SER 101 -6.308 -0.249 1.699 782 HB3 SER 101 1HB SER 101 -5.639 -1.870 1.560 783 HG SER 101 HG SER 101 -4.545 -0.110 -0.211 784 H GLU 102 HN GLU 102 -8.716 -0.211 0.671 785 HA GLU 102 HA GLU 102 -8.486 2.315 -0.827 786 HB2 GLU 102 2HB GLU 102 -11.243 1.697 -0.657 787 HB3 GLU 102 1HB GLU 102 -10.252 1.830 -2.110 788 HG2 GLU 102 2HG GLU 102 -9.580 -0.545 -1.841 789 HG3 GLU 102 1HG GLU 102 -10.637 -0.663 -0.439 790 H GLY 103 HN GLY 103 -9.561 4.047 0.110 791 HA2 GLY 103 2HA GLY 103 -10.963 3.847 2.607 792 HA3 GLY 103 1HA GLY 103 -9.313 4.429 2.816 793 H GLU 104 HN GLU 104 -10.344 6.412 3.591 794 HA GLU 104 HA GLU 104 -11.006 8.191 1.335 795 HB2 GLU 104 2HB GLU 104 -12.619 7.590 3.741 796 HB3 GLU 104 1HB GLU 104 -12.464 9.300 3.337 797 HG2 GLU 104 2HG GLU 104 -14.427 8.304 2.221 798 HG3 GLU 104 1HG GLU 104 -13.232 8.834 1.040 799 H LEU 105 HN LEU 105 -10.034 10.135 1.365 800 HA LEU 105 HA LEU 105 -8.605 10.936 3.822 801 HB2 LEU 105 2HB LEU 105 -7.079 9.895 2.078 802 HB3 LEU 105 1HB LEU 105 -7.469 11.269 1.042 803 HG LEU 105 HG LEU 105 -6.846 12.554 3.359 804 HD11 LEU 105 1HD1 LEU 105 -4.886 11.503 4.348 805 HD12 LEU 105 2HD1 LEU 105 -4.971 10.177 3.189 806 HD13 LEU 105 3HD1 LEU 105 -6.232 10.364 4.409 807 HD21 LEU 105 1HD2 LEU 105 -4.942 11.636 1.180 808 HD22 LEU 105 2HD2 LEU 105 -4.623 12.958 2.302 809 HD23 LEU 105 3HD2 LEU 105 -5.946 13.086 1.143 810 H HIS 106 HN HIS 106 -9.813 12.625 4.431 811 HA HIS 106 HA HIS 106 -10.654 14.746 4.459 812 HB2 HIS 106 2HB HIS 106 -9.333 15.245 1.799 813 HB3 HIS 106 1HB HIS 106 -9.717 16.409 3.065 814 HD1 HIS 106 1HD HIS 106 -8.597 14.913 5.513 815 HD2 HIS 106 2HD HIS 106 -6.548 15.271 1.901 816 HE1 HIS 106 1HE HIS 106 -6.143 14.599 6.048 817 H GLY 107 HN GLY 107 -12.093 12.542 3.234 818 HA2 GLY 107 2HA GLY 107 -14.244 12.378 2.371 819 HA3 GLY 107 1HA GLY 107 -14.193 14.098 2.001 820 H LYS 108 HN LYS 108 -11.531 12.210 0.907 821 HA LYS 108 HA LYS 108 -12.682 12.082 -1.816 822 HB2 LYS 108 2HB LYS 108 -9.950 13.038 -0.966 823 HB3 LYS 108 1HB LYS 108 -10.338 12.591 -2.627 824 HG2 LYS 108 2HG LYS 108 -11.237 14.623 -2.972 825 HG3 LYS 108 1HG LYS 108 -12.400 14.342 -1.677 826 HD2 LYS 108 2HD LYS 108 -10.789 15.129 -0.017 827 HD3 LYS 108 1HD LYS 108 -9.577 15.358 -1.275 828 HE2 LYS 108 2HE LYS 108 -10.653 17.500 -0.750 829 HE3 LYS 108 1HE LYS 108 -11.069 17.001 -2.389 830 HZ1 LYS 108 1HZ LYS 108 -13.051 17.703 -1.316 831 HZ2 LYS 108 2HZ LYS 108 -12.740 16.741 0.050 832 HZ3 LYS 108 3HZ LYS 108 -13.126 16.012 -1.435 833 HA PRO 109 HA PRO 109 -11.648 7.723 -0.828 834 HB2 PRO 109 2HB PRO 109 -12.245 7.576 -3.756 835 HB3 PRO 109 1HB PRO 109 -12.765 6.500 -2.443 836 HG2 PRO 109 2HG PRO 109 -14.423 8.290 -3.477 837 HG3 PRO 109 1HG PRO 109 -14.422 7.933 -1.742 838 HD2 PRO 109 2HD PRO 109 -13.398 10.340 -3.169 839 HD3 PRO 109 1HD PRO 109 -14.050 10.197 -1.520 840 H VAL 110 HN VAL 110 -9.820 6.475 -1.138 841 HA VAL 110 HA VAL 110 -7.978 7.173 -3.297 842 HB VAL 110 HB VAL 110 -6.054 7.156 -1.629 843 HG11 VAL 110 1HG1 VAL 110 -8.062 9.425 -1.479 844 HG12 VAL 110 2HG1 VAL 110 -6.890 9.187 -2.776 845 HG13 VAL 110 3HG1 VAL 110 -6.335 9.543 -1.141 846 HG21 VAL 110 1HG2 VAL 110 -7.639 8.263 0.509 847 HG22 VAL 110 2HG2 VAL 110 -6.491 6.925 0.565 848 HG23 VAL 110 3HG2 VAL 110 -8.179 6.620 0.163 849 H ARG 111 HN ARG 111 -7.272 5.422 -4.229 850 HA ARG 111 HA ARG 111 -7.228 2.867 -2.742 851 HB2 ARG 111 2HB ARG 111 -7.168 2.388 -5.538 852 HB3 ARG 111 1HB ARG 111 -8.483 2.035 -4.420 853 HG2 ARG 111 2HG ARG 111 -8.120 4.772 -5.667 854 HG3 ARG 111 1HG ARG 111 -9.036 3.495 -6.452 855 HD2 ARG 111 2HD ARG 111 -10.711 3.502 -4.860 856 HD3 ARG 111 1HD ARG 111 -9.658 4.117 -3.594 857 HE ARG 111 HE ARG 111 -10.205 6.271 -4.271 858 HH11 ARG 111 1HH1 ARG 111 -11.276 7.776 -5.599 859 HH12 ARG 111 2HH1 ARG 111 -11.968 7.259 -7.100 860 HH21 ARG 111 1HH2 ARG 111 -10.993 3.954 -6.717 861 HH22 ARG 111 2HH2 ARG 111 -11.808 5.095 -7.733 862 H GLY 112 HN GLY 112 -5.287 1.756 -2.701 863 HA2 GLY 112 2HA GLY 112 -3.160 2.632 -4.537 864 HA3 GLY 112 1HA GLY 112 -2.860 2.679 -2.808 865 H VAL 113 HN VAL 113 -1.652 1.120 -5.039 866 HA VAL 113 HA VAL 113 -2.078 -1.597 -3.989 867 HB VAL 113 HB VAL 113 -0.796 -1.033 -6.633 868 HG11 VAL 113 1HG1 VAL 113 -1.278 -3.267 -7.053 869 HG12 VAL 113 2HG1 VAL 113 -2.724 -3.240 -6.033 870 HG13 VAL 113 3HG1 VAL 113 -1.129 -3.307 -5.288 871 HG21 VAL 113 1HG2 VAL 113 -3.359 -1.550 -7.368 872 HG22 VAL 113 2HG2 VAL 113 -2.700 0.078 -7.237 873 HG23 VAL 113 3HG2 VAL 113 -3.643 -0.597 -5.914 874 H LYS 114 HN LYS 114 -0.290 -2.765 -3.386 875 HA LYS 114 HA LYS 114 2.357 -1.511 -3.774 876 HB2 LYS 114 2HB LYS 114 2.110 -2.972 -1.271 877 HB3 LYS 114 1HB LYS 114 2.700 -1.334 -1.563 878 HG2 LYS 114 2HG LYS 114 0.356 -0.550 -1.768 879 HG3 LYS 114 1HG LYS 114 -0.196 -2.170 -1.366 880 HD2 LYS 114 2HD LYS 114 -0.014 -1.679 0.809 881 HD3 LYS 114 1HD LYS 114 1.716 -1.441 0.575 882 HE2 LYS 114 2HE LYS 114 -0.373 0.679 0.017 883 HE3 LYS 114 1HE LYS 114 0.550 0.573 1.517 884 HZ1 LYS 114 1HZ LYS 114 2.550 0.973 0.393 885 HZ2 LYS 114 2HZ LYS 114 1.456 2.098 -0.257 886 HZ3 LYS 114 3HZ LYS 114 1.861 0.698 -1.131 887 H LEU 115 HN LEU 115 3.939 -2.889 -4.410 888 HA LEU 115 HA LEU 115 3.264 -5.749 -4.649 889 HB2 LEU 115 2HB LEU 115 4.016 -4.734 -6.745 890 HB3 LEU 115 1HB LEU 115 5.434 -4.070 -5.954 891 HG LEU 115 HG LEU 115 6.314 -6.311 -5.560 892 HD11 LEU 115 1HD1 LEU 115 4.502 -7.712 -5.139 893 HD12 LEU 115 2HD1 LEU 115 4.954 -8.200 -6.775 894 HD13 LEU 115 3HD1 LEU 115 3.596 -7.106 -6.525 895 HD21 LEU 115 1HD2 LEU 115 5.647 -6.896 -8.293 896 HD22 LEU 115 2HD2 LEU 115 7.161 -6.267 -7.643 897 HD23 LEU 115 3HD2 LEU 115 5.876 -5.156 -8.115 898 H VAL 116 HN VAL 116 4.062 -7.039 -3.147 899 HA VAL 116 HA VAL 116 6.598 -6.265 -1.895 900 HB VAL 116 HB VAL 116 5.646 -6.162 0.111 901 HG11 VAL 116 1HG1 VAL 116 3.020 -6.816 -1.268 902 HG12 VAL 116 2HG1 VAL 116 3.754 -5.214 -1.272 903 HG13 VAL 116 3HG1 VAL 116 3.221 -5.935 0.245 904 HG21 VAL 116 1HG2 VAL 116 4.299 -8.800 -0.538 905 HG22 VAL 116 2HG2 VAL 116 4.294 -8.019 1.043 906 HG23 VAL 116 3HG2 VAL 116 5.803 -8.553 0.340 907 H GLY 117 HN GLY 117 8.056 -7.916 -1.404 908 HA2 GLY 117 2HA GLY 117 7.188 -10.622 -2.188 909 HA3 GLY 117 1HA GLY 117 8.574 -9.927 -2.996 910 H ARG 118 HN ARG 118 10.563 -10.224 -2.064 911 HA ARG 118 HA ARG 118 10.976 -10.685 0.711 912 HB2 ARG 118 2HB ARG 118 9.821 -12.825 -0.044 913 HB3 ARG 118 1HB ARG 118 11.269 -13.150 -0.991 914 HG2 ARG 118 2HG ARG 118 12.649 -13.163 0.986 915 HG3 ARG 118 1HG ARG 118 11.307 -12.603 1.986 916 HD2 ARG 118 2HD ARG 118 10.421 -14.673 2.152 917 HD3 ARG 118 1HD ARG 118 10.658 -14.997 0.438 918 HE ARG 118 HE ARG 118 12.492 -16.239 1.078 919 HH11 ARG 118 1HH1 ARG 118 14.259 -16.786 2.393 920 HH12 ARG 118 2HH1 ARG 118 14.612 -15.838 3.800 921 HH21 ARG 118 1HH2 ARG 118 11.967 -13.649 3.310 922 HH22 ARG 118 2HH2 ARG 118 13.314 -14.061 4.319 923 H ASP 119 HN ASP 119 12.063 -10.691 -2.570 924 HA ASP 119 HA ASP 119 14.741 -9.962 -1.718 925 HB2 ASP 119 2HB ASP 119 14.098 -12.661 -2.585 926 HB3 ASP 119 1HB ASP 119 15.308 -11.916 -3.626 927 HA PRO 120 HA PRO 120 14.677 -7.593 -5.417 928 HB2 PRO 120 2HB PRO 120 17.263 -7.861 -6.348 929 HB3 PRO 120 1HB PRO 120 16.781 -6.791 -5.020 930 HG2 PRO 120 2HG PRO 120 18.048 -9.475 -4.923 931 HG3 PRO 120 1HG PRO 120 18.304 -8.063 -3.884 932 HD2 PRO 120 2HD PRO 120 16.807 -10.207 -3.110 933 HD3 PRO 120 1HD PRO 120 16.487 -8.556 -2.537 934 H LYS 121 HN LYS 121 14.967 -10.905 -5.519 935 HA LYS 121 HA LYS 121 15.643 -11.418 -8.216 936 HB2 LYS 121 2HB LYS 121 13.998 -12.955 -6.206 937 HB3 LYS 121 1HB LYS 121 14.334 -13.564 -7.825 938 HG2 LYS 121 2HG LYS 121 16.616 -13.793 -7.427 939 HG3 LYS 121 1HG LYS 121 16.624 -12.559 -6.172 940 HD2 LYS 121 2HD LYS 121 16.926 -14.677 -5.076 941 HD3 LYS 121 1HD LYS 121 15.282 -14.153 -4.722 942 HE2 LYS 121 2HE LYS 121 15.191 -15.621 -7.164 943 HE3 LYS 121 1HE LYS 121 16.147 -16.560 -6.022 944 HZ1 LYS 121 1HZ LYS 121 14.034 -17.212 -5.492 945 HZ2 LYS 121 2HZ LYS 121 13.347 -15.696 -5.834 946 HZ3 LYS 121 3HZ LYS 121 14.237 -15.926 -4.404 947 H ASN 122 HN ASN 122 14.101 -12.235 -9.889 948 HA ASN 122 HA ASN 122 12.402 -11.697 -11.360 949 HB2 ASN 122 2HB ASN 122 10.804 -11.675 -8.797 950 HB3 ASN 122 1HB ASN 122 10.147 -11.841 -10.423 951 HD21 ASN 122 1HD2 ASN 122 12.439 -13.572 -11.309 952 HD22 ASN 122 2HD2 ASN 122 12.166 -15.083 -10.584 953 H ASN 123 HN ASN 123 10.314 -10.045 -9.362 954 HA ASN 123 HA ASN 123 9.869 -7.818 -8.970 955 HB2 ASN 123 2HB ASN 123 12.534 -7.786 -8.904 956 HB3 ASN 123 1HB ASN 123 12.280 -6.877 -10.392 957 HD21 ASN 123 1HD2 ASN 123 9.598 -5.886 -9.266 958 HD22 ASN 123 2HD2 ASN 123 10.037 -4.657 -8.179 959 H LEU 124 HN LEU 124 11.467 -8.406 -12.051 960 HA LEU 124 HA LEU 124 10.022 -6.404 -13.443 961 HB2 LEU 124 2HB LEU 124 10.796 -7.714 -15.511 962 HB3 LEU 124 1HB LEU 124 12.040 -7.015 -14.478 963 HG LEU 124 HG LEU 124 11.338 -9.665 -13.540 964 HD11 LEU 124 1HD1 LEU 124 10.719 -10.087 -15.878 965 HD12 LEU 124 2HD1 LEU 124 12.223 -10.920 -15.483 966 HD13 LEU 124 3HD1 LEU 124 12.263 -9.423 -16.416 967 HD21 LEU 124 1HD2 LEU 124 13.423 -8.324 -13.105 968 HD22 LEU 124 2HD2 LEU 124 13.892 -8.620 -14.779 969 HD23 LEU 124 3HD2 LEU 124 13.730 -9.970 -13.658 970 H GLU 125 HN GLU 125 9.655 -9.944 -13.368 971 HA GLU 125 HA GLU 125 7.309 -9.922 -14.984 972 HB2 GLU 125 2HB GLU 125 8.734 -11.910 -13.283 973 HB3 GLU 125 1HB GLU 125 7.023 -12.208 -13.585 974 HG2 GLU 125 2HG GLU 125 8.826 -11.476 -15.873 975 HG3 GLU 125 1HG GLU 125 8.812 -13.133 -15.271 976 H ALA 126 HN ALA 126 8.045 -9.687 -11.597 977 HA ALA 126 HA ALA 126 5.354 -9.871 -10.657 978 HB1 ALA 126 1HB ALA 126 7.715 -10.031 -9.404 979 HB2 ALA 126 2HB ALA 126 6.233 -9.572 -8.567 980 HB3 ALA 126 3HB ALA 126 7.364 -8.329 -9.102 981 H LEU 127 HN LEU 127 7.495 -7.231 -11.632 982 HA LEU 127 HA LEU 127 5.821 -5.137 -10.756 983 HB2 LEU 127 2HB LEU 127 8.094 -5.369 -12.660 984 HB3 LEU 127 1HB LEU 127 7.044 -3.969 -12.833 985 HG LEU 127 HG LEU 127 8.024 -4.724 -10.100 986 HD11 LEU 127 1HD1 LEU 127 10.061 -4.707 -11.437 987 HD12 LEU 127 2HD1 LEU 127 9.989 -3.224 -10.485 988 HD13 LEU 127 3HD1 LEU 127 9.584 -3.191 -12.201 989 HD21 LEU 127 1HD2 LEU 127 7.571 -2.464 -9.615 990 HD22 LEU 127 2HD2 LEU 127 6.287 -2.882 -10.749 991 HD23 LEU 127 3HD2 LEU 127 7.695 -1.981 -11.305 992 H GLU 128 HN GLU 128 5.972 -7.023 -13.751 993 HA GLU 128 HA GLU 128 4.069 -5.446 -15.158 994 HB2 GLU 128 2HB GLU 128 5.338 -6.935 -16.485 995 HB3 GLU 128 1HB GLU 128 5.015 -8.297 -15.411 996 HG2 GLU 128 2HG GLU 128 2.790 -8.517 -16.159 997 HG3 GLU 128 1HG GLU 128 2.767 -6.892 -16.846 998 H ASP 129 HN ASP 129 3.821 -8.320 -13.115 999 HA ASP 129 HA ASP 129 1.025 -8.666 -13.387 1000 HB2 ASP 129 2HB ASP 129 2.799 -10.278 -12.385 1001 HB3 ASP 129 1HB ASP 129 2.531 -9.388 -10.887 1002 H PHE 130 HN PHE 130 3.014 -6.828 -11.103 1003 HA PHE 130 HA PHE 130 0.828 -5.982 -9.492 1004 HB2 PHE 130 2HB PHE 130 3.009 -5.810 -8.565 1005 HB3 PHE 130 1HB PHE 130 3.622 -4.954 -9.980 1006 HD1 PHE 130 1HD PHE 130 1.590 -4.722 -6.957 1007 HD2 PHE 130 2HD PHE 130 3.131 -2.589 -10.334 1008 HE1 PHE 130 1HE PHE 130 0.984 -2.606 -5.889 1009 HE2 PHE 130 2HE PHE 130 2.516 -0.444 -9.256 1010 HZ PHE 130 HZ PHE 130 1.439 -0.446 -7.021 1011 H GLU 131 HN GLU 131 2.662 -4.571 -12.150 1012 HA GLU 131 HA GLU 131 1.243 -2.163 -12.368 1013 HB2 GLU 131 2HB GLU 131 3.422 -2.569 -13.469 1014 HB3 GLU 131 1HB GLU 131 2.641 -3.714 -14.559 1015 HG2 GLU 131 2HG GLU 131 1.460 -2.053 -15.685 1016 HG3 GLU 131 1HG GLU 131 1.536 -0.934 -14.325 1017 H LYS 132 HN LYS 132 0.283 -5.379 -13.006 1018 HA LYS 132 HA LYS 132 -1.704 -4.563 -14.982 1019 HB2 LYS 132 2HB LYS 132 -0.727 -7.137 -13.872 1020 HB3 LYS 132 1HB LYS 132 -2.429 -7.077 -14.328 1021 HG2 LYS 132 2HG LYS 132 -1.866 -6.375 -16.568 1022 HG3 LYS 132 1HG LYS 132 -0.166 -6.200 -16.137 1023 HD2 LYS 132 2HD LYS 132 0.186 -8.359 -16.652 1024 HD3 LYS 132 1HD LYS 132 -0.971 -8.837 -15.412 1025 HE2 LYS 132 2HE LYS 132 -1.612 -9.702 -17.649 1026 HE3 LYS 132 1HE LYS 132 -2.820 -8.589 -17.006 1027 HZ1 LYS 132 1HZ LYS 132 -0.638 -7.724 -18.813 1028 HZ2 LYS 132 2HZ LYS 132 -2.033 -6.860 -18.373 1029 HZ3 LYS 132 3HZ LYS 132 -2.156 -8.222 -19.382 1030 H ALA 133 HN ALA 133 -1.335 -5.468 -11.621 1031 HA ALA 133 HA ALA 133 -4.094 -5.422 -10.954 1032 HB1 ALA 133 1HB ALA 133 -2.375 -6.434 -9.484 1033 HB2 ALA 133 2HB ALA 133 -3.336 -5.229 -8.627 1034 HB3 ALA 133 3HB ALA 133 -1.710 -4.829 -9.179 1035 H ALA 134 HN ALA 134 -1.542 -2.919 -10.625 1036 HA ALA 134 HA ALA 134 -3.252 -0.917 -9.675 1037 HB1 ALA 134 1HB ALA 134 -1.301 0.211 -9.631 1038 HB2 ALA 134 2HB ALA 134 -1.236 0.195 -11.395 1039 HB3 ALA 134 3HB ALA 134 -0.533 -1.133 -10.475 1040 H GLY 135 HN GLY 135 -2.291 -1.928 -12.939 1041 HA2 GLY 135 2HA GLY 135 -3.715 0.031 -14.348 1042 HA3 GLY 135 1HA GLY 135 -3.348 -1.582 -14.968 1043 H ALA 136 HN ALA 136 -4.627 -3.239 -13.362 1044 HA ALA 136 HA ALA 136 -7.289 -3.209 -14.196 1045 HB1 ALA 136 1HB ALA 136 -6.040 -5.230 -13.415 1046 HB2 ALA 136 2HB ALA 136 -7.623 -5.056 -12.657 1047 HB3 ALA 136 3HB ALA 136 -6.165 -4.617 -11.765 1048 H ARG 137 HN ARG 137 -5.727 -1.426 -11.749 1049 HA ARG 137 HA ARG 137 -8.315 -0.791 -10.473 1050 HB2 ARG 137 2HB ARG 137 -5.854 -1.510 -9.305 1051 HB3 ARG 137 1HB ARG 137 -6.027 0.224 -9.039 1052 HG2 ARG 137 2HG ARG 137 -7.089 -0.947 -7.193 1053 HG3 ARG 137 1HG ARG 137 -8.343 -0.195 -8.179 1054 HD2 ARG 137 2HD ARG 137 -7.827 -2.775 -9.273 1055 HD3 ARG 137 1HD ARG 137 -8.020 -2.965 -7.531 1056 HE ARG 137 HE ARG 137 -10.098 -1.323 -8.310 1057 HH11 ARG 137 1HH1 ARG 137 -12.141 -2.153 -8.850 1058 HH12 ARG 137 2HH1 ARG 137 -12.289 -3.794 -9.388 1059 HH21 ARG 137 1HH2 ARG 137 -8.896 -4.461 -9.142 1060 HH22 ARG 137 2HH2 ARG 137 -10.453 -5.098 -9.553 1061 H GLY 138 HN GLY 138 -6.251 0.227 -12.780 1062 HA2 GLY 138 2HA GLY 138 -6.131 2.218 -13.954 1063 HA3 GLY 138 1HA GLY 138 -7.341 2.876 -12.858 1064 H LEU 139 HN LEU 139 -4.215 1.518 -11.984 1065 HA LEU 139 HA LEU 139 -3.262 4.203 -11.232 1066 HB2 LEU 139 2HB LEU 139 -3.081 1.705 -9.532 1067 HB3 LEU 139 1HB LEU 139 -2.373 3.266 -9.129 1068 HG LEU 139 HG LEU 139 -5.330 2.812 -9.622 1069 HD11 LEU 139 1HD1 LEU 139 -3.911 3.178 -6.973 1070 HD12 LEU 139 2HD1 LEU 139 -4.426 1.614 -7.604 1071 HD13 LEU 139 3HD1 LEU 139 -5.625 2.851 -7.229 1072 HD21 LEU 139 1HD2 LEU 139 -3.638 5.176 -9.139 1073 HD22 LEU 139 2HD2 LEU 139 -5.016 5.058 -8.048 1074 HD23 LEU 139 3HD2 LEU 139 -5.272 5.076 -9.792 1075 H SER 140 HN SER 140 -2.725 2.259 -13.469 1076 HA SER 140 HA SER 140 0.038 1.453 -12.937 1077 HB2 SER 140 2HB SER 140 -0.115 0.461 -15.231 1078 HB3 SER 140 1HB SER 140 -1.316 -0.160 -14.104 1079 HG SER 140 HG SER 140 -1.645 1.222 -16.414 1080 H THR 141 HN THR 141 -1.505 4.201 -14.003 1081 HA THR 141 HA THR 141 0.933 5.101 -15.416 1082 HB THR 141 HB THR 141 -1.051 4.623 -16.936 1083 HG1 THR 141 1HG THR 141 0.463 6.915 -16.713 1084 HG21 THR 141 1HG2 THR 141 -2.182 7.238 -16.074 1085 HG22 THR 141 2HG2 THR 141 -2.542 5.834 -15.071 1086 HG23 THR 141 3HG2 THR 141 -2.995 5.839 -16.775 1087 H GLU 142 HN GLU 142 0.055 5.358 -12.639 1088 HA GLU 142 HA GLU 142 -0.531 8.240 -12.465 1089 HB2 GLU 142 2HB GLU 142 -0.969 7.762 -10.061 1090 HB3 GLU 142 1HB GLU 142 -2.009 6.850 -11.151 1091 HG2 GLU 142 2HG GLU 142 -1.224 4.906 -10.351 1092 HG3 GLU 142 1HG GLU 142 0.443 5.402 -10.627 1093 H SER 143 HN SER 143 0.706 7.391 -9.602 1094 HA SER 143 HA SER 143 3.240 8.728 -10.145 1095 HB2 SER 143 2HB SER 143 2.215 7.909 -7.448 1096 HB3 SER 143 1HB SER 143 3.358 9.188 -7.842 1097 HG SER 143 HG SER 143 1.593 10.356 -7.765 1098 H ILE 144 HN ILE 144 2.203 5.490 -9.851 1099 HA ILE 144 HA ILE 144 3.612 3.912 -8.464 1100 HB ILE 144 HB ILE 144 2.455 3.617 -10.809 1101 HG12 ILE 144 2HG1 ILE 144 2.666 1.868 -9.170 1102 HG13 ILE 144 1HG1 ILE 144 3.175 1.241 -10.736 1103 HG21 ILE 144 1HG2 ILE 144 3.934 2.870 -12.532 1104 HG22 ILE 144 2HG2 ILE 144 5.335 2.997 -11.474 1105 HG23 ILE 144 3HG2 ILE 144 4.500 4.456 -12.018 1106 HD11 ILE 144 1HD1 ILE 144 4.884 0.483 -9.346 1107 HD12 ILE 144 2HD1 ILE 144 4.842 1.927 -8.339 1108 HD13 ILE 144 3HD1 ILE 144 5.565 1.993 -9.943 1109 H LEU 145 HN LEU 145 5.464 3.590 -7.636 1110 HA LEU 145 HA LEU 145 7.843 4.076 -9.220 1111 HB2 LEU 145 2HB LEU 145 8.859 5.665 -7.852 1112 HB3 LEU 145 1HB LEU 145 7.186 6.210 -7.879 1113 HG LEU 145 HG LEU 145 8.518 4.598 -5.665 1114 HD11 LEU 145 1HD1 LEU 145 9.001 6.591 -4.780 1115 HD12 LEU 145 2HD1 LEU 145 7.289 7.023 -4.815 1116 HD13 LEU 145 3HD1 LEU 145 8.319 7.392 -6.198 1117 HD21 LEU 145 1HD2 LEU 145 6.337 3.827 -5.496 1118 HD22 LEU 145 2HD2 LEU 145 5.666 5.242 -6.304 1119 HD23 LEU 145 3HD2 LEU 145 6.166 5.344 -4.618 1120 H ILE 146 HN ILE 146 9.829 3.423 -7.905 1121 HA ILE 146 HA ILE 146 9.188 0.970 -6.398 1122 HB ILE 146 HB ILE 146 11.838 1.598 -7.688 1123 HG12 ILE 146 2HG1 ILE 146 10.693 -0.158 -9.406 1124 HG13 ILE 146 1HG1 ILE 146 9.268 0.758 -8.916 1125 HG21 ILE 146 1HG2 ILE 146 10.925 -1.169 -7.624 1126 HG22 ILE 146 2HG2 ILE 146 10.952 -0.468 -6.007 1127 HG23 ILE 146 3HG2 ILE 146 12.414 -0.472 -6.990 1128 HD11 ILE 146 1HD1 ILE 146 10.759 2.854 -9.355 1129 HD12 ILE 146 2HD1 ILE 146 10.070 2.002 -10.738 1130 HD13 ILE 146 3HD1 ILE 146 11.757 1.742 -10.293 1131 HA PRO 147 HA PRO 147 11.075 3.795 -3.309 1132 HB2 PRO 147 2HB PRO 147 9.890 2.766 -1.090 1133 HB3 PRO 147 1HB PRO 147 9.079 3.913 -2.174 1134 HG2 PRO 147 2HG PRO 147 8.775 0.971 -1.955 1135 HG3 PRO 147 1HG PRO 147 7.554 2.212 -2.284 1136 HD2 PRO 147 2HD PRO 147 8.709 0.599 -4.210 1137 HD3 PRO 147 1HD PRO 147 7.956 2.174 -4.548 1138 H ARG 148 HN ARG 148 13.107 3.415 -2.783 1139 HA ARG 148 HA ARG 148 14.501 1.081 -2.734 1140 HB2 ARG 148 2HB ARG 148 15.174 3.634 -2.232 1141 HB3 ARG 148 1HB ARG 148 15.238 2.996 -0.588 1142 HG2 ARG 148 2HG ARG 148 16.721 1.165 -1.375 1143 HG3 ARG 148 1HG ARG 148 16.700 1.868 -2.992 1144 HD2 ARG 148 2HD ARG 148 18.710 2.608 -1.833 1145 HD3 ARG 148 1HD ARG 148 17.628 3.980 -2.047 1146 HE ARG 148 HE ARG 148 17.248 2.644 0.477 1147 HH11 ARG 148 1HH1 ARG 148 17.889 3.806 2.322 1148 HH12 ARG 148 2HH1 ARG 148 18.920 5.187 2.153 1149 HH21 ARG 148 1HH2 ARG 148 19.132 4.939 -1.299 1150 HH22 ARG 148 2HH2 ARG 148 19.624 5.828 0.103 1151 H GLN 149 HN GLN 149 15.058 -0.486 -1.240 1152 HA GLN 149 HA GLN 149 13.101 -0.906 0.882 1153 HB2 GLN 149 2HB GLN 149 15.345 -2.806 0.358 1154 HB3 GLN 149 1HB GLN 149 13.667 -3.138 0.788 1155 HG2 GLN 149 2HG GLN 149 14.709 -2.203 -1.897 1156 HG3 GLN 149 1HG GLN 149 13.969 -3.761 -1.527 1157 HE21 GLN 149 1HE2 GLN 149 13.008 -1.708 -3.477 1158 HE22 GLN 149 2HE2 GLN 149 11.442 -1.292 -2.970 1159 H SER 150 HN SER 150 14.790 1.247 1.419 1160 HA SER 150 HA SER 150 17.112 0.771 2.849 1161 HB2 SER 150 2HB SER 150 15.877 3.006 2.265 1162 HB3 SER 150 1HB SER 150 15.121 2.787 3.841 1163 HG SER 150 HG SER 150 17.135 2.797 4.784 1164 H GLU 151 HN GLU 151 17.234 -0.907 4.242 1165 HA GLU 151 HA GLU 151 15.432 -2.144 5.788 1166 HB2 GLU 151 2HB GLU 151 18.168 -1.341 6.800 1167 HB3 GLU 151 1HB GLU 151 17.202 -2.706 7.360 1168 HG2 GLU 151 2HG GLU 151 18.263 -2.346 4.541 1169 HG3 GLU 151 1HG GLU 151 18.934 -3.434 5.755 1170 H THR 152 HN THR 152 16.538 1.116 6.295 1171 HA THR 152 HA THR 152 14.508 1.486 8.338 1172 HB THR 152 HB THR 152 16.092 1.020 9.945 1173 HG1 THR 152 1HG THR 152 17.025 3.607 9.355 1174 HG21 THR 152 1HG2 THR 152 17.901 0.370 8.514 1175 HG22 THR 152 2HG2 THR 152 18.540 1.602 9.601 1176 HG23 THR 152 3HG2 THR 152 18.122 2.021 7.939 1177 H CYS 153 HN CYS 153 13.690 3.529 8.290 1178 HA CYS 153 HA CYS 153 14.716 5.297 6.219 1179 HB2 CYS 153 2HB CYS 153 12.653 6.432 6.352 1180 HB3 CYS 153 1HB CYS 153 12.241 4.735 6.587 1181 H SER 154 HN SER 154 16.060 6.884 6.609 1182 HA SER 154 HA SER 154 16.948 8.776 7.624 1183 HB2 SER 154 2HB SER 154 15.711 8.155 10.270 1184 HB3 SER 154 1HB SER 154 16.016 9.713 9.510 1185 HG SER 154 HG SER 154 13.922 7.886 9.111 1186 HA PRO 155 HA PRO 155 19.401 5.202 9.561 1187 HB2 PRO 155 2HB PRO 155 21.383 5.234 7.603 1188 HB3 PRO 155 1HB PRO 155 20.012 4.112 7.651 1189 HG2 PRO 155 2HG PRO 155 20.365 6.599 6.065 1190 HG3 PRO 155 1HG PRO 155 19.582 5.073 5.620 1191 HD2 PRO 155 2HD PRO 155 18.149 7.275 6.297 1192 HD3 PRO 155 1HD PRO 155 17.587 5.630 6.671 1193 H GLY 156 HN GLY 156 21.567 7.178 7.611 1194 HA2 GLY 156 2HA GLY 156 23.369 8.482 8.236 1195 HA3 GLY 156 1HA GLY 156 22.170 9.305 9.230 1196 H SER 157 HN SER 157 23.136 5.949 9.653 1197 HA SER 157 HA SER 157 23.410 5.891 12.350 1198 HB2 SER 157 2HB SER 157 23.753 3.804 11.461 1199 HB3 SER 157 1HB SER 157 24.756 4.412 10.146 1200 HG SER 157 HG SER 157 25.439 3.599 12.686 1201 H ASP 158 HN ASP 158 24.669 6.806 13.844 1202 HA ASP 158 HA ASP 158 26.712 8.674 13.082 1203 HB2 ASP 158 2HB ASP 158 26.059 7.634 15.846 1204 HB3 ASP 158 1HB ASP 158 26.921 9.120 15.447 Start of MODEL 15 1 H1 HIS 1 1HT HIS 1 -11.249 -20.726 -11.366 2 H2 HIS 1 2HT HIS 1 -9.700 -20.873 -12.048 3 H3 HIS 1 3HT HIS 1 -10.534 -19.394 -12.136 4 HA HIS 1 HA HIS 1 -10.239 -20.325 -9.443 5 HB2 HIS 1 2HB HIS 1 -7.847 -20.015 -11.241 6 HB3 HIS 1 1HB HIS 1 -7.736 -19.551 -9.543 7 HD1 HIS 1 1HD HIS 1 -9.013 -21.609 -7.961 8 HD2 HIS 1 2HD HIS 1 -7.060 -22.638 -11.497 9 HE1 HIS 1 1HE HIS 1 -8.491 -24.081 -7.798 10 H HIS 2 HN HIS 2 -9.442 -18.446 -8.141 11 HA HIS 2 HA HIS 2 -9.144 -15.857 -9.199 12 HB2 HIS 2 2HB HIS 2 -11.847 -16.786 -9.195 13 HB3 HIS 2 1HB HIS 2 -11.690 -15.524 -7.972 14 HD1 HIS 2 1HD HIS 2 -10.015 -15.873 -11.388 15 HD2 HIS 2 2HD HIS 2 -12.417 -13.197 -9.275 16 HE1 HIS 2 1HE HIS 2 -10.286 -13.833 -12.864 17 H LEU 3 HN LEU 3 -9.350 -18.089 -6.736 18 HA LEU 3 HA LEU 3 -9.832 -16.713 -4.399 19 HB2 LEU 3 2HB LEU 3 -8.264 -18.290 -3.316 20 HB3 LEU 3 1HB LEU 3 -9.344 -19.109 -4.446 21 HG LEU 3 HG LEU 3 -7.077 -18.242 -5.929 22 HD11 LEU 3 1HD1 LEU 3 -5.276 -19.449 -4.740 23 HD12 LEU 3 2HD1 LEU 3 -6.373 -19.751 -3.393 24 HD13 LEU 3 3HD1 LEU 3 -5.881 -18.101 -3.778 25 HD21 LEU 3 1HD2 LEU 3 -7.890 -20.993 -4.936 26 HD22 LEU 3 2HD2 LEU 3 -6.809 -20.668 -6.290 27 HD23 LEU 3 3HD2 LEU 3 -8.508 -20.209 -6.390 28 H LEU 4 HN LEU 4 -8.407 -15.715 -2.845 29 HA LEU 4 HA LEU 4 -5.938 -14.557 -3.968 30 HB2 LEU 4 2HB LEU 4 -7.335 -12.678 -2.260 31 HB3 LEU 4 1HB LEU 4 -6.627 -12.458 -3.847 32 HG LEU 4 HG LEU 4 -8.654 -13.540 -4.850 33 HD11 LEU 4 1HD1 LEU 4 -9.184 -14.083 -2.084 34 HD12 LEU 4 2HD1 LEU 4 -10.124 -14.573 -3.493 35 HD13 LEU 4 3HD1 LEU 4 -10.462 -13.035 -2.703 36 HD21 LEU 4 1HD2 LEU 4 -8.410 -10.942 -3.534 37 HD22 LEU 4 2HD2 LEU 4 -10.095 -11.438 -3.721 38 HD23 LEU 4 3HD2 LEU 4 -9.045 -11.329 -5.134 39 H ALA 5 HN ALA 5 -7.960 -14.955 -1.075 40 HA ALA 5 HA ALA 5 -5.508 -15.465 0.472 41 HB1 ALA 5 1HB ALA 5 -6.117 -14.015 2.219 42 HB2 ALA 5 2HB ALA 5 -7.759 -13.824 1.607 43 HB3 ALA 5 3HB ALA 5 -6.408 -13.071 0.755 44 H SER 6 HN SER 6 -5.759 -17.530 0.986 45 HA SER 6 HA SER 6 -8.183 -18.914 1.273 46 HB2 SER 6 2HB SER 6 -5.363 -19.410 1.616 47 HB3 SER 6 1HB SER 6 -6.289 -20.184 2.900 48 HG SER 6 HG SER 6 -7.438 -21.303 1.399 49 H ASP 7 HN ASP 7 -9.367 -19.539 3.098 50 HA ASP 7 HA ASP 7 -9.564 -17.648 5.194 51 HB2 ASP 7 2HB ASP 7 -10.698 -20.405 4.761 52 HB3 ASP 7 1HB ASP 7 -10.997 -19.513 6.252 53 H GLU 8 HN GLU 8 -8.691 -21.102 5.435 54 HA GLU 8 HA GLU 8 -7.787 -21.239 7.991 55 HB2 GLU 8 2HB GLU 8 -6.476 -22.485 5.563 56 HB3 GLU 8 1HB GLU 8 -6.195 -22.984 7.232 57 HG2 GLU 8 2HG GLU 8 -8.640 -23.439 7.464 58 HG3 GLU 8 1HG GLU 8 -8.843 -23.051 5.757 59 H GLU 9 HN GLU 9 -5.688 -20.403 5.221 60 HA GLU 9 HA GLU 9 -4.282 -18.423 6.786 61 HB2 GLU 9 2HB GLU 9 -2.051 -19.553 6.473 62 HB3 GLU 9 1HB GLU 9 -3.115 -20.347 7.634 63 HG2 GLU 9 2HG GLU 9 -3.104 -22.238 6.419 64 HG3 GLU 9 1HG GLU 9 -3.651 -21.360 4.991 65 H ILE 10 HN ILE 10 -2.673 -17.272 5.508 66 HA ILE 10 HA ILE 10 -3.364 -17.313 2.648 67 HB ILE 10 HB ILE 10 -1.742 -15.206 4.061 68 HG12 ILE 10 2HG1 ILE 10 -4.759 -15.386 3.850 69 HG13 ILE 10 1HG1 ILE 10 -3.812 -15.450 5.340 70 HG21 ILE 10 1HG2 ILE 10 -1.947 -14.046 2.131 71 HG22 ILE 10 2HG2 ILE 10 -3.654 -14.453 1.974 72 HG23 ILE 10 3HG2 ILE 10 -2.426 -15.580 1.404 73 HD11 ILE 10 1HD1 ILE 10 -4.446 -13.121 3.598 74 HD12 ILE 10 2HD1 ILE 10 -2.834 -13.156 4.316 75 HD13 ILE 10 3HD1 ILE 10 -4.265 -13.197 5.351 76 H GLN 11 HN GLN 11 -1.314 -19.014 4.284 77 HA GLN 11 HA GLN 11 0.744 -19.962 3.860 78 HB2 GLN 11 2HB GLN 11 -0.356 -19.439 1.366 79 HB3 GLN 11 1HB GLN 11 1.233 -18.678 1.280 80 HG2 GLN 11 2HG GLN 11 2.229 -20.814 2.156 81 HG3 GLN 11 1HG GLN 11 0.635 -21.555 2.017 82 HE21 GLN 11 1HE2 GLN 11 0.879 -19.299 -0.456 83 HE22 GLN 11 2HE2 GLN 11 1.420 -20.326 -1.694 84 H ASP 12 HN ASP 12 2.857 -19.399 4.321 85 HA ASP 12 HA ASP 12 4.437 -17.983 5.246 86 HB2 ASP 12 2HB ASP 12 5.275 -16.294 3.588 87 HB3 ASP 12 1HB ASP 12 5.144 -17.930 2.946 88 H VAL 13 HN VAL 13 4.014 -15.056 3.872 89 HA VAL 13 HA VAL 13 3.261 -13.010 4.584 90 HB VAL 13 HB VAL 13 1.006 -14.712 5.663 91 HG11 VAL 13 1HG1 VAL 13 -0.194 -12.459 5.760 92 HG12 VAL 13 2HG1 VAL 13 1.401 -11.716 5.663 93 HG13 VAL 13 3HG1 VAL 13 0.994 -12.755 7.029 94 HG21 VAL 13 1HG2 VAL 13 0.114 -12.975 3.664 95 HG22 VAL 13 2HG2 VAL 13 0.429 -14.694 3.475 96 HG23 VAL 13 3HG2 VAL 13 1.678 -13.527 3.072 97 H SER 14 HN SER 14 2.818 -15.365 7.240 98 HA SER 14 HA SER 14 3.165 -13.599 9.363 99 HB2 SER 14 2HB SER 14 4.195 -16.431 9.383 100 HB3 SER 14 1HB SER 14 3.534 -15.498 10.724 101 HG SER 14 HG SER 14 1.521 -15.554 9.686 102 H GLY 15 HN GLY 15 4.804 -12.100 8.872 103 HA2 GLY 15 2HA GLY 15 7.219 -12.247 9.998 104 HA3 GLY 15 1HA GLY 15 7.532 -13.056 8.465 105 H THR 16 HN THR 16 9.062 -11.245 8.155 106 HA THR 16 HA THR 16 7.807 -8.672 7.555 107 HB THR 16 HB THR 16 10.737 -9.179 7.241 108 HG1 THR 16 1HG THR 16 11.004 -8.968 9.413 109 HG21 THR 16 1HG2 THR 16 9.716 -7.005 6.612 110 HG22 THR 16 2HG2 THR 16 10.839 -6.839 7.962 111 HG23 THR 16 3HG2 THR 16 9.100 -6.838 8.256 112 H TRP 17 HN TRP 17 8.240 -7.534 5.591 113 HA TRP 17 HA TRP 17 9.069 -9.143 3.292 114 HB2 TRP 17 2HB TRP 17 6.364 -7.826 3.592 115 HB3 TRP 17 1HB TRP 17 7.046 -8.250 2.023 116 HD1 TRP 17 1HD TRP 17 6.222 -9.997 5.385 117 HE1 TRP 17 1HE TRP 17 5.487 -12.395 4.896 118 HE3 TRP 17 3HE TRP 17 6.889 -10.094 0.324 119 HZ2 TRP 17 2HZ TRP 17 5.207 -14.145 2.655 120 HZ3 TRP 17 3HZ TRP 17 6.362 -12.145 -0.965 121 HH2 TRP 17 2HH TRP 17 5.529 -14.171 0.195 122 H TYR 18 HN TYR 18 8.690 -7.466 1.259 123 HA TYR 18 HA TYR 18 9.677 -4.818 2.106 124 HB2 TYR 18 2HB TYR 18 10.874 -6.368 -0.198 125 HB3 TYR 18 1HB TYR 18 11.446 -4.850 0.492 126 HD1 TYR 18 1HD TYR 18 11.912 -8.348 0.492 127 HD2 TYR 18 2HD TYR 18 11.928 -4.940 3.110 128 HE1 TYR 18 1HE TYR 18 13.313 -9.597 2.113 129 HE2 TYR 18 2HE TYR 18 13.330 -6.190 4.729 130 HH TYR 18 HH TYR 18 13.666 -9.389 4.782 131 H LEU 19 HN LEU 19 9.458 -3.203 0.326 132 HA LEU 19 HA LEU 19 7.127 -3.845 -1.370 133 HB2 LEU 19 2HB LEU 19 7.355 -1.873 0.495 134 HB3 LEU 19 1HB LEU 19 7.901 -1.020 -0.948 135 HG LEU 19 HG LEU 19 5.771 -2.123 -2.040 136 HD11 LEU 19 1HD1 LEU 19 4.875 -1.918 0.841 137 HD12 LEU 19 2HD1 LEU 19 5.373 -3.449 0.120 138 HD13 LEU 19 3HD1 LEU 19 3.981 -2.581 -0.525 139 HD21 LEU 19 1HD2 LEU 19 6.081 0.288 -1.791 140 HD22 LEU 19 2HD2 LEU 19 5.665 0.191 -0.079 141 HD23 LEU 19 3HD2 LEU 19 4.440 -0.140 -1.304 142 H LYS 20 HN LYS 20 7.493 -3.961 -3.479 143 HA LYS 20 HA LYS 20 10.023 -2.871 -4.535 144 HB2 LYS 20 2HB LYS 20 8.283 -4.947 -5.853 145 HB3 LYS 20 1HB LYS 20 9.983 -4.591 -6.160 146 HG2 LYS 20 2HG LYS 20 10.563 -5.370 -3.886 147 HG3 LYS 20 1HG LYS 20 8.866 -5.739 -3.572 148 HD2 LYS 20 2HD LYS 20 9.342 -7.802 -4.372 149 HD3 LYS 20 1HD LYS 20 9.328 -7.043 -5.964 150 HE2 LYS 20 2HE LYS 20 11.768 -6.543 -5.688 151 HE3 LYS 20 1HE LYS 20 11.743 -7.464 -4.183 152 HZ1 LYS 20 1HZ LYS 20 12.409 -8.997 -5.777 153 HZ2 LYS 20 2HZ LYS 20 11.313 -8.425 -6.943 154 HZ3 LYS 20 3HZ LYS 20 10.752 -9.315 -5.608 155 H ALA 21 HN ALA 21 6.675 -2.345 -4.592 156 HA ALA 21 HA ALA 21 6.929 -0.253 -6.558 157 HB1 ALA 21 1HB ALA 21 6.494 -2.703 -7.675 158 HB2 ALA 21 2HB ALA 21 5.952 -1.179 -8.381 159 HB3 ALA 21 3HB ALA 21 4.841 -2.148 -7.415 160 H MET 22 HN MET 22 5.357 1.256 -6.302 161 HA MET 22 HA MET 22 2.994 0.547 -4.709 162 HB2 MET 22 2HB MET 22 4.463 1.423 -3.062 163 HB3 MET 22 1HB MET 22 5.006 2.718 -4.126 164 HG2 MET 22 2HG MET 22 3.167 4.002 -3.721 165 HG3 MET 22 1HG MET 22 2.087 2.615 -3.586 166 HE1 MET 22 1HE MET 22 1.910 5.141 -1.779 167 HE2 MET 22 2HE MET 22 3.644 5.428 -1.907 168 HE3 MET 22 3HE MET 22 2.913 5.188 -0.323 169 H THR 23 HN THR 23 1.417 0.917 -6.107 170 HA THR 23 HA THR 23 1.514 2.994 -8.102 171 HB THR 23 HB THR 23 -0.155 0.689 -7.451 172 HG1 THR 23 1HG THR 23 0.407 2.157 -9.805 173 HG21 THR 23 1HG2 THR 23 -1.909 2.311 -7.076 174 HG22 THR 23 2HG2 THR 23 -2.152 1.577 -8.651 175 HG23 THR 23 3HG2 THR 23 -1.462 3.196 -8.536 176 H VAL 24 HN VAL 24 0.852 5.056 -7.893 177 HA VAL 24 HA VAL 24 -1.099 5.677 -5.764 178 HB VAL 24 HB VAL 24 0.807 7.816 -6.010 179 HG11 VAL 24 1HG1 VAL 24 0.955 7.453 -3.567 180 HG12 VAL 24 2HG1 VAL 24 0.097 5.924 -3.748 181 HG13 VAL 24 3HG1 VAL 24 -0.721 7.441 -4.115 182 HG21 VAL 24 1HG2 VAL 24 2.751 6.614 -5.010 183 HG22 VAL 24 2HG2 VAL 24 2.416 6.087 -6.658 184 HG23 VAL 24 3HG2 VAL 24 1.921 5.089 -5.298 185 H ASP 25 HN ASP 25 -2.783 6.364 -6.892 186 HA ASP 25 HA ASP 25 -3.299 7.213 -9.305 187 HB2 ASP 25 2HB ASP 25 -4.175 8.534 -6.752 188 HB3 ASP 25 1HB ASP 25 -4.791 9.060 -8.319 189 H ARG 26 HN ARG 26 -3.360 10.170 -7.617 190 HA ARG 26 HA ARG 26 -0.938 11.367 -8.276 191 HB2 ARG 26 2HB ARG 26 -1.762 12.758 -10.272 192 HB3 ARG 26 1HB ARG 26 -1.257 11.106 -10.597 193 HG2 ARG 26 2HG ARG 26 -3.730 10.458 -10.351 194 HG3 ARG 26 1HG ARG 26 -4.075 12.186 -10.404 195 HD2 ARG 26 2HD ARG 26 -2.836 12.310 -12.568 196 HD3 ARG 26 1HD ARG 26 -2.647 10.557 -12.517 197 HE ARG 26 HE ARG 26 -5.390 11.243 -12.233 198 HH11 ARG 26 1HH1 ARG 26 -6.749 10.949 -14.030 199 HH12 ARG 26 2HH1 ARG 26 -6.062 10.817 -15.614 200 HH21 ARG 26 1HH2 ARG 26 -2.792 11.162 -14.514 201 HH22 ARG 26 2HH2 ARG 26 -3.822 10.937 -15.889 202 H GLU 27 HN GLU 27 -3.435 11.290 -6.542 203 HA GLU 27 HA GLU 27 -3.998 14.193 -6.464 204 HB2 GLU 27 2HB GLU 27 -5.565 11.776 -5.588 205 HB3 GLU 27 1HB GLU 27 -5.898 13.362 -4.894 206 HG2 GLU 27 2HG GLU 27 -7.245 12.660 -6.988 207 HG3 GLU 27 1HG GLU 27 -6.534 14.274 -6.973 208 H PHE 28 HN PHE 28 -1.552 13.461 -5.510 209 HA PHE 28 HA PHE 28 -1.826 14.082 -2.673 210 HB2 PHE 28 2HB PHE 28 -0.935 11.466 -3.710 211 HB3 PHE 28 1HB PHE 28 0.107 12.178 -2.478 212 HD1 PHE 28 1HD PHE 28 -3.151 10.687 -3.175 213 HD2 PHE 28 2HD PHE 28 -0.813 12.787 -0.247 214 HE1 PHE 28 1HE PHE 28 -4.770 10.033 -1.411 215 HE2 PHE 28 2HE PHE 28 -2.432 12.133 1.515 216 HZ PHE 28 HZ PHE 28 -4.409 10.757 0.933 217 HA PRO 29 HA PRO 29 1.783 16.132 -4.696 218 HB2 PRO 29 2HB PRO 29 1.132 18.694 -4.041 219 HB3 PRO 29 1HB PRO 29 0.491 17.879 -5.478 220 HG2 PRO 29 2HG PRO 29 -0.826 18.483 -2.906 221 HG3 PRO 29 1HG PRO 29 -1.515 18.351 -4.530 222 HD2 PRO 29 2HD PRO 29 -1.632 16.383 -2.519 223 HD3 PRO 29 1HD PRO 29 -2.010 16.141 -4.239 224 H GLU 30 HN GLU 30 3.560 17.342 -3.654 225 HA GLU 30 HA GLU 30 5.090 17.355 -1.912 226 HB2 GLU 30 2HB GLU 30 2.717 18.789 -0.690 227 HB3 GLU 30 1HB GLU 30 4.381 18.891 -0.112 228 HG2 GLU 30 2HG GLU 30 4.222 19.398 -2.971 229 HG3 GLU 30 1HG GLU 30 3.199 20.511 -2.065 230 H MET 31 HN MET 31 3.651 14.906 -2.018 231 HA MET 31 HA MET 31 3.983 13.993 0.710 232 HB2 MET 31 2HB MET 31 1.346 13.712 -0.779 233 HB3 MET 31 1HB MET 31 1.783 12.753 0.630 234 HG2 MET 31 2HG MET 31 2.245 15.293 1.547 235 HG3 MET 31 1HG MET 31 0.891 15.560 0.466 236 HE1 MET 31 1HE MET 31 2.463 13.619 3.130 237 HE2 MET 31 2HE MET 31 1.500 12.167 2.880 238 HE3 MET 31 3HE MET 31 1.195 13.185 4.284 239 H ASN 32 HN ASN 32 5.796 13.314 -0.950 240 HA ASN 32 HA ASN 32 4.917 10.915 -2.443 241 HB2 ASN 32 2HB ASN 32 7.374 12.620 -2.857 242 HB3 ASN 32 1HB ASN 32 6.881 11.247 -3.846 243 HD21 ASN 32 1HD2 ASN 32 4.121 11.705 -4.123 244 HD22 ASN 32 2HD2 ASN 32 3.873 13.172 -4.942 245 H LEU 33 HN LEU 33 5.776 8.986 -2.082 246 HA LEU 33 HA LEU 33 7.255 8.494 0.299 247 HB2 LEU 33 2HB LEU 33 5.622 7.007 -1.325 248 HB3 LEU 33 1HB LEU 33 7.211 6.376 -1.752 249 HG LEU 33 HG LEU 33 6.124 6.613 1.071 250 HD11 LEU 33 1HD1 LEU 33 6.719 3.935 0.245 251 HD12 LEU 33 2HD1 LEU 33 5.660 4.668 -0.961 252 HD13 LEU 33 3HD1 LEU 33 5.164 4.611 0.730 253 HD21 LEU 33 1HD2 LEU 33 8.222 4.867 1.152 254 HD22 LEU 33 2HD2 LEU 33 8.359 6.585 1.531 255 HD23 LEU 33 3HD2 LEU 33 8.784 5.999 -0.078 256 H GLU 34 HN GLU 34 9.352 8.822 0.524 257 HA GLU 34 HA GLU 34 11.107 8.863 -1.822 258 HB2 GLU 34 2HB GLU 34 11.263 9.922 0.968 259 HB3 GLU 34 1HB GLU 34 12.765 9.578 0.111 260 HG2 GLU 34 2HG GLU 34 12.052 11.011 -1.753 261 HG3 GLU 34 1HG GLU 34 10.524 11.332 -0.936 262 H SER 35 HN SER 35 10.342 6.973 0.985 263 HA SER 35 HA SER 35 11.859 4.738 0.072 264 HB2 SER 35 2HB SER 35 13.578 4.631 1.724 265 HB3 SER 35 1HB SER 35 13.664 6.246 1.028 266 HG SER 35 HG SER 35 12.928 5.417 3.561 267 H VAL 36 HN VAL 36 11.437 2.866 1.288 268 HA VAL 36 HA VAL 36 9.378 3.178 3.376 269 HB VAL 36 HB VAL 36 8.516 2.353 1.167 270 HG11 VAL 36 1HG1 VAL 36 10.804 0.905 1.060 271 HG12 VAL 36 2HG1 VAL 36 9.347 0.468 0.168 272 HG13 VAL 36 3HG1 VAL 36 9.707 -0.315 1.708 273 HG21 VAL 36 1HG2 VAL 36 7.450 1.821 3.377 274 HG22 VAL 36 2HG2 VAL 36 8.396 0.333 3.431 275 HG23 VAL 36 3HG2 VAL 36 7.190 0.565 2.166 276 H THR 37 HN THR 37 9.353 1.615 5.026 277 HA THR 37 HA THR 37 11.997 0.401 5.471 278 HB THR 37 HB THR 37 11.360 0.343 7.822 279 HG1 THR 37 1HG THR 37 9.256 -0.087 7.854 280 HG21 THR 37 1HG2 THR 37 11.312 2.671 8.249 281 HG22 THR 37 2HG2 THR 37 10.425 3.004 6.762 282 HG23 THR 37 3HG2 THR 37 12.114 2.518 6.689 283 HA PRO 38 HA PRO 38 10.769 -3.839 4.846 284 HB2 PRO 38 2HB PRO 38 11.352 -4.117 7.783 285 HB3 PRO 38 1HB PRO 38 11.815 -5.184 6.445 286 HG2 PRO 38 2HG PRO 38 13.534 -3.442 7.521 287 HG3 PRO 38 1HG PRO 38 13.553 -3.843 5.796 288 HD2 PRO 38 2HD PRO 38 12.757 -1.325 7.101 289 HD3 PRO 38 1HD PRO 38 13.183 -1.622 5.405 290 H MET 39 HN MET 39 8.666 -4.476 4.691 291 HA MET 39 HA MET 39 6.688 -3.401 6.469 292 HB2 MET 39 2HB MET 39 6.368 -3.666 4.002 293 HB3 MET 39 1HB MET 39 6.368 -5.414 4.233 294 HG2 MET 39 2HG MET 39 4.202 -5.347 4.774 295 HG3 MET 39 1HG MET 39 4.536 -4.240 6.102 296 HE1 MET 39 1HE MET 39 3.262 -3.313 1.805 297 HE2 MET 39 2HE MET 39 3.083 -4.832 2.678 298 HE3 MET 39 3HE MET 39 4.689 -4.279 2.208 299 H THR 40 HN THR 40 5.721 -4.379 8.147 300 HA THR 40 HA THR 40 6.577 -7.132 8.728 301 HB THR 40 HB THR 40 5.501 -5.148 10.722 302 HG1 THR 40 1HG THR 40 7.300 -4.160 10.131 303 HG21 THR 40 1HG2 THR 40 7.343 -7.509 11.105 304 HG22 THR 40 2HG2 THR 40 5.589 -7.645 11.215 305 HG23 THR 40 3HG2 THR 40 6.466 -6.612 12.343 306 H LEU 41 HN LEU 41 5.072 -8.572 8.182 307 HA LEU 41 HA LEU 41 2.214 -7.909 8.523 308 HB2 LEU 41 2HB LEU 41 3.605 -10.206 7.101 309 HB3 LEU 41 1HB LEU 41 1.860 -10.026 7.222 310 HG LEU 41 HG LEU 41 2.675 -9.182 5.060 311 HD11 LEU 41 1HD1 LEU 41 0.858 -7.983 6.610 312 HD12 LEU 41 2HD1 LEU 41 1.338 -7.310 5.049 313 HD13 LEU 41 3HD1 LEU 41 2.040 -6.675 6.537 314 HD21 LEU 41 1HD2 LEU 41 4.066 -6.913 6.409 315 HD22 LEU 41 2HD2 LEU 41 4.375 -7.643 4.832 316 HD23 LEU 41 3HD2 LEU 41 4.915 -8.444 6.297 317 H THR 42 HN THR 42 1.522 -8.386 10.555 318 HA THR 42 HA THR 42 2.603 -10.777 11.868 319 HB THR 42 HB THR 42 2.451 -9.678 13.828 320 HG1 THR 42 1HG THR 42 0.491 -8.037 13.852 321 HG21 THR 42 1HG2 THR 42 3.414 -8.023 12.167 322 HG22 THR 42 2HG2 THR 42 2.744 -7.313 13.639 323 HG23 THR 42 3HG2 THR 42 1.824 -7.257 12.134 324 H THR 43 HN THR 43 1.400 -12.237 10.677 325 HA THR 43 HA THR 43 -1.359 -12.292 10.283 326 HB THR 43 HB THR 43 0.302 -14.729 10.900 327 HG1 THR 43 1HG THR 43 0.741 -14.693 8.658 328 HG21 THR 43 1HG2 THR 43 -2.201 -14.938 10.691 329 HG22 THR 43 2HG2 THR 43 -1.298 -15.861 9.489 330 HG23 THR 43 3HG2 THR 43 -2.053 -14.330 9.040 331 H LEU 44 HN LEU 44 -2.821 -11.905 11.840 332 HA LEU 44 HA LEU 44 -2.342 -12.815 14.550 333 HB2 LEU 44 2HB LEU 44 -4.804 -11.458 13.461 334 HB3 LEU 44 1HB LEU 44 -4.310 -11.571 15.146 335 HG LEU 44 HG LEU 44 -2.825 -10.110 12.940 336 HD11 LEU 44 1HD1 LEU 44 -4.205 -8.410 13.468 337 HD12 LEU 44 2HD1 LEU 44 -3.483 -8.400 15.076 338 HD13 LEU 44 3HD1 LEU 44 -4.940 -9.343 14.769 339 HD21 LEU 44 1HD2 LEU 44 -2.195 -10.725 15.823 340 HD22 LEU 44 2HD2 LEU 44 -1.562 -9.261 15.071 341 HD23 LEU 44 3HD2 LEU 44 -1.139 -10.842 14.415 342 H GLU 45 HN GLU 45 -2.563 -14.844 14.898 343 HA GLU 45 HA GLU 45 -4.471 -16.529 13.528 344 HB2 GLU 45 2HB GLU 45 -2.808 -17.196 15.967 345 HB3 GLU 45 1HB GLU 45 -3.557 -18.331 14.842 346 HG2 GLU 45 2HG GLU 45 -2.147 -17.078 13.033 347 HG3 GLU 45 1HG GLU 45 -1.189 -16.527 14.405 348 H GLY 46 HN GLY 46 -5.432 -14.246 15.131 349 HA2 GLY 46 2HA GLY 46 -7.306 -15.743 16.844 350 HA3 GLY 46 1HA GLY 46 -6.522 -14.287 17.445 351 H GLY 47 HN GLY 47 -6.630 -12.877 14.862 352 HA2 GLY 47 2HA GLY 47 -9.560 -12.492 14.610 353 HA3 GLY 47 1HA GLY 47 -8.475 -11.127 14.834 354 H ASN 48 HN ASN 48 -6.391 -11.778 13.174 355 HA ASN 48 HA ASN 48 -6.998 -12.709 10.615 356 HB2 ASN 48 2HB ASN 48 -7.187 -10.637 9.373 357 HB3 ASN 48 1HB ASN 48 -8.576 -10.874 10.417 358 HD21 ASN 48 1HD2 ASN 48 -8.297 -9.765 12.696 359 HD22 ASN 48 2HD2 ASN 48 -7.557 -8.238 12.699 360 H LEU 49 HN LEU 49 -5.661 -9.772 9.803 361 HA LEU 49 HA LEU 49 -2.938 -10.618 10.586 362 HB2 LEU 49 2HB LEU 49 -3.011 -11.566 8.463 363 HB3 LEU 49 1HB LEU 49 -4.081 -10.328 7.832 364 HG LEU 49 HG LEU 49 -2.175 -8.711 7.833 365 HD11 LEU 49 1HD1 LEU 49 0.006 -9.302 8.435 366 HD12 LEU 49 2HD1 LEU 49 -0.326 -11.027 8.318 367 HD13 LEU 49 3HD1 LEU 49 -0.934 -10.102 9.679 368 HD21 LEU 49 1HD2 LEU 49 -0.742 -10.234 6.172 369 HD22 LEU 49 2HD2 LEU 49 -2.333 -9.625 5.728 370 HD23 LEU 49 3HD2 LEU 49 -2.155 -11.277 6.317 371 H GLU 50 HN GLU 50 -1.463 -8.985 10.872 372 HA GLU 50 HA GLU 50 -2.515 -6.246 10.623 373 HB2 GLU 50 2HB GLU 50 -2.184 -7.212 12.994 374 HB3 GLU 50 1HB GLU 50 -0.460 -7.069 12.651 375 HG2 GLU 50 2HG GLU 50 -0.731 -4.677 12.170 376 HG3 GLU 50 1HG GLU 50 -2.464 -4.803 12.473 377 H ALA 51 HN ALA 51 -1.337 -4.863 9.484 378 HA ALA 51 HA ALA 51 1.371 -5.729 8.687 379 HB1 ALA 51 1HB ALA 51 -0.112 -5.820 6.789 380 HB2 ALA 51 2HB ALA 51 0.986 -4.454 6.589 381 HB3 ALA 51 3HB ALA 51 -0.680 -4.179 7.107 382 H LYS 52 HN LYS 52 2.954 -4.506 9.422 383 HA LYS 52 HA LYS 52 2.387 -1.667 10.015 384 HB2 LYS 52 2HB LYS 52 4.539 -2.991 11.539 385 HB3 LYS 52 1HB LYS 52 3.331 -1.822 12.073 386 HG2 LYS 52 2HG LYS 52 1.611 -3.683 11.874 387 HG3 LYS 52 1HG LYS 52 2.961 -4.797 11.659 388 HD2 LYS 52 2HD LYS 52 2.570 -2.958 14.041 389 HD3 LYS 52 1HD LYS 52 2.247 -4.693 14.029 390 HE2 LYS 52 2HE LYS 52 4.718 -4.899 13.210 391 HE3 LYS 52 1HE LYS 52 4.891 -3.264 13.850 392 HZ1 LYS 52 1HZ LYS 52 4.906 -4.033 15.916 393 HZ2 LYS 52 2HZ LYS 52 5.025 -5.603 15.276 394 HZ3 LYS 52 3HZ LYS 52 3.504 -4.955 15.669 395 H VAL 53 HN VAL 53 3.514 -0.346 8.747 396 HA VAL 53 HA VAL 53 6.304 -0.957 8.171 397 HB VAL 53 HB VAL 53 4.926 -1.935 6.302 398 HG11 VAL 53 1HG1 VAL 53 4.299 0.946 5.641 399 HG12 VAL 53 2HG1 VAL 53 3.162 -0.120 6.469 400 HG13 VAL 53 3HG1 VAL 53 3.702 -0.503 4.834 401 HG21 VAL 53 1HG2 VAL 53 6.778 -1.516 5.083 402 HG22 VAL 53 2HG2 VAL 53 7.194 -0.192 6.169 403 HG23 VAL 53 3HG2 VAL 53 6.190 0.113 4.753 404 H THR 54 HN THR 54 7.495 0.890 7.661 405 HA THR 54 HA THR 54 6.082 3.414 8.188 406 HB THR 54 HB THR 54 9.004 2.798 8.604 407 HG1 THR 54 1HG THR 54 7.900 1.756 10.172 408 HG21 THR 54 1HG2 THR 54 8.156 5.039 10.073 409 HG22 THR 54 2HG2 THR 54 7.484 5.246 8.457 410 HG23 THR 54 3HG2 THR 54 9.220 5.028 8.669 411 H MET 55 HN MET 55 6.093 4.936 6.730 412 HA MET 55 HA MET 55 7.705 4.482 4.296 413 HB2 MET 55 2HB MET 55 5.647 6.427 3.915 414 HB3 MET 55 1HB MET 55 5.863 4.887 3.097 415 HG2 MET 55 2HG MET 55 4.813 3.840 5.229 416 HG3 MET 55 1HG MET 55 4.286 5.489 5.597 417 HE1 MET 55 1HE MET 55 3.413 6.990 3.604 418 HE2 MET 55 2HE MET 55 2.368 6.409 2.311 419 HE3 MET 55 3HE MET 55 4.112 6.220 2.174 420 H LEU 56 HN LEU 56 8.794 6.152 3.368 421 HA LEU 56 HA LEU 56 9.349 8.409 5.176 422 HB2 LEU 56 2HB LEU 56 11.302 7.048 4.429 423 HB3 LEU 56 1HB LEU 56 10.919 7.461 2.763 424 HG LEU 56 HG LEU 56 11.173 9.879 3.325 425 HD11 LEU 56 1HD1 LEU 56 10.822 10.184 5.592 426 HD12 LEU 56 2HD1 LEU 56 12.584 10.108 5.580 427 HD13 LEU 56 3HD1 LEU 56 11.644 8.686 6.032 428 HD21 LEU 56 1HD2 LEU 56 13.615 9.841 3.468 429 HD22 LEU 56 2HD2 LEU 56 13.067 8.533 2.418 430 HD23 LEU 56 3HD2 LEU 56 13.580 8.184 4.070 431 H ILE 57 HN ILE 57 7.483 9.557 4.642 432 HA ILE 57 HA ILE 57 7.007 10.295 1.879 433 HB ILE 57 HB ILE 57 5.573 10.928 4.462 434 HG12 ILE 57 2HG1 ILE 57 5.586 8.597 3.169 435 HG13 ILE 57 1HG1 ILE 57 4.107 9.233 3.883 436 HG21 ILE 57 1HG2 ILE 57 5.156 12.805 3.101 437 HG22 ILE 57 2HG2 ILE 57 3.792 11.736 2.785 438 HG23 ILE 57 3HG2 ILE 57 5.120 11.836 1.627 439 HD11 ILE 57 1HD1 ILE 57 3.971 8.403 1.441 440 HD12 ILE 57 2HD1 ILE 57 4.875 9.855 1.023 441 HD13 ILE 57 3HD1 ILE 57 3.289 9.990 1.785 442 H SER 58 HN SER 58 8.036 11.907 1.013 443 HA SER 58 HA SER 58 9.392 13.779 0.824 444 HB2 SER 58 2HB SER 58 7.241 14.935 2.603 445 HB3 SER 58 1HB SER 58 8.231 15.796 1.427 446 HG SER 58 HG SER 58 6.665 13.587 0.653 447 H GLY 59 HN GLY 59 10.645 12.230 2.642 448 HA2 GLY 59 2HA GLY 59 12.357 12.494 4.181 449 HA3 GLY 59 1HA GLY 59 11.891 14.181 4.363 450 H ARG 60 HN ARG 60 9.055 13.012 4.822 451 HA ARG 60 HA ARG 60 9.321 12.881 7.715 452 HB2 ARG 60 2HB ARG 60 7.506 14.125 6.192 453 HB3 ARG 60 1HB ARG 60 6.681 12.576 6.376 454 HG2 ARG 60 2HG ARG 60 5.910 13.709 8.251 455 HG3 ARG 60 1HG ARG 60 7.319 12.881 8.914 456 HD2 ARG 60 2HD ARG 60 7.703 15.049 9.655 457 HD3 ARG 60 1HD ARG 60 8.586 15.061 8.133 458 HE ARG 60 HE ARG 60 5.830 15.893 7.876 459 HH11 ARG 60 1HH1 ARG 60 5.520 18.074 7.316 460 HH12 ARG 60 2HH1 ARG 60 6.835 19.192 7.451 461 HH21 ARG 60 1HH2 ARG 60 9.081 16.819 8.611 462 HH22 ARG 60 2HH2 ARG 60 8.851 18.482 8.185 463 H CYS 61 HN CYS 61 9.385 11.032 8.819 464 HA CYS 61 HA CYS 61 8.835 8.523 7.436 465 HB2 CYS 61 2HB CYS 61 10.603 7.922 8.658 466 HB3 CYS 61 1HB CYS 61 10.507 9.372 9.647 467 H GLN 62 HN GLN 62 6.802 7.901 7.351 468 HA GLN 62 HA GLN 62 5.041 8.431 9.665 469 HB2 GLN 62 2HB GLN 62 4.329 7.746 6.805 470 HB3 GLN 62 1HB GLN 62 3.181 8.100 8.096 471 HG2 GLN 62 2HG GLN 62 5.311 10.119 7.671 472 HG3 GLN 62 1HG GLN 62 4.113 9.980 6.386 473 HE21 GLN 62 1HE2 GLN 62 4.649 11.099 9.647 474 HE22 GLN 62 2HE2 GLN 62 3.075 11.676 9.916 475 H GLU 63 HN GLU 63 4.701 6.784 10.985 476 HA GLU 63 HA GLU 63 5.215 4.047 10.190 477 HB2 GLU 63 2HB GLU 63 5.318 5.416 12.591 478 HB3 GLU 63 1HB GLU 63 3.848 4.456 12.746 479 HG2 GLU 63 2HG GLU 63 5.257 2.476 11.895 480 HG3 GLU 63 1HG GLU 63 6.660 3.492 12.224 481 H VAL 64 HN VAL 64 3.748 2.866 9.141 482 HA VAL 64 HA VAL 64 0.892 3.541 9.482 483 HB VAL 64 HB VAL 64 2.042 1.740 7.358 484 HG11 VAL 64 1HG1 VAL 64 -0.424 3.500 7.537 485 HG12 VAL 64 2HG1 VAL 64 -0.395 1.742 7.676 486 HG13 VAL 64 3HG1 VAL 64 0.022 2.513 6.145 487 HG21 VAL 64 1HG2 VAL 64 1.955 4.758 7.487 488 HG22 VAL 64 2HG2 VAL 64 1.921 3.906 5.943 489 HG23 VAL 64 3HG2 VAL 64 3.304 3.720 7.023 490 H LYS 65 HN LYS 65 -0.585 1.980 10.105 491 HA LYS 65 HA LYS 65 0.335 -0.758 10.591 492 HB2 LYS 65 2HB LYS 65 0.731 0.752 12.660 493 HB3 LYS 65 1HB LYS 65 -1.025 0.720 12.829 494 HG2 LYS 65 2HG LYS 65 -0.529 -1.924 12.432 495 HG3 LYS 65 1HG LYS 65 0.953 -1.444 13.258 496 HD2 LYS 65 2HD LYS 65 -0.483 -1.994 15.036 497 HD3 LYS 65 1HD LYS 65 -0.639 -0.241 14.931 498 HE2 LYS 65 2HE LYS 65 -2.561 -1.022 13.162 499 HE3 LYS 65 1HE LYS 65 -2.621 -2.351 14.320 500 HZ1 LYS 65 1HZ LYS 65 -2.663 0.498 15.131 501 HZ2 LYS 65 2HZ LYS 65 -3.018 -0.863 16.086 502 HZ3 LYS 65 3HZ LYS 65 -4.075 -0.396 14.839 503 H ALA 66 HN ALA 66 -1.126 -1.578 9.156 504 HA ALA 66 HA ALA 66 -3.960 -0.920 9.566 505 HB1 ALA 66 1HB ALA 66 -3.706 -2.497 7.269 506 HB2 ALA 66 2HB ALA 66 -2.325 -1.399 7.229 507 HB3 ALA 66 3HB ALA 66 -3.963 -0.754 7.335 508 H VAL 67 HN VAL 67 -5.448 -2.459 9.890 509 HA VAL 67 HA VAL 67 -4.470 -5.164 10.496 510 HB VAL 67 HB VAL 67 -7.030 -4.207 11.666 511 HG11 VAL 67 1HG1 VAL 67 -6.103 -6.504 11.983 512 HG12 VAL 67 2HG1 VAL 67 -6.282 -5.630 13.505 513 HG13 VAL 67 3HG1 VAL 67 -4.690 -5.793 12.763 514 HG21 VAL 67 1HG2 VAL 67 -5.544 -3.326 13.620 515 HG22 VAL 67 2HG2 VAL 67 -5.795 -2.276 12.224 516 HG23 VAL 67 3HG2 VAL 67 -4.288 -3.179 12.391 517 H LEU 68 HN LEU 68 -5.155 -6.648 9.072 518 HA LEU 68 HA LEU 68 -7.363 -5.915 7.324 519 HB2 LEU 68 2HB LEU 68 -5.610 -8.363 7.234 520 HB3 LEU 68 1HB LEU 68 -6.605 -7.720 5.933 521 HG LEU 68 HG LEU 68 -4.186 -6.377 7.169 522 HD11 LEU 68 1HD1 LEU 68 -4.448 -6.981 4.269 523 HD12 LEU 68 2HD1 LEU 68 -4.222 -8.356 5.345 524 HD13 LEU 68 3HD1 LEU 68 -3.025 -7.062 5.310 525 HD21 LEU 68 1HD2 LEU 68 -4.684 -4.839 5.078 526 HD22 LEU 68 2HD2 LEU 68 -5.534 -4.556 6.596 527 HD23 LEU 68 3HD2 LEU 68 -6.331 -5.430 5.289 528 H GLU 69 HN GLU 69 -9.068 -6.130 8.927 529 HA GLU 69 HA GLU 69 -9.552 -8.574 10.268 530 HB2 GLU 69 2HB GLU 69 -11.624 -6.528 9.466 531 HB3 GLU 69 1HB GLU 69 -11.690 -7.652 10.823 532 HG2 GLU 69 2HG GLU 69 -9.672 -5.412 10.501 533 HG3 GLU 69 1HG GLU 69 -11.074 -5.373 11.567 534 H LYS 70 HN LYS 70 -10.326 -10.436 9.546 535 HA LYS 70 HA LYS 70 -10.903 -10.888 6.803 536 HB2 LYS 70 2HB LYS 70 -10.188 -12.515 8.798 537 HB3 LYS 70 1HB LYS 70 -11.931 -12.771 8.873 538 HG2 LYS 70 2HG LYS 70 -11.959 -13.351 6.477 539 HG3 LYS 70 1HG LYS 70 -10.220 -13.078 6.385 540 HD2 LYS 70 2HD LYS 70 -9.771 -15.115 7.233 541 HD3 LYS 70 1HD LYS 70 -10.892 -14.870 8.573 542 HE2 LYS 70 2HE LYS 70 -12.766 -15.577 7.228 543 HE3 LYS 70 1HE LYS 70 -11.776 -15.603 5.769 544 HZ1 LYS 70 1HZ LYS 70 -10.556 -17.192 7.738 545 HZ2 LYS 70 2HZ LYS 70 -11.179 -17.667 6.230 546 HZ3 LYS 70 3HZ LYS 70 -12.179 -17.662 7.604 547 H THR 71 HN THR 71 -12.788 -11.013 5.703 548 HA THR 71 HA THR 71 -15.240 -10.207 7.152 549 HB THR 71 HB THR 71 -16.020 -9.275 5.043 550 HG1 THR 71 1HG THR 71 -15.121 -9.839 3.234 551 HG21 THR 71 1HG2 THR 71 -14.154 -7.583 4.670 552 HG22 THR 71 2HG2 THR 71 -13.210 -8.495 5.844 553 HG23 THR 71 3HG2 THR 71 -14.724 -7.733 6.332 554 H ASP 72 HN ASP 72 -17.200 -10.863 5.535 555 HA ASP 72 HA ASP 72 -17.278 -13.738 5.679 556 HB2 ASP 72 2HB ASP 72 -19.562 -13.310 4.528 557 HB3 ASP 72 1HB ASP 72 -19.336 -12.731 6.177 558 H GLU 73 HN GLU 73 -15.584 -11.995 3.661 559 HA GLU 73 HA GLU 73 -16.173 -13.717 1.346 560 HB2 GLU 73 2HB GLU 73 -16.216 -10.809 1.509 561 HB3 GLU 73 1HB GLU 73 -15.085 -11.385 0.285 562 HG2 GLU 73 2HG GLU 73 -16.784 -12.605 -0.854 563 HG3 GLU 73 1HG GLU 73 -17.913 -12.429 0.489 564 HA PRO 74 HA PRO 74 -11.787 -14.480 1.719 565 HB2 PRO 74 2HB PRO 74 -11.236 -15.568 -0.703 566 HB3 PRO 74 1HB PRO 74 -12.186 -16.424 0.529 567 HG2 PRO 74 2HG PRO 74 -13.116 -14.945 -1.885 568 HG3 PRO 74 1HG PRO 74 -13.690 -16.479 -1.209 569 HD2 PRO 74 2HD PRO 74 -14.975 -14.079 -0.817 570 HD3 PRO 74 1HD PRO 74 -15.071 -15.448 0.313 571 H GLY 75 HN GLY 75 -9.888 -13.410 1.340 572 HA2 GLY 75 2HA GLY 75 -8.401 -11.864 0.502 573 HA3 GLY 75 1HA GLY 75 -9.223 -12.017 -1.040 574 H LYS 76 HN LYS 76 -11.372 -11.217 1.418 575 HA LYS 76 HA LYS 76 -11.256 -8.356 0.678 576 HB2 LYS 76 2HB LYS 76 -13.296 -9.722 -0.059 577 HB3 LYS 76 1HB LYS 76 -13.707 -9.829 1.652 578 HG2 LYS 76 2HG LYS 76 -13.143 -7.139 1.327 579 HG3 LYS 76 1HG LYS 76 -13.946 -7.557 -0.184 580 HD2 LYS 76 2HD LYS 76 -15.839 -8.505 1.054 581 HD3 LYS 76 1HD LYS 76 -15.030 -8.154 2.583 582 HE2 LYS 76 2HE LYS 76 -15.016 -5.736 1.983 583 HE3 LYS 76 1HE LYS 76 -15.929 -6.119 0.524 584 HZ1 LYS 76 1HZ LYS 76 -16.843 -6.813 3.258 585 HZ2 LYS 76 2HZ LYS 76 -17.737 -6.911 1.816 586 HZ3 LYS 76 3HZ LYS 76 -17.304 -5.394 2.450 587 H TYR 77 HN TYR 77 -10.143 -7.433 2.348 588 HA TYR 77 HA TYR 77 -11.025 -8.131 5.087 589 HB2 TYR 77 2HB TYR 77 -8.399 -6.955 4.157 590 HB3 TYR 77 1HB TYR 77 -8.846 -7.301 5.826 591 HD1 TYR 77 1HD TYR 77 -7.934 -8.777 2.568 592 HD2 TYR 77 2HD TYR 77 -8.989 -9.584 6.644 593 HE1 TYR 77 1HE TYR 77 -7.144 -11.116 2.315 594 HE2 TYR 77 2HE TYR 77 -8.196 -11.917 6.396 595 HH TYR 77 HH TYR 77 -7.774 -13.537 4.688 596 H THR 78 HN THR 78 -11.057 -6.370 6.622 597 HA THR 78 HA THR 78 -11.192 -3.680 5.479 598 HB THR 78 HB THR 78 -13.348 -3.277 6.728 599 HG1 THR 78 1HG THR 78 -13.944 -4.857 7.927 600 HG21 THR 78 1HG2 THR 78 -13.283 -3.536 4.290 601 HG22 THR 78 2HG2 THR 78 -14.755 -4.236 4.962 602 HG23 THR 78 3HG2 THR 78 -13.424 -5.285 4.465 603 H ALA 79 HN ALA 79 -11.540 -2.052 7.263 604 HA ALA 79 HA ALA 79 -9.930 -2.843 9.588 605 HB1 ALA 79 1HB ALA 79 -10.572 -0.192 8.300 606 HB2 ALA 79 2HB ALA 79 -8.991 -0.912 8.604 607 HB3 ALA 79 3HB ALA 79 -9.945 -0.281 9.946 608 H ASP 80 HN ASP 80 -10.649 -2.285 11.679 609 HA ASP 80 HA ASP 80 -13.338 -2.862 12.223 610 HB2 ASP 80 2HB ASP 80 -11.208 -2.952 13.722 611 HB3 ASP 80 1HB ASP 80 -11.671 -1.310 14.156 612 H GLY 81 HN GLY 81 -13.846 -1.016 10.451 613 HA2 GLY 81 2HA GLY 81 -15.625 0.754 11.545 614 HA3 GLY 81 1HA GLY 81 -14.107 1.643 11.463 615 H GLY 82 HN GLY 82 -13.908 -0.548 9.014 616 HA2 GLY 82 2HA GLY 82 -14.449 -0.507 6.753 617 HA3 GLY 82 1HA GLY 82 -15.591 0.797 7.077 618 H LYS 83 HN LYS 83 -12.842 1.719 8.582 619 HA LYS 83 HA LYS 83 -12.222 3.736 6.663 620 HB2 LYS 83 2HB LYS 83 -10.585 2.830 9.044 621 HB3 LYS 83 1HB LYS 83 -10.441 4.369 8.193 622 HG2 LYS 83 2HG LYS 83 -13.189 3.924 8.985 623 HG3 LYS 83 1HG LYS 83 -12.124 3.792 10.383 624 HD2 LYS 83 2HD LYS 83 -11.174 5.972 9.949 625 HD3 LYS 83 1HD LYS 83 -12.029 6.089 8.411 626 HE2 LYS 83 2HE LYS 83 -14.140 6.300 9.470 627 HE3 LYS 83 1HE LYS 83 -13.510 5.737 11.019 628 HZ1 LYS 83 1HZ LYS 83 -13.528 7.972 11.369 629 HZ2 LYS 83 2HZ LYS 83 -13.240 8.358 9.740 630 HZ3 LYS 83 3HZ LYS 83 -11.968 7.812 10.724 631 H HIS 84 HN HIS 84 -12.034 1.019 5.682 632 HA HIS 84 HA HIS 84 -9.872 1.177 3.992 633 HB2 HIS 84 2HB HIS 84 -9.041 0.302 6.605 634 HB3 HIS 84 1HB HIS 84 -8.852 -1.019 5.454 635 HD1 HIS 84 1HD HIS 84 -8.165 2.743 5.431 636 HD2 HIS 84 2HD HIS 84 -6.449 -0.825 4.129 637 HE1 HIS 84 1HE HIS 84 -5.963 3.363 4.343 638 H VAL 85 HN VAL 85 -9.525 -0.817 2.775 639 HA VAL 85 HA VAL 85 -11.260 -3.049 3.216 640 HB VAL 85 HB VAL 85 -11.596 -1.520 0.637 641 HG11 VAL 85 1HG1 VAL 85 -13.461 -3.587 1.747 642 HG12 VAL 85 2HG1 VAL 85 -11.965 -4.097 0.965 643 HG13 VAL 85 3HG1 VAL 85 -13.156 -3.154 0.066 644 HG21 VAL 85 1HG2 VAL 85 -12.628 -0.144 2.362 645 HG22 VAL 85 2HG2 VAL 85 -13.423 -1.558 3.058 646 HG23 VAL 85 3HG2 VAL 85 -13.899 -0.974 1.467 647 H ALA 86 HN ALA 86 -9.110 -3.948 3.281 648 HA ALA 86 HA ALA 86 -7.469 -3.659 0.934 649 HB1 ALA 86 1HB ALA 86 -6.881 -3.888 3.607 650 HB2 ALA 86 2HB ALA 86 -5.733 -4.026 2.274 651 HB3 ALA 86 3HB ALA 86 -6.463 -5.475 2.961 652 H TYR 87 HN TYR 87 -6.672 -5.205 -0.310 653 HA TYR 87 HA TYR 87 -7.910 -7.860 -0.134 654 HB2 TYR 87 2HB TYR 87 -7.475 -6.161 -2.598 655 HB3 TYR 87 1HB TYR 87 -7.801 -7.888 -2.668 656 HD1 TYR 87 1HD TYR 87 -9.158 -4.648 -1.435 657 HD2 TYR 87 2HD TYR 87 -10.004 -8.722 -2.499 658 HE1 TYR 87 1HE TYR 87 -11.583 -4.169 -1.323 659 HE2 TYR 87 2HE TYR 87 -12.438 -8.246 -2.366 660 HH TYR 87 HH TYR 87 -13.699 -5.478 -0.931 661 H ILE 88 HN ILE 88 -6.471 -9.471 -0.193 662 HA ILE 88 HA ILE 88 -3.680 -8.835 -0.907 663 HB ILE 88 HB ILE 88 -4.421 -11.241 0.710 664 HG12 ILE 88 2HG1 ILE 88 -4.210 -8.390 1.729 665 HG13 ILE 88 1HG1 ILE 88 -5.634 -9.428 1.811 666 HG21 ILE 88 1HG2 ILE 88 -2.119 -9.411 1.246 667 HG22 ILE 88 2HG2 ILE 88 -2.062 -10.389 -0.224 668 HG23 ILE 88 3HG2 ILE 88 -2.202 -11.170 1.352 669 HD11 ILE 88 1HD1 ILE 88 -4.864 -10.021 3.854 670 HD12 ILE 88 2HD1 ILE 88 -3.248 -9.388 3.519 671 HD13 ILE 88 3HD1 ILE 88 -3.697 -11.002 2.969 672 H ILE 89 HN ILE 89 -3.063 -9.604 -2.808 673 HA ILE 89 HA ILE 89 -4.322 -12.087 -3.789 674 HB ILE 89 HB ILE 89 -2.903 -10.477 -5.762 675 HG12 ILE 89 2HG1 ILE 89 -3.720 -8.607 -4.380 676 HG13 ILE 89 1HG1 ILE 89 -4.616 -8.685 -5.892 677 HG21 ILE 89 1HG2 ILE 89 -5.798 -11.344 -5.704 678 HG22 ILE 89 2HG2 ILE 89 -4.478 -12.423 -6.139 679 HG23 ILE 89 3HG2 ILE 89 -4.803 -10.989 -7.110 680 HD11 ILE 89 1HD1 ILE 89 -6.527 -8.830 -4.726 681 HD12 ILE 89 2HD1 ILE 89 -5.618 -8.806 -3.217 682 HD13 ILE 89 3HD1 ILE 89 -5.964 -10.335 -4.011 683 H ARG 90 HN ARG 90 -3.008 -13.644 -4.720 684 HA ARG 90 HA ARG 90 -0.198 -13.541 -3.889 685 HB2 ARG 90 2HB ARG 90 -1.377 -15.555 -3.254 686 HB3 ARG 90 1HB ARG 90 -1.936 -15.799 -4.909 687 HG2 ARG 90 2HG ARG 90 0.271 -16.269 -5.691 688 HG3 ARG 90 1HG ARG 90 0.999 -15.688 -4.194 689 HD2 ARG 90 2HD ARG 90 0.668 -17.662 -3.139 690 HD3 ARG 90 1HD ARG 90 -0.970 -17.816 -3.765 691 HE ARG 90 HE ARG 90 1.154 -18.324 -5.692 692 HH11 ARG 90 1HH1 ARG 90 1.182 -20.433 -6.527 693 HH12 ARG 90 2HH1 ARG 90 0.228 -21.670 -5.778 694 HH21 ARG 90 1HH2 ARG 90 -1.059 -19.570 -3.338 695 HH22 ARG 90 2HH2 ARG 90 -1.042 -21.180 -3.973 696 H SER 91 HN SER 91 0.919 -12.356 -5.399 697 HA SER 91 HA SER 91 0.501 -11.955 -8.031 698 HB2 SER 91 2HB SER 91 2.513 -11.306 -6.430 699 HB3 SER 91 1HB SER 91 3.296 -12.650 -7.258 700 HG SER 91 HG SER 91 3.687 -10.997 -8.585 701 H HIS 92 HN HIS 92 1.544 -12.879 -9.957 702 HA HIS 92 HA HIS 92 0.993 -15.693 -10.140 703 HB2 HIS 92 2HB HIS 92 2.127 -13.679 -12.087 704 HB3 HIS 92 1HB HIS 92 1.899 -15.380 -12.494 705 HD1 HIS 92 1HD HIS 92 -0.494 -13.462 -10.303 706 HD2 HIS 92 2HD HIS 92 -0.328 -14.967 -14.187 707 HE1 HIS 92 1HE HIS 92 -2.826 -13.233 -11.258 708 H VAL 93 HN VAL 93 3.572 -13.966 -8.981 709 HA VAL 93 HA VAL 93 5.518 -16.080 -9.685 710 HB VAL 93 HB VAL 93 6.009 -13.236 -8.767 711 HG11 VAL 93 1HG1 VAL 93 8.385 -13.992 -9.625 712 HG12 VAL 93 2HG1 VAL 93 7.779 -15.609 -9.262 713 HG13 VAL 93 3HG1 VAL 93 7.872 -14.395 -7.986 714 HG21 VAL 93 1HG2 VAL 93 6.936 -12.996 -11.080 715 HG22 VAL 93 2HG2 VAL 93 5.202 -13.321 -11.070 716 HG23 VAL 93 3HG2 VAL 93 6.342 -14.614 -11.450 717 H LYS 94 HN LYS 94 7.048 -16.664 -7.975 718 HA LYS 94 HA LYS 94 5.668 -17.143 -5.494 719 HB2 LYS 94 2HB LYS 94 7.355 -18.677 -6.752 720 HB3 LYS 94 1HB LYS 94 8.584 -17.710 -5.936 721 HG2 LYS 94 2HG LYS 94 7.488 -18.211 -3.756 722 HG3 LYS 94 1HG LYS 94 6.339 -19.251 -4.600 723 HD2 LYS 94 2HD LYS 94 7.820 -20.933 -4.357 724 HD3 LYS 94 1HD LYS 94 8.859 -20.085 -5.504 725 HE2 LYS 94 2HE LYS 94 8.864 -19.755 -2.490 726 HE3 LYS 94 1HE LYS 94 10.118 -20.524 -3.463 727 HZ1 LYS 94 1HZ LYS 94 9.280 -17.687 -3.705 728 HZ2 LYS 94 2HZ LYS 94 10.539 -18.440 -4.560 729 HZ3 LYS 94 3HZ LYS 94 10.660 -18.222 -2.879 730 H ASP 95 HN ASP 95 6.509 -16.617 -3.405 731 HA ASP 95 HA ASP 95 7.105 -15.081 -1.818 732 HB2 ASP 95 2HB ASP 95 9.371 -14.497 -1.768 733 HB3 ASP 95 1HB ASP 95 9.345 -15.982 -2.714 734 H HIS 96 HN HIS 96 5.481 -14.137 -4.137 735 HA HIS 96 HA HIS 96 5.972 -11.255 -3.731 736 HB2 HIS 96 2HB HIS 96 5.606 -12.716 -6.332 737 HB3 HIS 96 1HB HIS 96 5.104 -11.034 -6.174 738 HD1 HIS 96 1HD HIS 96 8.191 -13.208 -5.751 739 HD2 HIS 96 2HD HIS 96 7.203 -9.195 -6.270 740 HE1 HIS 96 1HE HIS 96 10.374 -11.970 -6.099 741 H TYR 97 HN TYR 97 4.150 -10.031 -3.427 742 HA TYR 97 HA TYR 97 1.525 -11.286 -3.860 743 HB2 TYR 97 2HB TYR 97 2.713 -10.537 -1.242 744 HB3 TYR 97 1HB TYR 97 1.008 -10.161 -1.495 745 HD1 TYR 97 1HD TYR 97 3.513 -12.894 -1.684 746 HD2 TYR 97 2HD TYR 97 -0.642 -11.860 -1.426 747 HE1 TYR 97 1HE TYR 97 2.943 -15.284 -1.305 748 HE2 TYR 97 2HE TYR 97 -1.219 -14.240 -1.049 749 HH TYR 97 HH TYR 97 -0.404 -16.285 -0.639 750 H ILE 98 HN ILE 98 -0.078 -9.905 -4.399 751 HA ILE 98 HA ILE 98 0.664 -7.100 -4.783 752 HB ILE 98 HB ILE 98 -1.866 -8.432 -5.715 753 HG12 ILE 98 2HG1 ILE 98 -0.049 -9.846 -6.497 754 HG13 ILE 98 1HG1 ILE 98 -0.686 -8.925 -7.851 755 HG21 ILE 98 1HG2 ILE 98 -1.678 -6.708 -7.501 756 HG22 ILE 98 2HG2 ILE 98 -0.250 -6.073 -6.685 757 HG23 ILE 98 3HG2 ILE 98 -1.820 -6.019 -5.882 758 HD11 ILE 98 1HD1 ILE 98 1.548 -8.505 -8.190 759 HD12 ILE 98 2HD1 ILE 98 1.944 -8.739 -6.490 760 HD13 ILE 98 3HD1 ILE 98 1.247 -7.208 -7.030 761 H PHE 99 HN PHE 99 -0.231 -5.524 -3.556 762 HA PHE 99 HA PHE 99 -2.406 -6.330 -1.727 763 HB2 PHE 99 2HB PHE 99 -0.191 -5.982 -0.634 764 HB3 PHE 99 1HB PHE 99 -0.186 -4.335 -1.249 765 HD1 PHE 99 1HD PHE 99 -1.346 -6.543 1.335 766 HD2 PHE 99 2HD PHE 99 -2.080 -2.772 -0.587 767 HE1 PHE 99 1HE PHE 99 -2.677 -5.815 3.294 768 HE2 PHE 99 2HE PHE 99 -3.419 -2.037 1.372 769 HZ PHE 99 HZ PHE 99 -3.708 -3.554 3.318 770 H TYR 100 HN TYR 100 -4.212 -5.149 -1.861 771 HA TYR 100 HA TYR 100 -4.070 -2.457 -3.118 772 HB2 TYR 100 2HB TYR 100 -4.961 -3.865 -4.839 773 HB3 TYR 100 1HB TYR 100 -6.020 -4.698 -3.705 774 HD1 TYR 100 1HD TYR 100 -5.311 -1.288 -5.082 775 HD2 TYR 100 2HD TYR 100 -8.221 -3.952 -3.414 776 HE1 TYR 100 1HE TYR 100 -7.082 0.384 -5.521 777 HE2 TYR 100 2HE TYR 100 -10.000 -2.278 -3.841 778 HH TYR 100 HH TYR 100 -9.726 0.649 -4.177 779 H SER 101 HN SER 101 -5.753 -1.019 -2.414 780 HA SER 101 HA SER 101 -7.578 -1.818 -0.378 781 HB2 SER 101 2HB SER 101 -6.489 -0.397 1.446 782 HB3 SER 101 1HB SER 101 -5.760 -1.966 1.111 783 HG SER 101 HG SER 101 -4.663 -0.269 -0.558 784 H GLU 102 HN GLU 102 -8.797 -0.096 0.570 785 HA GLU 102 HA GLU 102 -8.572 2.521 -0.747 786 HB2 GLU 102 2HB GLU 102 -11.353 1.682 -0.640 787 HB3 GLU 102 1HB GLU 102 -10.437 2.350 -1.990 788 HG2 GLU 102 2HG GLU 102 -9.491 0.129 -2.458 789 HG3 GLU 102 1HG GLU 102 -10.383 -0.549 -1.101 790 H GLY 103 HN GLY 103 -8.202 3.660 1.053 791 HA2 GLY 103 2HA GLY 103 -10.303 3.623 3.137 792 HA3 GLY 103 1HA GLY 103 -8.595 3.672 3.568 793 H GLU 104 HN GLU 104 -8.515 5.683 4.503 794 HA GLU 104 HA GLU 104 -8.481 7.923 2.694 795 HB2 GLU 104 2HB GLU 104 -10.164 9.260 3.826 796 HB3 GLU 104 1HB GLU 104 -10.896 7.766 3.234 797 HG2 GLU 104 2HG GLU 104 -10.391 6.789 5.545 798 HG3 GLU 104 1HG GLU 104 -10.080 8.447 6.056 799 H LEU 105 HN LEU 105 -7.734 9.885 3.715 800 HA LEU 105 HA LEU 105 -6.345 9.433 6.283 801 HB2 LEU 105 2HB LEU 105 -4.881 9.350 4.133 802 HB3 LEU 105 1HB LEU 105 -5.132 11.094 4.089 803 HG LEU 105 HG LEU 105 -4.453 10.885 6.662 804 HD11 LEU 105 1HD1 LEU 105 -3.010 8.577 5.319 805 HD12 LEU 105 2HD1 LEU 105 -4.244 8.421 6.568 806 HD13 LEU 105 3HD1 LEU 105 -2.698 9.179 6.948 807 HD21 LEU 105 1HD2 LEU 105 -2.498 10.828 4.339 808 HD22 LEU 105 2HD2 LEU 105 -2.122 11.391 5.968 809 HD23 LEU 105 3HD2 LEU 105 -3.297 12.263 4.985 810 H HIS 106 HN HIS 106 -7.713 10.620 7.522 811 HA HIS 106 HA HIS 106 -8.688 12.478 8.439 812 HB2 HIS 106 2HB HIS 106 -6.838 14.092 6.675 813 HB3 HIS 106 1HB HIS 106 -7.567 14.579 8.204 814 HD1 HIS 106 1HD HIS 106 -6.974 12.247 10.017 815 HD2 HIS 106 2HD HIS 106 -4.171 13.705 7.298 816 HE1 HIS 106 1HE HIS 106 -4.704 11.517 10.868 817 H GLY 107 HN GLY 107 -9.895 11.263 6.186 818 HA2 GLY 107 2HA GLY 107 -11.899 11.792 5.085 819 HA3 GLY 107 1HA GLY 107 -11.536 13.504 5.282 820 H LYS 108 HN LYS 108 -8.872 11.745 4.168 821 HA LYS 108 HA LYS 108 -9.331 12.718 1.427 822 HB2 LYS 108 2HB LYS 108 -7.361 13.526 2.910 823 HB3 LYS 108 1HB LYS 108 -6.656 11.954 2.540 824 HG2 LYS 108 2HG LYS 108 -5.838 13.189 0.766 825 HG3 LYS 108 1HG LYS 108 -7.341 12.589 0.070 826 HD2 LYS 108 2HD LYS 108 -7.601 14.828 -0.411 827 HD3 LYS 108 1HD LYS 108 -8.307 14.812 1.206 828 HE2 LYS 108 2HE LYS 108 -5.890 15.260 2.037 829 HE3 LYS 108 1HE LYS 108 -5.556 15.718 0.367 830 HZ1 LYS 108 1HZ LYS 108 -7.874 16.845 1.798 831 HZ2 LYS 108 2HZ LYS 108 -7.036 17.472 0.459 832 HZ3 LYS 108 3HZ LYS 108 -6.329 17.514 2.003 833 HA PRO 109 HA PRO 109 -9.916 8.137 0.906 834 HB2 PRO 109 2HB PRO 109 -10.099 9.236 -1.879 835 HB3 PRO 109 1HB PRO 109 -11.074 7.972 -1.100 836 HG2 PRO 109 2HG PRO 109 -12.024 10.425 -1.389 837 HG3 PRO 109 1HG PRO 109 -12.342 9.489 0.083 838 HD2 PRO 109 2HD PRO 109 -10.528 11.818 -0.308 839 HD3 PRO 109 1HD PRO 109 -11.383 11.288 1.158 840 H VAL 110 HN VAL 110 -8.202 6.822 0.825 841 HA VAL 110 HA VAL 110 -6.059 7.416 -1.116 842 HB VAL 110 HB VAL 110 -4.959 8.069 0.820 843 HG11 VAL 110 1HG1 VAL 110 -6.165 7.746 2.714 844 HG12 VAL 110 2HG1 VAL 110 -5.265 6.238 2.843 845 HG13 VAL 110 3HG1 VAL 110 -6.872 6.242 2.120 846 HG21 VAL 110 1HG2 VAL 110 -3.934 6.021 -0.404 847 HG22 VAL 110 2HG2 VAL 110 -4.445 5.104 1.012 848 HG23 VAL 110 3HG2 VAL 110 -3.301 6.434 1.189 849 H ARG 111 HN ARG 111 -5.479 5.764 -2.321 850 HA ARG 111 HA ARG 111 -5.996 3.023 -1.428 851 HB2 ARG 111 2HB ARG 111 -7.156 2.468 -3.525 852 HB3 ARG 111 1HB ARG 111 -8.032 3.728 -2.658 853 HG2 ARG 111 2HG ARG 111 -6.626 5.382 -4.081 854 HG3 ARG 111 1HG ARG 111 -6.308 3.987 -5.113 855 HD2 ARG 111 2HD ARG 111 -8.991 3.746 -4.813 856 HD3 ARG 111 1HD ARG 111 -8.827 5.496 -4.693 857 HE ARG 111 HE ARG 111 -7.330 4.615 -6.909 858 HH11 ARG 111 1HH1 ARG 111 -8.210 4.849 -8.991 859 HH12 ARG 111 2HH1 ARG 111 -9.921 5.030 -9.186 860 HH21 ARG 111 1HH2 ARG 111 -10.594 4.855 -5.788 861 HH22 ARG 111 2HH2 ARG 111 -11.271 5.033 -7.372 862 H GLY 112 HN GLY 112 -5.511 1.840 -3.956 863 HA2 GLY 112 2HA GLY 112 -3.758 2.251 -5.708 864 HA3 GLY 112 1HA GLY 112 -2.679 2.587 -4.364 865 H VAL 113 HN VAL 113 -1.825 0.796 -5.991 866 HA VAL 113 HA VAL 113 -2.376 -1.804 -4.726 867 HB VAL 113 HB VAL 113 -1.137 -1.409 -7.463 868 HG11 VAL 113 1HG1 VAL 113 -1.636 -3.724 -7.789 869 HG12 VAL 113 2HG1 VAL 113 -2.647 -3.767 -6.336 870 HG13 VAL 113 3HG1 VAL 113 -0.899 -3.589 -6.184 871 HG21 VAL 113 1HG2 VAL 113 -3.307 -1.777 -8.463 872 HG22 VAL 113 2HG2 VAL 113 -3.445 -0.404 -7.369 873 HG23 VAL 113 3HG2 VAL 113 -4.050 -1.987 -6.882 874 H LYS 114 HN LYS 114 -0.567 -2.853 -3.848 875 HA LYS 114 HA LYS 114 2.054 -1.556 -4.311 876 HB2 LYS 114 2HB LYS 114 1.485 -2.815 -1.664 877 HB3 LYS 114 1HB LYS 114 2.599 -1.521 -2.074 878 HG2 LYS 114 2HG LYS 114 -0.401 -1.111 -2.231 879 HG3 LYS 114 1HG LYS 114 0.498 -0.872 -0.739 880 HD2 LYS 114 2HD LYS 114 1.976 0.738 -1.878 881 HD3 LYS 114 1HD LYS 114 1.060 0.519 -3.368 882 HE2 LYS 114 2HE LYS 114 0.387 2.544 -1.992 883 HE3 LYS 114 1HE LYS 114 -0.929 1.438 -2.381 884 HZ1 LYS 114 1HZ LYS 114 0.575 1.031 0.104 885 HZ2 LYS 114 2HZ LYS 114 -1.050 0.680 -0.247 886 HZ3 LYS 114 3HZ LYS 114 -0.569 2.282 0.045 887 H LEU 115 HN LEU 115 3.740 -2.895 -4.724 888 HA LEU 115 HA LEU 115 3.151 -5.776 -4.821 889 HB2 LEU 115 2HB LEU 115 3.912 -4.891 -6.946 890 HB3 LEU 115 1HB LEU 115 5.263 -4.070 -6.179 891 HG LEU 115 HG LEU 115 6.311 -6.194 -5.621 892 HD11 LEU 115 1HD1 LEU 115 5.100 -8.276 -6.664 893 HD12 LEU 115 2HD1 LEU 115 3.670 -7.260 -6.540 894 HD13 LEU 115 3HD1 LEU 115 4.582 -7.673 -5.089 895 HD21 LEU 115 1HD2 LEU 115 6.446 -7.206 -7.999 896 HD22 LEU 115 2HD2 LEU 115 6.913 -5.512 -7.815 897 HD23 LEU 115 3HD2 LEU 115 5.328 -5.922 -8.465 898 H VAL 116 HN VAL 116 3.964 -6.987 -3.247 899 HA VAL 116 HA VAL 116 6.410 -6.039 -1.933 900 HB VAL 116 HB VAL 116 5.571 -6.336 0.165 901 HG11 VAL 116 1HG1 VAL 116 3.437 -5.333 0.285 902 HG12 VAL 116 2HG1 VAL 116 2.889 -6.119 -1.197 903 HG13 VAL 116 3HG1 VAL 116 4.056 -4.798 -1.276 904 HG21 VAL 116 1HG2 VAL 116 3.836 -8.476 -1.078 905 HG22 VAL 116 2HG2 VAL 116 3.555 -7.890 0.558 906 HG23 VAL 116 3HG2 VAL 116 5.084 -8.658 0.152 907 H GLY 117 HN GLY 117 7.972 -7.489 -1.472 908 HA2 GLY 117 2HA GLY 117 7.433 -10.331 -1.957 909 HA3 GLY 117 1HA GLY 117 8.669 -9.548 -2.932 910 H ARG 118 HN ARG 118 9.051 -11.740 -1.107 911 HA ARG 118 HA ARG 118 10.378 -10.640 1.240 912 HB2 ARG 118 2HB ARG 118 9.061 -12.824 1.194 913 HB3 ARG 118 1HB ARG 118 10.414 -13.506 0.292 914 HG2 ARG 118 2HG ARG 118 11.947 -12.979 2.113 915 HG3 ARG 118 1HG ARG 118 10.657 -12.167 3.001 916 HD2 ARG 118 2HD ARG 118 9.411 -14.279 3.152 917 HD3 ARG 118 1HD ARG 118 10.669 -15.098 2.231 918 HE ARG 118 HE ARG 118 10.812 -14.284 5.023 919 HH11 ARG 118 1HH1 ARG 118 12.639 -15.038 6.135 920 HH12 ARG 118 2HH1 ARG 118 13.961 -15.728 5.253 921 HH21 ARG 118 1HH2 ARG 118 12.466 -15.297 2.155 922 HH22 ARG 118 2HH2 ARG 118 13.863 -15.874 3.000 923 H ASP 119 HN ASP 119 11.148 -11.342 -1.990 924 HA ASP 119 HA ASP 119 13.972 -11.856 -1.469 925 HB2 ASP 119 2HB ASP 119 12.310 -11.753 -3.981 926 HB3 ASP 119 1HB ASP 119 14.063 -11.940 -4.003 927 HA PRO 120 HA PRO 120 14.619 -7.321 -1.498 928 HB2 PRO 120 2HB PRO 120 17.417 -8.267 -1.963 929 HB3 PRO 120 1HB PRO 120 16.811 -7.048 -0.824 930 HG2 PRO 120 2HG PRO 120 17.520 -9.492 -0.023 931 HG3 PRO 120 1HG PRO 120 16.175 -8.610 0.722 932 HD2 PRO 120 2HD PRO 120 16.098 -10.954 -1.104 933 HD3 PRO 120 1HD PRO 120 14.924 -10.436 0.123 934 H LYS 121 HN LYS 121 16.094 -9.592 -3.789 935 HA LYS 121 HA LYS 121 16.841 -7.829 -5.810 936 HB2 LYS 121 2HB LYS 121 15.877 -10.687 -5.885 937 HB3 LYS 121 1HB LYS 121 16.395 -9.834 -7.340 938 HG2 LYS 121 2HG LYS 121 18.590 -9.895 -6.747 939 HG3 LYS 121 1HG LYS 121 18.237 -9.582 -5.048 940 HD2 LYS 121 2HD LYS 121 17.523 -11.920 -4.753 941 HD3 LYS 121 1HD LYS 121 17.850 -12.240 -6.457 942 HE2 LYS 121 2HE LYS 121 20.159 -12.089 -6.184 943 HE3 LYS 121 1HE LYS 121 20.024 -11.084 -4.741 944 HZ1 LYS 121 1HZ LYS 121 19.738 -13.991 -5.015 945 HZ2 LYS 121 2HZ LYS 121 18.874 -13.195 -3.788 946 HZ3 LYS 121 3HZ LYS 121 20.569 -13.098 -3.838 947 H ASN 122 HN ASN 122 15.496 -8.470 -8.117 948 HA ASN 122 HA ASN 122 12.737 -7.512 -7.650 949 HB2 ASN 122 2HB ASN 122 13.338 -6.374 -10.035 950 HB3 ASN 122 1HB ASN 122 13.500 -5.545 -8.488 951 HD21 ASN 122 1HD2 ASN 122 15.396 -4.309 -8.875 952 HD22 ASN 122 2HD2 ASN 122 16.892 -4.998 -9.282 953 H ASN 123 HN ASN 123 11.201 -8.593 -8.726 954 HA ASN 123 HA ASN 123 12.061 -10.559 -10.759 955 HB2 ASN 123 2HB ASN 123 9.842 -10.526 -8.737 956 HB3 ASN 123 1HB ASN 123 9.695 -11.508 -10.193 957 HD21 ASN 123 1HD2 ASN 123 9.794 -13.412 -8.657 958 HD22 ASN 123 2HD2 ASN 123 11.314 -13.940 -8.117 959 H LEU 124 HN LEU 124 11.927 -9.404 -12.637 960 HA LEU 124 HA LEU 124 10.104 -7.437 -13.316 961 HB2 LEU 124 2HB LEU 124 10.613 -7.993 -15.671 962 HB3 LEU 124 1HB LEU 124 12.074 -7.937 -14.683 963 HG LEU 124 HG LEU 124 11.216 -10.573 -14.433 964 HD11 LEU 124 1HD1 LEU 124 10.854 -11.340 -16.735 965 HD12 LEU 124 2HD1 LEU 124 10.948 -9.679 -17.321 966 HD13 LEU 124 3HD1 LEU 124 9.609 -10.174 -16.287 967 HD21 LEU 124 1HD2 LEU 124 13.537 -9.851 -14.667 968 HD22 LEU 124 2HD2 LEU 124 13.237 -9.325 -16.324 969 HD23 LEU 124 3HD2 LEU 124 13.176 -11.040 -15.917 970 H GLU 125 HN GLU 125 9.707 -10.898 -13.271 971 HA GLU 125 HA GLU 125 7.305 -10.963 -14.815 972 HB2 GLU 125 2HB GLU 125 8.723 -12.861 -12.981 973 HB3 GLU 125 1HB GLU 125 7.054 -13.200 -13.438 974 HG2 GLU 125 2HG GLU 125 7.610 -13.208 -15.778 975 HG3 GLU 125 1HG GLU 125 9.230 -12.590 -15.451 976 H ALA 126 HN ALA 126 8.089 -10.610 -11.416 977 HA ALA 126 HA ALA 126 5.400 -10.761 -10.479 978 HB1 ALA 126 1HB ALA 126 7.584 -11.039 -9.121 979 HB2 ALA 126 2HB ALA 126 6.261 -10.148 -8.368 980 HB3 ALA 126 3HB ALA 126 7.619 -9.276 -9.080 981 H LEU 127 HN LEU 127 7.584 -8.147 -11.470 982 HA LEU 127 HA LEU 127 5.897 -6.021 -10.719 983 HB2 LEU 127 2HB LEU 127 8.344 -6.375 -12.224 984 HB3 LEU 127 1HB LEU 127 7.288 -5.203 -13.013 985 HG LEU 127 HG LEU 127 7.944 -5.116 -10.058 986 HD11 LEU 127 1HD1 LEU 127 9.982 -4.840 -11.486 987 HD12 LEU 127 2HD1 LEU 127 9.565 -3.380 -10.589 988 HD13 LEU 127 3HD1 LEU 127 9.181 -3.499 -12.306 989 HD21 LEU 127 1HD2 LEU 127 6.512 -3.366 -10.000 990 HD22 LEU 127 2HD2 LEU 127 5.988 -3.844 -11.613 991 HD23 LEU 127 3HD2 LEU 127 7.258 -2.636 -11.422 992 H GLU 128 HN GLU 128 6.122 -7.978 -13.661 993 HA GLU 128 HA GLU 128 4.262 -6.454 -15.167 994 HB2 GLU 128 2HB GLU 128 5.897 -8.423 -15.852 995 HB3 GLU 128 1HB GLU 128 4.481 -9.419 -15.513 996 HG2 GLU 128 2HG GLU 128 4.679 -7.127 -17.480 997 HG3 GLU 128 1HG GLU 128 4.401 -8.828 -17.849 998 H ASP 129 HN ASP 129 3.944 -9.275 -13.041 999 HA ASP 129 HA ASP 129 1.180 -9.670 -13.402 1000 HB2 ASP 129 2HB ASP 129 2.939 -11.123 -12.125 1001 HB3 ASP 129 1HB ASP 129 2.497 -10.123 -10.742 1002 H PHE 130 HN PHE 130 3.019 -7.594 -11.213 1003 HA PHE 130 HA PHE 130 0.790 -6.597 -9.775 1004 HB2 PHE 130 2HB PHE 130 2.891 -6.234 -8.787 1005 HB3 PHE 130 1HB PHE 130 3.610 -5.683 -10.298 1006 HD1 PHE 130 1HD PHE 130 1.553 -4.780 -7.420 1007 HD2 PHE 130 2HD PHE 130 3.175 -3.405 -11.148 1008 HE1 PHE 130 1HE PHE 130 1.051 -2.459 -6.784 1009 HE2 PHE 130 2HE PHE 130 2.661 -1.062 -10.502 1010 HZ PHE 130 HZ PHE 130 1.597 -0.588 -8.316 1011 H GLU 131 HN GLU 131 2.631 -5.486 -12.574 1012 HA GLU 131 HA GLU 131 1.198 -3.138 -13.114 1013 HB2 GLU 131 2HB GLU 131 3.422 -4.141 -14.157 1014 HB3 GLU 131 1HB GLU 131 2.301 -4.751 -15.373 1015 HG2 GLU 131 2HG GLU 131 2.997 -2.610 -16.161 1016 HG3 GLU 131 1HG GLU 131 1.375 -2.376 -15.513 1017 H LYS 132 HN LYS 132 0.273 -6.438 -13.439 1018 HA LYS 132 HA LYS 132 -1.734 -5.829 -15.458 1019 HB2 LYS 132 2HB LYS 132 -1.136 -8.338 -13.867 1020 HB3 LYS 132 1HB LYS 132 -2.495 -8.195 -14.976 1021 HG2 LYS 132 2HG LYS 132 0.214 -7.432 -15.978 1022 HG3 LYS 132 1HG LYS 132 -0.149 -9.149 -15.798 1023 HD2 LYS 132 2HD LYS 132 -2.139 -8.907 -17.198 1024 HD3 LYS 132 1HD LYS 132 -1.862 -7.171 -17.319 1025 HE2 LYS 132 2HE LYS 132 0.288 -7.584 -18.452 1026 HE3 LYS 132 1HE LYS 132 0.018 -9.323 -18.329 1027 HZ1 LYS 132 1HZ LYS 132 -0.718 -8.748 -20.451 1028 HZ2 LYS 132 2HZ LYS 132 -1.495 -7.337 -19.914 1029 HZ3 LYS 132 3HZ LYS 132 -2.145 -8.862 -19.542 1030 H ALA 133 HN ALA 133 -1.373 -6.417 -12.014 1031 HA ALA 133 HA ALA 133 -4.112 -6.331 -11.339 1032 HB1 ALA 133 1HB ALA 133 -2.133 -6.957 -9.821 1033 HB2 ALA 133 2HB ALA 133 -3.428 -6.010 -9.088 1034 HB3 ALA 133 3HB ALA 133 -1.928 -5.221 -9.577 1035 H ALA 134 HN ALA 134 -1.673 -3.739 -11.459 1036 HA ALA 134 HA ALA 134 -3.399 -1.643 -10.784 1037 HB1 ALA 134 1HB ALA 134 -1.531 -0.415 -11.110 1038 HB2 ALA 134 2HB ALA 134 -1.470 -0.881 -12.808 1039 HB3 ALA 134 3HB ALA 134 -0.721 -1.907 -11.586 1040 H GLY 135 HN GLY 135 -2.509 -3.092 -13.895 1041 HA2 GLY 135 2HA GLY 135 -4.076 -1.448 -15.516 1042 HA3 GLY 135 1HA GLY 135 -3.664 -3.121 -15.896 1043 H ALA 136 HN ALA 136 -4.839 -4.596 -14.086 1044 HA ALA 136 HA ALA 136 -7.496 -4.800 -14.826 1045 HB1 ALA 136 1HB ALA 136 -6.234 -6.638 -13.785 1046 HB2 ALA 136 2HB ALA 136 -7.744 -6.340 -12.925 1047 HB3 ALA 136 3HB ALA 136 -6.219 -5.761 -12.255 1048 H ARG 137 HN ARG 137 -6.037 -2.633 -12.580 1049 HA ARG 137 HA ARG 137 -8.699 -1.929 -11.503 1050 HB2 ARG 137 2HB ARG 137 -5.943 -1.841 -10.346 1051 HB3 ARG 137 1HB ARG 137 -7.116 -0.628 -9.831 1052 HG2 ARG 137 2HG ARG 137 -8.506 -2.188 -8.835 1053 HG3 ARG 137 1HG ARG 137 -7.994 -3.488 -9.911 1054 HD2 ARG 137 2HD ARG 137 -5.906 -3.732 -8.754 1055 HD3 ARG 137 1HD ARG 137 -6.179 -2.263 -7.823 1056 HE ARG 137 HE ARG 137 -8.277 -3.710 -7.052 1057 HH11 ARG 137 1HH1 ARG 137 -8.314 -5.346 -5.485 1058 HH12 ARG 137 2HH1 ARG 137 -6.887 -6.275 -5.172 1059 HH21 ARG 137 1HH2 ARG 137 -4.960 -4.606 -7.520 1060 HH22 ARG 137 2HH2 ARG 137 -4.992 -5.857 -6.324 1061 H GLY 138 HN GLY 138 -6.640 -1.127 -13.874 1062 HA2 GLY 138 2HA GLY 138 -6.478 0.713 -15.255 1063 HA3 GLY 138 1HA GLY 138 -7.826 1.408 -14.361 1064 H LEU 139 HN LEU 139 -4.752 0.408 -13.002 1065 HA LEU 139 HA LEU 139 -4.107 3.233 -12.451 1066 HB2 LEU 139 2HB LEU 139 -3.361 0.951 -10.626 1067 HB3 LEU 139 1HB LEU 139 -3.344 2.676 -10.284 1068 HG LEU 139 HG LEU 139 -5.901 1.178 -10.905 1069 HD11 LEU 139 1HD1 LEU 139 -4.478 1.635 -8.282 1070 HD12 LEU 139 2HD1 LEU 139 -5.079 0.115 -8.947 1071 HD13 LEU 139 3HD1 LEU 139 -6.215 1.337 -8.374 1072 HD21 LEU 139 1HD2 LEU 139 -5.253 3.841 -9.600 1073 HD22 LEU 139 2HD2 LEU 139 -6.871 3.145 -9.692 1074 HD23 LEU 139 3HD2 LEU 139 -6.024 3.602 -11.168 1075 H SER 140 HN SER 140 -3.316 1.304 -14.599 1076 HA SER 140 HA SER 140 -0.489 0.822 -14.043 1077 HB2 SER 140 2HB SER 140 -0.463 -0.255 -16.242 1078 HB3 SER 140 1HB SER 140 -1.801 -0.867 -15.276 1079 HG SER 140 HG SER 140 -1.970 1.234 -17.183 1080 H THR 141 HN THR 141 -1.624 3.578 -14.236 1081 HA THR 141 HA THR 141 0.413 4.635 -16.034 1082 HB THR 141 HB THR 141 -1.350 6.246 -16.980 1083 HG1 THR 141 1HG THR 141 -2.891 5.246 -15.347 1084 HG21 THR 141 1HG2 THR 141 -1.566 3.327 -17.759 1085 HG22 THR 141 2HG2 THR 141 -0.253 4.392 -18.258 1086 HG23 THR 141 3HG2 THR 141 -1.903 4.718 -18.787 1087 H GLU 142 HN GLU 142 -0.767 4.572 -13.088 1088 HA GLU 142 HA GLU 142 -1.215 7.340 -12.477 1089 HB2 GLU 142 2HB GLU 142 -0.345 5.197 -10.539 1090 HB3 GLU 142 1HB GLU 142 -1.236 6.673 -10.186 1091 HG2 GLU 142 2HG GLU 142 -2.186 4.205 -11.610 1092 HG3 GLU 142 1HG GLU 142 -2.883 4.975 -10.193 1093 H SER 143 HN SER 143 0.590 6.795 -10.022 1094 HA SER 143 HA SER 143 2.885 8.226 -11.129 1095 HB2 SER 143 2HB SER 143 2.099 7.748 -8.261 1096 HB3 SER 143 1HB SER 143 3.429 8.764 -8.805 1097 HG SER 143 HG SER 143 1.901 10.045 -9.900 1098 H ILE 144 HN ILE 144 2.101 5.058 -10.220 1099 HA ILE 144 HA ILE 144 3.470 3.415 -9.170 1100 HB ILE 144 HB ILE 144 3.179 3.595 -11.922 1101 HG12 ILE 144 2HG1 ILE 144 2.357 1.815 -10.472 1102 HG13 ILE 144 1HG1 ILE 144 3.298 1.143 -11.802 1103 HG21 ILE 144 1HG2 ILE 144 5.548 3.976 -12.305 1104 HG22 ILE 144 2HG2 ILE 144 5.139 2.334 -12.773 1105 HG23 ILE 144 3HG2 ILE 144 5.967 2.621 -11.250 1106 HD11 ILE 144 1HD1 ILE 144 4.659 0.144 -10.323 1107 HD12 ILE 144 2HD1 ILE 144 3.747 0.852 -8.990 1108 HD13 ILE 144 3HD1 ILE 144 5.112 1.723 -9.684 1109 H LEU 145 HN LEU 145 4.901 3.667 -7.716 1110 HA LEU 145 HA LEU 145 7.564 4.615 -8.513 1111 HB2 LEU 145 2HB LEU 145 6.417 6.399 -7.287 1112 HB3 LEU 145 1HB LEU 145 6.074 5.288 -5.964 1113 HG LEU 145 HG LEU 145 8.507 5.007 -5.574 1114 HD11 LEU 145 1HD1 LEU 145 9.701 5.371 -7.505 1115 HD12 LEU 145 2HD1 LEU 145 9.820 6.994 -6.825 1116 HD13 LEU 145 3HD1 LEU 145 8.613 6.645 -8.063 1117 HD21 LEU 145 1HD2 LEU 145 8.941 7.348 -4.787 1118 HD22 LEU 145 2HD2 LEU 145 7.351 6.742 -4.325 1119 HD23 LEU 145 3HD2 LEU 145 7.507 7.867 -5.675 1120 H ILE 146 HN ILE 146 9.274 3.632 -7.580 1121 HA ILE 146 HA ILE 146 8.723 1.166 -6.062 1122 HB ILE 146 HB ILE 146 11.150 1.894 -7.715 1123 HG12 ILE 146 2HG1 ILE 146 9.021 -0.168 -8.327 1124 HG13 ILE 146 1HG1 ILE 146 8.937 1.482 -8.944 1125 HG21 ILE 146 1HG2 ILE 146 10.616 -0.163 -5.737 1126 HG22 ILE 146 2HG2 ILE 146 12.120 0.197 -6.588 1127 HG23 ILE 146 3HG2 ILE 146 10.932 -0.886 -7.314 1128 HD11 ILE 146 1HD1 ILE 146 10.174 -0.514 -10.279 1129 HD12 ILE 146 2HD1 ILE 146 11.528 0.075 -9.314 1130 HD13 ILE 146 3HD1 ILE 146 10.676 1.173 -10.400 1131 HA PRO 147 HA PRO 147 10.826 4.203 -3.220 1132 HB2 PRO 147 2HB PRO 147 9.586 3.336 -0.926 1133 HB3 PRO 147 1HB PRO 147 8.964 4.624 -1.975 1134 HG2 PRO 147 2HG PRO 147 8.167 1.775 -1.795 1135 HG3 PRO 147 1HG PRO 147 7.164 3.211 -2.065 1136 HD2 PRO 147 2HD PRO 147 7.876 1.505 -4.059 1137 HD3 PRO 147 1HD PRO 147 7.591 3.237 -4.344 1138 H ARG 148 HN ARG 148 12.786 3.266 -3.384 1139 HA ARG 148 HA ARG 148 13.701 0.769 -2.897 1140 HB2 ARG 148 2HB ARG 148 15.851 1.700 -2.411 1141 HB3 ARG 148 1HB ARG 148 15.071 2.792 -3.556 1142 HG2 ARG 148 2HG ARG 148 14.195 3.864 -1.227 1143 HG3 ARG 148 1HG ARG 148 15.751 3.219 -0.699 1144 HD2 ARG 148 2HD ARG 148 16.016 5.523 -1.506 1145 HD3 ARG 148 1HD ARG 148 16.867 4.400 -2.563 1146 HE ARG 148 HE ARG 148 14.289 4.749 -3.605 1147 HH11 ARG 148 1HH1 ARG 148 13.956 6.210 -5.315 1148 HH12 ARG 148 2HH1 ARG 148 15.096 7.485 -5.590 1149 HH21 ARG 148 1HH2 ARG 148 17.154 6.575 -2.952 1150 HH22 ARG 148 2HH2 ARG 148 16.906 7.692 -4.253 1151 H GLN 149 HN GLN 149 14.873 -0.137 -1.055 1152 HA GLN 149 HA GLN 149 13.248 -0.416 1.203 1153 HB2 GLN 149 2HB GLN 149 16.214 -0.972 1.114 1154 HB3 GLN 149 1HB GLN 149 14.996 -1.764 2.113 1155 HG2 GLN 149 2HG GLN 149 15.230 -1.906 -0.907 1156 HG3 GLN 149 1HG GLN 149 15.515 -3.218 0.234 1157 HE21 GLN 149 1HE2 GLN 149 13.331 -2.562 -1.993 1158 HE22 GLN 149 2HE2 GLN 149 11.882 -2.994 -1.211 1159 H SER 150 HN SER 150 15.488 -0.267 3.177 1160 HA SER 150 HA SER 150 16.316 2.416 3.535 1161 HB2 SER 150 2HB SER 150 14.774 3.331 4.996 1162 HB3 SER 150 1HB SER 150 13.720 2.476 3.877 1163 HG SER 150 HG SER 150 14.239 2.016 6.522 1164 H GLU 151 HN GLU 151 16.168 2.589 6.284 1165 HA GLU 151 HA GLU 151 17.484 0.154 7.269 1166 HB2 GLU 151 2HB GLU 151 19.157 1.954 6.545 1167 HB3 GLU 151 1HB GLU 151 18.520 2.928 7.871 1168 HG2 GLU 151 2HG GLU 151 20.179 1.855 9.033 1169 HG3 GLU 151 1HG GLU 151 18.924 0.632 9.200 1170 H THR 152 HN THR 152 15.581 2.983 7.657 1171 HA THR 152 HA THR 152 13.822 2.293 9.551 1172 HB THR 152 HB THR 152 15.326 1.637 11.257 1173 HG1 THR 152 1HG THR 152 14.852 3.084 12.814 1174 HG21 THR 152 1HG2 THR 152 16.979 3.878 11.754 1175 HG22 THR 152 2HG2 THR 152 17.066 3.594 10.019 1176 HG23 THR 152 3HG2 THR 152 17.484 2.305 11.145 1177 H CYS 153 HN CYS 153 12.464 3.872 9.033 1178 HA CYS 153 HA CYS 153 11.742 5.956 8.348 1179 HB2 CYS 153 2HB CYS 153 12.907 6.247 11.101 1180 HB3 CYS 153 1HB CYS 153 12.181 7.642 10.306 1181 H SER 154 HN SER 154 14.261 5.386 7.144 1182 HA SER 154 HA SER 154 14.976 7.685 5.947 1183 HB2 SER 154 2HB SER 154 17.221 8.074 7.370 1184 HB3 SER 154 1HB SER 154 15.732 8.954 7.697 1185 HG SER 154 HG SER 154 16.507 6.506 8.916 1186 HA PRO 155 HA PRO 155 17.616 4.724 4.019 1187 HB2 PRO 155 2HB PRO 155 19.444 6.338 2.758 1188 HB3 PRO 155 1HB PRO 155 17.778 6.117 2.192 1189 HG2 PRO 155 2HG PRO 155 18.968 8.356 3.751 1190 HG3 PRO 155 1HG PRO 155 17.766 8.396 2.449 1191 HD2 PRO 155 2HD PRO 155 17.097 8.633 5.095 1192 HD3 PRO 155 1HD PRO 155 16.004 7.941 3.877 1193 H GLY 156 HN GLY 156 19.673 7.399 5.204 1194 HA2 GLY 156 2HA GLY 156 21.525 5.394 6.347 1195 HA3 GLY 156 1HA GLY 156 21.998 7.002 5.809 1196 H SER 157 HN SER 157 19.882 8.476 6.960 1197 HA SER 157 HA SER 157 20.863 9.099 9.470 1198 HB2 SER 157 2HB SER 157 17.944 9.437 9.142 1199 HB3 SER 157 1HB SER 157 19.179 10.621 9.562 1200 HG SER 157 HG SER 157 18.279 10.942 7.461 1201 H ASP 158 HN ASP 158 19.420 8.986 11.529 1202 HA ASP 158 HA ASP 158 18.273 6.286 11.841 1203 HB2 ASP 158 2HB ASP 158 19.556 6.834 14.262 1204 HB3 ASP 158 1HB ASP 158 20.055 5.656 13.050 Start of MODEL 16 1 H1 HIS 1 1HT HIS 1 -3.929 -24.168 -7.553 2 H2 HIS 1 2HT HIS 1 -4.863 -24.555 -8.918 3 H3 HIS 1 3HT HIS 1 -5.296 -25.157 -7.390 4 HA HIS 1 HA HIS 1 -6.032 -22.720 -8.614 5 HB2 HIS 1 2HB HIS 1 -7.369 -22.682 -6.349 6 HB3 HIS 1 1HB HIS 1 -7.736 -23.915 -7.555 7 HD1 HIS 1 1HD HIS 1 -8.530 -25.505 -5.590 8 HD2 HIS 1 2HD HIS 1 -4.488 -24.491 -5.489 9 HE1 HIS 1 1HE HIS 1 -7.427 -27.115 -3.976 10 H HIS 2 HN HIS 2 -6.527 -20.898 -6.790 11 HA HIS 2 HA HIS 2 -4.048 -20.341 -5.304 12 HB2 HIS 2 2HB HIS 2 -4.550 -17.869 -6.209 13 HB3 HIS 2 1HB HIS 2 -3.495 -18.990 -7.071 14 HD1 HIS 2 1HD HIS 2 -4.876 -20.579 -8.883 15 HD2 HIS 2 2HD HIS 2 -6.638 -16.967 -7.775 16 HE1 HIS 2 1HE HIS 2 -6.610 -20.055 -10.653 17 H LEU 3 HN LEU 3 -7.356 -19.280 -6.045 18 HA LEU 3 HA LEU 3 -9.019 -18.411 -4.730 19 HB2 LEU 3 2HB LEU 3 -7.619 -20.362 -3.082 20 HB3 LEU 3 1HB LEU 3 -8.330 -19.080 -2.109 21 HG LEU 3 HG LEU 3 -9.883 -21.000 -2.486 22 HD11 LEU 3 1HD1 LEU 3 -11.484 -19.448 -2.224 23 HD12 LEU 3 2HD1 LEU 3 -11.429 -19.090 -3.950 24 HD13 LEU 3 3HD1 LEU 3 -10.383 -18.212 -2.833 25 HD21 LEU 3 1HD2 LEU 3 -8.889 -20.918 -5.070 26 HD22 LEU 3 2HD2 LEU 3 -10.497 -20.219 -5.246 27 HD23 LEU 3 3HD2 LEU 3 -10.307 -21.829 -4.551 28 H LEU 4 HN LEU 4 -9.463 -16.481 -3.853 29 HA LEU 4 HA LEU 4 -7.643 -14.429 -3.665 30 HB2 LEU 4 2HB LEU 4 -10.400 -14.869 -2.965 31 HB3 LEU 4 1HB LEU 4 -9.631 -13.914 -1.708 32 HG LEU 4 HG LEU 4 -9.418 -13.283 -4.660 33 HD11 LEU 4 1HD1 LEU 4 -11.511 -12.712 -2.671 34 HD12 LEU 4 2HD1 LEU 4 -11.573 -12.608 -4.431 35 HD13 LEU 4 3HD1 LEU 4 -10.897 -11.277 -3.492 36 HD21 LEU 4 1HD2 LEU 4 -9.051 -11.129 -2.732 37 HD22 LEU 4 2HD2 LEU 4 -7.986 -11.657 -4.035 38 HD23 LEU 4 3HD2 LEU 4 -7.906 -12.442 -2.458 39 H ALA 5 HN ALA 5 -5.771 -15.114 -2.660 40 HA ALA 5 HA ALA 5 -4.551 -16.103 -0.815 41 HB1 ALA 5 1HB ALA 5 -5.021 -13.307 0.134 42 HB2 ALA 5 2HB ALA 5 -4.280 -13.589 -1.439 43 HB3 ALA 5 3HB ALA 5 -3.512 -14.208 0.007 44 H SER 6 HN SER 6 -6.799 -17.265 -0.050 45 HA SER 6 HA SER 6 -6.749 -16.975 2.794 46 HB2 SER 6 2HB SER 6 -9.041 -16.257 3.148 47 HB3 SER 6 1HB SER 6 -8.181 -15.047 2.200 48 HG SER 6 HG SER 6 -9.091 -16.512 0.378 49 H ASP 7 HN ASP 7 -6.132 -19.203 1.731 50 HA ASP 7 HA ASP 7 -8.390 -20.915 1.130 51 HB2 ASP 7 2HB ASP 7 -5.996 -22.370 1.803 52 HB3 ASP 7 1HB ASP 7 -6.801 -22.225 0.242 53 H GLU 8 HN GLU 8 -5.822 -21.256 3.576 54 HA GLU 8 HA GLU 8 -7.855 -21.770 5.632 55 HB2 GLU 8 2HB GLU 8 -6.300 -23.725 6.374 56 HB3 GLU 8 1HB GLU 8 -7.443 -24.000 5.060 57 HG2 GLU 8 2HG GLU 8 -5.800 -24.128 3.474 58 HG3 GLU 8 1HG GLU 8 -4.793 -22.923 4.274 59 H GLU 9 HN GLU 9 -5.053 -20.304 4.628 60 HA GLU 9 HA GLU 9 -4.534 -18.854 6.923 61 HB2 GLU 9 2HB GLU 9 -3.488 -21.554 7.101 62 HB3 GLU 9 1HB GLU 9 -2.165 -20.399 7.114 63 HG2 GLU 9 2HG GLU 9 -4.608 -20.112 8.868 64 HG3 GLU 9 1HG GLU 9 -3.138 -20.929 9.386 65 H ILE 10 HN ILE 10 -4.658 -18.406 4.200 66 HA ILE 10 HA ILE 10 -3.508 -17.618 2.353 67 HB ILE 10 HB ILE 10 -1.642 -16.214 4.214 68 HG12 ILE 10 2HG1 ILE 10 -4.649 -15.998 4.215 69 HG13 ILE 10 1HG1 ILE 10 -3.542 -15.989 5.588 70 HG21 ILE 10 1HG2 ILE 10 -3.452 -15.056 2.118 71 HG22 ILE 10 2HG2 ILE 10 -1.993 -15.925 1.639 72 HG23 ILE 10 3HG2 ILE 10 -1.872 -14.481 2.647 73 HD11 ILE 10 1HD1 ILE 10 -4.129 -13.718 5.401 74 HD12 ILE 10 2HD1 ILE 10 -4.145 -13.765 3.638 75 HD13 ILE 10 3HD1 ILE 10 -2.612 -13.791 4.507 76 H GLN 11 HN GLN 11 -2.408 -20.110 3.656 77 HA GLN 11 HA GLN 11 -0.602 -21.512 3.416 78 HB2 GLN 11 2HB GLN 11 -1.083 -20.838 1.004 79 HB3 GLN 11 1HB GLN 11 0.252 -19.695 1.163 80 HG2 GLN 11 2HG GLN 11 1.417 -21.528 0.376 81 HG3 GLN 11 1HG GLN 11 1.506 -21.851 2.106 82 HE21 GLN 11 1HE2 GLN 11 0.896 -23.942 2.652 83 HE22 GLN 11 2HE2 GLN 11 -0.190 -24.902 1.769 84 H ASP 12 HN ASP 12 -0.217 -19.789 5.443 85 HA ASP 12 HA ASP 12 1.382 -18.806 6.768 86 HB2 ASP 12 2HB ASP 12 2.655 -20.923 5.299 87 HB3 ASP 12 1HB ASP 12 3.795 -19.599 5.531 88 H VAL 13 HN VAL 13 1.461 -16.655 6.587 89 HA VAL 13 HA VAL 13 3.111 -15.498 4.427 90 HB VAL 13 HB VAL 13 0.515 -15.278 4.197 91 HG11 VAL 13 1HG1 VAL 13 0.464 -14.491 6.687 92 HG12 VAL 13 2HG1 VAL 13 -0.533 -13.636 5.511 93 HG13 VAL 13 3HG1 VAL 13 0.994 -12.938 6.036 94 HG21 VAL 13 1HG2 VAL 13 1.659 -14.000 2.651 95 HG22 VAL 13 2HG2 VAL 13 2.673 -13.236 3.877 96 HG23 VAL 13 3HG2 VAL 13 1.008 -12.699 3.647 97 H SER 14 HN SER 14 3.040 -16.090 7.551 98 HA SER 14 HA SER 14 3.398 -13.499 8.718 99 HB2 SER 14 2HB SER 14 4.588 -15.323 10.430 100 HB3 SER 14 1HB SER 14 2.909 -14.792 10.482 101 HG SER 14 HG SER 14 3.555 -17.182 10.216 102 H GLY 15 HN GLY 15 5.372 -12.878 9.862 103 HA2 GLY 15 2HA GLY 15 7.753 -13.001 10.144 104 HA3 GLY 15 1HA GLY 15 7.858 -13.771 8.564 105 H THR 16 HN THR 16 9.510 -12.101 8.225 106 HA THR 16 HA THR 16 8.528 -9.394 7.835 107 HB THR 16 HB THR 16 11.299 -10.291 7.132 108 HG1 THR 16 1HG THR 16 10.898 -9.315 9.661 109 HG21 THR 16 1HG2 THR 16 10.694 -7.764 8.557 110 HG22 THR 16 2HG2 THR 16 10.042 -7.886 6.922 111 HG23 THR 16 3HG2 THR 16 11.776 -8.058 7.197 112 H TRP 17 HN TRP 17 8.548 -8.294 5.911 113 HA TRP 17 HA TRP 17 8.957 -9.854 3.464 114 HB2 TRP 17 2HB TRP 17 6.465 -8.357 4.270 115 HB3 TRP 17 1HB TRP 17 6.838 -8.713 2.585 116 HD1 TRP 17 1HD TRP 17 6.377 -10.593 5.948 117 HE1 TRP 17 1HE TRP 17 5.458 -12.940 5.421 118 HE3 TRP 17 3HE TRP 17 6.436 -10.453 0.831 119 HZ2 TRP 17 2HZ TRP 17 4.829 -14.549 3.141 120 HZ3 TRP 17 3HZ TRP 17 5.669 -12.405 -0.486 121 HH2 TRP 17 2HH TRP 17 4.868 -14.453 0.661 122 H TYR 18 HN TYR 18 8.695 -8.217 1.516 123 HA TYR 18 HA TYR 18 9.957 -5.662 2.290 124 HB2 TYR 18 2HB TYR 18 10.633 -7.510 -0.006 125 HB3 TYR 18 1HB TYR 18 11.162 -5.828 0.067 126 HD1 TYR 18 1HD TYR 18 11.183 -9.007 2.040 127 HD2 TYR 18 2HD TYR 18 13.106 -5.251 1.251 128 HE1 TYR 18 1HE TYR 18 13.066 -9.663 3.514 129 HE2 TYR 18 2HE TYR 18 14.990 -5.904 2.725 130 HH TYR 18 HH TYR 18 14.937 -8.016 4.944 131 H LEU 19 HN LEU 19 9.441 -3.881 0.882 132 HA LEU 19 HA LEU 19 6.940 -4.293 -0.638 133 HB2 LEU 19 2HB LEU 19 7.031 -2.725 1.456 134 HB3 LEU 19 1HB LEU 19 7.919 -1.636 0.391 135 HG LEU 19 HG LEU 19 5.865 -2.306 -1.239 136 HD11 LEU 19 1HD1 LEU 19 4.968 -3.635 0.820 137 HD12 LEU 19 2HD1 LEU 19 3.845 -2.619 -0.080 138 HD13 LEU 19 3HD1 LEU 19 4.521 -2.047 1.444 139 HD21 LEU 19 1HD2 LEU 19 6.566 -0.021 -0.734 140 HD22 LEU 19 2HD2 LEU 19 5.900 -0.148 0.894 141 HD23 LEU 19 3HD2 LEU 19 4.822 -0.153 -0.500 142 H LYS 20 HN LYS 20 7.223 -4.149 -2.743 143 HA LYS 20 HA LYS 20 9.704 -2.971 -3.749 144 HB2 LYS 20 2HB LYS 20 7.717 -4.731 -5.195 145 HB3 LYS 20 1HB LYS 20 9.365 -4.345 -5.692 146 HG2 LYS 20 2HG LYS 20 10.273 -5.528 -3.747 147 HG3 LYS 20 1HG LYS 20 8.651 -5.838 -3.126 148 HD2 LYS 20 2HD LYS 20 8.928 -7.828 -4.205 149 HD3 LYS 20 1HD LYS 20 8.410 -6.900 -5.610 150 HE2 LYS 20 2HE LYS 20 10.912 -6.332 -5.916 151 HE3 LYS 20 1HE LYS 20 11.206 -7.675 -4.809 152 HZ1 LYS 20 1HZ LYS 20 10.762 -9.134 -6.401 153 HZ2 LYS 20 2HZ LYS 20 10.757 -7.846 -7.511 154 HZ3 LYS 20 3HZ LYS 20 9.303 -8.369 -6.806 155 H ALA 21 HN ALA 21 6.739 -3.346 -5.599 156 HA ALA 21 HA ALA 21 6.932 -0.583 -6.439 157 HB1 ALA 21 1HB ALA 21 5.987 -1.373 -8.290 158 HB2 ALA 21 2HB ALA 21 4.576 -1.925 -7.385 159 HB3 ALA 21 3HB ALA 21 5.984 -2.978 -7.553 160 H MET 22 HN MET 22 5.699 1.072 -5.823 161 HA MET 22 HA MET 22 3.231 0.580 -4.306 162 HB2 MET 22 2HB MET 22 5.139 0.880 -2.703 163 HB3 MET 22 1HB MET 22 5.405 2.480 -3.390 164 HG2 MET 22 2HG MET 22 3.028 3.054 -2.800 165 HG3 MET 22 1HG MET 22 2.910 1.507 -1.969 166 HE1 MET 22 1HE MET 22 3.915 5.241 -0.006 167 HE2 MET 22 2HE MET 22 2.430 4.369 -0.379 168 HE3 MET 22 3HE MET 22 3.402 5.033 -1.686 169 H THR 23 HN THR 23 1.905 1.420 -5.879 170 HA THR 23 HA THR 23 2.467 3.726 -7.436 171 HB THR 23 HB THR 23 0.862 2.112 -8.219 172 HG1 THR 23 1HG THR 23 -0.765 4.268 -7.493 173 HG21 THR 23 1HG2 THR 23 -1.371 2.641 -6.510 174 HG22 THR 23 2HG2 THR 23 -0.003 2.166 -5.506 175 HG23 THR 23 3HG2 THR 23 -0.555 1.109 -6.801 176 H VAL 24 HN VAL 24 2.249 5.906 -6.980 177 HA VAL 24 HA VAL 24 0.341 6.746 -4.949 178 HB VAL 24 HB VAL 24 2.721 8.045 -4.184 179 HG11 VAL 24 1HG1 VAL 24 2.208 7.017 -2.015 180 HG12 VAL 24 2HG1 VAL 24 1.131 5.865 -2.804 181 HG13 VAL 24 3HG1 VAL 24 0.729 7.582 -2.791 182 HG21 VAL 24 1HG2 VAL 24 4.201 6.287 -3.541 183 HG22 VAL 24 2HG2 VAL 24 3.841 6.010 -5.241 184 HG23 VAL 24 3HG2 VAL 24 3.043 5.048 -3.996 185 H ASP 25 HN ASP 25 -0.646 8.230 -6.210 186 HA ASP 25 HA ASP 25 0.047 10.819 -6.442 187 HB2 ASP 25 2HB ASP 25 2.019 10.678 -7.633 188 HB3 ASP 25 1HB ASP 25 1.494 9.249 -8.527 189 H ARG 26 HN ARG 26 -2.191 10.962 -6.389 190 HA ARG 26 HA ARG 26 -3.573 10.275 -8.908 191 HB2 ARG 26 2HB ARG 26 -4.704 10.414 -6.110 192 HB3 ARG 26 1HB ARG 26 -5.594 9.973 -7.567 193 HG2 ARG 26 2HG ARG 26 -3.076 8.463 -6.895 194 HG3 ARG 26 1HG ARG 26 -4.559 8.089 -6.020 195 HD2 ARG 26 2HD ARG 26 -4.827 8.304 -8.965 196 HD3 ARG 26 1HD ARG 26 -3.886 6.935 -8.374 197 HE ARG 26 HE ARG 26 -6.067 6.830 -6.799 198 HH11 ARG 26 1HH1 ARG 26 -8.027 5.811 -7.334 199 HH12 ARG 26 2HH1 ARG 26 -8.490 5.656 -8.995 200 HH21 ARG 26 1HH2 ARG 26 -5.651 7.238 -10.209 201 HH22 ARG 26 2HH2 ARG 26 -7.145 6.464 -10.623 202 H GLU 27 HN GLU 27 -4.705 12.249 -6.191 203 HA GLU 27 HA GLU 27 -4.449 14.682 -7.796 204 HB2 GLU 27 2HB GLU 27 -7.125 13.665 -6.808 205 HB3 GLU 27 1HB GLU 27 -6.837 15.234 -7.560 206 HG2 GLU 27 2HG GLU 27 -5.892 13.963 -9.557 207 HG3 GLU 27 1HG GLU 27 -6.543 12.500 -8.819 208 H PHE 28 HN PHE 28 -4.551 13.057 -4.838 209 HA PHE 28 HA PHE 28 -4.523 15.627 -3.369 210 HB2 PHE 28 2HB PHE 28 -5.377 14.150 -1.419 211 HB3 PHE 28 1HB PHE 28 -6.526 14.621 -2.671 212 HD1 PHE 28 1HD PHE 28 -4.716 11.855 -1.134 213 HD2 PHE 28 2HD PHE 28 -7.126 13.023 -4.491 214 HE1 PHE 28 1HE PHE 28 -5.132 9.469 -1.664 215 HE2 PHE 28 2HE PHE 28 -7.543 10.636 -5.022 216 HZ PHE 28 HZ PHE 28 -6.544 8.860 -3.610 217 HA PRO 29 HA PRO 29 -0.695 12.886 -2.642 218 HB2 PRO 29 2HB PRO 29 1.151 14.500 -3.874 219 HB3 PRO 29 1HB PRO 29 0.310 13.172 -4.694 220 HG2 PRO 29 2HG PRO 29 -0.259 16.095 -4.759 221 HG3 PRO 29 1HG PRO 29 -0.293 14.908 -6.077 222 HD2 PRO 29 2HD PRO 29 -2.566 15.780 -4.859 223 HD3 PRO 29 1HD PRO 29 -2.402 14.134 -5.515 224 H GLU 30 HN GLU 30 0.503 16.143 -3.080 225 HA GLU 30 HA GLU 30 1.336 17.694 -1.609 226 HB2 GLU 30 2HB GLU 30 -1.257 17.396 -0.967 227 HB3 GLU 30 1HB GLU 30 -0.525 16.878 0.553 228 HG2 GLU 30 2HG GLU 30 0.943 19.017 0.299 229 HG3 GLU 30 1HG GLU 30 -0.299 19.539 -0.838 230 H MET 31 HN MET 31 2.320 14.853 -1.526 231 HA MET 31 HA MET 31 3.869 15.140 0.908 232 HB2 MET 31 2HB MET 31 3.459 12.744 1.541 233 HB3 MET 31 1HB MET 31 2.058 13.789 1.761 234 HG2 MET 31 2HG MET 31 0.866 12.755 0.107 235 HG3 MET 31 1HG MET 31 2.284 12.505 -0.905 236 HE1 MET 31 1HE MET 31 1.959 11.102 3.042 237 HE2 MET 31 2HE MET 31 0.604 10.106 2.520 238 HE3 MET 31 3HE MET 31 0.569 11.844 2.239 239 H ASN 32 HN ASN 32 5.635 13.419 0.923 240 HA ASN 32 HA ASN 32 6.360 12.658 -1.843 241 HB2 ASN 32 2HB ASN 32 7.873 14.240 0.166 242 HB3 ASN 32 1HB ASN 32 8.785 13.062 -0.776 243 HD21 ASN 32 1HD2 ASN 32 7.197 16.161 -0.899 244 HD22 ASN 32 2HD2 ASN 32 7.498 16.474 -2.539 245 H LEU 33 HN LEU 33 7.732 10.856 -2.018 246 HA LEU 33 HA LEU 33 7.889 9.117 0.360 247 HB2 LEU 33 2HB LEU 33 6.121 8.523 -1.492 248 HB3 LEU 33 1HB LEU 33 7.539 7.899 -2.344 249 HG LEU 33 HG LEU 33 6.611 7.163 0.426 250 HD11 LEU 33 1HD1 LEU 33 6.173 4.986 -0.532 251 HD12 LEU 33 2HD1 LEU 33 6.892 5.471 -2.067 252 HD13 LEU 33 3HD1 LEU 33 5.381 6.198 -1.535 253 HD21 LEU 33 1HD2 LEU 33 9.112 6.459 -1.114 254 HD22 LEU 33 2HD2 LEU 33 8.490 5.410 0.156 255 HD23 LEU 33 3HD2 LEU 33 8.981 7.059 0.539 256 H GLU 34 HN GLU 34 10.017 9.207 0.811 257 HA GLU 34 HA GLU 34 11.959 9.310 -1.362 258 HB2 GLU 34 2HB GLU 34 11.940 9.921 1.490 259 HB3 GLU 34 1HB GLU 34 13.408 9.098 0.968 260 HG2 GLU 34 2HG GLU 34 13.875 10.768 -0.672 261 HG3 GLU 34 1HG GLU 34 12.262 11.467 -0.521 262 H SER 35 HN SER 35 10.963 7.019 1.180 263 HA SER 35 HA SER 35 11.931 4.813 -0.380 264 HB2 SER 35 2HB SER 35 13.424 4.568 2.062 265 HB3 SER 35 1HB SER 35 14.006 4.536 0.400 266 HG SER 35 HG SER 35 13.381 6.896 1.849 267 H VAL 36 HN VAL 36 11.970 2.744 1.088 268 HA VAL 36 HA VAL 36 9.957 2.947 3.188 269 HB VAL 36 HB VAL 36 8.942 2.423 0.901 270 HG11 VAL 36 1HG1 VAL 36 9.224 0.259 0.010 271 HG12 VAL 36 2HG1 VAL 36 9.925 -0.364 1.503 272 HG13 VAL 36 3HG1 VAL 36 10.856 0.722 0.477 273 HG21 VAL 36 1HG2 VAL 36 7.810 0.276 2.178 274 HG22 VAL 36 2HG2 VAL 36 7.369 1.954 2.478 275 HG23 VAL 36 3HG2 VAL 36 8.529 1.141 3.530 276 H THR 37 HN THR 37 9.931 1.171 4.669 277 HA THR 37 HA THR 37 12.512 -0.252 4.716 278 HB THR 37 HB THR 37 12.137 -0.455 7.117 279 HG1 THR 37 1HG THR 37 10.185 -0.362 7.814 280 HG21 THR 37 1HG2 THR 37 13.074 1.672 6.135 281 HG22 THR 37 2HG2 THR 37 12.312 1.867 7.713 282 HG23 THR 37 3HG2 THR 37 11.454 2.357 6.253 283 HA PRO 38 HA PRO 38 10.752 -4.298 4.002 284 HB2 PRO 38 2HB PRO 38 11.829 -4.913 6.735 285 HB3 PRO 38 1HB PRO 38 11.968 -5.856 5.238 286 HG2 PRO 38 2HG PRO 38 13.978 -4.349 6.176 287 HG3 PRO 38 1HG PRO 38 13.698 -4.592 4.445 288 HD2 PRO 38 2HD PRO 38 13.327 -2.151 6.052 289 HD3 PRO 38 1HD PRO 38 13.458 -2.327 4.287 290 H MET 39 HN MET 39 8.718 -5.188 4.453 291 HA MET 39 HA MET 39 7.241 -3.923 6.635 292 HB2 MET 39 2HB MET 39 6.173 -3.737 4.501 293 HB3 MET 39 1HB MET 39 6.390 -5.458 4.184 294 HG2 MET 39 2HG MET 39 4.677 -6.077 5.565 295 HG3 MET 39 1HG MET 39 4.945 -4.740 6.679 296 HE1 MET 39 1HE MET 39 2.869 -4.490 2.588 297 HE2 MET 39 2HE MET 39 2.969 -5.986 3.513 298 HE3 MET 39 3HE MET 39 4.444 -5.214 2.936 299 H THR 40 HN THR 40 6.259 -5.030 8.252 300 HA THR 40 HA THR 40 6.983 -7.872 8.482 301 HB THR 40 HB THR 40 6.107 -6.082 10.740 302 HG1 THR 40 1HG THR 40 8.135 -5.559 9.389 303 HG21 THR 40 1HG2 THR 40 7.835 -8.560 10.717 304 HG22 THR 40 2HG2 THR 40 6.094 -8.595 10.981 305 HG23 THR 40 3HG2 THR 40 7.143 -7.753 12.122 306 H LEU 41 HN LEU 41 5.398 -9.303 8.183 307 HA LEU 41 HA LEU 41 2.605 -8.403 8.604 308 HB2 LEU 41 2HB LEU 41 3.878 -9.898 6.485 309 HB3 LEU 41 1HB LEU 41 2.592 -10.852 7.222 310 HG LEU 41 HG LEU 41 1.116 -8.754 7.003 311 HD11 LEU 41 1HD1 LEU 41 3.428 -8.013 5.183 312 HD12 LEU 41 2HD1 LEU 41 2.854 -7.107 6.583 313 HD13 LEU 41 3HD1 LEU 41 1.845 -7.239 5.145 314 HD21 LEU 41 1HD2 LEU 41 0.758 -10.639 5.621 315 HD22 LEU 41 2HD2 LEU 41 2.183 -10.294 4.642 316 HD23 LEU 41 3HD2 LEU 41 0.766 -9.241 4.549 317 H THR 42 HN THR 42 1.699 -9.145 10.401 318 HA THR 42 HA THR 42 2.573 -11.757 11.472 319 HB THR 42 HB THR 42 2.674 -10.851 13.526 320 HG1 THR 42 1HG THR 42 0.344 -10.931 13.502 321 HG21 THR 42 1HG2 THR 42 2.027 -8.204 12.218 322 HG22 THR 42 2HG2 THR 42 3.605 -8.980 12.105 323 HG23 THR 42 3HG2 THR 42 2.981 -8.471 13.674 324 H THR 43 HN THR 43 1.065 -13.320 11.621 325 HA THR 43 HA THR 43 -1.668 -12.617 10.799 326 HB THR 43 HB THR 43 -0.427 -15.364 11.058 327 HG1 THR 43 1HG THR 43 0.630 -14.266 9.455 328 HG21 THR 43 1HG2 THR 43 -2.902 -15.273 11.169 329 HG22 THR 43 2HG2 THR 43 -2.344 -16.039 9.681 330 HG23 THR 43 3HG2 THR 43 -2.922 -14.373 9.651 331 H LEU 44 HN LEU 44 -3.191 -12.400 12.286 332 HA LEU 44 HA LEU 44 -2.679 -13.283 15.002 333 HB2 LEU 44 2HB LEU 44 -5.175 -11.897 14.057 334 HB3 LEU 44 1HB LEU 44 -4.407 -11.836 15.645 335 HG LEU 44 HG LEU 44 -3.349 -10.625 13.072 336 HD11 LEU 44 1HD1 LEU 44 -4.360 -8.746 13.786 337 HD12 LEU 44 2HD1 LEU 44 -3.492 -8.844 15.318 338 HD13 LEU 44 3HD1 LEU 44 -5.052 -9.643 15.137 339 HD21 LEU 44 1HD2 LEU 44 -2.090 -11.134 15.758 340 HD22 LEU 44 2HD2 LEU 44 -1.612 -9.717 14.821 341 HD23 LEU 44 3HD2 LEU 44 -1.395 -11.332 14.149 342 H GLU 45 HN GLU 45 -3.392 -15.081 15.826 343 HA GLU 45 HA GLU 45 -4.674 -17.134 14.523 344 HB2 GLU 45 2HB GLU 45 -3.596 -17.387 16.722 345 HB3 GLU 45 1HB GLU 45 -4.906 -16.471 17.469 346 HG2 GLU 45 2HG GLU 45 -5.952 -18.619 15.819 347 HG3 GLU 45 1HG GLU 45 -4.838 -19.242 17.036 348 H GLY 46 HN GLY 46 -6.168 -14.542 16.439 349 HA2 GLY 46 2HA GLY 46 -8.793 -15.291 16.526 350 HA3 GLY 46 1HA GLY 46 -8.286 -13.623 16.272 351 H GLY 47 HN GLY 47 -6.921 -14.589 13.719 352 HA2 GLY 47 2HA GLY 47 -7.748 -15.473 11.594 353 HA3 GLY 47 1HA GLY 47 -9.339 -14.862 12.031 354 H ASN 48 HN ASN 48 -6.975 -12.701 13.015 355 HA ASN 48 HA ASN 48 -7.471 -11.008 10.643 356 HB2 ASN 48 2HB ASN 48 -6.422 -9.987 13.265 357 HB3 ASN 48 1HB ASN 48 -7.307 -9.119 12.013 358 HD21 ASN 48 1HD2 ASN 48 -9.478 -10.921 11.606 359 HD22 ASN 48 2HD2 ASN 48 -10.401 -10.989 13.029 360 H LEU 49 HN LEU 49 -5.684 -9.469 10.105 361 HA LEU 49 HA LEU 49 -3.027 -10.703 10.521 362 HB2 LEU 49 2HB LEU 49 -4.497 -10.444 8.118 363 HB3 LEU 49 1HB LEU 49 -3.204 -9.249 8.037 364 HG LEU 49 HG LEU 49 -2.738 -12.160 8.762 365 HD11 LEU 49 1HD1 LEU 49 -3.591 -11.450 6.305 366 HD12 LEU 49 2HD1 LEU 49 -2.378 -12.696 6.563 367 HD13 LEU 49 3HD1 LEU 49 -1.880 -11.064 6.129 368 HD21 LEU 49 1HD2 LEU 49 -0.586 -10.586 7.548 369 HD22 LEU 49 2HD2 LEU 49 -0.565 -11.570 9.009 370 HD23 LEU 49 3HD2 LEU 49 -1.141 -9.908 9.076 371 H GLU 50 HN GLU 50 -1.346 -9.297 10.897 372 HA GLU 50 HA GLU 50 -2.026 -6.428 11.048 373 HB2 GLU 50 2HB GLU 50 -1.802 -7.377 13.294 374 HB3 GLU 50 1HB GLU 50 -0.223 -8.035 12.869 375 HG2 GLU 50 2HG GLU 50 0.806 -5.971 12.901 376 HG3 GLU 50 1HG GLU 50 -0.666 -5.115 12.444 377 H ALA 51 HN ALA 51 -0.813 -5.157 9.816 378 HA ALA 51 HA ALA 51 1.805 -6.192 8.920 379 HB1 ALA 51 1HB ALA 51 0.709 -6.232 6.922 380 HB2 ALA 51 2HB ALA 51 1.179 -4.529 6.921 381 HB3 ALA 51 3HB ALA 51 -0.452 -4.995 7.411 382 H LYS 52 HN LYS 52 3.491 -4.952 9.433 383 HA LYS 52 HA LYS 52 3.008 -2.095 10.025 384 HB2 LYS 52 2HB LYS 52 5.096 -3.628 11.517 385 HB3 LYS 52 1HB LYS 52 4.199 -2.189 12.005 386 HG2 LYS 52 2HG LYS 52 2.125 -3.598 12.124 387 HG3 LYS 52 1HG LYS 52 3.125 -5.017 11.816 388 HD2 LYS 52 2HD LYS 52 3.457 -3.102 14.145 389 HD3 LYS 52 1HD LYS 52 2.747 -4.715 14.236 390 HE2 LYS 52 2HE LYS 52 4.935 -5.188 14.851 391 HE3 LYS 52 1HE LYS 52 5.035 -5.432 13.107 392 HZ1 LYS 52 1HZ LYS 52 6.446 -3.602 14.672 393 HZ2 LYS 52 2HZ LYS 52 5.416 -2.711 13.655 394 HZ3 LYS 52 3HZ LYS 52 6.521 -3.818 12.991 395 H VAL 53 HN VAL 53 4.252 -0.754 8.871 396 HA VAL 53 HA VAL 53 6.945 -1.568 8.115 397 HB VAL 53 HB VAL 53 5.552 -2.340 6.249 398 HG11 VAL 53 1HG1 VAL 53 3.717 -0.631 6.748 399 HG12 VAL 53 2HG1 VAL 53 4.097 -0.881 5.044 400 HG13 VAL 53 3HG1 VAL 53 4.712 0.543 5.885 401 HG21 VAL 53 1HG2 VAL 53 7.786 -0.736 6.093 402 HG22 VAL 53 2HG2 VAL 53 6.662 0.105 5.029 403 HG23 VAL 53 3HG2 VAL 53 7.067 -1.583 4.725 404 H THR 54 HN THR 54 8.268 0.202 7.600 405 HA THR 54 HA THR 54 7.165 2.802 8.457 406 HB THR 54 HB THR 54 10.085 2.196 8.366 407 HG1 THR 54 1HG THR 54 9.865 0.730 9.826 408 HG21 THR 54 1HG2 THR 54 10.224 3.851 10.051 409 HG22 THR 54 2HG2 THR 54 8.504 3.724 10.429 410 HG23 THR 54 3HG2 THR 54 9.023 4.467 8.914 411 H MET 55 HN MET 55 7.194 4.471 7.061 412 HA MET 55 HA MET 55 8.793 4.131 4.599 413 HB2 MET 55 2HB MET 55 6.703 6.072 4.269 414 HB3 MET 55 1HB MET 55 7.071 4.658 3.294 415 HG2 MET 55 2HG MET 55 5.899 3.343 5.245 416 HG3 MET 55 1HG MET 55 5.188 4.918 5.614 417 HE1 MET 55 1HE MET 55 4.524 6.478 3.631 418 HE2 MET 55 2HE MET 55 3.648 5.951 2.202 419 HE3 MET 55 3HE MET 55 5.407 5.891 2.212 420 H LEU 56 HN LEU 56 9.703 5.937 3.669 421 HA LEU 56 HA LEU 56 10.294 8.049 5.629 422 HB2 LEU 56 2HB LEU 56 12.257 6.904 4.585 423 HB3 LEU 56 1HB LEU 56 11.691 7.447 3.005 424 HG LEU 56 HG LEU 56 11.836 9.809 3.780 425 HD11 LEU 56 1HD1 LEU 56 13.434 9.875 5.960 426 HD12 LEU 56 2HD1 LEU 56 12.496 8.428 6.330 427 HD13 LEU 56 3HD1 LEU 56 11.676 9.965 6.059 428 HD21 LEU 56 1HD2 LEU 56 13.994 9.882 3.093 429 HD22 LEU 56 2HD2 LEU 56 13.920 8.121 3.040 430 HD23 LEU 56 3HD2 LEU 56 14.544 8.934 4.473 431 H ILE 57 HN ILE 57 8.502 9.302 5.445 432 HA ILE 57 HA ILE 57 7.731 10.212 2.784 433 HB ILE 57 HB ILE 57 6.343 10.276 5.460 434 HG12 ILE 57 2HG1 ILE 57 6.471 8.305 3.560 435 HG13 ILE 57 1HG1 ILE 57 5.121 8.518 4.670 436 HG21 ILE 57 1HG2 ILE 57 4.434 11.313 4.121 437 HG22 ILE 57 2HG2 ILE 57 5.633 11.661 2.871 438 HG23 ILE 57 3HG2 ILE 57 5.792 12.376 4.474 439 HD11 ILE 57 1HD1 ILE 57 3.836 9.700 3.025 440 HD12 ILE 57 2HD1 ILE 57 4.496 8.290 2.202 441 HD13 ILE 57 3HD1 ILE 57 5.225 9.865 1.960 442 H SER 58 HN SER 58 8.393 12.093 2.103 443 HA SER 58 HA SER 58 9.428 14.150 2.067 444 HB2 SER 58 2HB SER 58 7.683 14.719 4.459 445 HB3 SER 58 1HB SER 58 8.222 15.843 3.214 446 HG SER 58 HG SER 58 6.481 13.621 2.882 447 H GLY 59 HN GLY 59 11.132 12.396 3.317 448 HA2 GLY 59 2HA GLY 59 13.062 12.491 4.562 449 HA3 GLY 59 1HA GLY 59 12.665 14.158 4.958 450 H ARG 60 HN ARG 60 9.986 12.479 5.777 451 HA ARG 60 HA ARG 60 10.894 12.168 8.573 452 HB2 ARG 60 2HB ARG 60 8.078 12.564 7.538 453 HB3 ARG 60 1HB ARG 60 8.579 12.537 9.225 454 HG2 ARG 60 2HG ARG 60 9.797 14.517 7.302 455 HG3 ARG 60 1HG ARG 60 8.243 14.848 8.061 456 HD2 ARG 60 2HD ARG 60 9.314 14.463 10.296 457 HD3 ARG 60 1HD ARG 60 10.864 14.300 9.479 458 HE ARG 60 HE ARG 60 9.466 16.757 8.861 459 HH11 ARG 60 1HH1 ARG 60 10.478 18.653 9.599 460 HH12 ARG 60 2HH1 ARG 60 11.750 18.550 10.769 461 HH21 ARG 60 1HH2 ARG 60 11.624 15.092 10.992 462 HH22 ARG 60 2HH2 ARG 60 12.400 16.534 11.558 463 H CYS 61 HN CYS 61 10.773 10.223 9.540 464 HA CYS 61 HA CYS 61 9.975 7.942 7.932 465 HB2 CYS 61 2HB CYS 61 11.937 8.257 9.777 466 HB3 CYS 61 1HB CYS 61 10.674 7.533 10.776 467 H GLN 62 HN GLN 62 7.912 7.396 7.821 468 HA GLN 62 HA GLN 62 6.176 7.882 10.157 469 HB2 GLN 62 2HB GLN 62 5.657 7.727 7.203 470 HB3 GLN 62 1HB GLN 62 4.349 7.474 8.359 471 HG2 GLN 62 2HG GLN 62 6.171 9.886 8.455 472 HG3 GLN 62 1HG GLN 62 4.658 9.872 7.553 473 HE21 GLN 62 1HE2 GLN 62 4.084 7.845 10.109 474 HE22 GLN 62 2HE2 GLN 62 3.448 8.960 11.219 475 H GLU 63 HN GLU 63 5.792 6.168 11.375 476 HA GLU 63 HA GLU 63 6.170 3.471 10.420 477 HB2 GLU 63 2HB GLU 63 6.179 4.701 12.924 478 HB3 GLU 63 1HB GLU 63 4.711 3.723 12.927 479 HG2 GLU 63 2HG GLU 63 6.116 1.797 12.068 480 HG3 GLU 63 1HG GLU 63 7.538 2.791 12.381 481 H VAL 64 HN VAL 64 4.693 2.424 9.259 482 HA VAL 64 HA VAL 64 1.877 3.278 9.459 483 HB VAL 64 HB VAL 64 3.186 1.584 7.329 484 HG11 VAL 64 1HG1 VAL 64 0.745 1.340 7.535 485 HG12 VAL 64 2HG1 VAL 64 1.162 2.201 6.050 486 HG13 VAL 64 3HG1 VAL 64 0.557 3.094 7.446 487 HG21 VAL 64 1HG2 VAL 64 2.583 4.561 7.322 488 HG22 VAL 64 2HG2 VAL 64 3.247 3.635 5.976 489 HG23 VAL 64 3HG2 VAL 64 4.195 3.853 7.449 490 H LYS 65 HN LYS 65 0.320 1.885 10.132 491 HA LYS 65 HA LYS 65 0.996 -0.952 10.384 492 HB2 LYS 65 2HB LYS 65 -0.235 -0.916 12.615 493 HB3 LYS 65 1HB LYS 65 1.379 -0.205 12.611 494 HG2 LYS 65 2HG LYS 65 0.564 1.972 12.731 495 HG3 LYS 65 1HG LYS 65 -1.001 1.526 12.065 496 HD2 LYS 65 2HD LYS 65 -0.223 0.276 14.654 497 HD3 LYS 65 1HD LYS 65 -0.674 1.980 14.682 498 HE2 LYS 65 2HE LYS 65 -2.379 -0.098 13.305 499 HE3 LYS 65 1HE LYS 65 -2.575 0.284 15.014 500 HZ1 LYS 65 1HZ LYS 65 -3.639 2.146 14.513 501 HZ2 LYS 65 2HZ LYS 65 -3.677 1.633 12.894 502 HZ3 LYS 65 3HZ LYS 65 -2.425 2.643 13.438 503 H ALA 66 HN ALA 66 -0.534 -2.177 9.678 504 HA ALA 66 HA ALA 66 -3.263 -1.115 9.389 505 HB1 ALA 66 1HB ALA 66 -3.296 -1.421 7.155 506 HB2 ALA 66 2HB ALA 66 -2.473 -2.976 7.274 507 HB3 ALA 66 3HB ALA 66 -1.537 -1.482 7.264 508 H VAL 67 HN VAL 67 -4.728 -2.409 10.311 509 HA VAL 67 HA VAL 67 -3.988 -5.199 10.863 510 HB VAL 67 HB VAL 67 -6.374 -3.911 12.104 511 HG11 VAL 67 1HG1 VAL 67 -4.215 -5.662 13.293 512 HG12 VAL 67 2HG1 VAL 67 -5.577 -6.329 12.393 513 HG13 VAL 67 3HG1 VAL 67 -5.861 -5.422 13.879 514 HG21 VAL 67 1HG2 VAL 67 -4.831 -3.044 13.918 515 HG22 VAL 67 2HG2 VAL 67 -4.729 -2.160 12.395 516 HG23 VAL 67 3HG2 VAL 67 -3.483 -3.334 12.819 517 H LEU 68 HN LEU 68 -4.729 -6.539 9.377 518 HA LEU 68 HA LEU 68 -7.071 -5.861 7.820 519 HB2 LEU 68 2HB LEU 68 -5.453 -8.395 7.649 520 HB3 LEU 68 1HB LEU 68 -6.384 -7.615 6.384 521 HG LEU 68 HG LEU 68 -3.848 -6.538 7.641 522 HD11 LEU 68 1HD1 LEU 68 -4.318 -7.265 4.747 523 HD12 LEU 68 2HD1 LEU 68 -3.832 -8.494 5.913 524 HD13 LEU 68 3HD1 LEU 68 -2.786 -7.108 5.610 525 HD21 LEU 68 1HD2 LEU 68 -4.255 -4.974 5.509 526 HD22 LEU 68 2HD2 LEU 68 -4.954 -4.583 7.082 527 HD23 LEU 68 3HD2 LEU 68 -5.936 -5.375 5.850 528 H GLU 69 HN GLU 69 -8.923 -6.157 9.075 529 HA GLU 69 HA GLU 69 -9.223 -8.583 10.651 530 HB2 GLU 69 2HB GLU 69 -11.199 -6.359 10.054 531 HB3 GLU 69 1HB GLU 69 -11.410 -7.638 11.250 532 HG2 GLU 69 2HG GLU 69 -8.898 -6.068 11.463 533 HG3 GLU 69 1HG GLU 69 -10.384 -5.206 11.853 534 H LYS 70 HN LYS 70 -10.158 -10.417 9.916 535 HA LYS 70 HA LYS 70 -10.817 -10.763 7.195 536 HB2 LYS 70 2HB LYS 70 -10.460 -12.413 9.428 537 HB3 LYS 70 1HB LYS 70 -12.124 -12.694 8.914 538 HG2 LYS 70 2HG LYS 70 -11.364 -13.133 6.621 539 HG3 LYS 70 1HG LYS 70 -9.696 -12.811 7.100 540 HD2 LYS 70 2HD LYS 70 -9.458 -14.844 8.078 541 HD3 LYS 70 1HD LYS 70 -11.068 -14.785 8.796 542 HE2 LYS 70 2HE LYS 70 -12.080 -15.397 6.651 543 HE3 LYS 70 1HE LYS 70 -10.494 -15.385 5.879 544 HZ1 LYS 70 1HZ LYS 70 -9.805 -17.231 7.116 545 HZ2 LYS 70 2HZ LYS 70 -11.386 -17.616 6.622 546 HZ3 LYS 70 3HZ LYS 70 -11.091 -17.100 8.215 547 H THR 71 HN THR 71 -12.702 -10.641 6.078 548 HA THR 71 HA THR 71 -15.072 -9.701 7.580 549 HB THR 71 HB THR 71 -15.788 -8.670 5.484 550 HG1 THR 71 1HG THR 71 -14.991 -9.481 3.740 551 HG21 THR 71 1HG2 THR 71 -13.119 -7.607 5.357 552 HG22 THR 71 2HG2 THR 71 -13.539 -7.937 7.035 553 HG23 THR 71 3HG2 THR 71 -14.560 -6.880 6.061 554 H ASP 72 HN ASP 72 -17.137 -10.174 6.200 555 HA ASP 72 HA ASP 72 -17.568 -12.958 6.271 556 HB2 ASP 72 2HB ASP 72 -19.145 -10.655 6.035 557 HB3 ASP 72 1HB ASP 72 -19.462 -11.584 4.570 558 H GLU 73 HN GLU 73 -15.841 -11.201 4.026 559 HA GLU 73 HA GLU 73 -16.362 -13.216 1.929 560 HB2 GLU 73 2HB GLU 73 -16.847 -10.503 1.721 561 HB3 GLU 73 1HB GLU 73 -15.267 -10.695 0.961 562 HG2 GLU 73 2HG GLU 73 -17.776 -12.260 0.291 563 HG3 GLU 73 1HG GLU 73 -17.031 -11.012 -0.706 564 HA PRO 74 HA PRO 74 -12.035 -14.001 3.299 565 HB2 PRO 74 2HB PRO 74 -12.267 -15.718 0.852 566 HB3 PRO 74 1HB PRO 74 -11.541 -16.095 2.426 567 HG2 PRO 74 2HG PRO 74 -13.944 -17.013 1.771 568 HG3 PRO 74 1HG PRO 74 -13.578 -16.488 3.422 569 HD2 PRO 74 2HD PRO 74 -15.242 -15.149 1.351 570 HD3 PRO 74 1HD PRO 74 -15.360 -15.057 3.123 571 H GLY 75 HN GLY 75 -10.105 -13.168 2.616 572 HA2 GLY 75 2HA GLY 75 -8.526 -12.341 1.056 573 HA3 GLY 75 1HA GLY 75 -9.806 -12.238 -0.147 574 H LYS 76 HN LYS 76 -11.709 -10.860 1.447 575 HA LYS 76 HA LYS 76 -10.598 -8.184 1.271 576 HB2 LYS 76 2HB LYS 76 -12.766 -8.701 0.202 577 HB3 LYS 76 1HB LYS 76 -13.426 -9.117 1.782 578 HG2 LYS 76 2HG LYS 76 -12.214 -6.558 2.051 579 HG3 LYS 76 1HG LYS 76 -13.173 -6.512 0.580 580 HD2 LYS 76 2HD LYS 76 -14.171 -7.404 3.295 581 HD3 LYS 76 1HD LYS 76 -14.544 -5.867 2.519 582 HE2 LYS 76 2HE LYS 76 -15.138 -7.770 0.583 583 HE3 LYS 76 1HE LYS 76 -15.713 -8.491 2.084 584 HZ1 LYS 76 1HZ LYS 76 -16.960 -6.491 2.551 585 HZ2 LYS 76 2HZ LYS 76 -17.402 -7.097 1.026 586 HZ3 LYS 76 3HZ LYS 76 -16.372 -5.751 1.141 587 H TYR 77 HN TYR 77 -9.863 -7.192 2.942 588 HA TYR 77 HA TYR 77 -10.833 -7.929 5.636 589 HB2 TYR 77 2HB TYR 77 -8.146 -6.789 4.870 590 HB3 TYR 77 1HB TYR 77 -8.670 -7.205 6.501 591 HD1 TYR 77 1HD TYR 77 -8.241 -8.672 3.096 592 HD2 TYR 77 2HD TYR 77 -8.347 -9.382 7.321 593 HE1 TYR 77 1HE TYR 77 -7.522 -11.019 2.719 594 HE2 TYR 77 2HE TYR 77 -7.625 -11.723 6.952 595 HH TYR 77 HH TYR 77 -6.174 -12.867 4.708 596 H THR 78 HN THR 78 -10.762 -6.217 7.242 597 HA THR 78 HA THR 78 -11.198 -3.547 6.068 598 HB THR 78 HB THR 78 -12.874 -3.459 8.172 599 HG1 THR 78 1HG THR 78 -13.323 -5.383 8.815 600 HG21 THR 78 1HG2 THR 78 -13.661 -2.769 6.082 601 HG22 THR 78 2HG2 THR 78 -14.656 -4.186 6.423 602 HG23 THR 78 3HG2 THR 78 -13.284 -4.317 5.322 603 H ALA 79 HN ALA 79 -10.772 -1.775 7.479 604 HA ALA 79 HA ALA 79 -8.796 -2.453 9.548 605 HB1 ALA 79 1HB ALA 79 -8.419 -0.753 7.583 606 HB2 ALA 79 2HB ALA 79 -7.837 -0.365 9.200 607 HB3 ALA 79 3HB ALA 79 -9.342 0.342 8.612 608 H ASP 80 HN ASP 80 -8.835 -1.122 11.508 609 HA ASP 80 HA ASP 80 -11.043 -1.408 13.048 610 HB2 ASP 80 2HB ASP 80 -9.026 0.837 13.162 611 HB3 ASP 80 1HB ASP 80 -10.199 0.505 14.434 612 H GLY 81 HN GLY 81 -10.632 1.010 10.563 613 HA2 GLY 81 2HA GLY 81 -12.921 2.566 11.524 614 HA3 GLY 81 1HA GLY 81 -11.861 2.994 10.191 615 H GLY 82 HN GLY 82 -12.612 -0.174 9.735 616 HA2 GLY 82 2HA GLY 82 -13.876 -1.257 8.148 617 HA3 GLY 82 1HA GLY 82 -15.209 -0.384 8.896 618 H LYS 83 HN LYS 83 -12.977 1.826 7.675 619 HA LYS 83 HA LYS 83 -14.664 2.255 5.299 620 HB2 LYS 83 2HB LYS 83 -12.706 4.135 6.644 621 HB3 LYS 83 1HB LYS 83 -13.808 4.539 5.326 622 HG2 LYS 83 2HG LYS 83 -15.341 3.305 7.387 623 HG3 LYS 83 1HG LYS 83 -14.338 4.548 8.138 624 HD2 LYS 83 2HD LYS 83 -15.122 6.167 6.403 625 HD3 LYS 83 1HD LYS 83 -16.207 4.921 5.780 626 HE2 LYS 83 2HE LYS 83 -16.244 6.081 8.581 627 HE3 LYS 83 1HE LYS 83 -17.430 6.389 7.313 628 HZ1 LYS 83 1HZ LYS 83 -17.185 4.142 9.074 629 HZ2 LYS 83 2HZ LYS 83 -17.309 3.677 7.444 630 HZ3 LYS 83 3HZ LYS 83 -18.513 4.650 8.147 631 H HIS 84 HN HIS 84 -11.786 0.911 6.227 632 HA HIS 84 HA HIS 84 -10.526 1.388 3.616 633 HB2 HIS 84 2HB HIS 84 -9.412 0.975 6.362 634 HB3 HIS 84 1HB HIS 84 -8.487 0.391 4.982 635 HD1 HIS 84 1HD HIS 84 -9.452 2.763 3.063 636 HD2 HIS 84 2HD HIS 84 -7.724 3.211 6.829 637 HE1 HIS 84 1HE HIS 84 -8.437 5.088 3.115 638 H VAL 85 HN VAL 85 -10.795 -0.259 2.288 639 HA VAL 85 HA VAL 85 -11.165 -2.943 3.454 640 HB VAL 85 HB VAL 85 -11.911 -2.110 0.666 641 HG11 VAL 85 1HG1 VAL 85 -13.471 -4.040 0.921 642 HG12 VAL 85 2HG1 VAL 85 -12.773 -4.347 2.511 643 HG13 VAL 85 3HG1 VAL 85 -11.775 -4.503 1.063 644 HG21 VAL 85 1HG2 VAL 85 -13.503 -1.915 3.234 645 HG22 VAL 85 2HG2 VAL 85 -14.254 -1.913 1.638 646 HG23 VAL 85 3HG2 VAL 85 -13.147 -0.617 2.094 647 H ALA 86 HN ALA 86 -9.164 -3.811 3.496 648 HA ALA 86 HA ALA 86 -7.377 -3.484 1.241 649 HB1 ALA 86 1HB ALA 86 -7.054 -4.575 4.007 650 HB2 ALA 86 2HB ALA 86 -6.222 -3.218 3.248 651 HB3 ALA 86 3HB ALA 86 -5.835 -4.870 2.763 652 H TYR 87 HN TYR 87 -6.638 -5.047 -0.050 653 HA TYR 87 HA TYR 87 -7.917 -7.699 0.181 654 HB2 TYR 87 2HB TYR 87 -7.438 -5.911 -2.181 655 HB3 TYR 87 1HB TYR 87 -7.492 -7.650 -2.404 656 HD1 TYR 87 1HD TYR 87 -9.374 -4.670 -1.505 657 HD2 TYR 87 2HD TYR 87 -9.517 -8.932 -2.003 658 HE1 TYR 87 1HE TYR 87 -11.862 -4.579 -1.510 659 HE2 TYR 87 2HE TYR 87 -12.003 -8.849 -2.010 660 HH TYR 87 HH TYR 87 -13.795 -7.467 -2.181 661 H ILE 88 HN ILE 88 -6.548 -9.401 0.086 662 HA ILE 88 HA ILE 88 -3.694 -8.865 -0.462 663 HB ILE 88 HB ILE 88 -4.624 -11.231 1.121 664 HG12 ILE 88 2HG1 ILE 88 -4.326 -8.385 2.111 665 HG13 ILE 88 1HG1 ILE 88 -5.746 -9.423 2.249 666 HG21 ILE 88 1HG2 ILE 88 -2.188 -10.516 0.248 667 HG22 ILE 88 2HG2 ILE 88 -2.424 -11.332 1.793 668 HG23 ILE 88 3HG2 ILE 88 -2.220 -9.581 1.744 669 HD11 ILE 88 1HD1 ILE 88 -3.247 -9.417 3.848 670 HD12 ILE 88 2HD1 ILE 88 -3.897 -11.006 3.442 671 HD13 ILE 88 3HD1 ILE 88 -4.889 -9.847 4.327 672 H ILE 89 HN ILE 89 -3.016 -9.734 -2.352 673 HA ILE 89 HA ILE 89 -4.309 -12.227 -3.261 674 HB ILE 89 HB ILE 89 -3.047 -10.662 -5.363 675 HG12 ILE 89 2HG1 ILE 89 -3.868 -8.769 -4.021 676 HG13 ILE 89 1HG1 ILE 89 -4.813 -8.945 -5.498 677 HG21 ILE 89 1HG2 ILE 89 -5.832 -11.813 -4.965 678 HG22 ILE 89 2HG2 ILE 89 -4.478 -12.615 -5.762 679 HG23 ILE 89 3HG2 ILE 89 -5.200 -11.179 -6.486 680 HD11 ILE 89 1HD1 ILE 89 -6.685 -9.150 -4.282 681 HD12 ILE 89 2HD1 ILE 89 -5.735 -8.956 -2.814 682 HD13 ILE 89 3HD1 ILE 89 -6.020 -10.566 -3.467 683 H ARG 90 HN ARG 90 -2.984 -13.706 -4.362 684 HA ARG 90 HA ARG 90 -0.145 -13.509 -3.621 685 HB2 ARG 90 2HB ARG 90 -0.270 -16.004 -4.444 686 HB3 ARG 90 1HB ARG 90 -0.905 -15.573 -2.856 687 HG2 ARG 90 2HG ARG 90 -3.164 -15.470 -3.712 688 HG3 ARG 90 1HG ARG 90 -2.594 -15.676 -5.368 689 HD2 ARG 90 2HD ARG 90 -1.957 -17.740 -3.275 690 HD3 ARG 90 1HD ARG 90 -3.515 -17.758 -4.095 691 HE ARG 90 HE ARG 90 -1.723 -17.603 -6.146 692 HH11 ARG 90 1HH1 ARG 90 -0.811 -19.425 -7.146 693 HH12 ARG 90 2HH1 ARG 90 -0.674 -20.912 -6.268 694 HH21 ARG 90 1HH2 ARG 90 -2.096 -19.639 -3.372 695 HH22 ARG 90 2HH2 ARG 90 -1.401 -21.032 -4.131 696 H SER 91 HN SER 91 0.914 -12.415 -5.212 697 HA SER 91 HA SER 91 0.337 -12.102 -7.845 698 HB2 SER 91 2HB SER 91 2.484 -11.475 -6.305 699 HB3 SER 91 1HB SER 91 3.182 -12.727 -7.330 700 HG SER 91 HG SER 91 2.587 -11.552 -9.125 701 H HIS 92 HN HIS 92 1.298 -13.151 -9.781 702 HA HIS 92 HA HIS 92 0.829 -16.004 -9.633 703 HB2 HIS 92 2HB HIS 92 0.772 -15.988 -11.948 704 HB3 HIS 92 1HB HIS 92 0.298 -14.325 -11.599 705 HD1 HIS 92 1HD HIS 92 2.205 -12.491 -11.805 706 HD2 HIS 92 2HD HIS 92 3.205 -16.248 -13.307 707 HE1 HIS 92 1HE HIS 92 4.262 -12.168 -13.232 708 H VAL 93 HN VAL 93 3.399 -14.047 -8.936 709 HA VAL 93 HA VAL 93 5.421 -16.008 -9.788 710 HB VAL 93 HB VAL 93 5.816 -13.234 -8.639 711 HG11 VAL 93 1HG1 VAL 93 8.081 -13.592 -9.805 712 HG12 VAL 93 2HG1 VAL 93 7.645 -15.300 -9.870 713 HG13 VAL 93 3HG1 VAL 93 7.804 -14.489 -8.311 714 HG21 VAL 93 1HG2 VAL 93 6.518 -12.881 -11.152 715 HG22 VAL 93 2HG2 VAL 93 4.818 -12.785 -10.697 716 HG23 VAL 93 3HG2 VAL 93 5.449 -14.255 -11.440 717 H LYS 94 HN LYS 94 6.867 -16.886 -8.276 718 HA LYS 94 HA LYS 94 5.749 -17.502 -5.741 719 HB2 LYS 94 2HB LYS 94 7.442 -18.842 -7.200 720 HB3 LYS 94 1HB LYS 94 8.658 -17.873 -6.366 721 HG2 LYS 94 2HG LYS 94 7.725 -18.601 -4.186 722 HG3 LYS 94 1HG LYS 94 6.552 -19.605 -5.037 723 HD2 LYS 94 2HD LYS 94 8.068 -21.240 -5.382 724 HD3 LYS 94 1HD LYS 94 9.270 -20.094 -5.973 725 HE2 LYS 94 2HE LYS 94 9.916 -19.524 -3.697 726 HE3 LYS 94 1HE LYS 94 8.629 -20.536 -3.043 727 HZ1 LYS 94 1HZ LYS 94 9.708 -22.456 -3.646 728 HZ2 LYS 94 2HZ LYS 94 11.021 -21.464 -3.225 729 HZ3 LYS 94 3HZ LYS 94 10.624 -21.707 -4.859 730 H ASP 95 HN ASP 95 6.307 -16.865 -3.693 731 HA ASP 95 HA ASP 95 6.987 -15.454 -2.023 732 HB2 ASP 95 2HB ASP 95 9.336 -14.804 -3.803 733 HB3 ASP 95 1HB ASP 95 9.254 -14.711 -2.044 734 H HIS 96 HN HIS 96 5.274 -14.409 -4.177 735 HA HIS 96 HA HIS 96 5.851 -11.547 -3.759 736 HB2 HIS 96 2HB HIS 96 5.302 -12.959 -6.348 737 HB3 HIS 96 1HB HIS 96 4.824 -11.273 -6.137 738 HD1 HIS 96 1HD HIS 96 7.924 -13.468 -5.848 739 HD2 HIS 96 2HD HIS 96 6.921 -9.463 -6.415 740 HE1 HIS 96 1HE HIS 96 10.094 -12.241 -6.306 741 H TYR 97 HN TYR 97 4.093 -10.281 -3.308 742 HA TYR 97 HA TYR 97 1.424 -11.467 -3.583 743 HB2 TYR 97 2HB TYR 97 2.797 -10.811 -1.043 744 HB3 TYR 97 1HB TYR 97 1.100 -10.344 -1.170 745 HD1 TYR 97 1HD TYR 97 3.458 -13.184 -1.581 746 HD2 TYR 97 2HD TYR 97 -0.619 -11.973 -1.012 747 HE1 TYR 97 1HE TYR 97 2.811 -15.550 -1.191 748 HE2 TYR 97 2HE TYR 97 -1.270 -14.330 -0.626 749 HH TYR 97 HH TYR 97 -0.239 -16.431 0.080 750 H ILE 98 HN ILE 98 -0.157 -10.061 -4.056 751 HA ILE 98 HA ILE 98 0.608 -7.258 -4.459 752 HB ILE 98 HB ILE 98 -1.937 -8.601 -5.386 753 HG12 ILE 98 2HG1 ILE 98 0.072 -9.917 -6.177 754 HG13 ILE 98 1HG1 ILE 98 -0.896 -9.230 -7.471 755 HG21 ILE 98 1HG2 ILE 98 -1.683 -6.857 -7.221 756 HG22 ILE 98 2HG2 ILE 98 -0.382 -6.162 -6.255 757 HG23 ILE 98 3HG2 ILE 98 -2.020 -6.233 -5.605 758 HD11 ILE 98 1HD1 ILE 98 0.868 -8.071 -8.240 759 HD12 ILE 98 2HD1 ILE 98 1.868 -8.899 -7.050 760 HD13 ILE 98 3HD1 ILE 98 1.151 -7.337 -6.664 761 H PHE 99 HN PHE 99 -0.240 -5.680 -3.213 762 HA PHE 99 HA PHE 99 -2.452 -6.435 -1.416 763 HB2 PHE 99 2HB PHE 99 -0.238 -6.044 -0.292 764 HB3 PHE 99 1HB PHE 99 -0.266 -4.398 -0.916 765 HD1 PHE 99 1HD PHE 99 -1.370 -6.601 1.687 766 HD2 PHE 99 2HD PHE 99 -2.297 -2.921 -0.326 767 HE1 PHE 99 1HE PHE 99 -2.789 -5.910 3.599 768 HE2 PHE 99 2HE PHE 99 -3.716 -2.230 1.583 769 HZ PHE 99 HZ PHE 99 -3.958 -3.723 3.551 770 H TYR 100 HN TYR 100 -4.240 -5.167 -1.540 771 HA TYR 100 HA TYR 100 -4.004 -2.564 -2.926 772 HB2 TYR 100 2HB TYR 100 -4.796 -4.006 -4.637 773 HB3 TYR 100 1HB TYR 100 -5.890 -4.837 -3.538 774 HD1 TYR 100 1HD TYR 100 -5.174 -1.335 -4.679 775 HD2 TYR 100 2HD TYR 100 -8.142 -4.270 -3.674 776 HE1 TYR 100 1HE TYR 100 -6.963 0.267 -5.296 777 HE2 TYR 100 2HE TYR 100 -9.930 -2.669 -4.284 778 HH TYR 100 HH TYR 100 -9.380 0.625 -4.727 779 H SER 101 HN SER 101 -5.718 -1.067 -2.380 780 HA SER 101 HA SER 101 -7.545 -1.814 -0.276 781 HB2 SER 101 2HB SER 101 -6.535 0.211 1.113 782 HB3 SER 101 1HB SER 101 -5.931 -1.432 1.304 783 HG SER 101 HG SER 101 -4.836 0.740 -0.114 784 H GLU 102 HN GLU 102 -9.142 -0.335 0.148 785 HA GLU 102 HA GLU 102 -9.193 2.116 -1.497 786 HB2 GLU 102 2HB GLU 102 -11.822 0.975 -1.344 787 HB3 GLU 102 1HB GLU 102 -10.869 1.356 -2.780 788 HG2 GLU 102 2HG GLU 102 -9.666 -0.805 -2.503 789 HG3 GLU 102 1HG GLU 102 -10.730 -1.196 -1.153 790 H GLY 103 HN GLY 103 -10.551 3.726 -0.700 791 HA2 GLY 103 2HA GLY 103 -12.257 3.598 1.497 792 HA3 GLY 103 1HA GLY 103 -10.649 3.973 2.120 793 H GLU 104 HN GLU 104 -10.832 6.103 2.645 794 HA GLU 104 HA GLU 104 -10.992 7.966 0.448 795 HB2 GLU 104 2HB GLU 104 -12.842 9.266 1.259 796 HB3 GLU 104 1HB GLU 104 -13.385 7.594 1.091 797 HG2 GLU 104 2HG GLU 104 -12.554 7.409 3.578 798 HG3 GLU 104 1HG GLU 104 -12.789 9.157 3.565 799 H LEU 105 HN LEU 105 -10.228 10.021 0.937 800 HA LEU 105 HA LEU 105 -9.077 10.373 3.631 801 HB2 LEU 105 2HB LEU 105 -7.421 9.616 1.771 802 HB3 LEU 105 1HB LEU 105 -7.583 11.271 1.184 803 HG LEU 105 HG LEU 105 -7.195 11.781 3.796 804 HD11 LEU 105 1HD1 LEU 105 -5.517 9.313 3.285 805 HD12 LEU 105 2HD1 LEU 105 -7.000 9.299 4.239 806 HD13 LEU 105 3HD1 LEU 105 -5.615 10.248 4.778 807 HD21 LEU 105 1HD2 LEU 105 -4.988 11.151 1.807 808 HD22 LEU 105 2HD2 LEU 105 -4.822 12.173 3.235 809 HD23 LEU 105 3HD2 LEU 105 -5.866 12.678 1.908 810 H HIS 106 HN HIS 106 -10.531 11.866 4.278 811 HA HIS 106 HA HIS 106 -11.210 14.024 4.653 812 HB2 HIS 106 2HB HIS 106 -9.971 14.961 2.082 813 HB3 HIS 106 1HB HIS 106 -10.273 15.861 3.564 814 HD1 HIS 106 1HD HIS 106 -9.018 14.222 5.703 815 HD2 HIS 106 2HD HIS 106 -7.216 14.679 1.972 816 HE1 HIS 106 1HE HIS 106 -6.558 13.737 6.035 817 H GLY 107 HN GLY 107 -12.702 11.999 3.192 818 HA2 GLY 107 2HA GLY 107 -14.891 12.060 2.401 819 HA3 GLY 107 1HA GLY 107 -14.724 13.791 2.129 820 H LYS 108 HN LYS 108 -12.122 12.079 0.831 821 HA LYS 108 HA LYS 108 -13.377 12.043 -1.832 822 HB2 LYS 108 2HB LYS 108 -10.440 12.329 -1.638 823 HB3 LYS 108 1HB LYS 108 -11.579 13.116 -2.732 824 HG2 LYS 108 2HG LYS 108 -12.383 14.356 -0.548 825 HG3 LYS 108 1HG LYS 108 -10.785 13.908 0.055 826 HD2 LYS 108 2HD LYS 108 -9.776 14.963 -1.950 827 HD3 LYS 108 1HD LYS 108 -11.394 15.432 -2.461 828 HE2 LYS 108 2HE LYS 108 -11.508 16.474 -0.026 829 HE3 LYS 108 1HE LYS 108 -9.753 16.492 -0.200 830 HZ1 LYS 108 1HZ LYS 108 -11.772 17.824 -1.908 831 HZ2 LYS 108 2HZ LYS 108 -10.164 17.598 -2.414 832 HZ3 LYS 108 3HZ LYS 108 -10.502 18.535 -1.037 833 HA PRO 109 HA PRO 109 -12.322 7.716 -1.454 834 HB2 PRO 109 2HB PRO 109 -12.395 6.990 -4.110 835 HB3 PRO 109 1HB PRO 109 -13.825 7.159 -3.077 836 HG2 PRO 109 2HG PRO 109 -12.711 9.030 -5.092 837 HG3 PRO 109 1HG PRO 109 -14.398 8.679 -4.684 838 HD2 PRO 109 2HD PRO 109 -13.100 10.932 -3.841 839 HD3 PRO 109 1HD PRO 109 -14.425 10.180 -2.925 840 H VAL 110 HN VAL 110 -10.422 6.589 -1.329 841 HA VAL 110 HA VAL 110 -8.285 7.249 -3.239 842 HB VAL 110 HB VAL 110 -6.651 7.662 -1.595 843 HG11 VAL 110 1HG1 VAL 110 -7.429 9.627 -0.569 844 HG12 VAL 110 2HG1 VAL 110 -9.041 8.967 -0.310 845 HG13 VAL 110 3HG1 VAL 110 -8.530 9.432 -1.932 846 HG21 VAL 110 1HG2 VAL 110 -7.359 7.456 0.894 847 HG22 VAL 110 2HG2 VAL 110 -7.008 5.971 0.013 848 HG23 VAL 110 3HG2 VAL 110 -8.682 6.460 0.287 849 H ARG 111 HN ARG 111 -6.808 5.628 -3.614 850 HA ARG 111 HA ARG 111 -7.182 3.079 -2.207 851 HB2 ARG 111 2HB ARG 111 -6.706 2.612 -5.018 852 HB3 ARG 111 1HB ARG 111 -8.012 2.009 -4.000 853 HG2 ARG 111 2HG ARG 111 -9.218 4.152 -4.295 854 HG3 ARG 111 1HG ARG 111 -7.919 4.728 -5.341 855 HD2 ARG 111 2HD ARG 111 -8.339 2.698 -6.801 856 HD3 ARG 111 1HD ARG 111 -9.786 2.399 -5.841 857 HE ARG 111 HE ARG 111 -10.090 4.989 -6.611 858 HH11 ARG 111 1HH1 ARG 111 -11.072 5.623 -8.557 859 HH12 ARG 111 2HH1 ARG 111 -11.063 4.549 -9.916 860 HH21 ARG 111 1HH2 ARG 111 -9.326 2.045 -8.261 861 HH22 ARG 111 2HH2 ARG 111 -10.073 2.523 -9.749 862 H GLY 112 HN GLY 112 -5.416 1.562 -3.807 863 HA2 GLY 112 2HA GLY 112 -3.026 2.621 -4.590 864 HA3 GLY 112 1HA GLY 112 -2.897 2.586 -2.839 865 H VAL 113 HN VAL 113 -1.692 1.047 -5.212 866 HA VAL 113 HA VAL 113 -2.189 -1.670 -4.170 867 HB VAL 113 HB VAL 113 -0.802 -1.209 -6.768 868 HG11 VAL 113 1HG1 VAL 113 -1.690 -3.348 -7.291 869 HG12 VAL 113 2HG1 VAL 113 -2.907 -3.226 -6.011 870 HG13 VAL 113 3HG1 VAL 113 -1.208 -3.442 -5.590 871 HG21 VAL 113 1HG2 VAL 113 -3.343 -1.477 -7.636 872 HG22 VAL 113 2HG2 VAL 113 -2.549 0.085 -7.457 873 HG23 VAL 113 3HG2 VAL 113 -3.630 -0.503 -6.196 874 H LYS 114 HN LYS 114 -0.464 -2.817 -3.400 875 HA LYS 114 HA LYS 114 2.217 -1.651 -3.776 876 HB2 LYS 114 2HB LYS 114 1.857 -2.999 -1.227 877 HB3 LYS 114 1HB LYS 114 2.520 -1.399 -1.577 878 HG2 LYS 114 2HG LYS 114 0.192 -0.541 -1.875 879 HG3 LYS 114 1HG LYS 114 -0.423 -2.123 -1.405 880 HD2 LYS 114 2HD LYS 114 0.184 -1.862 0.800 881 HD3 LYS 114 1HD LYS 114 1.514 -0.781 0.402 882 HE2 LYS 114 2HE LYS 114 0.104 1.075 0.131 883 HE3 LYS 114 1HE LYS 114 -1.323 0.064 -0.111 884 HZ1 LYS 114 1HZ LYS 114 -0.776 1.253 2.187 885 HZ2 LYS 114 2HZ LYS 114 0.053 -0.209 2.440 886 HZ3 LYS 114 3HZ LYS 114 -1.611 -0.221 2.093 887 H LEU 115 HN LEU 115 3.775 -3.081 -4.292 888 HA LEU 115 HA LEU 115 3.043 -5.928 -4.463 889 HB2 LEU 115 2HB LEU 115 3.806 -5.004 -6.572 890 HB3 LEU 115 1HB LEU 115 5.210 -4.287 -5.807 891 HG LEU 115 HG LEU 115 6.156 -6.463 -5.374 892 HD11 LEU 115 1HD1 LEU 115 4.375 -7.875 -4.809 893 HD12 LEU 115 2HD1 LEU 115 4.821 -8.467 -6.408 894 HD13 LEU 115 3HD1 LEU 115 3.436 -7.401 -6.220 895 HD21 LEU 115 1HD2 LEU 115 6.233 -7.392 -7.751 896 HD22 LEU 115 2HD2 LEU 115 6.645 -5.683 -7.590 897 HD23 LEU 115 3HD2 LEU 115 5.050 -6.152 -8.175 898 H VAL 116 HN VAL 116 3.833 -7.236 -2.962 899 HA VAL 116 HA VAL 116 6.327 -6.434 -1.613 900 HB VAL 116 HB VAL 116 5.500 -7.121 0.461 901 HG11 VAL 116 1HG1 VAL 116 3.730 -5.664 0.761 902 HG12 VAL 116 2HG1 VAL 116 2.856 -6.278 -0.641 903 HG13 VAL 116 3HG1 VAL 116 4.210 -5.167 -0.860 904 HG21 VAL 116 1HG2 VAL 116 3.231 -8.344 0.548 905 HG22 VAL 116 2HG2 VAL 116 4.616 -9.279 -0.011 906 HG23 VAL 116 3HG2 VAL 116 3.464 -8.627 -1.175 907 H GLY 117 HN GLY 117 7.922 -7.935 -1.456 908 HA2 GLY 117 2HA GLY 117 7.239 -10.720 -2.094 909 HA3 GLY 117 1HA GLY 117 8.395 -9.904 -3.133 910 H ARG 118 HN ARG 118 7.819 -11.416 -0.114 911 HA ARG 118 HA ARG 118 9.822 -10.861 1.578 912 HB2 ARG 118 2HB ARG 118 8.232 -12.700 1.935 913 HB3 ARG 118 1HB ARG 118 9.080 -13.666 0.729 914 HG2 ARG 118 2HG ARG 118 10.863 -12.574 2.788 915 HG3 ARG 118 1HG ARG 118 9.631 -13.653 3.440 916 HD2 ARG 118 2HD ARG 118 11.527 -14.293 1.164 917 HD3 ARG 118 1HD ARG 118 11.632 -14.927 2.803 918 HE ARG 118 HE ARG 118 9.926 -15.895 0.725 919 HH11 ARG 118 1HH1 ARG 118 8.440 -17.521 1.278 920 HH12 ARG 118 2HH1 ARG 118 8.040 -17.792 2.941 921 HH21 ARG 118 1HH2 ARG 118 10.130 -15.292 4.128 922 HH22 ARG 118 2HH2 ARG 118 8.996 -16.531 4.554 923 H ASP 119 HN ASP 119 10.287 -12.092 -1.621 924 HA ASP 119 HA ASP 119 13.052 -12.880 -1.127 925 HB2 ASP 119 2HB ASP 119 11.138 -13.082 -3.396 926 HB3 ASP 119 1HB ASP 119 12.862 -13.086 -3.766 927 HA PRO 120 HA PRO 120 14.240 -8.507 -1.790 928 HB2 PRO 120 2HB PRO 120 16.889 -9.819 -2.204 929 HB3 PRO 120 1HB PRO 120 16.469 -8.417 -1.204 930 HG2 PRO 120 2HG PRO 120 16.939 -10.825 -0.145 931 HG3 PRO 120 1HG PRO 120 15.751 -9.705 0.541 932 HD2 PRO 120 2HD PRO 120 15.297 -12.220 -0.975 933 HD3 PRO 120 1HD PRO 120 14.261 -11.412 0.218 934 H LYS 121 HN LYS 121 15.463 -11.184 -3.788 935 HA LYS 121 HA LYS 121 16.309 -9.811 -6.025 936 HB2 LYS 121 2HB LYS 121 15.693 -12.501 -5.375 937 HB3 LYS 121 1HB LYS 121 14.832 -12.138 -6.867 938 HG2 LYS 121 2HG LYS 121 16.960 -12.901 -7.576 939 HG3 LYS 121 1HG LYS 121 17.063 -11.150 -7.713 940 HD2 LYS 121 2HD LYS 121 18.041 -11.182 -5.333 941 HD3 LYS 121 1HD LYS 121 18.203 -12.924 -5.543 942 HE2 LYS 121 2HE LYS 121 19.369 -10.879 -7.452 943 HE3 LYS 121 1HE LYS 121 20.277 -11.639 -6.146 944 HZ1 LYS 121 1HZ LYS 121 19.498 -12.707 -8.693 945 HZ2 LYS 121 2HZ LYS 121 19.108 -13.737 -7.399 946 HZ3 LYS 121 3HZ LYS 121 20.712 -13.224 -7.627 947 H ASN 122 HN ASN 122 15.374 -8.789 -7.715 948 HA ASN 122 HA ASN 122 12.547 -8.161 -7.492 949 HB2 ASN 122 2HB ASN 122 14.542 -7.205 -9.550 950 HB3 ASN 122 1HB ASN 122 12.971 -6.494 -9.183 951 HD21 ASN 122 1HD2 ASN 122 16.232 -6.090 -8.576 952 HD22 ASN 122 2HD2 ASN 122 16.130 -5.258 -7.101 953 H ASN 123 HN ASN 123 10.947 -8.795 -8.860 954 HA ASN 123 HA ASN 123 11.699 -10.657 -11.037 955 HB2 ASN 123 2HB ASN 123 9.621 -10.807 -8.920 956 HB3 ASN 123 1HB ASN 123 9.155 -11.359 -10.529 957 HD21 ASN 123 1HD2 ASN 123 10.146 -13.296 -11.351 958 HD22 ASN 123 2HD2 ASN 123 11.158 -14.271 -10.400 959 H LEU 124 HN LEU 124 11.693 -9.211 -12.711 960 HA LEU 124 HA LEU 124 10.009 -7.084 -13.170 961 HB2 LEU 124 2HB LEU 124 10.511 -7.407 -15.583 962 HB3 LEU 124 1HB LEU 124 11.954 -7.506 -14.573 963 HG LEU 124 HG LEU 124 10.887 -10.121 -14.670 964 HD11 LEU 124 1HD1 LEU 124 10.746 -10.585 -17.051 965 HD12 LEU 124 2HD1 LEU 124 11.128 -8.908 -17.439 966 HD13 LEU 124 3HD1 LEU 124 9.596 -9.306 -16.662 967 HD21 LEU 124 1HD2 LEU 124 13.269 -9.485 -14.512 968 HD22 LEU 124 2HD2 LEU 124 13.215 -8.868 -16.162 969 HD23 LEU 124 3HD2 LEU 124 13.004 -10.592 -15.859 970 H GLU 125 HN GLU 125 9.378 -10.484 -13.508 971 HA GLU 125 HA GLU 125 7.030 -10.229 -15.110 972 HB2 GLU 125 2HB GLU 125 8.313 -12.398 -13.503 973 HB3 GLU 125 1HB GLU 125 6.616 -12.584 -13.952 974 HG2 GLU 125 2HG GLU 125 7.143 -12.336 -16.300 975 HG3 GLU 125 1HG GLU 125 8.816 -11.925 -15.929 976 H ALA 126 HN ALA 126 7.723 -10.247 -11.667 977 HA ALA 126 HA ALA 126 4.997 -10.370 -10.827 978 HB1 ALA 126 1HB ALA 126 7.144 -10.856 -9.444 979 HB2 ALA 126 2HB ALA 126 5.808 -10.025 -8.650 980 HB3 ALA 126 3HB ALA 126 7.204 -9.108 -9.216 981 H LEU 127 HN LEU 127 7.348 -7.806 -11.508 982 HA LEU 127 HA LEU 127 5.804 -5.639 -10.612 983 HB2 LEU 127 2HB LEU 127 8.172 -6.055 -12.245 984 HB3 LEU 127 1HB LEU 127 7.193 -4.728 -12.858 985 HG LEU 127 HG LEU 127 7.925 -4.971 -9.935 986 HD11 LEU 127 1HD1 LEU 127 10.049 -4.804 -10.960 987 HD12 LEU 127 2HD1 LEU 127 9.624 -3.133 -10.597 988 HD13 LEU 127 3HD1 LEU 127 9.445 -3.750 -12.238 989 HD21 LEU 127 1HD2 LEU 127 6.908 -2.944 -9.723 990 HD22 LEU 127 2HD2 LEU 127 6.089 -3.397 -11.216 991 HD23 LEU 127 3HD2 LEU 127 7.517 -2.367 -11.271 992 H GLU 128 HN GLU 128 5.873 -7.359 -13.709 993 HA GLU 128 HA GLU 128 4.092 -5.611 -15.059 994 HB2 GLU 128 2HB GLU 128 5.528 -7.949 -15.674 995 HB3 GLU 128 1HB GLU 128 3.830 -8.365 -15.913 996 HG2 GLU 128 2HG GLU 128 3.568 -6.288 -17.287 997 HG3 GLU 128 1HG GLU 128 5.303 -6.016 -17.137 998 H ASP 129 HN ASP 129 3.647 -8.560 -13.167 999 HA ASP 129 HA ASP 129 0.860 -8.800 -13.546 1000 HB2 ASP 129 2HB ASP 129 2.713 -10.361 -12.359 1001 HB3 ASP 129 1HB ASP 129 1.989 -9.627 -10.930 1002 H PHE 130 HN PHE 130 2.806 -7.077 -11.141 1003 HA PHE 130 HA PHE 130 0.578 -6.187 -9.607 1004 HB2 PHE 130 2HB PHE 130 2.696 -6.109 -8.558 1005 HB3 PHE 130 1HB PHE 130 3.438 -5.292 -9.934 1006 HD1 PHE 130 1HD PHE 130 1.485 -4.933 -6.911 1007 HD2 PHE 130 2HD PHE 130 2.892 -2.901 -10.410 1008 HE1 PHE 130 1HE PHE 130 0.997 -2.783 -5.851 1009 HE2 PHE 130 2HE PHE 130 2.385 -0.721 -9.341 1010 HZ PHE 130 HZ PHE 130 1.441 -0.653 -7.052 1011 H GLU 131 HN GLU 131 2.570 -4.802 -12.168 1012 HA GLU 131 HA GLU 131 1.276 -2.324 -12.391 1013 HB2 GLU 131 2HB GLU 131 3.465 -2.933 -13.464 1014 HB3 GLU 131 1HB GLU 131 2.566 -3.892 -14.638 1015 HG2 GLU 131 2HG GLU 131 1.432 -1.965 -15.489 1016 HG3 GLU 131 1HG GLU 131 1.994 -0.962 -14.152 1017 H LYS 132 HN LYS 132 0.220 -5.502 -13.161 1018 HA LYS 132 HA LYS 132 -1.717 -4.585 -15.137 1019 HB2 LYS 132 2HB LYS 132 -0.813 -7.186 -14.061 1020 HB3 LYS 132 1HB LYS 132 -2.531 -7.091 -14.441 1021 HG2 LYS 132 2HG LYS 132 -2.133 -6.663 -16.700 1022 HG3 LYS 132 1HG LYS 132 -0.492 -6.084 -16.411 1023 HD2 LYS 132 2HD LYS 132 0.395 -8.190 -16.376 1024 HD3 LYS 132 1HD LYS 132 -1.037 -8.891 -15.620 1025 HE2 LYS 132 2HE LYS 132 -1.009 -7.937 -18.491 1026 HE3 LYS 132 1HE LYS 132 -0.614 -9.594 -18.034 1027 HZ1 LYS 132 1HZ LYS 132 -2.908 -9.111 -16.684 1028 HZ2 LYS 132 2HZ LYS 132 -2.797 -9.939 -18.164 1029 HZ3 LYS 132 3HZ LYS 132 -3.168 -8.282 -18.140 1030 H ALA 133 HN ALA 133 -1.470 -5.551 -11.775 1031 HA ALA 133 HA ALA 133 -4.226 -5.414 -11.163 1032 HB1 ALA 133 1HB ALA 133 -2.681 -6.479 -9.615 1033 HB2 ALA 133 2HB ALA 133 -3.466 -5.127 -8.801 1034 HB3 ALA 133 3HB ALA 133 -1.813 -4.961 -9.392 1035 H ALA 134 HN ALA 134 -1.634 -2.955 -10.866 1036 HA ALA 134 HA ALA 134 -3.296 -0.914 -9.903 1037 HB1 ALA 134 1HB ALA 134 -1.224 -0.015 -9.816 1038 HB2 ALA 134 2HB ALA 134 -1.422 0.350 -11.530 1039 HB3 ALA 134 3HB ALA 134 -0.612 -1.137 -11.032 1040 H GLY 135 HN GLY 135 -2.372 -1.911 -13.178 1041 HA2 GLY 135 2HA GLY 135 -3.809 0.038 -14.567 1042 HA3 GLY 135 1HA GLY 135 -3.474 -1.581 -15.186 1043 H ALA 136 HN ALA 136 -4.760 -3.227 -13.590 1044 HA ALA 136 HA ALA 136 -7.426 -3.163 -14.389 1045 HB1 ALA 136 1HB ALA 136 -6.233 -5.206 -13.645 1046 HB2 ALA 136 2HB ALA 136 -7.770 -4.993 -12.807 1047 HB3 ALA 136 3HB ALA 136 -6.258 -4.594 -11.992 1048 H ARG 137 HN ARG 137 -5.852 -1.437 -11.875 1049 HA ARG 137 HA ARG 137 -8.461 -0.782 -10.640 1050 HB2 ARG 137 2HB ARG 137 -5.730 -1.123 -9.532 1051 HB3 ARG 137 1HB ARG 137 -6.679 0.218 -8.888 1052 HG2 ARG 137 2HG ARG 137 -7.007 -1.910 -7.614 1053 HG3 ARG 137 1HG ARG 137 -8.501 -1.277 -8.306 1054 HD2 ARG 137 2HD ARG 137 -8.674 -2.978 -9.838 1055 HD3 ARG 137 1HD ARG 137 -6.931 -3.154 -9.997 1056 HE ARG 137 HE ARG 137 -8.627 -4.587 -8.179 1057 HH11 ARG 137 1HH1 ARG 137 -7.598 -6.027 -6.755 1058 HH12 ARG 137 2HH1 ARG 137 -5.889 -5.909 -6.499 1059 HH21 ARG 137 1HH2 ARG 137 -5.480 -3.231 -8.663 1060 HH22 ARG 137 2HH2 ARG 137 -4.690 -4.327 -7.579 1061 H GLY 138 HN GLY 138 -6.405 0.254 -12.909 1062 HA2 GLY 138 2HA GLY 138 -6.205 2.264 -14.025 1063 HA3 GLY 138 1HA GLY 138 -7.429 2.915 -12.944 1064 H LEU 139 HN LEU 139 -4.345 1.528 -11.950 1065 HA LEU 139 HA LEU 139 -3.465 4.213 -11.074 1066 HB2 LEU 139 2HB LEU 139 -2.944 1.582 -9.670 1067 HB3 LEU 139 1HB LEU 139 -2.436 3.176 -9.123 1068 HG LEU 139 HG LEU 139 -5.349 2.529 -9.616 1069 HD11 LEU 139 1HD1 LEU 139 -4.648 0.896 -8.000 1070 HD12 LEU 139 2HD1 LEU 139 -5.465 2.182 -7.115 1071 HD13 LEU 139 3HD1 LEU 139 -3.705 2.094 -7.115 1072 HD21 LEU 139 1HD2 LEU 139 -3.856 4.622 -8.004 1073 HD22 LEU 139 2HD2 LEU 139 -5.594 4.358 -7.878 1074 HD23 LEU 139 3HD2 LEU 139 -4.896 4.889 -9.404 1075 H SER 140 HN SER 140 -2.953 2.363 -13.474 1076 HA SER 140 HA SER 140 -0.047 2.021 -13.205 1077 HB2 SER 140 2HB SER 140 -0.167 0.650 -15.164 1078 HB3 SER 140 1HB SER 140 -1.507 0.172 -14.122 1079 HG SER 140 HG SER 140 -2.594 1.985 -15.467 1080 H THR 141 HN THR 141 -1.166 4.675 -13.348 1081 HA THR 141 HA THR 141 0.304 5.623 -15.692 1082 HB THR 141 HB THR 141 -2.055 5.395 -16.441 1083 HG1 THR 141 1HG THR 141 -1.604 8.135 -16.129 1084 HG21 THR 141 1HG2 THR 141 -2.634 6.263 -13.866 1085 HG22 THR 141 2HG2 THR 141 -3.793 6.102 -15.185 1086 HG23 THR 141 3HG2 THR 141 -3.026 7.658 -14.872 1087 H GLU 142 HN GLU 142 -0.428 5.796 -12.478 1088 HA GLU 142 HA GLU 142 -0.114 8.665 -12.146 1089 HB2 GLU 142 2HB GLU 142 0.005 7.826 -9.641 1090 HB3 GLU 142 1HB GLU 142 -1.520 7.838 -10.519 1091 HG2 GLU 142 2HG GLU 142 -1.030 5.695 -9.282 1092 HG3 GLU 142 1HG GLU 142 -1.389 5.504 -10.991 1093 H SER 143 HN SER 143 1.583 7.073 -9.679 1094 HA SER 143 HA SER 143 4.167 7.636 -11.042 1095 HB2 SER 143 2HB SER 143 3.551 7.861 -8.094 1096 HB3 SER 143 1HB SER 143 5.118 8.137 -8.838 1097 HG SER 143 HG SER 143 3.814 9.699 -10.198 1098 H ILE 144 HN ILE 144 5.145 6.440 -8.313 1099 HA ILE 144 HA ILE 144 4.683 4.035 -7.559 1100 HB ILE 144 HB ILE 144 4.244 3.255 -9.896 1101 HG12 ILE 144 2HG1 ILE 144 6.227 1.371 -9.402 1102 HG13 ILE 144 1HG1 ILE 144 5.809 2.022 -7.815 1103 HG21 ILE 144 1HG2 ILE 144 5.885 3.197 -11.506 1104 HG22 ILE 144 2HG2 ILE 144 7.174 3.007 -10.320 1105 HG23 ILE 144 3HG2 ILE 144 6.465 4.597 -10.605 1106 HD11 ILE 144 1HD1 ILE 144 3.882 0.937 -9.869 1107 HD12 ILE 144 2HD1 ILE 144 3.403 1.714 -8.360 1108 HD13 ILE 144 3HD1 ILE 144 4.293 0.195 -8.324 1109 H LEU 145 HN LEU 145 6.151 3.502 -6.176 1110 HA LEU 145 HA LEU 145 8.935 4.394 -6.667 1111 HB2 LEU 145 2HB LEU 145 7.724 5.439 -4.721 1112 HB3 LEU 145 1HB LEU 145 7.639 3.835 -3.995 1113 HG LEU 145 HG LEU 145 10.315 4.137 -4.805 1114 HD11 LEU 145 1HD1 LEU 145 10.972 6.225 -3.611 1115 HD12 LEU 145 2HD1 LEU 145 9.267 6.633 -3.437 1116 HD13 LEU 145 3HD1 LEU 145 9.994 6.544 -5.040 1117 HD21 LEU 145 1HD2 LEU 145 8.934 4.353 -2.118 1118 HD22 LEU 145 2HD2 LEU 145 10.684 4.280 -2.294 1119 HD23 LEU 145 3HD2 LEU 145 9.688 2.927 -2.826 1120 H ILE 146 HN ILE 146 10.296 2.789 -7.107 1121 HA ILE 146 HA ILE 146 9.834 0.176 -5.823 1122 HB ILE 146 HB ILE 146 11.074 0.150 -8.508 1123 HG12 ILE 146 2HG1 ILE 146 8.178 0.870 -7.992 1124 HG13 ILE 146 1HG1 ILE 146 9.341 1.739 -8.993 1125 HG21 ILE 146 1HG2 ILE 146 10.059 -1.951 -8.629 1126 HG22 ILE 146 2HG2 ILE 146 8.785 -1.512 -7.497 1127 HG23 ILE 146 3HG2 ILE 146 10.419 -1.807 -6.910 1128 HD11 ILE 146 1HD1 ILE 146 7.869 -0.800 -9.570 1129 HD12 ILE 146 2HD1 ILE 146 9.475 -0.587 -10.266 1130 HD13 ILE 146 3HD1 ILE 146 8.194 0.570 -10.630 1131 HA PRO 147 HA PRO 147 14.497 0.622 -6.343 1132 HB2 PRO 147 2HB PRO 147 15.586 2.691 -7.642 1133 HB3 PRO 147 1HB PRO 147 14.799 1.358 -8.500 1134 HG2 PRO 147 2HG PRO 147 13.863 4.120 -8.063 1135 HG3 PRO 147 1HG PRO 147 13.486 2.991 -9.373 1136 HD2 PRO 147 2HD PRO 147 11.906 3.552 -7.032 1137 HD3 PRO 147 1HD PRO 147 11.550 2.393 -8.332 1138 H ARG 148 HN ARG 148 13.481 1.429 -4.052 1139 HA ARG 148 HA ARG 148 15.508 2.861 -2.789 1140 HB2 ARG 148 2HB ARG 148 13.874 4.667 -4.117 1141 HB3 ARG 148 1HB ARG 148 13.216 4.674 -2.490 1142 HG2 ARG 148 2HG ARG 148 14.892 6.304 -2.363 1143 HG3 ARG 148 1HG ARG 148 15.705 4.877 -1.725 1144 HD2 ARG 148 2HD ARG 148 17.096 6.107 -3.384 1145 HD3 ARG 148 1HD ARG 148 16.750 4.463 -3.899 1146 HE ARG 148 HE ARG 148 14.769 6.178 -4.949 1147 HH11 ARG 148 1HH1 ARG 148 14.921 6.819 -7.122 1148 HH12 ARG 148 2HH1 ARG 148 16.441 6.721 -7.944 1149 HH21 ARG 148 1HH2 ARG 148 18.149 5.473 -5.196 1150 HH22 ARG 148 2HH2 ARG 148 18.270 5.959 -6.855 1151 H GLN 149 HN GLN 149 15.310 1.169 -1.352 1152 HA GLN 149 HA GLN 149 13.062 1.424 0.521 1153 HB2 GLN 149 2HB GLN 149 13.051 -1.088 0.743 1154 HB3 GLN 149 1HB GLN 149 12.427 -0.470 -0.783 1155 HG2 GLN 149 2HG GLN 149 14.803 -0.802 -1.709 1156 HG3 GLN 149 1HG GLN 149 15.113 -1.747 -0.253 1157 HE21 GLN 149 1HE2 GLN 149 12.063 -1.597 -2.137 1158 HE22 GLN 149 2HE2 GLN 149 12.054 -3.245 -2.543 1159 H SER 150 HN SER 150 15.042 2.686 1.388 1160 HA SER 150 HA SER 150 17.284 1.411 2.448 1161 HB2 SER 150 2HB SER 150 16.850 3.912 2.290 1162 HB3 SER 150 1HB SER 150 15.870 3.744 3.744 1163 HG SER 150 HG SER 150 17.716 2.865 4.775 1164 H GLU 151 HN GLU 151 17.332 -0.226 3.814 1165 HA GLU 151 HA GLU 151 15.347 -1.377 5.226 1166 HB2 GLU 151 2HB GLU 151 18.206 -1.082 6.153 1167 HB3 GLU 151 1HB GLU 151 17.058 -2.277 6.757 1168 HG2 GLU 151 2HG GLU 151 17.265 -3.586 4.916 1169 HG3 GLU 151 1HG GLU 151 17.272 -2.204 3.822 1170 H THR 152 HN THR 152 16.834 1.639 5.980 1171 HA THR 152 HA THR 152 15.004 2.006 8.222 1172 HB THR 152 HB THR 152 16.614 2.463 9.836 1173 HG1 THR 152 1HG THR 152 18.606 2.550 7.836 1174 HG21 THR 152 1HG2 THR 152 16.656 0.053 9.252 1175 HG22 THR 152 2HG2 THR 152 18.218 0.615 9.838 1176 HG23 THR 152 3HG2 THR 152 17.963 0.368 8.112 1177 H CYS 153 HN CYS 153 14.621 4.210 8.706 1178 HA CYS 153 HA CYS 153 14.503 5.964 6.605 1179 HB2 CYS 153 2HB CYS 153 15.005 7.247 9.223 1180 HB3 CYS 153 1HB CYS 153 13.658 7.455 8.105 1181 H SER 154 HN SER 154 15.980 6.960 5.442 1182 HA SER 154 HA SER 154 18.290 8.182 6.652 1183 HB2 SER 154 2HB SER 154 19.585 6.784 4.666 1184 HB3 SER 154 1HB SER 154 19.641 6.402 6.384 1185 HG SER 154 HG SER 154 17.430 5.501 4.964 1186 HA PRO 155 HA PRO 155 17.134 10.629 3.041 1187 HB2 PRO 155 2HB PRO 155 18.893 12.690 3.345 1188 HB3 PRO 155 1HB PRO 155 17.432 12.515 4.335 1189 HG2 PRO 155 2HG PRO 155 20.257 11.876 4.999 1190 HG3 PRO 155 1HG PRO 155 18.982 12.563 6.018 1191 HD2 PRO 155 2HD PRO 155 19.750 9.913 6.096 1192 HD3 PRO 155 1HD PRO 155 18.147 10.500 6.592 1193 H GLY 156 HN GLY 156 20.491 11.582 3.230 1194 HA2 GLY 156 2HA GLY 156 21.813 9.759 1.658 1195 HA3 GLY 156 1HA GLY 156 20.983 10.805 0.510 1196 H SER 157 HN SER 157 23.803 10.372 2.211 1197 HA SER 157 HA SER 157 25.726 11.648 2.291 1198 HB2 SER 157 2HB SER 157 24.363 14.055 1.177 1199 HB3 SER 157 1HB SER 157 25.975 13.426 0.853 1200 HG SER 157 HG SER 157 23.964 11.714 0.143 1201 H ASP 158 HN ASP 158 25.784 14.526 2.709 1202 HA ASP 158 HA ASP 158 24.306 14.861 5.228 1203 HB2 ASP 158 2HB ASP 158 27.291 15.296 4.985 1204 HB3 ASP 158 1HB ASP 158 26.307 15.547 6.426 Start of MODEL 17 1 H1 HIS 1 1HT HIS 1 -9.516 -22.299 -0.748 2 H2 HIS 1 2HT HIS 1 -10.091 -23.364 -1.940 3 H3 HIS 1 3HT HIS 1 -10.361 -23.698 -0.295 4 HA HIS 1 HA HIS 1 -12.291 -22.749 -1.646 5 HB2 HIS 1 2HB HIS 1 -11.433 -21.351 0.905 6 HB3 HIS 1 1HB HIS 1 -13.083 -21.530 0.309 7 HD1 HIS 1 1HD HIS 1 -14.086 -23.983 0.303 8 HD2 HIS 1 2HD HIS 1 -10.425 -23.600 2.259 9 HE1 HIS 1 1HE HIS 1 -13.781 -26.092 1.672 10 H HIS 2 HN HIS 2 -12.172 -21.481 -3.427 11 HA HIS 2 HA HIS 2 -11.928 -19.608 -4.732 12 HB2 HIS 2 2HB HIS 2 -11.953 -18.123 -2.096 13 HB3 HIS 2 1HB HIS 2 -12.359 -17.475 -3.686 14 HD1 HIS 2 1HD HIS 2 -13.487 -20.698 -1.978 15 HD2 HIS 2 2HD HIS 2 -15.113 -17.250 -3.665 16 HE1 HIS 2 1HE HIS 2 -16.003 -20.988 -1.916 17 H LEU 3 HN LEU 3 -10.398 -18.029 -5.452 18 HA LEU 3 HA LEU 3 -7.694 -18.650 -4.579 19 HB2 LEU 3 2HB LEU 3 -8.960 -17.520 -6.970 20 HB3 LEU 3 1HB LEU 3 -7.455 -16.718 -6.519 21 HG LEU 3 HG LEU 3 -6.292 -18.874 -6.456 22 HD11 LEU 3 1HD1 LEU 3 -7.889 -20.738 -7.632 23 HD12 LEU 3 2HD1 LEU 3 -9.078 -19.861 -6.667 24 HD13 LEU 3 3HD1 LEU 3 -7.677 -20.598 -5.887 25 HD21 LEU 3 1HD2 LEU 3 -7.903 -18.281 -8.951 26 HD22 LEU 3 2HD2 LEU 3 -6.634 -19.506 -8.912 27 HD23 LEU 3 3HD2 LEU 3 -6.237 -17.817 -8.602 28 H LEU 4 HN LEU 4 -9.830 -15.810 -4.743 29 HA LEU 4 HA LEU 4 -8.075 -13.836 -3.932 30 HB2 LEU 4 2HB LEU 4 -10.894 -14.118 -4.164 31 HB3 LEU 4 1HB LEU 4 -10.581 -13.438 -2.572 32 HG LEU 4 HG LEU 4 -9.377 -12.348 -5.133 33 HD11 LEU 4 1HD1 LEU 4 -11.384 -11.415 -5.526 34 HD12 LEU 4 2HD1 LEU 4 -11.205 -10.520 -4.016 35 HD13 LEU 4 3HD1 LEU 4 -12.037 -12.076 -4.027 36 HD21 LEU 4 1HD2 LEU 4 -8.498 -11.991 -2.574 37 HD22 LEU 4 2HD2 LEU 4 -9.700 -10.707 -2.678 38 HD23 LEU 4 3HD2 LEU 4 -8.368 -10.758 -3.827 39 H ALA 5 HN ALA 5 -6.569 -14.700 -2.497 40 HA ALA 5 HA ALA 5 -5.679 -15.380 -0.489 41 HB1 ALA 5 1HB ALA 5 -5.858 -13.735 1.035 42 HB2 ALA 5 2HB ALA 5 -7.617 -13.834 1.084 43 HB3 ALA 5 3HB ALA 5 -6.820 -12.934 -0.206 44 H SER 6 HN SER 6 -5.947 -17.385 0.134 45 HA SER 6 HA SER 6 -8.336 -18.775 0.524 46 HB2 SER 6 2HB SER 6 -6.575 -20.225 0.446 47 HB3 SER 6 1HB SER 6 -5.501 -19.121 1.297 48 HG SER 6 HG SER 6 -6.747 -21.192 2.287 49 H ASP 7 HN ASP 7 -9.517 -19.324 2.426 50 HA ASP 7 HA ASP 7 -9.673 -17.184 4.347 51 HB2 ASP 7 2HB ASP 7 -11.646 -18.446 3.415 52 HB3 ASP 7 1HB ASP 7 -11.142 -19.821 4.396 53 H GLU 8 HN GLU 8 -9.404 -20.714 4.850 54 HA GLU 8 HA GLU 8 -8.788 -20.831 7.484 55 HB2 GLU 8 2HB GLU 8 -7.571 -22.405 5.211 56 HB3 GLU 8 1HB GLU 8 -7.293 -22.800 6.908 57 HG2 GLU 8 2HG GLU 8 -10.117 -22.393 6.030 58 HG3 GLU 8 1HG GLU 8 -9.315 -23.882 5.535 59 H GLU 9 HN GLU 9 -6.468 -20.152 4.894 60 HA GLU 9 HA GLU 9 -4.887 -18.440 6.535 61 HB2 GLU 9 2HB GLU 9 -4.289 -21.212 6.709 62 HB3 GLU 9 1HB GLU 9 -3.009 -20.460 5.756 63 HG2 GLU 9 2HG GLU 9 -2.788 -18.709 7.525 64 HG3 GLU 9 1HG GLU 9 -3.967 -19.589 8.493 65 H ILE 10 HN ILE 10 -3.022 -17.571 5.308 66 HA ILE 10 HA ILE 10 -3.617 -17.620 2.429 67 HB ILE 10 HB ILE 10 -1.851 -15.734 4.001 68 HG12 ILE 10 2HG1 ILE 10 -4.554 -15.057 2.862 69 HG13 ILE 10 1HG1 ILE 10 -4.423 -15.778 4.465 70 HG21 ILE 10 1HG2 ILE 10 -2.861 -14.605 1.605 71 HG22 ILE 10 2HG2 ILE 10 -2.224 -16.197 1.194 72 HG23 ILE 10 3HG2 ILE 10 -1.188 -15.009 1.984 73 HD11 ILE 10 1HD1 ILE 10 -4.437 -13.339 4.658 74 HD12 ILE 10 2HD1 ILE 10 -3.076 -13.221 3.543 75 HD13 ILE 10 3HD1 ILE 10 -2.856 -13.962 5.131 76 H GLN 11 HN GLN 11 -2.581 -19.866 2.555 77 HA GLN 11 HA GLN 11 -0.818 -21.269 2.088 78 HB2 GLN 11 2HB GLN 11 0.158 -18.668 0.898 79 HB3 GLN 11 1HB GLN 11 1.062 -20.176 0.752 80 HG2 GLN 11 2HG GLN 11 -1.846 -20.196 0.051 81 HG3 GLN 11 1HG GLN 11 -0.717 -19.469 -1.091 82 HE21 GLN 11 1HE2 GLN 11 -1.188 -21.313 -2.578 83 HE22 GLN 11 2HE2 GLN 11 -0.452 -22.819 -2.304 84 H ASP 12 HN ASP 12 1.261 -18.467 2.488 85 HA ASP 12 HA ASP 12 2.461 -19.756 4.860 86 HB2 ASP 12 2HB ASP 12 3.555 -18.025 2.670 87 HB3 ASP 12 1HB ASP 12 4.336 -18.014 4.250 88 H VAL 13 HN VAL 13 3.072 -16.460 4.006 89 HA VAL 13 HA VAL 13 2.715 -14.478 5.100 90 HB VAL 13 HB VAL 13 0.134 -15.901 5.138 91 HG11 VAL 13 1HG1 VAL 13 0.041 -15.278 7.444 92 HG12 VAL 13 2HG1 VAL 13 -0.906 -14.087 6.558 93 HG13 VAL 13 3HG1 VAL 13 0.718 -13.680 7.109 94 HG21 VAL 13 1HG2 VAL 13 -0.617 -13.751 4.209 95 HG22 VAL 13 2HG2 VAL 13 0.835 -14.311 3.381 96 HG23 VAL 13 3HG2 VAL 13 0.947 -13.033 4.591 97 H SER 14 HN SER 14 3.225 -13.568 6.985 98 HA SER 14 HA SER 14 3.190 -13.420 9.397 99 HB2 SER 14 2HB SER 14 3.772 -16.391 9.407 100 HB3 SER 14 1HB SER 14 3.511 -15.349 10.797 101 HG SER 14 HG SER 14 1.700 -16.505 9.082 102 H GLY 15 HN GLY 15 4.960 -12.154 8.951 103 HA2 GLY 15 2HA GLY 15 7.390 -12.619 9.935 104 HA3 GLY 15 1HA GLY 15 7.530 -13.416 8.372 105 H THR 16 HN THR 16 9.234 -11.830 7.996 106 HA THR 16 HA THR 16 8.372 -9.078 7.570 107 HB THR 16 HB THR 16 11.125 -9.892 6.861 108 HG1 THR 16 1HG THR 16 11.467 -10.805 8.699 109 HG21 THR 16 1HG2 THR 16 10.041 -7.529 7.005 110 HG22 THR 16 2HG2 THR 16 11.643 -7.763 7.704 111 HG23 THR 16 3HG2 THR 16 10.222 -7.728 8.748 112 H TRP 17 HN TRP 17 8.540 -7.975 5.636 113 HA TRP 17 HA TRP 17 9.068 -9.503 3.193 114 HB2 TRP 17 2HB TRP 17 6.493 -8.063 3.844 115 HB3 TRP 17 1HB TRP 17 6.974 -8.466 2.196 116 HD1 TRP 17 1HD TRP 17 6.317 -10.220 5.576 117 HE1 TRP 17 1HE TRP 17 5.474 -12.609 5.087 118 HE3 TRP 17 3HE TRP 17 6.762 -10.283 0.500 119 HZ2 TRP 17 2HZ TRP 17 5.039 -14.316 2.828 120 HZ3 TRP 17 3HZ TRP 17 6.119 -12.291 -0.805 121 HH2 TRP 17 2HH TRP 17 5.264 -14.310 0.355 122 H TYR 18 HN TYR 18 8.730 -7.819 1.258 123 HA TYR 18 HA TYR 18 9.780 -5.188 2.074 124 HB2 TYR 18 2HB TYR 18 10.907 -6.928 -0.138 125 HB3 TYR 18 1HB TYR 18 11.418 -5.281 0.237 126 HD1 TYR 18 1HD TYR 18 10.993 -8.642 1.839 127 HD2 TYR 18 2HD TYR 18 13.154 -4.931 1.769 128 HE1 TYR 18 1HE TYR 18 12.551 -9.514 3.565 129 HE2 TYR 18 2HE TYR 18 14.714 -5.804 3.487 130 HH TYR 18 HH TYR 18 14.916 -7.457 5.111 131 H LEU 19 HN LEU 19 9.450 -3.540 0.412 132 HA LEU 19 HA LEU 19 7.111 -4.158 -1.276 133 HB2 LEU 19 2HB LEU 19 6.779 -2.347 0.360 134 HB3 LEU 19 1HB LEU 19 8.175 -1.491 -0.295 135 HG LEU 19 HG LEU 19 6.215 -2.280 -2.338 136 HD11 LEU 19 1HD1 LEU 19 4.642 -1.802 -0.514 137 HD12 LEU 19 2HD1 LEU 19 4.590 -0.505 -1.709 138 HD13 LEU 19 3HD1 LEU 19 5.457 -0.272 -0.192 139 HD21 LEU 19 1HD2 LEU 19 6.736 -0.131 -3.207 140 HD22 LEU 19 2HD2 LEU 19 8.242 -0.699 -2.492 141 HD23 LEU 19 3HD2 LEU 19 7.243 0.471 -1.631 142 H LYS 20 HN LYS 20 7.414 -4.274 -3.394 143 HA LYS 20 HA LYS 20 9.986 -3.324 -4.488 144 HB2 LYS 20 2HB LYS 20 8.039 -5.247 -5.753 145 HB3 LYS 20 1HB LYS 20 9.717 -4.963 -6.209 146 HG2 LYS 20 2HG LYS 20 10.463 -5.820 -4.015 147 HG3 LYS 20 1HG LYS 20 8.786 -6.115 -3.553 148 HD2 LYS 20 2HD LYS 20 9.158 -8.192 -4.402 149 HD3 LYS 20 1HD LYS 20 8.904 -7.407 -5.962 150 HE2 LYS 20 2HE LYS 20 11.337 -6.981 -6.132 151 HE3 LYS 20 1HE LYS 20 11.580 -7.810 -4.594 152 HZ1 LYS 20 1HZ LYS 20 11.963 -9.454 -6.149 153 HZ2 LYS 20 2HZ LYS 20 10.728 -8.923 -7.186 154 HZ3 LYS 20 3HZ LYS 20 10.340 -9.724 -5.739 155 H ALA 21 HN ALA 21 6.680 -2.590 -4.444 156 HA ALA 21 HA ALA 21 7.033 -0.436 -6.330 157 HB1 ALA 21 1HB ALA 21 5.942 -1.227 -8.149 158 HB2 ALA 21 2HB ALA 21 4.790 -2.141 -7.175 159 HB3 ALA 21 3HB ALA 21 6.385 -2.811 -7.504 160 H MET 22 HN MET 22 5.639 1.188 -5.894 161 HA MET 22 HA MET 22 3.308 0.597 -4.207 162 HB2 MET 22 2HB MET 22 5.113 1.510 -2.813 163 HB3 MET 22 1HB MET 22 5.277 2.878 -3.907 164 HG2 MET 22 2HG MET 22 2.595 2.995 -3.309 165 HG3 MET 22 1HG MET 22 3.270 2.381 -1.803 166 HE1 MET 22 1HE MET 22 3.573 5.674 -0.241 167 HE2 MET 22 2HE MET 22 3.554 3.920 -0.058 168 HE3 MET 22 3HE MET 22 2.202 4.732 -0.846 169 H THR 23 HN THR 23 1.495 1.348 -5.021 170 HA THR 23 HA THR 23 1.630 3.316 -7.201 171 HB THR 23 HB THR 23 -0.213 1.097 -6.460 172 HG1 THR 23 1HG THR 23 -0.111 1.724 -9.034 173 HG21 THR 23 1HG2 THR 23 -1.903 2.164 -8.054 174 HG22 THR 23 2HG2 THR 23 -1.074 3.685 -7.745 175 HG23 THR 23 3HG2 THR 23 -1.843 2.807 -6.420 176 H VAL 24 HN VAL 24 1.135 5.346 -6.731 177 HA VAL 24 HA VAL 24 -0.748 5.885 -4.507 178 HB VAL 24 HB VAL 24 1.324 7.928 -4.969 179 HG11 VAL 24 1HG1 VAL 24 0.519 6.520 -2.421 180 HG12 VAL 24 2HG1 VAL 24 -0.492 7.775 -3.141 181 HG13 VAL 24 3HG1 VAL 24 1.147 8.157 -2.611 182 HG21 VAL 24 1HG2 VAL 24 2.727 5.947 -5.232 183 HG22 VAL 24 2HG2 VAL 24 1.979 5.194 -3.828 184 HG23 VAL 24 3HG2 VAL 24 2.993 6.622 -3.626 185 H ASP 25 HN ASP 25 -2.530 6.581 -5.477 186 HA ASP 25 HA ASP 25 -3.127 7.575 -7.857 187 HB2 ASP 25 2HB ASP 25 -4.084 8.795 -5.259 188 HB3 ASP 25 1HB ASP 25 -4.868 9.000 -6.824 189 H ARG 26 HN ARG 26 -3.189 9.550 -8.964 190 HA ARG 26 HA ARG 26 -1.051 11.404 -8.177 191 HB2 ARG 26 2HB ARG 26 -1.620 10.193 -10.594 192 HB3 ARG 26 1HB ARG 26 -2.265 11.821 -10.802 193 HG2 ARG 26 2HG ARG 26 -0.079 12.724 -9.950 194 HG3 ARG 26 1HG ARG 26 0.549 11.076 -9.961 195 HD2 ARG 26 2HD ARG 26 1.223 11.813 -12.059 196 HD3 ARG 26 1HD ARG 26 -0.331 11.081 -12.446 197 HE ARG 26 HE ARG 26 -1.016 13.646 -11.924 198 HH11 ARG 26 1HH1 ARG 26 -0.971 15.327 -13.451 199 HH12 ARG 26 2HH1 ARG 26 0.116 15.237 -14.796 200 HH21 ARG 26 1HH2 ARG 26 1.443 12.173 -13.859 201 HH22 ARG 26 2HH2 ARG 26 1.483 13.451 -15.028 202 H GLU 27 HN GLU 27 -3.753 11.426 -6.970 203 HA GLU 27 HA GLU 27 -4.908 13.901 -8.029 204 HB2 GLU 27 2HB GLU 27 -5.880 11.628 -6.499 205 HB3 GLU 27 1HB GLU 27 -6.306 13.155 -5.726 206 HG2 GLU 27 2HG GLU 27 -7.319 13.970 -7.783 207 HG3 GLU 27 1HG GLU 27 -6.786 12.532 -8.653 208 H PHE 28 HN PHE 28 -3.247 12.598 -5.221 209 HA PHE 28 HA PHE 28 -2.802 15.362 -4.268 210 HB2 PHE 28 2HB PHE 28 -3.087 13.073 -2.341 211 HB3 PHE 28 1HB PHE 28 -3.248 14.802 -2.041 212 HD1 PHE 28 1HD PHE 28 -5.111 11.938 -2.124 213 HD2 PHE 28 2HD PHE 28 -5.083 15.859 -3.883 214 HE1 PHE 28 1HE PHE 28 -7.554 11.783 -2.508 215 HE2 PHE 28 2HE PHE 28 -7.528 15.702 -4.269 216 HZ PHE 28 HZ PHE 28 -8.764 13.664 -3.582 217 HA PRO 29 HA PRO 29 1.198 13.070 -4.744 218 HB2 PRO 29 2HB PRO 29 2.254 15.460 -5.996 219 HB3 PRO 29 1HB PRO 29 2.023 13.854 -6.704 220 HG2 PRO 29 2HG PRO 29 0.595 16.090 -7.396 221 HG3 PRO 29 1HG PRO 29 0.055 14.423 -7.644 222 HD2 PRO 29 2HD PRO 29 -0.776 16.379 -5.545 223 HD3 PRO 29 1HD PRO 29 -1.714 15.092 -6.331 224 H GLU 30 HN GLU 30 -0.005 15.261 -2.788 225 HA GLU 30 HA GLU 30 2.266 16.763 -1.913 226 HB2 GLU 30 2HB GLU 30 -0.442 16.182 -0.727 227 HB3 GLU 30 1HB GLU 30 0.778 17.100 0.155 228 HG2 GLU 30 2HG GLU 30 0.307 17.925 -2.657 229 HG3 GLU 30 1HG GLU 30 -1.002 18.254 -1.525 230 H MET 31 HN MET 31 2.683 13.826 -2.109 231 HA MET 31 HA MET 31 3.892 13.456 0.508 232 HB2 MET 31 2HB MET 31 2.104 11.313 -0.676 233 HB3 MET 31 1HB MET 31 2.918 11.286 0.887 234 HG2 MET 31 2HG MET 31 1.549 13.296 1.550 235 HG3 MET 31 1HG MET 31 0.645 13.106 0.047 236 HE1 MET 31 1HE MET 31 0.230 12.616 3.609 237 HE2 MET 31 2HE MET 31 1.730 11.723 3.371 238 HE3 MET 31 3HE MET 31 0.292 10.879 3.938 239 H ASN 32 HN ASN 32 5.975 13.142 -0.149 240 HA ASN 32 HA ASN 32 6.413 11.577 -2.619 241 HB2 ASN 32 2HB ASN 32 8.466 13.312 -1.276 242 HB3 ASN 32 1HB ASN 32 8.401 12.774 -2.954 243 HD21 ASN 32 1HD2 ASN 32 7.129 15.133 -0.658 244 HD22 ASN 32 2HD2 ASN 32 6.326 16.086 -1.811 245 H LEU 33 HN LEU 33 6.347 9.477 -1.677 246 HA LEU 33 HA LEU 33 7.778 8.667 0.587 247 HB2 LEU 33 2HB LEU 33 6.095 7.389 -1.055 248 HB3 LEU 33 1HB LEU 33 7.613 6.817 -1.747 249 HG LEU 33 HG LEU 33 6.820 6.616 1.175 250 HD11 LEU 33 1HD1 LEU 33 6.517 4.838 -1.160 251 HD12 LEU 33 2HD1 LEU 33 5.663 4.829 0.381 252 HD13 LEU 33 3HD1 LEU 33 7.249 4.075 0.250 253 HD21 LEU 33 1HD2 LEU 33 8.899 5.007 1.029 254 HD22 LEU 33 2HD2 LEU 33 9.150 6.741 1.233 255 HD23 LEU 33 3HD2 LEU 33 9.327 6.004 -0.358 256 H GLU 34 HN GLU 34 9.903 8.855 0.922 257 HA GLU 34 HA GLU 34 11.704 8.949 -1.404 258 HB2 GLU 34 2HB GLU 34 11.887 9.931 1.419 259 HB3 GLU 34 1HB GLU 34 13.356 9.677 0.474 260 HG2 GLU 34 2HG GLU 34 11.127 11.164 -0.833 261 HG3 GLU 34 1HG GLU 34 12.038 12.006 0.420 262 H SER 35 HN SER 35 10.973 7.032 1.432 263 HA SER 35 HA SER 35 12.575 4.864 0.416 264 HB2 SER 35 2HB SER 35 14.260 4.751 2.004 265 HB3 SER 35 1HB SER 35 14.132 6.490 1.775 266 HG SER 35 HG SER 35 13.378 6.674 3.736 267 H VAL 36 HN VAL 36 12.206 2.890 1.545 268 HA VAL 36 HA VAL 36 9.987 2.975 3.479 269 HB VAL 36 HB VAL 36 9.382 2.392 1.027 270 HG11 VAL 36 1HG1 VAL 36 10.351 -0.335 1.890 271 HG12 VAL 36 2HG1 VAL 36 11.395 0.755 0.976 272 HG13 VAL 36 3HG1 VAL 36 9.872 0.201 0.281 273 HG21 VAL 36 1HG2 VAL 36 7.855 2.080 2.917 274 HG22 VAL 36 2HG2 VAL 36 8.667 0.575 3.352 275 HG23 VAL 36 3HG2 VAL 36 7.760 0.684 1.844 276 H THR 37 HN THR 37 9.901 1.283 4.961 277 HA THR 37 HA THR 37 12.466 -0.141 5.273 278 HB THR 37 HB THR 37 11.865 -0.349 7.631 279 HG1 THR 37 1HG THR 37 9.498 -0.295 6.887 280 HG21 THR 37 1HG2 THR 37 11.250 2.480 6.796 281 HG22 THR 37 2HG2 THR 37 12.867 1.795 6.643 282 HG23 THR 37 3HG2 THR 37 12.112 1.930 8.231 283 HA PRO 38 HA PRO 38 10.874 -4.203 4.356 284 HB2 PRO 38 2HB PRO 38 11.626 -4.820 7.196 285 HB3 PRO 38 1HB PRO 38 11.949 -5.752 5.721 286 HG2 PRO 38 2HG PRO 38 13.815 -4.226 6.888 287 HG3 PRO 38 1HG PRO 38 13.736 -4.459 5.136 288 HD2 PRO 38 2HD PRO 38 13.161 -2.037 6.704 289 HD3 PRO 38 1HD PRO 38 13.485 -2.201 4.966 290 H MET 39 HN MET 39 8.768 -4.859 4.362 291 HA MET 39 HA MET 39 6.938 -3.808 6.301 292 HB2 MET 39 2HB MET 39 6.348 -3.953 3.918 293 HB3 MET 39 1HB MET 39 6.512 -5.705 3.978 294 HG2 MET 39 2HG MET 39 4.729 -5.619 5.851 295 HG3 MET 39 1HG MET 39 4.426 -3.972 5.308 296 HE1 MET 39 1HE MET 39 4.305 -3.345 3.013 297 HE2 MET 39 2HE MET 39 3.114 -4.066 1.937 298 HE3 MET 39 3HE MET 39 4.809 -4.525 1.793 299 H THR 40 HN THR 40 6.105 -4.795 8.017 300 HA THR 40 HA THR 40 6.911 -7.583 8.476 301 HB THR 40 HB THR 40 5.895 -5.752 10.622 302 HG1 THR 40 1HG THR 40 8.362 -5.557 10.860 303 HG21 THR 40 1HG2 THR 40 7.129 -7.207 12.063 304 HG22 THR 40 2HG2 THR 40 7.974 -7.943 10.702 305 HG23 THR 40 3HG2 THR 40 6.254 -8.250 10.941 306 H LEU 41 HN LEU 41 5.310 -8.884 7.764 307 HA LEU 41 HA LEU 41 2.514 -8.169 8.344 308 HB2 LEU 41 2HB LEU 41 3.852 -9.712 6.277 309 HB3 LEU 41 1HB LEU 41 2.554 -10.637 7.029 310 HG LEU 41 HG LEU 41 1.087 -8.534 6.705 311 HD11 LEU 41 1HD1 LEU 41 3.430 -7.912 4.886 312 HD12 LEU 41 2HD1 LEU 41 2.832 -6.920 6.218 313 HD13 LEU 41 3HD1 LEU 41 1.855 -7.129 4.766 314 HD21 LEU 41 1HD2 LEU 41 0.849 -10.569 5.414 315 HD22 LEU 41 2HD2 LEU 41 2.145 -10.076 4.327 316 HD23 LEU 41 3HD2 LEU 41 0.627 -9.172 4.364 317 H THR 42 HN THR 42 1.931 -8.753 10.359 318 HA THR 42 HA THR 42 2.849 -11.354 11.385 319 HB THR 42 HB THR 42 2.981 -10.408 13.426 320 HG1 THR 42 1HG THR 42 1.143 -8.825 13.947 321 HG21 THR 42 1HG2 THR 42 3.314 -8.031 13.474 322 HG22 THR 42 2HG2 THR 42 2.298 -7.804 12.054 323 HG23 THR 42 3HG2 THR 42 3.865 -8.593 11.896 324 H THR 43 HN THR 43 1.417 -12.955 11.674 325 HA THR 43 HA THR 43 -1.374 -12.400 10.939 326 HB THR 43 HB THR 43 -0.073 -15.100 11.258 327 HG1 THR 43 1HG THR 43 0.484 -14.952 9.157 328 HG21 THR 43 1HG2 THR 43 -2.465 -14.199 9.635 329 HG22 THR 43 2HG2 THR 43 -2.592 -14.859 11.270 330 HG23 THR 43 3HG2 THR 43 -1.956 -15.857 9.959 331 H LEU 44 HN LEU 44 -2.636 -11.913 12.634 332 HA LEU 44 HA LEU 44 -2.033 -12.954 15.253 333 HB2 LEU 44 2HB LEU 44 -4.553 -11.463 14.674 334 HB3 LEU 44 1HB LEU 44 -3.483 -11.360 16.071 335 HG LEU 44 HG LEU 44 -2.904 -10.279 13.290 336 HD11 LEU 44 1HD1 LEU 44 -2.727 -8.149 14.878 337 HD12 LEU 44 2HD1 LEU 44 -3.858 -9.081 15.856 338 HD13 LEU 44 3HD1 LEU 44 -4.269 -8.659 14.194 339 HD21 LEU 44 1HD2 LEU 44 -0.788 -10.866 14.072 340 HD22 LEU 44 2HD2 LEU 44 -1.237 -10.632 15.761 341 HD23 LEU 44 3HD2 LEU 44 -0.951 -9.235 14.724 342 H GLU 45 HN GLU 45 -2.820 -14.735 16.079 343 HA GLU 45 HA GLU 45 -4.516 -16.495 14.672 344 HB2 GLU 45 2HB GLU 45 -4.526 -17.837 16.666 345 HB3 GLU 45 1HB GLU 45 -2.919 -17.122 16.528 346 HG2 GLU 45 2HG GLU 45 -3.827 -15.226 18.015 347 HG3 GLU 45 1HG GLU 45 -5.173 -16.309 18.364 348 H GLY 46 HN GLY 46 -5.233 -13.592 16.027 349 HA2 GLY 46 2HA GLY 46 -8.075 -14.314 16.300 350 HA3 GLY 46 1HA GLY 46 -7.292 -13.335 17.535 351 H GLY 47 HN GLY 47 -5.920 -11.410 16.356 352 HA2 GLY 47 2HA GLY 47 -7.887 -9.680 15.339 353 HA3 GLY 47 1HA GLY 47 -6.160 -9.368 15.381 354 H ASN 48 HN ASN 48 -6.073 -12.059 13.734 355 HA ASN 48 HA ASN 48 -6.344 -12.739 11.534 356 HB2 ASN 48 2HB ASN 48 -7.097 -9.916 10.784 357 HB3 ASN 48 1HB ASN 48 -7.249 -11.366 9.811 358 HD21 ASN 48 1HD2 ASN 48 -8.779 -9.532 12.397 359 HD22 ASN 48 2HD2 ASN 48 -10.128 -10.548 12.560 360 H LEU 49 HN LEU 49 -5.445 -9.734 10.059 361 HA LEU 49 HA LEU 49 -2.606 -10.559 10.324 362 HB2 LEU 49 2HB LEU 49 -4.231 -10.422 8.008 363 HB3 LEU 49 1HB LEU 49 -3.046 -9.121 7.911 364 HG LEU 49 HG LEU 49 -2.373 -12.017 8.502 365 HD11 LEU 49 1HD1 LEU 49 -3.092 -11.920 6.229 366 HD12 LEU 49 2HD1 LEU 49 -1.332 -11.831 6.167 367 HD13 LEU 49 3HD1 LEU 49 -2.295 -10.370 5.967 368 HD21 LEU 49 1HD2 LEU 49 -0.307 -11.261 9.003 369 HD22 LEU 49 2HD2 LEU 49 -0.925 -9.614 8.910 370 HD23 LEU 49 3HD2 LEU 49 -0.228 -10.372 7.484 371 H GLU 50 HN GLU 50 -1.154 -9.087 10.838 372 HA GLU 50 HA GLU 50 -1.984 -6.260 10.862 373 HB2 GLU 50 2HB GLU 50 -1.767 -6.905 13.143 374 HB3 GLU 50 1HB GLU 50 -0.299 -7.826 12.816 375 HG2 GLU 50 2HG GLU 50 1.027 -5.954 12.749 376 HG3 GLU 50 1HG GLU 50 -0.262 -4.933 12.112 377 H ALA 51 HN ALA 51 -0.838 -4.998 9.593 378 HA ALA 51 HA ALA 51 1.804 -5.959 8.671 379 HB1 ALA 51 1HB ALA 51 0.785 -5.865 6.656 380 HB2 ALA 51 2HB ALA 51 1.048 -4.124 6.800 381 HB3 ALA 51 3HB ALA 51 -0.510 -4.823 7.248 382 H LYS 52 HN LYS 52 3.459 -4.798 9.394 383 HA LYS 52 HA LYS 52 2.985 -1.965 10.112 384 HB2 LYS 52 2HB LYS 52 5.011 -3.750 11.456 385 HB3 LYS 52 1HB LYS 52 4.441 -2.173 11.983 386 HG2 LYS 52 2HG LYS 52 2.518 -4.483 11.725 387 HG3 LYS 52 1HG LYS 52 3.502 -4.288 13.169 388 HD2 LYS 52 2HD LYS 52 2.152 -1.821 12.278 389 HD3 LYS 52 1HD LYS 52 1.067 -3.107 12.802 390 HE2 LYS 52 2HE LYS 52 2.257 -3.296 14.924 391 HE3 LYS 52 1HE LYS 52 3.432 -2.088 14.401 392 HZ1 LYS 52 1HZ LYS 52 1.597 -1.241 15.848 393 HZ2 LYS 52 2HZ LYS 52 0.520 -1.554 14.570 394 HZ3 LYS 52 3HZ LYS 52 1.775 -0.425 14.372 395 H VAL 53 HN VAL 53 4.083 -0.616 8.828 396 HA VAL 53 HA VAL 53 6.829 -1.306 8.105 397 HB VAL 53 HB VAL 53 5.438 -2.103 6.240 398 HG11 VAL 53 1HG1 VAL 53 4.008 -0.653 5.006 399 HG12 VAL 53 2HG1 VAL 53 4.571 0.765 5.896 400 HG13 VAL 53 3HG1 VAL 53 3.581 -0.451 6.705 401 HG21 VAL 53 1HG2 VAL 53 7.029 -1.392 4.793 402 HG22 VAL 53 2HG2 VAL 53 7.643 -0.396 6.112 403 HG23 VAL 53 3HG2 VAL 53 6.508 0.285 4.946 404 H THR 54 HN THR 54 8.123 0.451 7.805 405 HA THR 54 HA THR 54 6.923 3.035 8.531 406 HB THR 54 HB THR 54 9.840 2.318 8.664 407 HG1 THR 54 1HG THR 54 9.426 1.216 10.385 408 HG21 THR 54 1HG2 THR 54 9.366 4.686 8.745 409 HG22 THR 54 2HG2 THR 54 9.813 4.150 10.364 410 HG23 THR 54 3HG2 THR 54 8.120 4.437 9.969 411 H MET 55 HN MET 55 6.919 4.624 7.128 412 HA MET 55 HA MET 55 8.549 4.300 4.683 413 HB2 MET 55 2HB MET 55 6.472 6.200 4.265 414 HB3 MET 55 1HB MET 55 6.720 4.659 3.462 415 HG2 MET 55 2HG MET 55 5.602 3.631 5.591 416 HG3 MET 55 1HG MET 55 5.033 5.282 5.876 417 HE1 MET 55 1HE MET 55 4.216 6.708 3.899 418 HE2 MET 55 2HE MET 55 3.219 6.120 2.571 419 HE3 MET 55 3HE MET 55 4.974 5.989 2.470 420 H LEU 56 HN LEU 56 9.447 6.097 3.740 421 HA LEU 56 HA LEU 56 9.991 8.282 5.649 422 HB2 LEU 56 2HB LEU 56 12.030 7.120 4.941 423 HB3 LEU 56 1HB LEU 56 11.600 7.353 3.253 424 HG LEU 56 HG LEU 56 11.663 9.891 3.741 425 HD11 LEU 56 1HD1 LEU 56 12.209 10.631 5.798 426 HD12 LEU 56 2HD1 LEU 56 13.601 9.554 5.879 427 HD13 LEU 56 3HD1 LEU 56 12.015 8.981 6.377 428 HD21 LEU 56 1HD2 LEU 56 13.441 8.586 2.538 429 HD22 LEU 56 2HD2 LEU 56 14.258 8.366 4.082 430 HD23 LEU 56 3HD2 LEU 56 14.059 9.984 3.412 431 H ILE 57 HN ILE 57 8.099 9.394 5.188 432 HA ILE 57 HA ILE 57 7.529 10.174 2.459 433 HB ILE 57 HB ILE 57 6.157 10.730 5.091 434 HG12 ILE 57 2HG1 ILE 57 6.172 8.428 3.751 435 HG13 ILE 57 1HG1 ILE 57 4.699 9.026 4.506 436 HG21 ILE 57 1HG2 ILE 57 4.309 11.551 3.484 437 HG22 ILE 57 2HG2 ILE 57 5.606 11.700 2.292 438 HG23 ILE 57 3HG2 ILE 57 5.669 12.634 3.787 439 HD11 ILE 57 1HD1 ILE 57 3.820 9.801 2.450 440 HD12 ILE 57 2HD1 ILE 57 4.543 8.250 2.041 441 HD13 ILE 57 3HD1 ILE 57 5.391 9.740 1.652 442 H SER 58 HN SER 58 8.372 11.851 1.557 443 HA SER 58 HA SER 58 9.674 13.760 1.302 444 HB2 SER 58 2HB SER 58 7.506 14.801 3.134 445 HB3 SER 58 1HB SER 58 8.454 15.740 1.983 446 HG SER 58 HG SER 58 6.327 15.015 1.250 447 H GLY 59 HN GLY 59 10.992 12.255 3.175 448 HA2 GLY 59 2HA GLY 59 12.749 12.605 4.645 449 HA3 GLY 59 1HA GLY 59 12.296 14.302 4.730 450 H ARG 60 HN ARG 60 9.766 12.071 5.315 451 HA ARG 60 HA ARG 60 10.036 12.473 8.237 452 HB2 ARG 60 2HB ARG 60 7.429 12.234 6.734 453 HB3 ARG 60 1HB ARG 60 7.663 12.710 8.414 454 HG2 ARG 60 2HG ARG 60 8.781 14.763 7.748 455 HG3 ARG 60 1HG ARG 60 8.743 14.285 6.053 456 HD2 ARG 60 2HD ARG 60 6.881 15.633 6.089 457 HD3 ARG 60 1HD ARG 60 6.129 14.106 6.537 458 HE ARG 60 HE ARG 60 5.788 14.959 8.683 459 HH11 ARG 60 1HH1 ARG 60 5.817 16.651 10.203 460 HH12 ARG 60 2HH1 ARG 60 6.783 18.057 9.908 461 HH21 ARG 60 1HH2 ARG 60 7.987 16.916 6.862 462 HH22 ARG 60 2HH2 ARG 60 8.011 18.207 8.017 463 H CYS 61 HN CYS 61 10.203 10.650 9.368 464 HA CYS 61 HA CYS 61 9.760 8.081 8.067 465 HB2 CYS 61 2HB CYS 61 11.696 8.750 9.703 466 HB3 CYS 61 1HB CYS 61 10.504 8.433 10.962 467 H GLN 62 HN GLN 62 7.630 7.593 7.892 468 HA GLN 62 HA GLN 62 5.916 8.004 10.261 469 HB2 GLN 62 2HB GLN 62 5.049 7.458 7.422 470 HB3 GLN 62 1HB GLN 62 4.040 7.989 8.769 471 HG2 GLN 62 2HG GLN 62 6.331 9.562 7.557 472 HG3 GLN 62 1HG GLN 62 4.617 9.885 7.299 473 HE21 GLN 62 1HE2 GLN 62 3.701 9.447 9.999 474 HE22 GLN 62 2HE2 GLN 62 4.349 10.675 10.974 475 H GLU 63 HN GLU 63 5.594 6.294 11.482 476 HA GLU 63 HA GLU 63 5.987 3.592 10.530 477 HB2 GLU 63 2HB GLU 63 5.300 2.961 12.830 478 HB3 GLU 63 1HB GLU 63 6.591 4.161 12.833 479 HG2 GLU 63 2HG GLU 63 5.267 5.375 14.202 480 HG3 GLU 63 1HG GLU 63 4.288 5.711 12.776 481 H VAL 64 HN VAL 64 4.500 2.562 9.368 482 HA VAL 64 HA VAL 64 1.676 3.360 9.661 483 HB VAL 64 HB VAL 64 2.933 1.654 7.511 484 HG11 VAL 64 1HG1 VAL 64 0.314 3.176 7.690 485 HG12 VAL 64 2HG1 VAL 64 0.498 1.422 7.780 486 HG13 VAL 64 3HG1 VAL 64 0.878 2.276 6.280 487 HG21 VAL 64 1HG2 VAL 64 4.025 3.749 7.317 488 HG22 VAL 64 2HG2 VAL 64 2.566 4.643 7.749 489 HG23 VAL 64 3HG2 VAL 64 2.678 3.846 6.181 490 H LYS 65 HN LYS 65 0.108 1.918 10.242 491 HA LYS 65 HA LYS 65 0.860 -0.887 10.565 492 HB2 LYS 65 2HB LYS 65 0.005 -1.026 12.792 493 HB3 LYS 65 1HB LYS 65 1.114 0.341 12.773 494 HG2 LYS 65 2HG LYS 65 -0.619 1.449 13.731 495 HG3 LYS 65 1HG LYS 65 -1.193 1.583 12.078 496 HD2 LYS 65 2HD LYS 65 -2.279 -0.783 12.597 497 HD3 LYS 65 1HD LYS 65 -2.126 -0.239 14.267 498 HE2 LYS 65 2HE LYS 65 -3.733 0.968 12.028 499 HE3 LYS 65 1HE LYS 65 -4.250 0.549 13.662 500 HZ1 LYS 65 1HZ LYS 65 -2.395 2.746 12.923 501 HZ2 LYS 65 2HZ LYS 65 -2.825 2.323 14.510 502 HZ3 LYS 65 3HZ LYS 65 -4.000 2.926 13.441 503 H ALA 66 HN ALA 66 -0.626 -2.168 9.836 504 HA ALA 66 HA ALA 66 -3.373 -1.179 9.476 505 HB1 ALA 66 1HB ALA 66 -3.404 -1.574 7.239 506 HB2 ALA 66 2HB ALA 66 -2.338 -2.973 7.367 507 HB3 ALA 66 3HB ALA 66 -1.661 -1.343 7.383 508 H VAL 67 HN VAL 67 -4.868 -2.544 10.191 509 HA VAL 67 HA VAL 67 -4.077 -5.326 10.768 510 HB VAL 67 HB VAL 67 -6.541 -4.168 11.958 511 HG11 VAL 67 1HG1 VAL 67 -5.743 -6.511 12.303 512 HG12 VAL 67 2HG1 VAL 67 -5.847 -5.598 13.809 513 HG13 VAL 67 3HG1 VAL 67 -4.278 -5.868 13.046 514 HG21 VAL 67 1HG2 VAL 67 -5.003 -3.301 13.847 515 HG22 VAL 67 2HG2 VAL 67 -5.124 -2.308 12.395 516 HG23 VAL 67 3HG2 VAL 67 -3.714 -3.339 12.645 517 H LEU 68 HN LEU 68 -4.746 -6.665 9.209 518 HA LEU 68 HA LEU 68 -7.037 -5.960 7.605 519 HB2 LEU 68 2HB LEU 68 -5.369 -8.461 7.449 520 HB3 LEU 68 1HB LEU 68 -6.312 -7.715 6.166 521 HG LEU 68 HG LEU 68 -3.844 -6.540 7.476 522 HD11 LEU 68 1HD1 LEU 68 -3.644 -8.456 5.780 523 HD12 LEU 68 2HD1 LEU 68 -2.749 -6.985 5.417 524 HD13 LEU 68 3HD1 LEU 68 -4.272 -7.321 4.588 525 HD21 LEU 68 1HD2 LEU 68 -4.253 -4.939 5.402 526 HD22 LEU 68 2HD2 LEU 68 -5.087 -4.649 6.931 527 HD23 LEU 68 3HD2 LEU 68 -5.925 -5.460 5.608 528 H GLU 69 HN GLU 69 -8.696 -6.148 9.251 529 HA GLU 69 HA GLU 69 -9.157 -8.564 10.654 530 HB2 GLU 69 2HB GLU 69 -11.106 -6.376 9.900 531 HB3 GLU 69 1HB GLU 69 -11.373 -7.618 11.124 532 HG2 GLU 69 2HG GLU 69 -8.853 -6.115 11.436 533 HG3 GLU 69 1HG GLU 69 -10.311 -5.148 11.641 534 H LYS 70 HN LYS 70 -9.939 -10.447 9.932 535 HA LYS 70 HA LYS 70 -10.636 -10.844 7.210 536 HB2 LYS 70 2HB LYS 70 -9.744 -12.568 8.860 537 HB3 LYS 70 1HB LYS 70 -11.386 -12.667 9.496 538 HG2 LYS 70 2HG LYS 70 -12.173 -13.149 7.146 539 HG3 LYS 70 1HG LYS 70 -10.477 -13.265 6.670 540 HD2 LYS 70 2HD LYS 70 -10.800 -15.474 7.193 541 HD3 LYS 70 1HD LYS 70 -10.432 -14.890 8.818 542 HE2 LYS 70 2HE LYS 70 -13.009 -14.410 8.937 543 HE3 LYS 70 1HE LYS 70 -13.101 -15.574 7.614 544 HZ1 LYS 70 1HZ LYS 70 -12.825 -16.089 10.342 545 HZ2 LYS 70 2HZ LYS 70 -11.385 -16.583 9.588 546 HZ3 LYS 70 3HZ LYS 70 -12.878 -17.207 9.068 547 H THR 71 HN THR 71 -12.573 -10.902 6.181 548 HA THR 71 HA THR 71 -14.958 -10.170 7.774 549 HB THR 71 HB THR 71 -15.839 -9.121 5.766 550 HG1 THR 71 1HG THR 71 -14.801 -9.249 3.864 551 HG21 THR 71 1HG2 THR 71 -13.416 -7.750 5.397 552 HG22 THR 71 2HG2 THR 71 -13.367 -8.335 7.059 553 HG23 THR 71 3HG2 THR 71 -14.709 -7.327 6.518 554 H ASP 72 HN ASP 72 -16.963 -10.717 6.079 555 HA ASP 72 HA ASP 72 -17.073 -13.600 6.170 556 HB2 ASP 72 2HB ASP 72 -18.964 -11.375 5.826 557 HB3 ASP 72 1HB ASP 72 -19.363 -12.817 4.894 558 H GLU 73 HN GLU 73 -15.673 -11.602 3.989 559 HA GLU 73 HA GLU 73 -16.334 -13.382 1.719 560 HB2 GLU 73 2HB GLU 73 -16.689 -10.596 1.906 561 HB3 GLU 73 1HB GLU 73 -15.287 -10.844 0.863 562 HG2 GLU 73 2HG GLU 73 -16.599 -12.481 -0.473 563 HG3 GLU 73 1HG GLU 73 -18.008 -12.137 0.532 564 HA PRO 74 HA PRO 74 -11.898 -14.280 2.540 565 HB2 PRO 74 2HB PRO 74 -12.336 -15.714 -0.051 566 HB3 PRO 74 1HB PRO 74 -11.510 -16.268 1.419 567 HG2 PRO 74 2HG PRO 74 -13.961 -17.102 0.807 568 HG3 PRO 74 1HG PRO 74 -13.474 -16.800 2.484 569 HD2 PRO 74 2HD PRO 74 -15.270 -15.199 0.729 570 HD3 PRO 74 1HD PRO 74 -15.264 -15.352 2.502 571 H GLY 75 HN GLY 75 -10.282 -12.947 1.985 572 HA2 GLY 75 2HA GLY 75 -8.784 -11.903 0.477 573 HA3 GLY 75 1HA GLY 75 -9.998 -12.039 -0.787 574 H LYS 76 HN LYS 76 -11.537 -10.968 1.900 575 HA LYS 76 HA LYS 76 -11.155 -8.120 1.216 576 HB2 LYS 76 2HB LYS 76 -13.345 -8.865 0.437 577 HB3 LYS 76 1HB LYS 76 -13.701 -9.552 2.017 578 HG2 LYS 76 2HG LYS 76 -13.672 -7.360 3.055 579 HG3 LYS 76 1HG LYS 76 -13.126 -6.614 1.554 580 HD2 LYS 76 2HD LYS 76 -15.643 -8.233 1.505 581 HD3 LYS 76 1HD LYS 76 -15.698 -6.621 2.221 582 HE2 LYS 76 2HE LYS 76 -15.238 -5.562 0.222 583 HE3 LYS 76 1HE LYS 76 -14.330 -6.932 -0.416 584 HZ1 LYS 76 1HZ LYS 76 -16.155 -7.789 -1.322 585 HZ2 LYS 76 2HZ LYS 76 -16.904 -6.293 -1.030 586 HZ3 LYS 76 3HZ LYS 76 -17.076 -7.564 0.084 587 H TYR 77 HN TYR 77 -10.044 -7.243 2.849 588 HA TYR 77 HA TYR 77 -10.792 -8.034 5.600 589 HB2 TYR 77 2HB TYR 77 -8.175 -6.840 4.682 590 HB3 TYR 77 1HB TYR 77 -8.575 -7.404 6.305 591 HD1 TYR 77 1HD TYR 77 -8.019 -8.485 2.795 592 HD2 TYR 77 2HD TYR 77 -8.513 -9.728 6.873 593 HE1 TYR 77 1HE TYR 77 -7.293 -10.772 2.184 594 HE2 TYR 77 2HE TYR 77 -7.785 -12.017 6.263 595 HH TYR 77 HH TYR 77 -7.338 -13.408 4.558 596 H THR 78 HN THR 78 -10.736 -6.367 7.209 597 HA THR 78 HA THR 78 -11.165 -3.675 6.092 598 HB THR 78 HB THR 78 -12.771 -3.624 8.256 599 HG1 THR 78 1HG THR 78 -13.706 -5.975 7.328 600 HG21 THR 78 1HG2 THR 78 -13.529 -2.855 6.153 601 HG22 THR 78 2HG2 THR 78 -14.619 -4.182 6.562 602 HG23 THR 78 3HG2 THR 78 -13.310 -4.440 5.405 603 H ALA 79 HN ALA 79 -10.678 -1.928 7.461 604 HA ALA 79 HA ALA 79 -8.579 -2.541 9.393 605 HB1 ALA 79 1HB ALA 79 -9.547 0.069 8.199 606 HB2 ALA 79 2HB ALA 79 -8.076 -0.808 7.774 607 HB3 ALA 79 3HB ALA 79 -8.231 -0.064 9.366 608 H ASP 80 HN ASP 80 -8.576 -1.550 11.468 609 HA ASP 80 HA ASP 80 -10.612 -2.069 13.151 610 HB2 ASP 80 2HB ASP 80 -8.643 0.210 13.276 611 HB3 ASP 80 1HB ASP 80 -9.733 -0.182 14.605 612 H GLY 81 HN GLY 81 -10.627 0.449 10.820 613 HA2 GLY 81 2HA GLY 81 -12.819 1.890 12.139 614 HA3 GLY 81 1HA GLY 81 -11.972 2.399 10.681 615 H GLY 82 HN GLY 82 -12.149 -0.054 9.257 616 HA2 GLY 82 2HA GLY 82 -13.712 -1.484 8.202 617 HA3 GLY 82 1HA GLY 82 -15.018 -0.605 8.994 618 H LYS 83 HN LYS 83 -13.003 1.730 7.960 619 HA LYS 83 HA LYS 83 -14.627 2.266 5.586 620 HB2 LYS 83 2HB LYS 83 -12.491 4.024 6.812 621 HB3 LYS 83 1HB LYS 83 -13.787 4.504 5.714 622 HG2 LYS 83 2HG LYS 83 -14.157 3.448 8.534 623 HG3 LYS 83 1HG LYS 83 -14.344 5.127 8.029 624 HD2 LYS 83 2HD LYS 83 -16.028 4.081 6.276 625 HD3 LYS 83 1HD LYS 83 -16.104 2.771 7.455 626 HE2 LYS 83 2HE LYS 83 -17.844 4.317 8.040 627 HE3 LYS 83 1HE LYS 83 -16.556 4.536 9.224 628 HZ1 LYS 83 1HZ LYS 83 -17.672 6.494 7.706 629 HZ2 LYS 83 2HZ LYS 83 -16.213 6.168 6.898 630 HZ3 LYS 83 3HZ LYS 83 -16.200 6.606 8.539 631 H HIS 84 HN HIS 84 -11.766 0.763 6.365 632 HA HIS 84 HA HIS 84 -10.592 1.286 3.721 633 HB2 HIS 84 2HB HIS 84 -9.382 1.561 6.199 634 HB3 HIS 84 1HB HIS 84 -8.846 -0.028 5.648 635 HD1 HIS 84 1HD HIS 84 -9.254 3.441 4.127 636 HD2 HIS 84 2HD HIS 84 -6.693 0.165 3.930 637 HE1 HIS 84 1HE HIS 84 -7.379 4.099 2.557 638 H VAL 85 HN VAL 85 -10.846 -0.337 2.362 639 HA VAL 85 HA VAL 85 -11.249 -3.039 3.485 640 HB VAL 85 HB VAL 85 -12.009 -2.200 0.710 641 HG11 VAL 85 1HG1 VAL 85 -11.933 -4.596 1.180 642 HG12 VAL 85 2HG1 VAL 85 -13.607 -4.075 0.984 643 HG13 VAL 85 3HG1 VAL 85 -12.960 -4.369 2.597 644 HG21 VAL 85 1HG2 VAL 85 -13.350 -0.686 1.835 645 HG22 VAL 85 2HG2 VAL 85 -13.360 -1.644 3.316 646 HG23 VAL 85 3HG2 VAL 85 -14.373 -2.117 1.951 647 H ALA 86 HN ALA 86 -9.267 -3.946 3.483 648 HA ALA 86 HA ALA 86 -7.518 -3.584 1.210 649 HB1 ALA 86 1HB ALA 86 -6.082 -3.463 2.923 650 HB2 ALA 86 2HB ALA 86 -6.147 -5.224 2.880 651 HB3 ALA 86 3HB ALA 86 -7.166 -4.329 4.010 652 H TYR 87 HN TYR 87 -6.762 -5.128 -0.095 653 HA TYR 87 HA TYR 87 -8.001 -7.797 0.137 654 HB2 TYR 87 2HB TYR 87 -7.452 -6.226 -2.397 655 HB3 TYR 87 1HB TYR 87 -8.032 -7.886 -2.341 656 HD1 TYR 87 1HD TYR 87 -8.864 -4.406 -1.286 657 HD2 TYR 87 2HD TYR 87 -10.321 -8.363 -2.098 658 HE1 TYR 87 1HE TYR 87 -11.197 -3.580 -1.116 659 HE2 TYR 87 2HE TYR 87 -12.655 -7.538 -1.929 660 HH TYR 87 HH TYR 87 -13.645 -5.104 -0.501 661 H ILE 88 HN ILE 88 -6.567 -9.410 0.123 662 HA ILE 88 HA ILE 88 -3.763 -8.799 -0.598 663 HB ILE 88 HB ILE 88 -4.583 -11.142 1.092 664 HG12 ILE 88 2HG1 ILE 88 -4.077 -8.301 2.032 665 HG13 ILE 88 1HG1 ILE 88 -5.608 -9.168 2.143 666 HG21 ILE 88 1HG2 ILE 88 -2.349 -11.291 1.547 667 HG22 ILE 88 2HG2 ILE 88 -2.143 -9.539 1.610 668 HG23 ILE 88 3HG2 ILE 88 -2.179 -10.371 0.054 669 HD11 ILE 88 1HD1 ILE 88 -3.146 -9.466 3.765 670 HD12 ILE 88 2HD1 ILE 88 -3.976 -10.965 3.343 671 HD13 ILE 88 3HD1 ILE 88 -4.834 -9.702 4.225 672 H ILE 89 HN ILE 89 -3.227 -9.567 -2.539 673 HA ILE 89 HA ILE 89 -4.390 -12.147 -3.378 674 HB ILE 89 HB ILE 89 -3.181 -10.576 -5.502 675 HG12 ILE 89 2HG1 ILE 89 -3.976 -8.675 -4.112 676 HG13 ILE 89 1HG1 ILE 89 -4.904 -8.823 -5.601 677 HG21 ILE 89 1HG2 ILE 89 -5.956 -11.705 -5.044 678 HG22 ILE 89 2HG2 ILE 89 -4.627 -12.510 -5.876 679 HG23 ILE 89 3HG2 ILE 89 -5.358 -11.067 -6.575 680 HD11 ILE 89 1HD1 ILE 89 -6.096 -10.433 -3.519 681 HD12 ILE 89 2HD1 ILE 89 -6.806 -9.118 -4.451 682 HD13 ILE 89 3HD1 ILE 89 -5.907 -8.770 -2.973 683 H ARG 90 HN ARG 90 -3.014 -13.514 -4.643 684 HA ARG 90 HA ARG 90 -0.186 -13.304 -3.834 685 HB2 ARG 90 2HB ARG 90 -0.844 -15.823 -5.076 686 HB3 ARG 90 1HB ARG 90 -0.240 -15.511 -3.453 687 HG2 ARG 90 2HG ARG 90 -2.354 -16.595 -3.185 688 HG3 ARG 90 1HG ARG 90 -2.622 -14.895 -2.807 689 HD2 ARG 90 2HD ARG 90 -4.267 -14.924 -4.350 690 HD3 ARG 90 1HD ARG 90 -3.006 -15.058 -5.571 691 HE ARG 90 HE ARG 90 -4.679 -17.227 -4.549 692 HH11 ARG 90 1HH1 ARG 90 -4.559 -19.142 -5.752 693 HH12 ARG 90 2HH1 ARG 90 -3.334 -19.327 -6.963 694 HH21 ARG 90 1HH2 ARG 90 -1.948 -16.198 -6.427 695 HH22 ARG 90 2HH2 ARG 90 -1.859 -17.665 -7.342 696 H SER 91 HN SER 91 0.867 -12.191 -5.375 697 HA SER 91 HA SER 91 0.320 -11.797 -8.004 698 HB2 SER 91 2HB SER 91 2.396 -11.104 -6.496 699 HB3 SER 91 1HB SER 91 3.157 -12.450 -7.338 700 HG SER 91 HG SER 91 2.580 -11.453 -9.298 701 H HIS 92 HN HIS 92 1.319 -12.786 -9.967 702 HA HIS 92 HA HIS 92 0.802 -15.626 -9.928 703 HB2 HIS 92 2HB HIS 92 0.828 -15.537 -12.238 704 HB3 HIS 92 1HB HIS 92 0.405 -13.866 -11.860 705 HD1 HIS 92 1HD HIS 92 2.383 -12.106 -11.942 706 HD2 HIS 92 2HD HIS 92 3.298 -15.854 -13.514 707 HE1 HIS 92 1HE HIS 92 4.501 -11.822 -13.281 708 H VAL 93 HN VAL 93 3.394 -13.695 -9.147 709 HA VAL 93 HA VAL 93 5.413 -15.700 -9.884 710 HB VAL 93 HB VAL 93 5.778 -12.938 -8.670 711 HG11 VAL 93 1HG1 VAL 93 8.115 -13.380 -9.769 712 HG12 VAL 93 2HG1 VAL 93 7.644 -15.079 -9.667 713 HG13 VAL 93 3HG1 VAL 93 7.752 -14.104 -8.200 714 HG21 VAL 93 1HG2 VAL 93 6.698 -12.627 -11.138 715 HG22 VAL 93 2HG2 VAL 93 4.984 -12.417 -10.782 716 HG23 VAL 93 3HG2 VAL 93 5.561 -13.927 -11.485 717 H LYS 94 HN LYS 94 6.872 -16.474 -8.194 718 HA LYS 94 HA LYS 94 5.422 -17.080 -5.795 719 HB2 LYS 94 2HB LYS 94 7.371 -18.393 -7.177 720 HB3 LYS 94 1HB LYS 94 8.314 -17.694 -5.866 721 HG2 LYS 94 2HG LYS 94 6.114 -18.697 -4.514 722 HG3 LYS 94 1HG LYS 94 6.345 -19.884 -5.796 723 HD2 LYS 94 2HD LYS 94 8.392 -18.952 -3.775 724 HD3 LYS 94 1HD LYS 94 7.661 -20.552 -3.882 725 HE2 LYS 94 2HE LYS 94 8.671 -20.237 -6.409 726 HE3 LYS 94 1HE LYS 94 9.871 -19.386 -5.438 727 HZ1 LYS 94 1HZ LYS 94 9.706 -22.088 -5.786 728 HZ2 LYS 94 2HZ LYS 94 9.049 -21.844 -4.238 729 HZ3 LYS 94 3HZ LYS 94 10.614 -21.288 -4.597 730 H ASP 95 HN ASP 95 6.249 -16.735 -3.628 731 HA ASP 95 HA ASP 95 6.808 -15.291 -1.932 732 HB2 ASP 95 2HB ASP 95 9.169 -15.184 -3.776 733 HB3 ASP 95 1HB ASP 95 9.121 -14.140 -2.353 734 H HIS 96 HN HIS 96 5.128 -14.244 -4.122 735 HA HIS 96 HA HIS 96 5.637 -11.388 -3.620 736 HB2 HIS 96 2HB HIS 96 5.284 -12.728 -6.268 737 HB3 HIS 96 1HB HIS 96 4.694 -11.078 -6.040 738 HD1 HIS 96 1HD HIS 96 7.864 -13.111 -5.626 739 HD2 HIS 96 2HD HIS 96 6.696 -9.134 -6.036 740 HE1 HIS 96 1HE HIS 96 9.984 -11.757 -5.816 741 H TYR 97 HN TYR 97 3.873 -10.166 -3.211 742 HA TYR 97 HA TYR 97 1.226 -11.369 -3.632 743 HB2 TYR 97 2HB TYR 97 2.477 -10.681 -1.023 744 HB3 TYR 97 1HB TYR 97 0.772 -10.274 -1.235 745 HD1 TYR 97 1HD TYR 97 3.224 -13.059 -1.595 746 HD2 TYR 97 2HD TYR 97 -0.890 -11.951 -1.093 747 HE1 TYR 97 1HE TYR 97 2.620 -15.446 -1.281 748 HE2 TYR 97 2HE TYR 97 -1.502 -14.330 -0.790 749 HH TYR 97 HH TYR 97 -0.700 -16.406 -0.464 750 H ILE 98 HN ILE 98 -0.321 -9.973 -4.195 751 HA ILE 98 HA ILE 98 0.452 -7.187 -4.605 752 HB ILE 98 HB ILE 98 -2.115 -8.519 -5.460 753 HG12 ILE 98 2HG1 ILE 98 -0.376 -9.935 -6.342 754 HG13 ILE 98 1HG1 ILE 98 -0.942 -8.914 -7.661 755 HG21 ILE 98 1HG2 ILE 98 -2.076 -6.786 -7.187 756 HG22 ILE 98 2HG2 ILE 98 -0.530 -6.201 -6.579 757 HG23 ILE 98 3HG2 ILE 98 -1.980 -6.062 -5.582 758 HD11 ILE 98 1HD1 ILE 98 0.986 -7.303 -6.881 759 HD12 ILE 98 2HD1 ILE 98 1.384 -8.720 -7.855 760 HD13 ILE 98 3HD1 ILE 98 1.625 -8.756 -6.108 761 H PHE 99 HN PHE 99 -0.344 -5.597 -3.302 762 HA PHE 99 HA PHE 99 -2.520 -6.364 -1.470 763 HB2 PHE 99 2HB PHE 99 -0.322 -6.074 -0.366 764 HB3 PHE 99 1HB PHE 99 -0.238 -4.444 -1.017 765 HD1 PHE 99 1HD PHE 99 -1.597 -6.568 1.548 766 HD2 PHE 99 2HD PHE 99 -1.992 -2.754 -0.383 767 HE1 PHE 99 1HE PHE 99 -2.951 -5.757 3.455 768 HE2 PHE 99 2HE PHE 99 -3.344 -1.925 1.533 769 HZ PHE 99 HZ PHE 99 -3.818 -3.426 3.456 770 H TYR 100 HN TYR 100 -4.288 -5.123 -1.535 771 HA TYR 100 HA TYR 100 -4.107 -2.466 -2.829 772 HB2 TYR 100 2HB TYR 100 -4.918 -3.906 -4.550 773 HB3 TYR 100 1HB TYR 100 -6.002 -4.735 -3.441 774 HD1 TYR 100 1HD TYR 100 -5.284 -1.235 -4.568 775 HD2 TYR 100 2HD TYR 100 -8.254 -4.159 -3.555 776 HE1 TYR 100 1HE TYR 100 -7.065 0.382 -5.157 777 HE2 TYR 100 2HE TYR 100 -10.040 -2.545 -4.135 778 HH TYR 100 HH TYR 100 -9.320 0.515 -5.680 779 H SER 101 HN SER 101 -5.793 -0.995 -2.191 780 HA SER 101 HA SER 101 -7.594 -1.798 -0.081 781 HB2 SER 101 2HB SER 101 -6.722 -0.113 1.541 782 HB3 SER 101 1HB SER 101 -5.628 -1.465 1.265 783 HG SER 101 HG SER 101 -5.364 1.203 0.645 784 H GLU 102 HN GLU 102 -9.240 -0.379 0.351 785 HA GLU 102 HA GLU 102 -9.342 2.053 -1.350 786 HB2 GLU 102 2HB GLU 102 -11.935 0.806 -0.792 787 HB3 GLU 102 1HB GLU 102 -11.275 1.409 -2.313 788 HG2 GLU 102 2HG GLU 102 -9.821 -0.656 -2.379 789 HG3 GLU 102 1HG GLU 102 -10.753 -1.274 -1.022 790 H GLY 103 HN GLY 103 -9.629 3.791 -0.234 791 HA2 GLY 103 2HA GLY 103 -11.401 3.859 2.093 792 HA3 GLY 103 1HA GLY 103 -9.717 4.274 2.395 793 H GLU 104 HN GLU 104 -10.160 6.398 2.944 794 HA GLU 104 HA GLU 104 -10.442 8.194 0.685 795 HB2 GLU 104 2HB GLU 104 -12.299 9.476 1.746 796 HB3 GLU 104 1HB GLU 104 -12.782 7.869 1.203 797 HG2 GLU 104 2HG GLU 104 -12.360 7.028 3.523 798 HG3 GLU 104 1HG GLU 104 -12.077 8.693 4.025 799 H LEU 105 HN LEU 105 -9.839 10.321 1.144 800 HA LEU 105 HA LEU 105 -8.422 10.663 3.716 801 HB2 LEU 105 2HB LEU 105 -7.215 10.561 1.280 802 HB3 LEU 105 1HB LEU 105 -7.558 12.287 1.399 803 HG LEU 105 HG LEU 105 -6.563 12.082 3.800 804 HD11 LEU 105 1HD1 LEU 105 -6.493 9.434 3.213 805 HD12 LEU 105 2HD1 LEU 105 -5.388 10.197 4.356 806 HD13 LEU 105 3HD1 LEU 105 -4.875 9.904 2.695 807 HD21 LEU 105 1HD2 LEU 105 -4.775 11.775 1.365 808 HD22 LEU 105 2HD2 LEU 105 -4.307 12.479 2.912 809 HD23 LEU 105 3HD2 LEU 105 -5.505 13.289 1.902 810 H HIS 106 HN HIS 106 -9.828 11.824 4.868 811 HA HIS 106 HA HIS 106 -11.169 13.561 5.504 812 HB2 HIS 106 2HB HIS 106 -9.401 14.956 3.488 813 HB3 HIS 106 1HB HIS 106 -10.608 15.806 4.453 814 HD1 HIS 106 1HD HIS 106 -8.879 12.947 6.071 815 HD2 HIS 106 2HD HIS 106 -8.434 17.087 5.882 816 HE1 HIS 106 1HE HIS 106 -7.259 13.579 7.914 817 H GLY 107 HN GLY 107 -12.355 11.793 3.794 818 HA2 GLY 107 2HA GLY 107 -14.379 11.699 2.679 819 HA3 GLY 107 1HA GLY 107 -14.402 13.459 2.641 820 H LYS 108 HN LYS 108 -11.597 11.786 1.469 821 HA LYS 108 HA LYS 108 -12.448 12.325 -1.317 822 HB2 LYS 108 2HB LYS 108 -9.640 12.536 -0.222 823 HB3 LYS 108 1HB LYS 108 -10.180 12.952 -1.847 824 HG2 LYS 108 2HG LYS 108 -11.186 14.290 0.684 825 HG3 LYS 108 1HG LYS 108 -9.929 14.953 -0.359 826 HD2 LYS 108 2HD LYS 108 -11.705 14.655 -2.263 827 HD3 LYS 108 1HD LYS 108 -12.861 14.592 -0.933 828 HE2 LYS 108 2HE LYS 108 -12.853 16.862 -1.191 829 HE3 LYS 108 1HE LYS 108 -11.413 16.753 -0.180 830 HZ1 LYS 108 1HZ LYS 108 -10.376 16.299 -2.590 831 HZ2 LYS 108 2HZ LYS 108 -10.480 17.843 -1.888 832 HZ3 LYS 108 3HZ LYS 108 -11.651 17.335 -3.010 833 HA PRO 109 HA PRO 109 -11.984 7.735 -0.999 834 HB2 PRO 109 2HB PRO 109 -12.449 8.215 -3.924 835 HB3 PRO 109 1HB PRO 109 -13.101 6.939 -2.876 836 HG2 PRO 109 2HG PRO 109 -14.578 9.034 -3.540 837 HG3 PRO 109 1HG PRO 109 -14.658 8.337 -1.912 838 HD2 PRO 109 2HD PRO 109 -13.429 10.893 -2.803 839 HD3 PRO 109 1HD PRO 109 -14.096 10.459 -1.212 840 H VAL 110 HN VAL 110 -10.125 6.578 -1.144 841 HA VAL 110 HA VAL 110 -8.185 7.256 -3.242 842 HB VAL 110 HB VAL 110 -6.340 7.076 -1.481 843 HG11 VAL 110 1HG1 VAL 110 -6.726 9.507 -0.764 844 HG12 VAL 110 2HG1 VAL 110 -8.229 9.420 -1.679 845 HG13 VAL 110 3HG1 VAL 110 -6.686 9.187 -2.497 846 HG21 VAL 110 1HG2 VAL 110 -8.058 8.206 0.582 847 HG22 VAL 110 2HG2 VAL 110 -6.871 6.906 0.700 848 HG23 VAL 110 3HG2 VAL 110 -8.518 6.551 0.181 849 H ARG 111 HN ARG 111 -7.453 5.485 -4.165 850 HA ARG 111 HA ARG 111 -7.400 2.979 -2.628 851 HB2 ARG 111 2HB ARG 111 -7.707 2.628 -5.517 852 HB3 ARG 111 1HB ARG 111 -8.591 1.869 -4.193 853 HG2 ARG 111 2HG ARG 111 -10.226 3.144 -5.336 854 HG3 ARG 111 1HG ARG 111 -9.806 4.132 -3.939 855 HD2 ARG 111 2HD ARG 111 -7.946 4.942 -5.803 856 HD3 ARG 111 1HD ARG 111 -9.363 4.638 -6.804 857 HE ARG 111 HE ARG 111 -10.178 6.134 -4.565 858 HH11 ARG 111 1HH1 ARG 111 -10.498 8.373 -4.804 859 HH12 ARG 111 2HH1 ARG 111 -9.730 9.217 -6.107 860 HH21 ARG 111 1HH2 ARG 111 -8.179 6.389 -7.376 861 HH22 ARG 111 2HH2 ARG 111 -8.418 8.093 -7.562 862 H GLY 112 HN GLY 112 -5.530 1.758 -2.850 863 HA2 GLY 112 2HA GLY 112 -3.596 2.582 -4.889 864 HA3 GLY 112 1HA GLY 112 -3.117 2.743 -3.206 865 H VAL 113 HN VAL 113 -1.931 1.105 -5.253 866 HA VAL 113 HA VAL 113 -2.422 -1.590 -4.181 867 HB VAL 113 HB VAL 113 -0.926 -1.109 -6.730 868 HG11 VAL 113 1HG1 VAL 113 -1.426 -3.291 -7.174 869 HG12 VAL 113 2HG1 VAL 113 -3.041 -3.170 -6.458 870 HG13 VAL 113 3HG1 VAL 113 -1.633 -3.373 -5.417 871 HG21 VAL 113 1HG2 VAL 113 -3.111 -1.161 -7.955 872 HG22 VAL 113 2HG2 VAL 113 -2.861 0.317 -7.032 873 HG23 VAL 113 3HG2 VAL 113 -3.932 -0.935 -6.416 874 H LYS 114 HN LYS 114 -0.579 -2.853 -3.669 875 HA LYS 114 HA LYS 114 2.027 -1.509 -3.812 876 HB2 LYS 114 2HB LYS 114 1.366 -2.870 -1.224 877 HB3 LYS 114 1HB LYS 114 2.564 -1.642 -1.558 878 HG2 LYS 114 2HG LYS 114 -0.387 -0.999 -1.727 879 HG3 LYS 114 1HG LYS 114 0.481 -0.947 -0.202 880 HD2 LYS 114 2HD LYS 114 1.819 0.825 -0.841 881 HD3 LYS 114 1HD LYS 114 1.678 0.448 -2.558 882 HE2 LYS 114 2HE LYS 114 0.363 2.498 -1.506 883 HE3 LYS 114 1HE LYS 114 -0.373 1.505 -2.764 884 HZ1 LYS 114 1HZ LYS 114 -1.759 0.497 -1.294 885 HZ2 LYS 114 2HZ LYS 114 -1.598 1.995 -0.508 886 HZ3 LYS 114 3HZ LYS 114 -0.694 0.655 0.015 887 H LEU 115 HN LEU 115 3.609 -2.914 -4.392 888 HA LEU 115 HA LEU 115 2.939 -5.776 -4.549 889 HB2 LEU 115 2HB LEU 115 3.694 -4.804 -6.651 890 HB3 LEU 115 1HB LEU 115 5.110 -4.115 -5.878 891 HG LEU 115 HG LEU 115 5.999 -6.349 -5.440 892 HD11 LEU 115 1HD1 LEU 115 3.276 -7.155 -6.400 893 HD12 LEU 115 2HD1 LEU 115 4.189 -7.759 -5.017 894 HD13 LEU 115 3HD1 LEU 115 4.631 -8.252 -6.651 895 HD21 LEU 115 1HD2 LEU 115 5.432 -7.050 -8.135 896 HD22 LEU 115 2HD2 LEU 115 6.864 -6.236 -7.512 897 HD23 LEU 115 3HD2 LEU 115 5.484 -5.287 -8.062 898 H VAL 116 HN VAL 116 3.909 -7.202 -3.246 899 HA VAL 116 HA VAL 116 6.357 -6.331 -1.888 900 HB VAL 116 HB VAL 116 5.593 -6.813 0.227 901 HG11 VAL 116 1HG1 VAL 116 4.248 -4.955 -0.765 902 HG12 VAL 116 2HG1 VAL 116 3.371 -5.846 0.479 903 HG13 VAL 116 3HG1 VAL 116 3.016 -6.136 -1.218 904 HG21 VAL 116 1HG2 VAL 116 4.867 -9.040 0.092 905 HG22 VAL 116 2HG2 VAL 116 3.692 -8.686 -1.167 906 HG23 VAL 116 3HG2 VAL 116 3.393 -8.170 0.493 907 H GLY 117 HN GLY 117 7.924 -7.854 -1.599 908 HA2 GLY 117 2HA GLY 117 7.560 -10.640 -1.644 909 HA3 GLY 117 1HA GLY 117 7.885 -10.126 -3.291 910 H ARG 118 HN ARG 118 9.193 -10.652 -0.141 911 HA ARG 118 HA ARG 118 11.649 -9.364 -0.214 912 HB2 ARG 118 2HB ARG 118 12.241 -10.702 1.580 913 HB3 ARG 118 1HB ARG 118 10.487 -10.881 1.598 914 HG2 ARG 118 2HG ARG 118 10.854 -12.930 0.068 915 HG3 ARG 118 1HG ARG 118 12.552 -12.820 0.523 916 HD2 ARG 118 2HD ARG 118 12.164 -13.474 2.696 917 HD3 ARG 118 1HD ARG 118 10.537 -12.808 2.736 918 HE ARG 118 HE ARG 118 10.377 -14.870 0.934 919 HH11 ARG 118 1HH1 ARG 118 9.790 -16.973 1.557 920 HH12 ARG 118 2HH1 ARG 118 10.072 -17.498 3.183 921 HH21 ARG 118 1HH2 ARG 118 11.460 -14.487 4.198 922 HH22 ARG 118 2HH2 ARG 118 11.017 -16.091 4.678 923 H ASP 119 HN ASP 119 10.578 -11.876 -2.206 924 HA ASP 119 HA ASP 119 13.125 -13.076 -2.746 925 HB2 ASP 119 2HB ASP 119 11.303 -14.468 -3.172 926 HB3 ASP 119 1HB ASP 119 10.431 -13.217 -4.057 927 HA PRO 120 HA PRO 120 14.151 -9.693 -5.615 928 HB2 PRO 120 2HB PRO 120 16.794 -10.153 -5.855 929 HB3 PRO 120 1HB PRO 120 16.103 -9.457 -4.376 930 HG2 PRO 120 2HG PRO 120 16.986 -12.246 -4.920 931 HG3 PRO 120 1HG PRO 120 17.164 -11.269 -3.453 932 HD2 PRO 120 2HD PRO 120 15.200 -13.205 -3.831 933 HD3 PRO 120 1HD PRO 120 15.103 -11.875 -2.656 934 H LYS 121 HN LYS 121 14.509 -13.094 -6.075 935 HA LYS 121 HA LYS 121 15.550 -13.041 -8.742 936 HB2 LYS 121 2HB LYS 121 15.802 -15.017 -7.333 937 HB3 LYS 121 1HB LYS 121 14.049 -15.211 -7.261 938 HG2 LYS 121 2HG LYS 121 13.957 -16.155 -9.316 939 HG3 LYS 121 1HG LYS 121 15.068 -14.965 -10.000 940 HD2 LYS 121 2HD LYS 121 16.983 -16.177 -9.273 941 HD3 LYS 121 1HD LYS 121 16.028 -17.185 -8.184 942 HE2 LYS 121 2HE LYS 121 16.577 -18.489 -10.158 943 HE3 LYS 121 1HE LYS 121 14.850 -18.134 -10.184 944 HZ1 LYS 121 1HZ LYS 121 16.405 -16.092 -11.444 945 HZ2 LYS 121 2HZ LYS 121 15.068 -16.957 -12.039 946 HZ3 LYS 121 3HZ LYS 121 16.632 -17.604 -12.178 947 H ASN 122 HN ASN 122 13.985 -11.298 -9.391 948 HA ASN 122 HA ASN 122 12.285 -11.992 -11.368 949 HB2 ASN 122 2HB ASN 122 9.992 -11.638 -10.170 950 HB3 ASN 122 1HB ASN 122 10.738 -13.229 -10.144 951 HD21 ASN 122 1HD2 ASN 122 11.717 -10.383 -8.204 952 HD22 ASN 122 2HD2 ASN 122 11.389 -11.101 -6.703 953 H ASN 123 HN ASN 123 10.415 -10.126 -9.270 954 HA ASN 123 HA ASN 123 10.182 -7.855 -8.934 955 HB2 ASN 123 2HB ASN 123 12.839 -8.028 -9.108 956 HB3 ASN 123 1HB ASN 123 12.517 -7.158 -10.608 957 HD21 ASN 123 1HD2 ASN 123 10.306 -5.567 -9.806 958 HD22 ASN 123 2HD2 ASN 123 10.818 -4.486 -8.603 959 H LEU 124 HN LEU 124 11.539 -8.575 -12.102 960 HA LEU 124 HA LEU 124 10.096 -6.624 -13.504 961 HB2 LEU 124 2HB LEU 124 12.129 -8.415 -14.040 962 HB3 LEU 124 1HB LEU 124 10.789 -9.022 -15.008 963 HG LEU 124 HG LEU 124 12.136 -7.441 -16.273 964 HD11 LEU 124 1HD1 LEU 124 10.311 -6.499 -17.280 965 HD12 LEU 124 2HD1 LEU 124 9.727 -5.793 -15.772 966 HD13 LEU 124 3HD1 LEU 124 9.421 -7.495 -16.126 967 HD21 LEU 124 1HD2 LEU 124 12.356 -6.087 -13.870 968 HD22 LEU 124 2HD2 LEU 124 11.304 -5.048 -14.830 969 HD23 LEU 124 3HD2 LEU 124 12.900 -5.490 -15.438 970 H GLU 125 HN GLU 125 9.638 -10.119 -13.273 971 HA GLU 125 HA GLU 125 7.234 -10.108 -14.759 972 HB2 GLU 125 2HB GLU 125 8.337 -12.060 -12.717 973 HB3 GLU 125 1HB GLU 125 6.884 -12.363 -13.676 974 HG2 GLU 125 2HG GLU 125 9.248 -11.477 -15.219 975 HG3 GLU 125 1HG GLU 125 9.399 -13.065 -14.467 976 H ALA 126 HN ALA 126 8.067 -9.778 -11.386 977 HA ALA 126 HA ALA 126 5.410 -9.807 -10.370 978 HB1 ALA 126 1HB ALA 126 7.819 -9.923 -9.183 979 HB2 ALA 126 2HB ALA 126 6.366 -9.399 -8.329 980 HB3 ALA 126 3HB ALA 126 7.488 -8.203 -8.978 981 H LEU 127 HN LEU 127 7.608 -7.273 -11.509 982 HA LEU 127 HA LEU 127 6.000 -5.089 -10.785 983 HB2 LEU 127 2HB LEU 127 8.252 -5.557 -12.637 984 HB3 LEU 127 1HB LEU 127 7.222 -4.194 -13.046 985 HG LEU 127 HG LEU 127 8.379 -4.620 -10.278 986 HD11 LEU 127 1HD1 LEU 127 9.586 -2.403 -11.567 987 HD12 LEU 127 2HD1 LEU 127 9.701 -3.754 -12.692 988 HD13 LEU 127 3HD1 LEU 127 10.362 -3.903 -11.064 989 HD21 LEU 127 1HD2 LEU 127 7.103 -2.846 -9.726 990 HD22 LEU 127 2HD2 LEU 127 6.398 -2.865 -11.341 991 HD23 LEU 127 3HD2 LEU 127 7.833 -1.894 -11.015 992 H GLU 128 HN GLU 128 6.076 -7.145 -13.681 993 HA GLU 128 HA GLU 128 4.176 -5.632 -15.130 994 HB2 GLU 128 2HB GLU 128 5.421 -7.226 -16.370 995 HB3 GLU 128 1HB GLU 128 5.045 -8.522 -15.234 996 HG2 GLU 128 2HG GLU 128 3.743 -8.505 -17.452 997 HG3 GLU 128 1HG GLU 128 2.795 -8.668 -15.976 998 H ASP 129 HN ASP 129 3.912 -8.424 -12.966 999 HA ASP 129 HA ASP 129 1.139 -8.789 -13.143 1000 HB2 ASP 129 2HB ASP 129 2.933 -10.233 -11.935 1001 HB3 ASP 129 1HB ASP 129 2.636 -9.169 -10.561 1002 H PHE 130 HN PHE 130 3.078 -6.745 -10.995 1003 HA PHE 130 HA PHE 130 0.894 -5.672 -9.535 1004 HB2 PHE 130 2HB PHE 130 3.260 -5.548 -8.829 1005 HB3 PHE 130 1HB PHE 130 3.595 -4.471 -10.177 1006 HD1 PHE 130 1HD PHE 130 1.187 -4.818 -7.336 1007 HD2 PHE 130 2HD PHE 130 3.548 -2.178 -9.759 1008 HE1 PHE 130 1HE PHE 130 0.532 -2.913 -5.916 1009 HE2 PHE 130 2HE PHE 130 2.866 -0.277 -8.325 1010 HZ PHE 130 HZ PHE 130 1.364 -0.639 -6.414 1011 H GLU 131 HN GLU 131 2.721 -4.616 -12.364 1012 HA GLU 131 HA GLU 131 1.363 -2.221 -12.876 1013 HB2 GLU 131 2HB GLU 131 3.506 -3.058 -13.985 1014 HB3 GLU 131 1HB GLU 131 2.467 -4.053 -15.006 1015 HG2 GLU 131 2HG GLU 131 1.256 -2.022 -15.736 1016 HG3 GLU 131 1HG GLU 131 2.332 -1.037 -14.748 1017 H LYS 132 HN LYS 132 0.378 -5.479 -13.106 1018 HA LYS 132 HA LYS 132 -1.720 -4.951 -15.044 1019 HB2 LYS 132 2HB LYS 132 -0.447 -7.260 -14.312 1020 HB3 LYS 132 1HB LYS 132 -1.898 -7.352 -13.317 1021 HG2 LYS 132 2HG LYS 132 -2.623 -8.380 -15.281 1022 HG3 LYS 132 1HG LYS 132 -3.139 -6.716 -15.551 1023 HD2 LYS 132 2HD LYS 132 -1.114 -6.278 -16.868 1024 HD3 LYS 132 1HD LYS 132 -0.532 -7.910 -16.548 1025 HE2 LYS 132 2HE LYS 132 -3.151 -7.300 -17.947 1026 HE3 LYS 132 1HE LYS 132 -1.643 -7.647 -18.793 1027 HZ1 LYS 132 1HZ LYS 132 -2.793 -9.677 -18.626 1028 HZ2 LYS 132 2HZ LYS 132 -3.168 -9.431 -16.986 1029 HZ3 LYS 132 3HZ LYS 132 -1.569 -9.754 -17.455 1030 H ALA 133 HN ALA 133 -1.250 -5.451 -11.619 1031 HA ALA 133 HA ALA 133 -3.948 -5.199 -10.828 1032 HB1 ALA 133 1HB ALA 133 -2.066 -6.022 -9.378 1033 HB2 ALA 133 2HB ALA 133 -3.094 -4.818 -8.598 1034 HB3 ALA 133 3HB ALA 133 -1.518 -4.352 -9.240 1035 H ALA 134 HN ALA 134 -1.334 -2.766 -10.912 1036 HA ALA 134 HA ALA 134 -2.879 -0.576 -10.188 1037 HB1 ALA 134 1HB ALA 134 -0.406 -0.524 -10.397 1038 HB2 ALA 134 2HB ALA 134 -1.170 0.778 -11.303 1039 HB3 ALA 134 3HB ALA 134 -0.570 -0.648 -12.148 1040 H GLY 135 HN GLY 135 -2.230 -2.022 -13.358 1041 HA2 GLY 135 2HA GLY 135 -3.767 -0.202 -14.845 1042 HA3 GLY 135 1HA GLY 135 -3.429 -1.865 -15.331 1043 H ALA 136 HN ALA 136 -4.569 -3.366 -13.496 1044 HA ALA 136 HA ALA 136 -7.255 -3.481 -14.126 1045 HB1 ALA 136 1HB ALA 136 -5.888 -5.314 -13.065 1046 HB2 ALA 136 2HB ALA 136 -7.481 -5.088 -12.345 1047 HB3 ALA 136 3HB ALA 136 -6.049 -4.459 -11.532 1048 H ARG 137 HN ARG 137 -5.629 -1.332 -12.019 1049 HA ARG 137 HA ARG 137 -8.198 -0.509 -10.814 1050 HB2 ARG 137 2HB ARG 137 -5.798 -1.145 -9.544 1051 HB3 ARG 137 1HB ARG 137 -5.812 0.616 -9.591 1052 HG2 ARG 137 2HG ARG 137 -6.950 -0.027 -7.574 1053 HG3 ARG 137 1HG ARG 137 -8.184 0.527 -8.705 1054 HD2 ARG 137 2HD ARG 137 -7.847 -2.219 -9.240 1055 HD3 ARG 137 1HD ARG 137 -7.873 -2.079 -7.484 1056 HE ARG 137 HE ARG 137 -9.978 -0.522 -8.397 1057 HH11 ARG 137 1HH1 ARG 137 -12.083 -1.367 -8.549 1058 HH12 ARG 137 2HH1 ARG 137 -12.316 -3.077 -8.689 1059 HH21 ARG 137 1HH2 ARG 137 -8.928 -3.811 -8.602 1060 HH22 ARG 137 2HH2 ARG 137 -10.530 -4.462 -8.718 1061 H GLY 138 HN GLY 138 -6.071 0.151 -13.214 1062 HA2 GLY 138 2HA GLY 138 -5.812 1.947 -14.642 1063 HA3 GLY 138 1HA GLY 138 -7.154 2.713 -13.798 1064 H LEU 139 HN LEU 139 -4.104 1.640 -12.420 1065 HA LEU 139 HA LEU 139 -3.417 4.450 -11.840 1066 HB2 LEU 139 2HB LEU 139 -2.958 2.033 -10.093 1067 HB3 LEU 139 1HB LEU 139 -2.515 3.690 -9.697 1068 HG LEU 139 HG LEU 139 -5.355 2.801 -10.273 1069 HD11 LEU 139 1HD1 LEU 139 -5.728 2.724 -7.900 1070 HD12 LEU 139 2HD1 LEU 139 -4.120 3.368 -7.566 1071 HD13 LEU 139 3HD1 LEU 139 -4.299 1.740 -8.216 1072 HD21 LEU 139 1HD2 LEU 139 -4.063 5.356 -9.317 1073 HD22 LEU 139 2HD2 LEU 139 -5.736 4.988 -8.905 1074 HD23 LEU 139 3HD2 LEU 139 -5.258 5.131 -10.595 1075 H SER 140 HN SER 140 -2.577 2.372 -13.936 1076 HA SER 140 HA SER 140 0.204 1.878 -13.266 1077 HB2 SER 140 2HB SER 140 0.017 0.263 -14.802 1078 HB3 SER 140 1HB SER 140 -1.659 0.739 -15.036 1079 HG SER 140 HG SER 140 -0.745 2.395 -16.488 1080 H THR 141 HN THR 141 -1.017 4.693 -13.764 1081 HA THR 141 HA THR 141 1.268 5.606 -15.358 1082 HB THR 141 HB THR 141 -0.910 5.306 -16.757 1083 HG1 THR 141 1HG THR 141 0.745 7.583 -16.623 1084 HG21 THR 141 1HG2 THR 141 -1.501 8.053 -15.691 1085 HG22 THR 141 2HG2 THR 141 -2.162 6.634 -14.881 1086 HG23 THR 141 3HG2 THR 141 -2.560 6.950 -16.569 1087 H GLU 142 HN GLU 142 -0.060 5.760 -12.496 1088 HA GLU 142 HA GLU 142 -0.121 8.692 -12.264 1089 HB2 GLU 142 2HB GLU 142 -0.723 8.048 -9.793 1090 HB3 GLU 142 1HB GLU 142 -1.913 7.873 -11.073 1091 HG2 GLU 142 2HG GLU 142 -1.726 5.875 -9.555 1092 HG3 GLU 142 1HG GLU 142 -1.503 5.534 -11.266 1093 H SER 143 HN SER 143 0.804 7.404 -9.313 1094 HA SER 143 HA SER 143 3.330 8.745 -9.405 1095 HB2 SER 143 2HB SER 143 3.532 7.907 -7.061 1096 HB3 SER 143 1HB SER 143 2.054 8.811 -7.377 1097 HG SER 143 HG SER 143 2.339 5.986 -7.439 1098 H ILE 144 HN ILE 144 2.551 5.298 -8.634 1099 HA ILE 144 HA ILE 144 3.928 3.517 -8.560 1100 HB ILE 144 HB ILE 144 4.062 4.586 -11.331 1101 HG12 ILE 144 2HG1 ILE 144 2.065 3.417 -10.094 1102 HG13 ILE 144 1HG1 ILE 144 2.435 2.974 -11.761 1103 HG21 ILE 144 1HG2 ILE 144 5.570 2.252 -10.191 1104 HG22 ILE 144 2HG2 ILE 144 6.120 3.459 -11.353 1105 HG23 ILE 144 3HG2 ILE 144 4.994 2.205 -11.857 1106 HD11 ILE 144 1HD1 ILE 144 2.103 1.079 -10.019 1107 HD12 ILE 144 2HD1 ILE 144 3.720 1.510 -9.465 1108 HD13 ILE 144 3HD1 ILE 144 3.471 0.969 -11.122 1109 H LEU 145 HN LEU 145 5.481 3.739 -7.147 1110 HA LEU 145 HA LEU 145 8.106 4.542 -8.180 1111 HB2 LEU 145 2HB LEU 145 7.306 6.438 -6.925 1112 HB3 LEU 145 1HB LEU 145 6.803 5.407 -5.593 1113 HG LEU 145 HG LEU 145 9.203 4.809 -5.185 1114 HD11 LEU 145 1HD1 LEU 145 10.600 5.123 -6.943 1115 HD12 LEU 145 2HD1 LEU 145 10.628 6.812 -6.439 1116 HD13 LEU 145 3HD1 LEU 145 9.518 6.293 -7.704 1117 HD21 LEU 145 1HD2 LEU 145 7.909 7.341 -4.771 1118 HD22 LEU 145 2HD2 LEU 145 9.638 7.604 -4.996 1119 HD23 LEU 145 3HD2 LEU 145 9.070 6.514 -3.731 1120 H ILE 146 HN ILE 146 9.848 3.526 -7.237 1121 HA ILE 146 HA ILE 146 9.228 1.137 -5.615 1122 HB ILE 146 HB ILE 146 11.479 1.462 -7.612 1123 HG12 ILE 146 2HG1 ILE 146 8.961 -0.212 -7.866 1124 HG13 ILE 146 1HG1 ILE 146 9.137 1.382 -8.599 1125 HG21 ILE 146 1HG2 ILE 146 11.399 -1.135 -7.280 1126 HG22 ILE 146 2HG2 ILE 146 10.554 -0.751 -5.782 1127 HG23 ILE 146 3HG2 ILE 146 12.187 -0.146 -6.053 1128 HD11 ILE 146 1HD1 ILE 146 10.322 0.529 -10.310 1129 HD12 ILE 146 2HD1 ILE 146 9.970 -1.080 -9.683 1130 HD13 ILE 146 3HD1 ILE 146 11.447 -0.251 -9.200 1131 HA PRO 147 HA PRO 147 12.088 3.900 -3.275 1132 HB2 PRO 147 2HB PRO 147 11.091 3.386 -0.786 1133 HB3 PRO 147 1HB PRO 147 10.426 4.615 -1.878 1134 HG2 PRO 147 2HG PRO 147 9.428 1.903 -1.253 1135 HG3 PRO 147 1HG PRO 147 8.526 3.385 -1.594 1136 HD2 PRO 147 2HD PRO 147 8.924 1.336 -3.402 1137 HD3 PRO 147 1HD PRO 147 8.548 3.009 -3.860 1138 H ARG 148 HN ARG 148 14.028 3.143 -2.971 1139 HA ARG 148 HA ARG 148 15.014 0.658 -2.899 1140 HB2 ARG 148 2HB ARG 148 16.422 2.664 -2.851 1141 HB3 ARG 148 1HB ARG 148 16.007 2.923 -1.155 1142 HG2 ARG 148 2HG ARG 148 17.258 1.107 -0.430 1143 HG3 ARG 148 1HG ARG 148 17.131 0.268 -1.976 1144 HD2 ARG 148 2HD ARG 148 19.412 1.139 -1.614 1145 HD3 ARG 148 1HD ARG 148 18.650 1.897 -3.006 1146 HE ARG 148 HE ARG 148 19.147 3.161 -0.390 1147 HH11 ARG 148 1HH1 ARG 148 19.157 5.419 -0.445 1148 HH12 ARG 148 2HH1 ARG 148 18.676 6.253 -1.884 1149 HH21 ARG 148 1HH2 ARG 148 18.020 3.370 -3.678 1150 HH22 ARG 148 2HH2 ARG 148 18.038 5.099 -3.704 1151 H GLN 149 HN GLN 149 15.716 -0.832 -1.297 1152 HA GLN 149 HA GLN 149 13.760 -1.226 0.794 1153 HB2 GLN 149 2HB GLN 149 16.245 -2.862 0.279 1154 HB3 GLN 149 1HB GLN 149 14.765 -3.370 1.091 1155 HG2 GLN 149 2HG GLN 149 15.058 -2.641 -1.838 1156 HG3 GLN 149 1HG GLN 149 14.761 -4.251 -1.180 1157 HE21 GLN 149 1HE2 GLN 149 13.025 -2.594 -3.020 1158 HE22 GLN 149 2HE2 GLN 149 11.533 -2.468 -2.219 1159 H SER 150 HN SER 150 15.087 1.114 1.354 1160 HA SER 150 HA SER 150 17.381 0.958 2.932 1161 HB2 SER 150 2HB SER 150 16.931 3.135 3.545 1162 HB3 SER 150 1HB SER 150 15.905 3.006 2.120 1163 HG SER 150 HG SER 150 15.070 2.481 4.784 1164 H GLU 151 HN GLU 151 17.487 -0.740 4.328 1165 HA GLU 151 HA GLU 151 15.688 -2.001 5.855 1166 HB2 GLU 151 2HB GLU 151 18.330 -2.097 5.810 1167 HB3 GLU 151 1HB GLU 151 18.160 -1.155 7.291 1168 HG2 GLU 151 2HG GLU 151 16.370 -2.983 7.907 1169 HG3 GLU 151 1HG GLU 151 17.233 -3.950 6.711 1170 H THR 152 HN THR 152 16.715 1.297 6.362 1171 HA THR 152 HA THR 152 14.561 1.687 8.262 1172 HB THR 152 HB THR 152 16.337 0.907 9.757 1173 HG1 THR 152 1HG THR 152 16.450 3.639 10.180 1174 HG21 THR 152 1HG2 THR 152 17.977 3.255 8.786 1175 HG22 THR 152 2HG2 THR 152 18.190 1.620 8.160 1176 HG23 THR 152 3HG2 THR 152 18.482 1.955 9.867 1177 H CYS 153 HN CYS 153 13.818 3.764 8.230 1178 HA CYS 153 HA CYS 153 14.559 5.464 6.125 1179 HB2 CYS 153 2HB CYS 153 13.107 7.113 7.160 1180 HB3 CYS 153 1HB CYS 153 12.354 5.524 7.250 1181 H SER 154 HN SER 154 16.523 6.316 5.933 1182 HA SER 154 HA SER 154 17.513 8.453 7.267 1183 HB2 SER 154 2HB SER 154 19.342 7.109 8.687 1184 HB3 SER 154 1HB SER 154 17.802 7.609 9.377 1185 HG SER 154 HG SER 154 17.782 5.504 9.785 1186 HA PRO 155 HA PRO 155 20.143 6.670 3.909 1187 HB2 PRO 155 2HB PRO 155 19.618 8.527 2.000 1188 HB3 PRO 155 1HB PRO 155 18.566 7.127 2.284 1189 HG2 PRO 155 2HG PRO 155 18.185 9.962 3.041 1190 HG3 PRO 155 1HG PRO 155 16.987 8.736 2.603 1191 HD2 PRO 155 2HD PRO 155 17.615 9.560 5.218 1192 HD3 PRO 155 1HD PRO 155 16.705 8.099 4.780 1193 H GLY 156 HN GLY 156 20.026 9.515 5.719 1194 HA2 GLY 156 2HA GLY 156 22.138 11.010 4.518 1195 HA3 GLY 156 1HA GLY 156 21.523 11.216 6.155 1196 H SER 157 HN SER 157 22.036 8.882 7.385 1197 HA SER 157 HA SER 157 24.823 9.014 7.906 1198 HB2 SER 157 2HB SER 157 24.235 7.859 9.738 1199 HB3 SER 157 1HB SER 157 22.577 7.901 9.147 1200 HG SER 157 HG SER 157 22.826 5.920 8.285 1201 H ASP 158 HN ASP 158 26.482 7.599 7.401 1202 HA ASP 158 HA ASP 158 27.697 6.198 6.044 1203 HB2 ASP 158 2HB ASP 158 25.804 4.678 7.222 1204 HB3 ASP 158 1HB ASP 158 25.379 4.425 5.530 Start of MODEL 18 1 H1 HIS 1 1HT HIS 1 -10.104 -25.673 -1.860 2 H2 HIS 1 2HT HIS 1 -11.546 -25.110 -2.560 3 H3 HIS 1 3HT HIS 1 -10.516 -24.033 -1.745 4 HA HIS 1 HA HIS 1 -8.842 -25.038 -3.575 5 HB2 HIS 1 2HB HIS 1 -11.417 -25.823 -4.403 6 HB3 HIS 1 1HB HIS 1 -10.991 -24.450 -5.425 7 HD1 HIS 1 1HD HIS 1 -9.470 -24.950 -7.346 8 HD2 HIS 1 2HD HIS 1 -9.236 -27.883 -4.393 9 HE1 HIS 1 1HE HIS 1 -7.945 -26.756 -8.252 10 H HIS 2 HN HIS 2 -10.619 -22.755 -2.079 11 HA HIS 2 HA HIS 2 -10.543 -20.568 -3.905 12 HB2 HIS 2 2HB HIS 2 -10.503 -20.357 -0.894 13 HB3 HIS 2 1HB HIS 2 -11.177 -19.215 -2.057 14 HD1 HIS 2 1HD HIS 2 -11.803 -22.654 -0.604 15 HD2 HIS 2 2HD HIS 2 -13.793 -19.796 -2.896 16 HE1 HIS 2 1HE HIS 2 -14.205 -23.435 -0.794 17 H LEU 3 HN LEU 3 -8.845 -19.401 -4.550 18 HA LEU 3 HA LEU 3 -6.296 -19.723 -3.131 19 HB2 LEU 3 2HB LEU 3 -6.692 -19.950 -5.727 20 HB3 LEU 3 1HB LEU 3 -6.555 -18.191 -5.686 21 HG LEU 3 HG LEU 3 -4.436 -18.744 -4.175 22 HD11 LEU 3 1HD1 LEU 3 -5.047 -21.245 -4.399 23 HD12 LEU 3 2HD1 LEU 3 -3.367 -20.795 -4.682 24 HD13 LEU 3 3HD1 LEU 3 -4.437 -21.112 -6.048 25 HD21 LEU 3 1HD2 LEU 3 -4.760 -18.699 -7.160 26 HD22 LEU 3 2HD2 LEU 3 -3.161 -18.982 -6.473 27 HD23 LEU 3 3HD2 LEU 3 -4.030 -17.492 -6.101 28 H LEU 4 HN LEU 4 -8.409 -17.140 -4.399 29 HA LEU 4 HA LEU 4 -7.025 -14.887 -3.655 30 HB2 LEU 4 2HB LEU 4 -9.128 -14.633 -4.770 31 HB3 LEU 4 1HB LEU 4 -9.992 -15.479 -3.489 32 HG LEU 4 HG LEU 4 -9.650 -13.671 -1.950 33 HD11 LEU 4 1HD1 LEU 4 -7.431 -12.937 -2.320 34 HD12 LEU 4 2HD1 LEU 4 -8.410 -11.578 -2.869 35 HD13 LEU 4 3HD1 LEU 4 -7.714 -12.692 -4.042 36 HD21 LEU 4 1HD2 LEU 4 -10.393 -12.659 -4.703 37 HD22 LEU 4 2HD2 LEU 4 -10.627 -11.729 -3.222 38 HD23 LEU 4 3HD2 LEU 4 -11.488 -13.252 -3.453 39 H ALA 5 HN ALA 5 -5.778 -15.198 -1.821 40 HA ALA 5 HA ALA 5 -5.264 -15.416 0.412 41 HB1 ALA 5 1HB ALA 5 -7.825 -13.936 0.935 42 HB2 ALA 5 2HB ALA 5 -6.428 -13.138 0.211 43 HB3 ALA 5 3HB ALA 5 -6.300 -13.856 1.818 44 H SER 6 HN SER 6 -5.616 -17.654 0.412 45 HA SER 6 HA SER 6 -7.916 -19.098 0.816 46 HB2 SER 6 2HB SER 6 -6.149 -20.515 0.681 47 HB3 SER 6 1HB SER 6 -5.072 -19.394 1.510 48 HG SER 6 HG SER 6 -6.265 -19.967 3.455 49 H ASP 7 HN ASP 7 -9.270 -19.562 2.554 50 HA ASP 7 HA ASP 7 -9.541 -17.656 4.594 51 HB2 ASP 7 2HB ASP 7 -10.919 -19.671 5.640 52 HB3 ASP 7 1HB ASP 7 -11.509 -18.786 4.235 53 H GLU 8 HN GLU 8 -8.700 -21.100 5.056 54 HA GLU 8 HA GLU 8 -7.871 -20.972 7.681 55 HB2 GLU 8 2HB GLU 8 -6.726 -22.648 5.434 56 HB3 GLU 8 1HB GLU 8 -6.416 -22.929 7.148 57 HG2 GLU 8 2HG GLU 8 -8.379 -23.999 7.384 58 HG3 GLU 8 1HG GLU 8 -9.253 -22.634 6.693 59 H GLU 9 HN GLU 9 -5.288 -21.555 5.402 60 HA GLU 9 HA GLU 9 -3.736 -19.360 6.641 61 HB2 GLU 9 2HB GLU 9 -2.710 -21.899 5.346 62 HB3 GLU 9 1HB GLU 9 -1.736 -20.666 6.147 63 HG2 GLU 9 2HG GLU 9 -2.873 -21.113 8.273 64 HG3 GLU 9 1HG GLU 9 -3.906 -22.305 7.485 65 H ILE 10 HN ILE 10 -2.565 -17.975 5.292 66 HA ILE 10 HA ILE 10 -3.592 -17.704 2.612 67 HB ILE 10 HB ILE 10 -1.305 -16.196 3.895 68 HG12 ILE 10 2HG1 ILE 10 -4.302 -15.828 4.081 69 HG13 ILE 10 1HG1 ILE 10 -3.142 -15.957 5.403 70 HG21 ILE 10 1HG2 ILE 10 -1.705 -14.540 2.257 71 HG22 ILE 10 2HG2 ILE 10 -3.286 -15.206 1.848 72 HG23 ILE 10 3HG2 ILE 10 -1.819 -16.053 1.359 73 HD11 ILE 10 1HD1 ILE 10 -2.098 -13.819 4.153 74 HD12 ILE 10 2HD1 ILE 10 -3.358 -13.667 5.376 75 HD13 ILE 10 3HD1 ILE 10 -3.781 -13.620 3.663 76 H GLN 11 HN GLN 11 -0.239 -17.871 3.812 77 HA GLN 11 HA GLN 11 0.539 -20.044 2.173 78 HB2 GLN 11 2HB GLN 11 0.197 -18.359 0.372 79 HB3 GLN 11 1HB GLN 11 1.399 -17.327 1.148 80 HG2 GLN 11 2HG GLN 11 3.039 -18.460 0.112 81 HG3 GLN 11 1HG GLN 11 2.518 -19.944 0.910 82 HE21 GLN 11 1HE2 GLN 11 1.571 -21.536 -0.401 83 HE22 GLN 11 2HE2 GLN 11 1.120 -21.295 -2.020 84 H ASP 12 HN ASP 12 1.533 -17.021 3.715 85 HA ASP 12 HA ASP 12 3.370 -18.366 5.439 86 HB2 ASP 12 2HB ASP 12 4.508 -18.070 3.057 87 HB3 ASP 12 1HB ASP 12 4.792 -16.440 3.663 88 H VAL 13 HN VAL 13 3.027 -15.186 3.856 89 HA VAL 13 HA VAL 13 3.215 -13.065 4.784 90 HB VAL 13 HB VAL 13 1.239 -12.943 6.620 91 HG11 VAL 13 1HG1 VAL 13 1.314 -11.756 4.473 92 HG12 VAL 13 2HG1 VAL 13 -0.266 -12.497 4.710 93 HG13 VAL 13 3HG1 VAL 13 0.903 -13.246 3.623 94 HG21 VAL 13 1HG2 VAL 13 -0.499 -14.581 6.008 95 HG22 VAL 13 2HG2 VAL 13 0.924 -15.399 6.657 96 HG23 VAL 13 3HG2 VAL 13 0.630 -15.382 4.918 97 H SER 14 HN SER 14 2.094 -14.592 7.751 98 HA SER 14 HA SER 14 3.229 -13.337 9.728 99 HB2 SER 14 2HB SER 14 2.681 -16.131 9.288 100 HB3 SER 14 1HB SER 14 4.074 -15.937 10.347 101 HG SER 14 HG SER 14 2.444 -14.162 11.200 102 H GLY 15 HN GLY 15 5.073 -12.113 9.257 103 HA2 GLY 15 2HA GLY 15 7.518 -12.892 10.085 104 HA3 GLY 15 1HA GLY 15 7.512 -13.430 8.412 105 H THR 16 HN THR 16 8.728 -12.101 7.312 106 HA THR 16 HA THR 16 8.232 -9.195 7.512 107 HB THR 16 HB THR 16 10.994 -10.209 6.967 108 HG1 THR 16 1HG THR 16 10.875 -9.525 9.469 109 HG21 THR 16 1HG2 THR 16 10.015 -7.756 6.788 110 HG22 THR 16 2HG2 THR 16 11.620 -8.032 7.464 111 HG23 THR 16 3HG2 THR 16 10.245 -7.772 8.536 112 H TRP 17 HN TRP 17 8.411 -8.006 5.648 113 HA TRP 17 HA TRP 17 9.086 -9.396 3.159 114 HB2 TRP 17 2HB TRP 17 6.430 -8.071 3.736 115 HB3 TRP 17 1HB TRP 17 6.993 -8.454 2.110 116 HD1 TRP 17 1HD TRP 17 6.256 -10.240 5.462 117 HE1 TRP 17 1HE TRP 17 5.509 -12.650 4.938 118 HE3 TRP 17 3HE TRP 17 6.891 -10.274 0.398 119 HZ2 TRP 17 2HZ TRP 17 5.220 -14.366 2.663 120 HZ3 TRP 17 3HZ TRP 17 6.366 -12.301 -0.926 121 HH2 TRP 17 2HH TRP 17 5.534 -14.349 0.201 122 H TYR 18 HN TYR 18 8.657 -7.637 1.294 123 HA TYR 18 HA TYR 18 9.563 -4.998 2.235 124 HB2 TYR 18 2HB TYR 18 10.950 -6.771 0.226 125 HB3 TYR 18 1HB TYR 18 11.158 -5.019 0.221 126 HD1 TYR 18 1HD TYR 18 11.421 -8.029 2.428 127 HD2 TYR 18 2HD TYR 18 12.664 -3.984 1.702 128 HE1 TYR 18 1HE TYR 18 13.097 -8.217 4.247 129 HE2 TYR 18 2HE TYR 18 14.343 -4.172 3.512 130 HH TYR 18 HH TYR 18 14.417 -6.916 5.669 131 H LEU 19 HN LEU 19 9.292 -3.333 0.514 132 HA LEU 19 HA LEU 19 7.016 -4.012 -1.235 133 HB2 LEU 19 2HB LEU 19 7.136 -2.074 0.658 134 HB3 LEU 19 1HB LEU 19 7.731 -1.178 -0.735 135 HG LEU 19 HG LEU 19 5.657 -2.302 -1.938 136 HD11 LEU 19 1HD1 LEU 19 4.614 -2.066 0.890 137 HD12 LEU 19 2HD1 LEU 19 5.189 -3.602 0.242 138 HD13 LEU 19 3HD1 LEU 19 3.818 -2.785 -0.509 139 HD21 LEU 19 1HD2 LEU 19 5.850 0.115 -0.186 140 HD22 LEU 19 2HD2 LEU 19 4.266 -0.316 -0.831 141 HD23 LEU 19 3HD2 LEU 19 5.606 0.012 -1.929 142 H LYS 20 HN LYS 20 7.355 -3.984 -3.367 143 HA LYS 20 HA LYS 20 9.905 -2.856 -4.353 144 HB2 LYS 20 2HB LYS 20 8.334 -4.770 -5.996 145 HB3 LYS 20 1HB LYS 20 10.080 -4.602 -5.816 146 HG2 LYS 20 2HG LYS 20 9.845 -5.498 -3.465 147 HG3 LYS 20 1HG LYS 20 8.151 -5.822 -3.818 148 HD2 LYS 20 2HD LYS 20 9.411 -7.862 -4.201 149 HD3 LYS 20 1HD LYS 20 8.864 -7.240 -5.758 150 HE2 LYS 20 2HE LYS 20 11.528 -6.303 -4.816 151 HE3 LYS 20 1HE LYS 20 11.410 -7.988 -5.314 152 HZ1 LYS 20 1HZ LYS 20 11.356 -5.620 -6.910 153 HZ2 LYS 20 2HZ LYS 20 10.020 -6.622 -7.222 154 HZ3 LYS 20 3HZ LYS 20 11.597 -7.231 -7.380 155 H ALA 21 HN ALA 21 6.557 -2.350 -4.418 156 HA ALA 21 HA ALA 21 6.807 -0.194 -6.299 157 HB1 ALA 21 1HB ALA 21 6.491 -2.595 -7.534 158 HB2 ALA 21 2HB ALA 21 5.902 -1.063 -8.189 159 HB3 ALA 21 3HB ALA 21 4.809 -2.123 -7.294 160 H MET 22 HN MET 22 5.101 1.228 -6.166 161 HA MET 22 HA MET 22 2.662 0.415 -4.828 162 HB2 MET 22 2HB MET 22 3.593 0.936 -2.816 163 HB3 MET 22 1HB MET 22 4.802 1.996 -3.537 164 HG2 MET 22 2HG MET 22 3.252 3.790 -3.735 165 HG3 MET 22 1HG MET 22 1.872 2.742 -3.398 166 HE1 MET 22 1HE MET 22 1.556 4.946 -2.166 167 HE2 MET 22 2HE MET 22 3.046 5.661 -1.557 168 HE3 MET 22 3HE MET 22 1.836 5.065 -0.423 169 H THR 23 HN THR 23 0.920 1.763 -5.226 170 HA THR 23 HA THR 23 1.396 3.833 -7.276 171 HB THR 23 HB THR 23 -1.037 3.588 -7.738 172 HG1 THR 23 1HG THR 23 -0.914 2.336 -5.385 173 HG21 THR 23 1HG2 THR 23 -0.785 0.969 -8.246 174 HG22 THR 23 2HG2 THR 23 0.903 1.361 -7.919 175 HG23 THR 23 3HG2 THR 23 0.034 2.204 -9.197 176 H VAL 24 HN VAL 24 0.970 5.974 -6.838 177 HA VAL 24 HA VAL 24 -0.375 6.578 -4.267 178 HB VAL 24 HB VAL 24 1.570 8.564 -5.281 179 HG11 VAL 24 1HG1 VAL 24 1.154 7.245 -2.582 180 HG12 VAL 24 2HG1 VAL 24 0.334 8.712 -3.113 181 HG13 VAL 24 3HG1 VAL 24 2.084 8.708 -2.903 182 HG21 VAL 24 1HG2 VAL 24 3.429 7.158 -4.189 183 HG22 VAL 24 2HG2 VAL 24 2.917 6.685 -5.810 184 HG23 VAL 24 3HG2 VAL 24 2.345 5.787 -4.407 185 H ASP 25 HN ASP 25 -2.368 6.811 -5.344 186 HA ASP 25 HA ASP 25 -3.923 7.805 -6.787 187 HB2 ASP 25 2HB ASP 25 -4.093 9.040 -4.710 188 HB3 ASP 25 1HB ASP 25 -2.755 10.085 -5.182 189 H ARG 26 HN ARG 26 -2.074 10.742 -6.723 190 HA ARG 26 HA ARG 26 -0.771 10.444 -9.246 191 HB2 ARG 26 2HB ARG 26 -3.556 11.366 -9.208 192 HB3 ARG 26 1HB ARG 26 -2.470 12.526 -9.964 193 HG2 ARG 26 2HG ARG 26 -2.072 11.171 -11.764 194 HG3 ARG 26 1HG ARG 26 -2.096 9.696 -10.807 195 HD2 ARG 26 2HD ARG 26 -4.029 9.951 -12.410 196 HD3 ARG 26 1HD ARG 26 -4.470 9.653 -10.730 197 HE ARG 26 HE ARG 26 -5.482 11.736 -10.711 198 HH11 ARG 26 1HH1 ARG 26 -5.989 13.778 -11.572 199 HH12 ARG 26 2HH1 ARG 26 -5.140 14.360 -12.966 200 HH21 ARG 26 1HH2 ARG 26 -3.153 11.533 -13.261 201 HH22 ARG 26 2HH2 ARG 26 -3.534 13.089 -13.920 202 H GLU 27 HN GLU 27 -2.194 12.679 -6.887 203 HA GLU 27 HA GLU 27 0.190 14.406 -7.220 204 HB2 GLU 27 2HB GLU 27 -2.542 15.279 -6.267 205 HB3 GLU 27 1HB GLU 27 -1.163 16.309 -6.650 206 HG2 GLU 27 2HG GLU 27 -1.280 15.214 -9.003 207 HG3 GLU 27 1HG GLU 27 -2.907 14.725 -8.529 208 H PHE 28 HN PHE 28 -2.382 14.190 -4.761 209 HA PHE 28 HA PHE 28 -2.288 13.937 -2.490 210 HB2 PHE 28 2HB PHE 28 -0.358 12.098 -3.516 211 HB3 PHE 28 1HB PHE 28 0.288 12.825 -2.048 212 HD1 PHE 28 1HD PHE 28 -1.547 10.120 -3.172 213 HD2 PHE 28 2HD PHE 28 -1.725 13.209 -0.190 214 HE1 PHE 28 1HE PHE 28 -3.062 8.714 -1.803 215 HE2 PHE 28 2HE PHE 28 -3.239 11.798 1.177 216 HZ PHE 28 HZ PHE 28 -3.906 9.552 0.371 217 HA PRO 29 HA PRO 29 -0.249 17.995 -1.942 218 HB2 PRO 29 2HB PRO 29 -1.032 17.313 0.871 219 HB3 PRO 29 1HB PRO 29 -1.178 18.855 0.002 220 HG2 PRO 29 2HG PRO 29 -3.279 17.274 0.337 221 HG3 PRO 29 1HG PRO 29 -3.035 18.176 -1.170 222 HD2 PRO 29 2HD PRO 29 -2.740 15.264 -0.655 223 HD3 PRO 29 1HD PRO 29 -3.131 16.106 -2.170 224 H GLU 30 HN GLU 30 1.896 17.579 -2.290 225 HA GLU 30 HA GLU 30 4.076 16.942 -1.883 226 HB2 GLU 30 2HB GLU 30 3.096 18.475 0.482 227 HB3 GLU 30 1HB GLU 30 4.708 17.759 0.553 228 HG2 GLU 30 2HG GLU 30 3.818 19.396 -1.821 229 HG3 GLU 30 1HG GLU 30 4.522 20.153 -0.392 230 H MET 31 HN MET 31 1.829 14.998 -0.858 231 HA MET 31 HA MET 31 3.429 13.546 1.137 232 HB2 MET 31 2HB MET 31 0.571 13.333 0.218 233 HB3 MET 31 1HB MET 31 1.331 12.063 1.174 234 HG2 MET 31 2HG MET 31 1.679 14.847 2.159 235 HG3 MET 31 1HG MET 31 0.057 14.169 2.294 236 HE1 MET 31 1HE MET 31 -0.352 11.933 2.802 237 HE2 MET 31 2HE MET 31 -0.126 11.590 4.515 238 HE3 MET 31 3HE MET 31 0.846 10.738 3.319 239 H ASN 32 HN ASN 32 5.074 12.844 -0.314 240 HA ASN 32 HA ASN 32 4.198 10.682 -2.139 241 HB2 ASN 32 2HB ASN 32 6.071 11.222 -3.589 242 HB3 ASN 32 1HB ASN 32 5.077 12.659 -3.356 243 HD21 ASN 32 1HD2 ASN 32 5.882 14.210 -1.590 244 HD22 ASN 32 2HD2 ASN 32 7.559 14.336 -1.359 245 H LEU 33 HN LEU 33 5.131 8.745 -1.893 246 HA LEU 33 HA LEU 33 6.769 8.247 0.408 247 HB2 LEU 33 2HB LEU 33 4.971 6.739 -0.769 248 HB3 LEU 33 1HB LEU 33 6.324 6.242 -1.781 249 HG LEU 33 HG LEU 33 6.293 6.137 1.248 250 HD11 LEU 33 1HD1 LEU 33 5.877 4.016 -0.871 251 HD12 LEU 33 2HD1 LEU 33 4.771 4.472 0.426 252 HD13 LEU 33 3HD1 LEU 33 6.278 3.636 0.804 253 HD21 LEU 33 1HD2 LEU 33 8.325 5.493 -0.870 254 HD22 LEU 33 2HD2 LEU 33 8.298 4.542 0.615 255 HD23 LEU 33 3HD2 LEU 33 8.549 6.286 0.689 256 H GLU 34 HN GLU 34 8.891 8.572 0.467 257 HA GLU 34 HA GLU 34 10.418 8.622 -2.038 258 HB2 GLU 34 2HB GLU 34 11.156 9.460 0.772 259 HB3 GLU 34 1HB GLU 34 12.215 9.602 -0.631 260 HG2 GLU 34 2HG GLU 34 9.448 10.814 -0.590 261 HG3 GLU 34 1HG GLU 34 10.859 11.690 0.002 262 H SER 35 HN SER 35 10.262 6.872 1.034 263 HA SER 35 HA SER 35 11.709 4.651 -0.143 264 HB2 SER 35 2HB SER 35 13.573 4.633 1.291 265 HB3 SER 35 1HB SER 35 13.438 6.324 0.813 266 HG SER 35 HG SER 35 13.345 6.660 2.887 267 H VAL 36 HN VAL 36 11.765 2.762 1.416 268 HA VAL 36 HA VAL 36 9.763 2.998 3.540 269 HB VAL 36 HB VAL 36 8.851 2.167 1.233 270 HG11 VAL 36 1HG1 VAL 36 10.827 0.468 1.187 271 HG12 VAL 36 2HG1 VAL 36 9.226 -0.099 0.713 272 HG13 VAL 36 3HG1 VAL 36 9.847 -0.462 2.320 273 HG21 VAL 36 1HG2 VAL 36 8.396 1.147 4.004 274 HG22 VAL 36 2HG2 VAL 36 7.588 0.302 2.685 275 HG23 VAL 36 3HG2 VAL 36 7.298 2.023 2.938 276 H THR 37 HN THR 37 9.823 1.346 5.098 277 HA THR 37 HA THR 37 12.467 0.058 5.301 278 HB THR 37 HB THR 37 11.960 -0.070 7.712 279 HG1 THR 37 1HG THR 37 9.635 -0.230 7.243 280 HG21 THR 37 1HG2 THR 37 12.938 2.007 6.661 281 HG22 THR 37 2HG2 THR 37 12.088 2.282 8.181 282 HG23 THR 37 3HG2 THR 37 11.309 2.681 6.649 283 HA PRO 38 HA PRO 38 11.073 -4.144 4.757 284 HB2 PRO 38 2HB PRO 38 11.833 -4.605 7.602 285 HB3 PRO 38 1HB PRO 38 12.315 -5.499 6.151 286 HG2 PRO 38 2HG PRO 38 13.864 -3.650 7.487 287 HG3 PRO 38 1HG PRO 38 14.119 -4.201 5.827 288 HD2 PRO 38 2HD PRO 38 13.345 -1.581 6.713 289 HD3 PRO 38 1HD PRO 38 13.590 -2.135 5.047 290 H MET 39 HN MET 39 8.970 -4.884 4.894 291 HA MET 39 HA MET 39 7.266 -3.750 6.955 292 HB2 MET 39 2HB MET 39 6.490 -3.706 4.633 293 HB3 MET 39 1HB MET 39 6.616 -5.463 4.548 294 HG2 MET 39 2HG MET 39 4.709 -5.788 5.753 295 HG3 MET 39 1HG MET 39 5.023 -4.417 6.813 296 HE1 MET 39 1HE MET 39 3.490 -4.058 2.477 297 HE2 MET 39 2HE MET 39 3.712 -5.594 3.304 298 HE3 MET 39 3HE MET 39 5.109 -4.583 2.955 299 H THR 40 HN THR 40 6.319 -4.852 8.571 300 HA THR 40 HA THR 40 7.100 -7.682 8.849 301 HB THR 40 HB THR 40 6.264 -5.791 11.052 302 HG1 THR 40 1HG THR 40 8.885 -6.611 10.376 303 HG21 THR 40 1HG2 THR 40 6.460 -7.581 12.404 304 HG22 THR 40 2HG2 THR 40 8.029 -7.999 11.716 305 HG23 THR 40 3HG2 THR 40 6.550 -8.577 10.950 306 H LEU 41 HN LEU 41 5.463 -8.978 8.236 307 HA LEU 41 HA LEU 41 2.703 -8.154 8.867 308 HB2 LEU 41 2HB LEU 41 3.855 -10.138 6.908 309 HB3 LEU 41 1HB LEU 41 2.135 -10.051 7.282 310 HG LEU 41 HG LEU 41 2.899 -7.386 6.761 311 HD11 LEU 41 1HD1 LEU 41 4.979 -8.206 5.754 312 HD12 LEU 41 2HD1 LEU 41 3.902 -7.578 4.508 313 HD13 LEU 41 3HD1 LEU 41 4.060 -9.314 4.736 314 HD21 LEU 41 1HD2 LEU 41 0.754 -8.351 6.181 315 HD22 LEU 41 2HD2 LEU 41 1.531 -9.503 5.097 316 HD23 LEU 41 3HD2 LEU 41 1.518 -7.787 4.693 317 H THR 42 HN THR 42 1.988 -8.909 10.713 318 HA THR 42 HA THR 42 2.882 -11.560 11.631 319 HB THR 42 HB THR 42 2.898 -10.722 13.724 320 HG1 THR 42 1HG THR 42 0.950 -10.528 14.437 321 HG21 THR 42 1HG2 THR 42 2.251 -8.070 12.420 322 HG22 THR 42 2HG2 THR 42 3.842 -8.825 12.363 323 HG23 THR 42 3HG2 THR 42 3.157 -8.329 13.911 324 H THR 43 HN THR 43 1.441 -13.185 11.821 325 HA THR 43 HA THR 43 -1.323 -12.612 10.980 326 HB THR 43 HB THR 43 -0.015 -15.321 11.232 327 HG1 THR 43 1HG THR 43 0.243 -15.136 8.979 328 HG21 THR 43 1HG2 THR 43 -1.893 -16.066 9.918 329 HG22 THR 43 2HG2 THR 43 -2.430 -14.406 9.653 330 HG23 THR 43 3HG2 THR 43 -2.534 -15.122 11.265 331 H LEU 44 HN LEU 44 -2.487 -12.053 12.749 332 HA LEU 44 HA LEU 44 -1.919 -13.195 15.300 333 HB2 LEU 44 2HB LEU 44 -4.541 -11.888 14.802 334 HB3 LEU 44 1HB LEU 44 -3.475 -11.755 16.187 335 HG LEU 44 HG LEU 44 -2.981 -10.530 13.452 336 HD11 LEU 44 1HD1 LEU 44 -3.752 -8.553 14.291 337 HD12 LEU 44 2HD1 LEU 44 -3.160 -8.894 15.916 338 HD13 LEU 44 3HD1 LEU 44 -4.673 -9.610 15.361 339 HD21 LEU 44 1HD2 LEU 44 -0.866 -11.167 14.452 340 HD22 LEU 44 2HD2 LEU 44 -1.367 -10.537 16.020 341 HD23 LEU 44 3HD2 LEU 44 -1.065 -9.430 14.681 342 H GLU 45 HN GLU 45 -2.204 -15.177 15.658 343 HA GLU 45 HA GLU 45 -4.127 -16.869 14.369 344 HB2 GLU 45 2HB GLU 45 -2.759 -17.574 16.953 345 HB3 GLU 45 1HB GLU 45 -3.198 -18.627 15.608 346 HG2 GLU 45 2HG GLU 45 -0.992 -18.417 15.068 347 HG3 GLU 45 1HG GLU 45 -1.527 -16.903 14.341 348 H GLY 46 HN GLY 46 -5.378 -14.633 15.548 349 HA2 GLY 46 2HA GLY 46 -7.374 -15.979 17.140 350 HA3 GLY 46 1HA GLY 46 -6.466 -14.745 18.007 351 H GLY 47 HN GLY 47 -6.104 -12.838 16.005 352 HA2 GLY 47 2HA GLY 47 -8.880 -11.900 15.714 353 HA3 GLY 47 1HA GLY 47 -7.452 -10.878 15.777 354 H ASN 48 HN ASN 48 -5.818 -11.586 13.902 355 HA ASN 48 HA ASN 48 -6.673 -12.563 11.476 356 HB2 ASN 48 2HB ASN 48 -7.926 -10.100 12.070 357 HB3 ASN 48 1HB ASN 48 -6.802 -9.793 10.787 358 HD21 ASN 48 1HD2 ASN 48 -9.146 -12.338 11.711 359 HD22 ASN 48 2HD2 ASN 48 -9.721 -12.594 10.139 360 H LEU 49 HN LEU 49 -5.388 -9.796 10.217 361 HA LEU 49 HA LEU 49 -2.613 -10.744 10.622 362 HB2 LEU 49 2HB LEU 49 -4.170 -10.543 8.269 363 HB3 LEU 49 1HB LEU 49 -2.961 -9.266 8.188 364 HG LEU 49 HG LEU 49 -2.309 -12.163 8.814 365 HD11 LEU 49 1HD1 LEU 49 -1.717 -12.485 6.559 366 HD12 LEU 49 2HD1 LEU 49 -1.702 -10.755 6.221 367 HD13 LEU 49 3HD1 LEU 49 -3.235 -11.595 6.445 368 HD21 LEU 49 1HD2 LEU 49 -0.239 -10.434 7.684 369 HD22 LEU 49 2HD2 LEU 49 -0.183 -11.449 9.124 370 HD23 LEU 49 3HD2 LEU 49 -0.850 -9.820 9.219 371 H GLU 50 HN GLU 50 -1.087 -9.273 11.147 372 HA GLU 50 HA GLU 50 -1.899 -6.439 11.229 373 HB2 GLU 50 2HB GLU 50 -1.602 -7.327 13.487 374 HB3 GLU 50 1HB GLU 50 0.003 -7.920 13.057 375 HG2 GLU 50 2HG GLU 50 0.941 -5.867 13.260 376 HG3 GLU 50 1HG GLU 50 -0.397 -5.078 12.425 377 H ALA 51 HN ALA 51 -0.801 -5.158 9.932 378 HA ALA 51 HA ALA 51 1.856 -6.045 9.004 379 HB1 ALA 51 1HB ALA 51 -0.514 -5.121 7.554 380 HB2 ALA 51 2HB ALA 51 0.877 -6.044 6.977 381 HB3 ALA 51 3HB ALA 51 0.972 -4.283 7.093 382 H LYS 52 HN LYS 52 3.478 -4.797 9.635 383 HA LYS 52 HA LYS 52 2.904 -1.955 10.213 384 HB2 LYS 52 2HB LYS 52 5.077 -2.972 11.810 385 HB3 LYS 52 1HB LYS 52 3.592 -2.174 12.327 386 HG2 LYS 52 2HG LYS 52 2.379 -4.329 12.121 387 HG3 LYS 52 1HG LYS 52 3.886 -5.120 11.656 388 HD2 LYS 52 2HD LYS 52 4.106 -3.550 14.134 389 HD3 LYS 52 1HD LYS 52 2.962 -4.888 14.243 390 HE2 LYS 52 2HE LYS 52 4.676 -6.449 13.437 391 HE3 LYS 52 1HE LYS 52 5.823 -5.120 13.268 392 HZ1 LYS 52 1HZ LYS 52 5.089 -6.581 15.599 393 HZ2 LYS 52 2HZ LYS 52 4.869 -4.913 15.827 394 HZ3 LYS 52 3HZ LYS 52 6.387 -5.515 15.362 395 H VAL 53 HN VAL 53 4.110 -0.575 9.108 396 HA VAL 53 HA VAL 53 6.875 -1.220 8.482 397 HB VAL 53 HB VAL 53 5.619 -2.165 6.578 398 HG11 VAL 53 1HG1 VAL 53 3.705 -0.453 6.951 399 HG12 VAL 53 2HG1 VAL 53 4.102 -0.901 5.292 400 HG13 VAL 53 3HG1 VAL 53 4.677 0.629 5.955 401 HG21 VAL 53 1HG2 VAL 53 7.779 -0.459 6.469 402 HG22 VAL 53 2HG2 VAL 53 6.666 0.293 5.327 403 HG23 VAL 53 3HG2 VAL 53 7.165 -1.382 5.097 404 H THR 54 HN THR 54 8.078 0.623 7.920 405 HA THR 54 HA THR 54 6.730 3.165 8.570 406 HB THR 54 HB THR 54 9.673 2.518 8.724 407 HG1 THR 54 1HG THR 54 8.840 2.999 11.079 408 HG21 THR 54 1HG2 THR 54 9.516 4.829 8.407 409 HG22 THR 54 2HG2 THR 54 9.548 4.673 10.164 410 HG23 THR 54 3HG2 THR 54 8.019 4.950 9.330 411 H MET 55 HN MET 55 6.593 4.673 7.051 412 HA MET 55 HA MET 55 8.129 4.218 4.567 413 HB2 MET 55 2HB MET 55 5.925 6.007 4.181 414 HB3 MET 55 1HB MET 55 6.260 4.480 3.380 415 HG2 MET 55 2HG MET 55 5.309 3.395 5.550 416 HG3 MET 55 1HG MET 55 4.631 4.999 5.857 417 HE1 MET 55 1HE MET 55 4.356 5.708 2.471 418 HE2 MET 55 2HE MET 55 3.623 6.356 3.934 419 HE3 MET 55 3HE MET 55 2.599 5.701 2.660 420 H LEU 56 HN LEU 56 9.017 5.928 3.510 421 HA LEU 56 HA LEU 56 9.554 8.258 5.225 422 HB2 LEU 56 2HB LEU 56 11.534 7.055 4.338 423 HB3 LEU 56 1HB LEU 56 10.965 7.345 2.696 424 HG LEU 56 HG LEU 56 11.102 9.795 3.087 425 HD11 LEU 56 1HD1 LEU 56 12.598 10.297 5.229 426 HD12 LEU 56 2HD1 LEU 56 11.821 8.834 5.830 427 HD13 LEU 56 3HD1 LEU 56 10.841 10.218 5.348 428 HD21 LEU 56 1HD2 LEU 56 13.585 9.921 3.198 429 HD22 LEU 56 2HD2 LEU 56 13.034 8.640 2.119 430 HD23 LEU 56 3HD2 LEU 56 13.628 8.241 3.730 431 H ILE 57 HN ILE 57 7.551 9.226 4.841 432 HA ILE 57 HA ILE 57 6.815 9.955 2.133 433 HB ILE 57 HB ILE 57 5.497 10.383 4.815 434 HG12 ILE 57 2HG1 ILE 57 5.605 8.131 3.405 435 HG13 ILE 57 1HG1 ILE 57 4.127 8.611 4.229 436 HG21 ILE 57 1HG2 ILE 57 4.783 11.397 2.068 437 HG22 ILE 57 2HG2 ILE 57 4.841 12.289 3.587 438 HG23 ILE 57 3HG2 ILE 57 3.547 11.128 3.298 439 HD11 ILE 57 1HD1 ILE 57 4.675 9.429 1.372 440 HD12 ILE 57 2HD1 ILE 57 3.130 9.388 2.223 441 HD13 ILE 57 3HD1 ILE 57 3.923 7.885 1.760 442 H SER 58 HN SER 58 7.618 11.670 1.229 443 HA SER 58 HA SER 58 8.738 13.678 0.963 444 HB2 SER 58 2HB SER 58 6.225 14.151 1.600 445 HB3 SER 58 1HB SER 58 6.936 14.803 3.071 446 HG SER 58 HG SER 58 8.148 15.528 0.686 447 H GLY 59 HN GLY 59 10.318 12.168 2.563 448 HA2 GLY 59 2HA GLY 59 12.138 12.463 3.943 449 HA3 GLY 59 1HA GLY 59 11.666 14.148 4.131 450 H ARG 60 HN ARG 60 8.958 12.537 4.864 451 HA ARG 60 HA ARG 60 9.514 12.671 7.733 452 HB2 ARG 60 2HB ARG 60 7.453 13.695 6.323 453 HB3 ARG 60 1HB ARG 60 6.774 12.124 6.740 454 HG2 ARG 60 2HG ARG 60 6.153 13.390 8.589 455 HG3 ARG 60 1HG ARG 60 7.673 12.696 9.146 456 HD2 ARG 60 2HD ARG 60 7.981 14.950 9.656 457 HD3 ARG 60 1HD ARG 60 8.730 14.846 8.067 458 HE ARG 60 HE ARG 60 7.037 16.199 7.243 459 HH11 ARG 60 1HH1 ARG 60 5.140 17.433 7.442 460 HH12 ARG 60 2HH1 ARG 60 4.135 17.248 8.840 461 HH21 ARG 60 1HH2 ARG 60 6.161 14.845 10.304 462 HH22 ARG 60 2HH2 ARG 60 4.714 15.782 10.460 463 H CYS 61 HN CYS 61 9.652 10.911 8.969 464 HA CYS 61 HA CYS 61 9.336 8.275 7.747 465 HB2 CYS 61 2HB CYS 61 11.131 9.255 9.549 466 HB3 CYS 61 1HB CYS 61 9.960 8.509 10.635 467 H GLN 62 HN GLN 62 7.222 7.708 7.589 468 HA GLN 62 HA GLN 62 5.475 8.185 9.916 469 HB2 GLN 62 2HB GLN 62 4.960 7.745 6.993 470 HB3 GLN 62 1HB GLN 62 3.684 7.472 8.181 471 HG2 GLN 62 2HG GLN 62 5.216 10.003 8.456 472 HG3 GLN 62 1HG GLN 62 4.144 9.885 7.061 473 HE21 GLN 62 1HE2 GLN 62 3.852 8.743 10.482 474 HE22 GLN 62 2HE2 GLN 62 2.340 9.467 10.738 475 H GLU 63 HN GLU 63 5.218 6.566 11.279 476 HA GLU 63 HA GLU 63 5.765 3.818 10.526 477 HB2 GLU 63 2HB GLU 63 4.545 4.759 13.120 478 HB3 GLU 63 1HB GLU 63 5.498 3.306 12.826 479 HG2 GLU 63 2HG GLU 63 7.371 4.984 12.113 480 HG3 GLU 63 1HG GLU 63 6.423 6.161 13.022 481 H VAL 64 HN VAL 64 4.285 2.595 9.538 482 HA VAL 64 HA VAL 64 1.435 3.289 9.904 483 HB VAL 64 HB VAL 64 2.560 1.555 7.722 484 HG11 VAL 64 1HG1 VAL 64 0.549 2.386 6.542 485 HG12 VAL 64 2HG1 VAL 64 0.117 3.334 7.965 486 HG13 VAL 64 3HG1 VAL 64 0.129 1.571 8.048 487 HG21 VAL 64 1HG2 VAL 64 2.515 3.727 6.366 488 HG22 VAL 64 2HG2 VAL 64 3.847 3.552 7.510 489 HG23 VAL 64 3HG2 VAL 64 2.466 4.571 7.914 490 H LYS 65 HN LYS 65 -0.055 1.739 10.437 491 HA LYS 65 HA LYS 65 0.859 -1.021 10.882 492 HB2 LYS 65 2HB LYS 65 -0.522 -0.951 13.050 493 HB3 LYS 65 1HB LYS 65 1.066 -0.182 13.084 494 HG2 LYS 65 2HG LYS 65 0.203 1.921 13.227 495 HG3 LYS 65 1HG LYS 65 -1.170 1.532 12.199 496 HD2 LYS 65 2HD LYS 65 -1.011 0.308 14.938 497 HD3 LYS 65 1HD LYS 65 -1.538 1.981 14.777 498 HE2 LYS 65 2HE LYS 65 -2.759 -0.287 13.189 499 HE3 LYS 65 1HE LYS 65 -3.404 0.262 14.734 500 HZ1 LYS 65 1HZ LYS 65 -3.351 1.637 12.149 501 HZ2 LYS 65 2HZ LYS 65 -3.260 2.576 13.562 502 HZ3 LYS 65 3HZ LYS 65 -4.592 1.553 13.303 503 H ALA 66 HN ALA 66 -0.365 -1.989 9.456 504 HA ALA 66 HA ALA 66 -3.211 -1.292 9.221 505 HB1 ALA 66 1HB ALA 66 -2.935 -2.783 7.093 506 HB2 ALA 66 2HB ALA 66 -1.213 -2.480 7.329 507 HB3 ALA 66 3HB ALA 66 -2.321 -1.131 7.079 508 H VAL 67 HN VAL 67 -4.600 -2.578 10.175 509 HA VAL 67 HA VAL 67 -3.835 -5.344 10.761 510 HB VAL 67 HB VAL 67 -5.937 -3.525 11.939 511 HG11 VAL 67 1HG1 VAL 67 -6.314 -5.651 13.405 512 HG12 VAL 67 2HG1 VAL 67 -5.591 -6.513 12.047 513 HG13 VAL 67 3HG1 VAL 67 -7.073 -5.581 11.812 514 HG21 VAL 67 1HG2 VAL 67 -3.535 -5.004 13.066 515 HG22 VAL 67 2HG2 VAL 67 -4.701 -4.113 14.044 516 HG23 VAL 67 3HG2 VAL 67 -3.694 -3.257 12.875 517 H LEU 68 HN LEU 68 -4.546 -6.772 9.308 518 HA LEU 68 HA LEU 68 -6.782 -6.030 7.612 519 HB2 LEU 68 2HB LEU 68 -5.182 -8.575 7.508 520 HB3 LEU 68 1HB LEU 68 -6.090 -7.808 6.207 521 HG LEU 68 HG LEU 68 -3.592 -6.714 7.538 522 HD11 LEU 68 1HD1 LEU 68 -4.029 -7.450 4.639 523 HD12 LEU 68 2HD1 LEU 68 -3.478 -8.638 5.824 524 HD13 LEU 68 3HD1 LEU 68 -2.500 -7.210 5.493 525 HD21 LEU 68 1HD2 LEU 68 -3.922 -5.085 5.487 526 HD22 LEU 68 2HD2 LEU 68 -4.788 -4.786 6.994 527 HD23 LEU 68 3HD2 LEU 68 -5.610 -5.562 5.643 528 H GLU 69 HN GLU 69 -8.486 -6.177 9.298 529 HA GLU 69 HA GLU 69 -8.953 -8.675 10.582 530 HB2 GLU 69 2HB GLU 69 -10.869 -7.657 11.474 531 HB3 GLU 69 1HB GLU 69 -9.765 -6.301 11.251 532 HG2 GLU 69 2HG GLU 69 -10.843 -6.030 8.938 533 HG3 GLU 69 1HG GLU 69 -12.112 -7.097 9.532 534 H LYS 70 HN LYS 70 -10.045 -10.433 9.834 535 HA LYS 70 HA LYS 70 -10.696 -10.513 7.033 536 HB2 LYS 70 2HB LYS 70 -9.869 -12.470 8.415 537 HB3 LYS 70 1HB LYS 70 -11.497 -12.568 9.090 538 HG2 LYS 70 2HG LYS 70 -12.380 -12.736 6.739 539 HG3 LYS 70 1HG LYS 70 -10.712 -12.809 6.172 540 HD2 LYS 70 2HD LYS 70 -10.701 -15.021 6.562 541 HD3 LYS 70 1HD LYS 70 -10.933 -14.690 8.280 542 HE2 LYS 70 2HE LYS 70 -13.374 -14.619 7.943 543 HE3 LYS 70 1HE LYS 70 -13.150 -14.936 6.223 544 HZ1 LYS 70 1HZ LYS 70 -12.239 -17.058 6.697 545 HZ2 LYS 70 2HZ LYS 70 -13.674 -16.929 7.599 546 HZ3 LYS 70 3HZ LYS 70 -12.166 -16.741 8.361 547 H THR 71 HN THR 71 -12.650 -10.626 6.024 548 HA THR 71 HA THR 71 -14.989 -9.784 7.631 549 HB THR 71 HB THR 71 -15.837 -8.785 5.532 550 HG1 THR 71 1HG THR 71 -14.585 -8.818 3.727 551 HG21 THR 71 1HG2 THR 71 -14.736 -6.871 5.981 552 HG22 THR 71 2HG2 THR 71 -13.173 -7.573 5.569 553 HG23 THR 71 3HG2 THR 71 -13.844 -7.803 7.183 554 H ASP 72 HN ASP 72 -17.057 -10.285 6.120 555 HA ASP 72 HA ASP 72 -17.263 -13.145 6.114 556 HB2 ASP 72 2HB ASP 72 -19.245 -11.229 4.889 557 HB3 ASP 72 1HB ASP 72 -19.552 -12.815 5.594 558 H GLU 73 HN GLU 73 -15.750 -11.152 4.032 559 HA GLU 73 HA GLU 73 -16.462 -12.772 1.667 560 HB2 GLU 73 2HB GLU 73 -16.111 -9.908 2.045 561 HB3 GLU 73 1HB GLU 73 -15.112 -10.537 0.735 562 HG2 GLU 73 2HG GLU 73 -17.328 -9.868 -0.100 563 HG3 GLU 73 1HG GLU 73 -17.098 -11.606 -0.263 564 HA PRO 74 HA PRO 74 -12.193 -14.106 1.866 565 HB2 PRO 74 2HB PRO 74 -11.869 -15.136 -0.619 566 HB3 PRO 74 1HB PRO 74 -12.890 -15.923 0.603 567 HG2 PRO 74 2HG PRO 74 -13.681 -14.204 -1.700 568 HG3 PRO 74 1HG PRO 74 -14.431 -15.689 -1.091 569 HD2 PRO 74 2HD PRO 74 -15.389 -13.176 -0.524 570 HD3 PRO 74 1HD PRO 74 -15.619 -14.584 0.540 571 H GLY 75 HN GLY 75 -10.261 -13.074 1.604 572 HA2 GLY 75 2HA GLY 75 -8.616 -11.728 0.705 573 HA3 GLY 75 1HA GLY 75 -9.514 -11.715 -0.803 574 H LYS 76 HN LYS 76 -11.360 -10.813 1.891 575 HA LYS 76 HA LYS 76 -11.023 -7.951 1.215 576 HB2 LYS 76 2HB LYS 76 -13.212 -8.826 0.490 577 HB3 LYS 76 1HB LYS 76 -13.534 -9.371 2.136 578 HG2 LYS 76 2HG LYS 76 -13.452 -7.089 2.968 579 HG3 LYS 76 1HG LYS 76 -12.954 -6.492 1.385 580 HD2 LYS 76 2HD LYS 76 -15.146 -7.516 0.502 581 HD3 LYS 76 1HD LYS 76 -15.629 -7.632 2.195 582 HE2 LYS 76 2HE LYS 76 -14.856 -5.118 2.278 583 HE3 LYS 76 1HE LYS 76 -15.132 -5.186 0.538 584 HZ1 LYS 76 1HZ LYS 76 -17.121 -4.484 1.694 585 HZ2 LYS 76 2HZ LYS 76 -17.101 -5.888 2.649 586 HZ3 LYS 76 3HZ LYS 76 -17.375 -5.999 0.976 587 H TYR 77 HN TYR 77 -9.859 -7.054 2.826 588 HA TYR 77 HA TYR 77 -10.616 -7.769 5.594 589 HB2 TYR 77 2HB TYR 77 -7.905 -6.850 4.621 590 HB3 TYR 77 1HB TYR 77 -8.336 -7.269 6.278 591 HD1 TYR 77 1HD TYR 77 -7.772 -8.591 2.871 592 HD2 TYR 77 2HD TYR 77 -8.572 -9.564 6.973 593 HE1 TYR 77 1HE TYR 77 -7.223 -10.965 2.419 594 HE2 TYR 77 2HE TYR 77 -8.026 -11.939 6.519 595 HH TYR 77 HH TYR 77 -7.915 -13.259 3.538 596 H THR 78 HN THR 78 -10.342 -6.065 7.178 597 HA THR 78 HA THR 78 -10.461 -3.358 6.008 598 HB THR 78 HB THR 78 -12.112 -3.064 8.124 599 HG1 THR 78 1HG THR 78 -12.904 -4.902 8.687 600 HG21 THR 78 1HG2 THR 78 -13.962 -3.424 6.362 601 HG22 THR 78 2HG2 THR 78 -12.642 -3.813 5.258 602 HG23 THR 78 3HG2 THR 78 -12.722 -2.218 6.018 603 H ALA 79 HN ALA 79 -9.854 -1.642 7.437 604 HA ALA 79 HA ALA 79 -7.796 -2.505 9.300 605 HB1 ALA 79 1HB ALA 79 -8.581 0.098 8.061 606 HB2 ALA 79 2HB ALA 79 -7.032 -0.738 8.020 607 HB3 ALA 79 3HB ALA 79 -7.547 0.088 9.489 608 H ASP 80 HN ASP 80 -9.803 -3.445 10.592 609 HA ASP 80 HA ASP 80 -11.202 -3.323 12.404 610 HB2 ASP 80 2HB ASP 80 -8.925 -3.187 13.387 611 HB3 ASP 80 1HB ASP 80 -9.047 -1.429 13.356 612 H GLY 81 HN GLY 81 -12.101 -1.541 10.400 613 HA2 GLY 81 2HA GLY 81 -13.869 -0.008 10.397 614 HA3 GLY 81 1HA GLY 81 -13.510 0.375 12.081 615 H GLY 82 HN GLY 82 -11.085 0.234 9.584 616 HA2 GLY 82 2HA GLY 82 -10.501 3.084 10.029 617 HA3 GLY 82 1HA GLY 82 -9.418 1.904 9.288 618 H LYS 83 HN LYS 83 -12.813 2.371 8.592 619 HA LYS 83 HA LYS 83 -13.830 2.507 6.487 620 HB2 LYS 83 2HB LYS 83 -12.192 5.019 6.273 621 HB3 LYS 83 1HB LYS 83 -13.881 4.756 5.835 622 HG2 LYS 83 2HG LYS 83 -12.762 4.780 8.658 623 HG3 LYS 83 1HG LYS 83 -13.739 6.051 7.918 624 HD2 LYS 83 2HD LYS 83 -15.398 4.012 7.471 625 HD3 LYS 83 1HD LYS 83 -14.562 3.342 8.871 626 HE2 LYS 83 2HE LYS 83 -16.485 4.578 9.669 627 HE3 LYS 83 1HE LYS 83 -15.036 5.488 10.093 628 HZ1 LYS 83 1HZ LYS 83 -15.829 6.259 7.528 629 HZ2 LYS 83 2HZ LYS 83 -15.815 7.193 8.947 630 HZ3 LYS 83 3HZ LYS 83 -17.201 6.311 8.522 631 H HIS 84 HN HIS 84 -11.250 1.055 6.387 632 HA HIS 84 HA HIS 84 -10.643 1.568 3.573 633 HB2 HIS 84 2HB HIS 84 -8.795 1.658 5.814 634 HB3 HIS 84 1HB HIS 84 -8.314 0.476 4.603 635 HD1 HIS 84 1HD HIS 84 -8.686 4.142 5.158 636 HD2 HIS 84 2HD HIS 84 -7.830 1.577 1.987 637 HE1 HIS 84 1HE HIS 84 -7.815 5.595 3.273 638 H VAL 85 HN VAL 85 -10.483 -0.175 2.313 639 HA VAL 85 HA VAL 85 -10.875 -2.794 3.620 640 HB VAL 85 HB VAL 85 -11.776 -2.143 0.836 641 HG11 VAL 85 1HG1 VAL 85 -12.803 -4.163 2.835 642 HG12 VAL 85 2HG1 VAL 85 -11.513 -4.523 1.688 643 HG13 VAL 85 3HG1 VAL 85 -13.123 -4.106 1.101 644 HG21 VAL 85 1HG2 VAL 85 -13.304 -1.831 3.439 645 HG22 VAL 85 2HG2 VAL 85 -14.049 -1.805 1.841 646 HG23 VAL 85 3HG2 VAL 85 -12.903 -0.547 2.300 647 H ALA 86 HN ALA 86 -8.965 -3.815 3.534 648 HA ALA 86 HA ALA 86 -7.247 -3.485 1.213 649 HB1 ALA 86 1HB ALA 86 -5.998 -3.217 3.156 650 HB2 ALA 86 2HB ALA 86 -5.661 -4.883 2.675 651 HB3 ALA 86 3HB ALA 86 -6.818 -4.551 3.968 652 H TYR 87 HN TYR 87 -6.471 -5.127 -0.011 653 HA TYR 87 HA TYR 87 -7.768 -7.756 0.307 654 HB2 TYR 87 2HB TYR 87 -7.323 -6.196 -2.247 655 HB3 TYR 87 1HB TYR 87 -7.775 -7.895 -2.206 656 HD1 TYR 87 1HD TYR 87 -8.839 -4.583 -0.810 657 HD2 TYR 87 2HD TYR 87 -10.039 -8.465 -2.200 658 HE1 TYR 87 1HE TYR 87 -11.219 -3.934 -0.565 659 HE2 TYR 87 2HE TYR 87 -12.420 -7.817 -1.951 660 HH TYR 87 HH TYR 87 -13.716 -6.095 -0.504 661 H ILE 88 HN ILE 88 -6.414 -9.459 0.149 662 HA ILE 88 HA ILE 88 -3.595 -8.925 -0.573 663 HB ILE 88 HB ILE 88 -4.411 -11.295 1.071 664 HG12 ILE 88 2HG1 ILE 88 -4.026 -8.458 2.070 665 HG13 ILE 88 1HG1 ILE 88 -5.481 -9.440 2.228 666 HG21 ILE 88 1HG2 ILE 88 -2.029 -10.541 0.069 667 HG22 ILE 88 2HG2 ILE 88 -2.177 -11.368 1.619 668 HG23 ILE 88 3HG2 ILE 88 -1.999 -9.613 1.572 669 HD11 ILE 88 1HD1 ILE 88 -2.951 -9.558 3.765 670 HD12 ILE 88 2HD1 ILE 88 -3.647 -11.120 3.333 671 HD13 ILE 88 3HD1 ILE 88 -4.592 -9.963 4.269 672 H ILE 89 HN ILE 89 -2.865 -9.889 -2.335 673 HA ILE 89 HA ILE 89 -4.193 -12.359 -3.258 674 HB ILE 89 HB ILE 89 -3.018 -10.707 -5.374 675 HG12 ILE 89 2HG1 ILE 89 -4.017 -8.921 -3.966 676 HG13 ILE 89 1HG1 ILE 89 -4.871 -9.114 -5.493 677 HG21 ILE 89 1HG2 ILE 89 -5.678 -12.118 -5.015 678 HG22 ILE 89 2HG2 ILE 89 -4.259 -12.748 -5.848 679 HG23 ILE 89 3HG2 ILE 89 -5.127 -11.365 -6.512 680 HD11 ILE 89 1HD1 ILE 89 -5.980 -9.229 -2.907 681 HD12 ILE 89 2HD1 ILE 89 -6.005 -10.886 -3.509 682 HD13 ILE 89 3HD1 ILE 89 -6.786 -9.600 -4.428 683 H ARG 90 HN ARG 90 -2.903 -13.745 -4.549 684 HA ARG 90 HA ARG 90 -0.051 -13.640 -3.843 685 HB2 ARG 90 2HB ARG 90 -1.424 -15.698 -3.338 686 HB3 ARG 90 1HB ARG 90 -1.579 -15.941 -5.078 687 HG2 ARG 90 2HG ARG 90 1.147 -15.490 -4.709 688 HG3 ARG 90 1HG ARG 90 0.693 -16.495 -3.333 689 HD2 ARG 90 2HD ARG 90 1.312 -17.937 -5.194 690 HD3 ARG 90 1HD ARG 90 -0.420 -18.080 -4.905 691 HE ARG 90 HE ARG 90 0.112 -16.064 -6.850 692 HH11 ARG 90 1HH1 ARG 90 -0.357 -16.559 -9.018 693 HH12 ARG 90 2HH1 ARG 90 -0.545 -18.212 -9.502 694 HH21 ARG 90 1HH2 ARG 90 0.035 -19.483 -6.328 695 HH22 ARG 90 2HH2 ARG 90 -0.322 -19.867 -7.978 696 H SER 91 HN SER 91 0.968 -12.396 -5.331 697 HA SER 91 HA SER 91 0.430 -11.812 -7.908 698 HB2 SER 91 2HB SER 91 2.557 -11.026 -8.027 699 HB3 SER 91 1HB SER 91 2.580 -11.413 -6.309 700 HG SER 91 HG SER 91 3.131 -13.651 -7.412 701 H HIS 92 HN HIS 92 1.459 -12.591 -9.937 702 HA HIS 92 HA HIS 92 0.808 -15.354 -10.360 703 HB2 HIS 92 2HB HIS 92 2.031 -13.228 -12.130 704 HB3 HIS 92 1HB HIS 92 1.708 -14.872 -12.682 705 HD1 HIS 92 1HD HIS 92 -0.605 -13.136 -10.287 706 HD2 HIS 92 2HD HIS 92 -0.463 -14.084 -14.344 707 HE1 HIS 92 1HE HIS 92 -2.917 -12.672 -11.212 708 H VAL 93 HN VAL 93 3.421 -13.893 -9.006 709 HA VAL 93 HA VAL 93 5.259 -16.055 -9.856 710 HB VAL 93 HB VAL 93 5.927 -13.228 -9.008 711 HG11 VAL 93 1HG1 VAL 93 8.255 -14.061 -9.813 712 HG12 VAL 93 2HG1 VAL 93 7.597 -15.676 -9.557 713 HG13 VAL 93 3HG1 VAL 93 7.708 -14.547 -8.209 714 HG21 VAL 93 1HG2 VAL 93 6.293 -12.753 -11.237 715 HG22 VAL 93 2HG2 VAL 93 5.021 -13.960 -11.426 716 HG23 VAL 93 3HG2 VAL 93 6.710 -14.420 -11.630 717 H LYS 94 HN LYS 94 6.896 -16.603 -8.171 718 HA LYS 94 HA LYS 94 5.549 -17.001 -5.641 719 HB2 LYS 94 2HB LYS 94 6.833 -18.831 -6.627 720 HB3 LYS 94 1HB LYS 94 8.294 -17.844 -6.595 721 HG2 LYS 94 2HG LYS 94 8.346 -17.816 -4.210 722 HG3 LYS 94 1HG LYS 94 6.704 -18.453 -4.097 723 HD2 LYS 94 2HD LYS 94 7.397 -20.595 -4.351 724 HD3 LYS 94 1HD LYS 94 8.514 -20.170 -5.648 725 HE2 LYS 94 2HE LYS 94 9.012 -19.744 -2.685 726 HE3 LYS 94 1HE LYS 94 9.737 -21.012 -3.676 727 HZ1 LYS 94 1HZ LYS 94 10.117 -18.542 -4.948 728 HZ2 LYS 94 2HZ LYS 94 11.290 -19.593 -4.312 729 HZ3 LYS 94 3HZ LYS 94 10.610 -18.383 -3.334 730 H ASP 95 HN ASP 95 6.534 -16.525 -3.599 731 HA ASP 95 HA ASP 95 7.409 -15.094 -2.045 732 HB2 ASP 95 2HB ASP 95 9.476 -15.328 -4.134 733 HB3 ASP 95 1HB ASP 95 9.619 -13.893 -3.125 734 H HIS 96 HN HIS 96 5.536 -14.108 -4.243 735 HA HIS 96 HA HIS 96 5.939 -11.241 -3.673 736 HB2 HIS 96 2HB HIS 96 5.559 -12.534 -6.355 737 HB3 HIS 96 1HB HIS 96 5.000 -10.884 -6.069 738 HD1 HIS 96 1HD HIS 96 8.163 -12.975 -5.864 739 HD2 HIS 96 2HD HIS 96 7.028 -8.968 -6.058 740 HE1 HIS 96 1HE HIS 96 10.293 -11.627 -6.134 741 H TYR 97 HN TYR 97 4.111 -10.101 -3.235 742 HA TYR 97 HA TYR 97 1.512 -11.410 -3.678 743 HB2 TYR 97 2HB TYR 97 2.736 -10.695 -1.071 744 HB3 TYR 97 1HB TYR 97 1.026 -10.312 -1.276 745 HD1 TYR 97 1HD TYR 97 3.512 -13.058 -1.687 746 HD2 TYR 97 2HD TYR 97 -0.609 -12.008 -1.102 747 HE1 TYR 97 1HE TYR 97 2.943 -15.456 -1.378 748 HE2 TYR 97 2HE TYR 97 -1.182 -14.397 -0.801 749 HH TYR 97 HH TYR 97 1.323 -16.875 -0.622 750 H ILE 98 HN ILE 98 -0.105 -10.059 -4.233 751 HA ILE 98 HA ILE 98 0.568 -7.251 -4.654 752 HB ILE 98 HB ILE 98 -1.986 -8.654 -5.428 753 HG12 ILE 98 2HG1 ILE 98 -0.178 -10.013 -6.312 754 HG13 ILE 98 1HG1 ILE 98 -0.920 -9.107 -7.627 755 HG21 ILE 98 1HG2 ILE 98 -1.774 -6.953 -7.348 756 HG22 ILE 98 2HG2 ILE 98 -0.553 -6.170 -6.350 757 HG23 ILE 98 3HG2 ILE 98 -2.203 -6.332 -5.754 758 HD11 ILE 98 1HD1 ILE 98 1.781 -8.807 -6.395 759 HD12 ILE 98 2HD1 ILE 98 0.992 -7.332 -6.953 760 HD13 ILE 98 3HD1 ILE 98 1.298 -8.652 -8.082 761 H PHE 99 HN PHE 99 -0.175 -5.694 -3.305 762 HA PHE 99 HA PHE 99 -2.355 -6.444 -1.477 763 HB2 PHE 99 2HB PHE 99 -0.105 -6.032 -0.423 764 HB3 PHE 99 1HB PHE 99 -0.185 -4.381 -1.032 765 HD1 PHE 99 1HD PHE 99 -1.198 -6.639 1.569 766 HD2 PHE 99 2HD PHE 99 -2.204 -2.942 -0.366 767 HE1 PHE 99 1HE PHE 99 -2.577 -5.993 3.522 768 HE2 PHE 99 2HE PHE 99 -3.580 -2.291 1.590 769 HZ PHE 99 HZ PHE 99 -3.767 -3.816 3.535 770 H TYR 100 HN TYR 100 -4.166 -5.251 -1.651 771 HA TYR 100 HA TYR 100 -3.989 -2.632 -3.030 772 HB2 TYR 100 2HB TYR 100 -4.869 -4.064 -4.695 773 HB3 TYR 100 1HB TYR 100 -5.880 -4.923 -3.540 774 HD1 TYR 100 1HD TYR 100 -5.310 -1.427 -4.775 775 HD2 TYR 100 2HD TYR 100 -8.148 -4.368 -3.461 776 HE1 TYR 100 1HE TYR 100 -7.161 0.142 -5.273 777 HE2 TYR 100 2HE TYR 100 -10.001 -2.797 -3.951 778 HH TYR 100 HH TYR 100 -9.601 -0.011 -5.810 779 H SER 101 HN SER 101 -5.481 -1.069 -2.333 780 HA SER 101 HA SER 101 -7.344 -1.764 -0.236 781 HB2 SER 101 2HB SER 101 -6.134 0.224 1.119 782 HB3 SER 101 1HB SER 101 -5.768 -1.478 1.377 783 HG SER 101 HG SER 101 -4.458 0.153 -0.537 784 H GLU 102 HN GLU 102 -8.867 -0.221 0.180 785 HA GLU 102 HA GLU 102 -8.732 2.288 -1.369 786 HB2 GLU 102 2HB GLU 102 -11.396 1.481 -1.541 787 HB3 GLU 102 1HB GLU 102 -10.215 1.472 -2.850 788 HG2 GLU 102 2HG GLU 102 -9.539 -0.812 -2.238 789 HG3 GLU 102 1HG GLU 102 -10.701 -0.809 -0.913 790 H GLY 103 HN GLY 103 -10.059 3.918 -0.596 791 HA2 GLY 103 2HA GLY 103 -11.873 3.787 1.524 792 HA3 GLY 103 1HA GLY 103 -10.284 4.118 2.210 793 H GLU 104 HN GLU 104 -10.628 6.234 2.816 794 HA GLU 104 HA GLU 104 -10.459 8.204 0.720 795 HB2 GLU 104 2HB GLU 104 -12.480 9.434 1.281 796 HB3 GLU 104 1HB GLU 104 -12.903 7.790 0.795 797 HG2 GLU 104 2HG GLU 104 -12.701 7.256 3.335 798 HG3 GLU 104 1HG GLU 104 -12.877 8.998 3.544 799 H LEU 105 HN LEU 105 -9.631 10.108 1.415 800 HA LEU 105 HA LEU 105 -8.930 10.257 4.283 801 HB2 LEU 105 2HB LEU 105 -7.169 10.097 2.266 802 HB3 LEU 105 1HB LEU 105 -7.410 11.842 2.276 803 HG LEU 105 HG LEU 105 -7.096 11.565 4.885 804 HD11 LEU 105 1HD1 LEU 105 -6.971 8.978 4.415 805 HD12 LEU 105 2HD1 LEU 105 -5.882 9.700 5.599 806 HD13 LEU 105 3HD1 LEU 105 -5.301 9.333 3.974 807 HD21 LEU 105 1HD2 LEU 105 -5.581 12.909 3.617 808 HD22 LEU 105 2HD2 LEU 105 -4.929 11.503 2.775 809 HD23 LEU 105 3HD2 LEU 105 -4.574 11.749 4.483 810 H HIS 106 HN HIS 106 -10.534 11.481 5.117 811 HA HIS 106 HA HIS 106 -11.684 13.381 5.654 812 HB2 HIS 106 2HB HIS 106 -9.863 14.928 3.821 813 HB3 HIS 106 1HB HIS 106 -10.683 15.484 5.280 814 HD1 HIS 106 1HD HIS 106 -9.624 12.363 6.349 815 HD2 HIS 106 2HD HIS 106 -7.521 15.862 5.507 816 HE1 HIS 106 1HE HIS 106 -7.417 12.187 7.580 817 H GLY 107 HN GLY 107 -12.560 11.750 3.485 818 HA2 GLY 107 2HA GLY 107 -14.490 11.950 2.170 819 HA3 GLY 107 1HA GLY 107 -14.297 13.700 2.183 820 H LYS 108 HN LYS 108 -11.397 12.110 1.466 821 HA LYS 108 HA LYS 108 -11.795 12.625 -1.422 822 HB2 LYS 108 2HB LYS 108 -9.324 12.810 0.295 823 HB3 LYS 108 1HB LYS 108 -9.283 12.838 -1.467 824 HG2 LYS 108 2HG LYS 108 -9.992 14.979 -1.547 825 HG3 LYS 108 1HG LYS 108 -11.288 14.667 -0.393 826 HD2 LYS 108 2HD LYS 108 -9.833 14.989 1.475 827 HD3 LYS 108 1HD LYS 108 -8.398 14.964 0.449 828 HE2 LYS 108 2HE LYS 108 -10.571 17.036 0.113 829 HE3 LYS 108 1HE LYS 108 -9.213 17.273 1.214 830 HZ1 LYS 108 1HZ LYS 108 -8.837 18.201 -1.024 831 HZ2 LYS 108 2HZ LYS 108 -8.942 16.633 -1.672 832 HZ3 LYS 108 3HZ LYS 108 -7.689 17.028 -0.594 833 HA PRO 109 HA PRO 109 -11.691 8.015 -1.230 834 HB2 PRO 109 2HB PRO 109 -11.700 8.608 -4.168 835 HB3 PRO 109 1HB PRO 109 -12.584 7.358 -3.270 836 HG2 PRO 109 2HG PRO 109 -13.801 9.571 -4.061 837 HG3 PRO 109 1HG PRO 109 -14.158 8.845 -2.484 838 HD2 PRO 109 2HD PRO 109 -12.625 11.316 -3.110 839 HD3 PRO 109 1HD PRO 109 -13.559 10.909 -1.653 840 H VAL 110 HN VAL 110 -9.848 6.817 -1.060 841 HA VAL 110 HA VAL 110 -7.633 7.401 -2.901 842 HB VAL 110 HB VAL 110 -6.733 8.627 -1.175 843 HG11 VAL 110 1HG1 VAL 110 -8.199 8.681 0.578 844 HG12 VAL 110 2HG1 VAL 110 -7.038 7.554 1.276 845 HG13 VAL 110 3HG1 VAL 110 -8.506 6.945 0.515 846 HG21 VAL 110 1HG2 VAL 110 -5.369 6.490 -1.657 847 HG22 VAL 110 2HG2 VAL 110 -5.980 5.904 -0.109 848 HG23 VAL 110 3HG2 VAL 110 -4.998 7.365 -0.173 849 H ARG 111 HN ARG 111 -6.669 5.643 -3.644 850 HA ARG 111 HA ARG 111 -6.712 3.150 -2.151 851 HB2 ARG 111 2HB ARG 111 -7.868 1.866 -3.804 852 HB3 ARG 111 1HB ARG 111 -8.869 3.284 -3.487 853 HG2 ARG 111 2HG ARG 111 -7.734 4.397 -5.470 854 HG3 ARG 111 1HG ARG 111 -7.012 2.834 -5.844 855 HD2 ARG 111 2HD ARG 111 -8.910 2.090 -6.790 856 HD3 ARG 111 1HD ARG 111 -9.876 2.574 -5.404 857 HE ARG 111 HE ARG 111 -9.571 4.026 -7.861 858 HH11 ARG 111 1HH1 ARG 111 -10.633 6.029 -7.994 859 HH12 ARG 111 2HH1 ARG 111 -11.198 6.800 -6.548 860 HH21 ARG 111 1HH2 ARG 111 -10.066 4.287 -4.447 861 HH22 ARG 111 2HH2 ARG 111 -10.877 5.813 -4.541 862 H GLY 112 HN GLY 112 -5.165 1.611 -2.943 863 HA2 GLY 112 2HA GLY 112 -3.592 2.313 -5.277 864 HA3 GLY 112 1HA GLY 112 -2.754 2.544 -3.750 865 H VAL 113 HN VAL 113 -1.790 0.855 -5.609 866 HA VAL 113 HA VAL 113 -2.304 -1.843 -4.530 867 HB VAL 113 HB VAL 113 -0.944 -1.273 -7.145 868 HG11 VAL 113 1HG1 VAL 113 -1.330 -3.514 -7.561 869 HG12 VAL 113 2HG1 VAL 113 -2.850 -3.518 -6.657 870 HG13 VAL 113 3HG1 VAL 113 -1.312 -3.565 -5.794 871 HG21 VAL 113 1HG2 VAL 113 -3.411 -1.766 -8.026 872 HG22 VAL 113 2HG2 VAL 113 -2.872 -0.124 -7.675 873 HG23 VAL 113 3HG2 VAL 113 -3.847 -1.000 -6.500 874 H LYS 114 HN LYS 114 -0.557 -2.895 -3.640 875 HA LYS 114 HA LYS 114 2.101 -1.678 -4.026 876 HB2 LYS 114 2HB LYS 114 1.711 -3.065 -1.493 877 HB3 LYS 114 1HB LYS 114 2.389 -1.465 -1.816 878 HG2 LYS 114 2HG LYS 114 0.081 -0.597 -2.170 879 HG3 LYS 114 1HG LYS 114 -0.554 -2.178 -1.726 880 HD2 LYS 114 2HD LYS 114 0.172 -1.992 0.496 881 HD3 LYS 114 1HD LYS 114 1.311 -0.713 0.097 882 HE2 LYS 114 2HE LYS 114 -1.508 -0.112 -0.540 883 HE3 LYS 114 1HE LYS 114 -1.140 -0.252 1.180 884 HZ1 LYS 114 1HZ LYS 114 0.903 1.216 0.427 885 HZ2 LYS 114 2HZ LYS 114 -0.584 1.904 0.872 886 HZ3 LYS 114 3HZ LYS 114 -0.196 1.701 -0.770 887 H LEU 115 HN LEU 115 3.674 -3.018 -4.648 888 HA LEU 115 HA LEU 115 3.099 -5.901 -4.759 889 HB2 LEU 115 2HB LEU 115 3.798 -5.012 -6.886 890 HB3 LEU 115 1HB LEU 115 5.146 -4.153 -6.165 891 HG LEU 115 HG LEU 115 6.223 -6.304 -5.609 892 HD11 LEU 115 1HD1 LEU 115 3.585 -7.334 -6.525 893 HD12 LEU 115 2HD1 LEU 115 4.653 -7.949 -5.262 894 HD13 LEU 115 3HD1 LEU 115 5.003 -8.285 -6.959 895 HD21 LEU 115 1HD2 LEU 115 6.054 -7.166 -8.217 896 HD22 LEU 115 2HD2 LEU 115 7.103 -5.863 -7.653 897 HD23 LEU 115 3HD2 LEU 115 5.531 -5.485 -8.354 898 H VAL 116 HN VAL 116 3.901 -7.090 -3.164 899 HA VAL 116 HA VAL 116 6.384 -6.162 -1.896 900 HB VAL 116 HB VAL 116 5.583 -6.571 0.213 901 HG11 VAL 116 1HG1 VAL 116 3.557 -5.456 0.402 902 HG12 VAL 116 2HG1 VAL 116 2.854 -6.289 -0.982 903 HG13 VAL 116 3HG1 VAL 116 4.027 -4.997 -1.234 904 HG21 VAL 116 1HG2 VAL 116 5.057 -8.869 0.102 905 HG22 VAL 116 2HG2 VAL 116 3.818 -8.620 -1.123 906 HG23 VAL 116 3HG2 VAL 116 3.536 -8.103 0.539 907 H GLY 117 HN GLY 117 7.966 -7.618 -1.474 908 HA2 GLY 117 2HA GLY 117 7.464 -10.451 -1.863 909 HA3 GLY 117 1HA GLY 117 8.497 -9.705 -3.076 910 H ARG 118 HN ARG 118 9.462 -11.736 -1.532 911 HA ARG 118 HA ARG 118 10.678 -11.167 0.867 912 HB2 ARG 118 2HB ARG 118 10.630 -13.400 -0.235 913 HB3 ARG 118 1HB ARG 118 11.876 -12.846 -1.350 914 HG2 ARG 118 2HG ARG 118 13.508 -13.158 0.180 915 HG3 ARG 118 1HG ARG 118 12.595 -12.324 1.436 916 HD2 ARG 118 2HD ARG 118 11.283 -14.340 1.866 917 HD3 ARG 118 1HD ARG 118 12.102 -15.180 0.553 918 HE ARG 118 HE ARG 118 14.110 -14.322 2.257 919 HH11 ARG 118 1HH1 ARG 118 14.934 -15.678 3.882 920 HH12 ARG 118 2HH1 ARG 118 13.964 -16.979 4.491 921 HH21 ARG 118 1HH2 ARG 118 11.265 -16.284 2.428 922 HH22 ARG 118 2HH2 ARG 118 11.887 -17.321 3.667 923 H ASP 119 HN ASP 119 11.172 -9.446 -1.927 924 HA ASP 119 HA ASP 119 12.535 -7.611 -2.213 925 HB2 ASP 119 2HB ASP 119 12.965 -7.969 0.363 926 HB3 ASP 119 1HB ASP 119 14.537 -8.522 -0.209 927 HA PRO 120 HA PRO 120 15.763 -10.643 -4.003 928 HB2 PRO 120 2HB PRO 120 14.509 -11.738 -6.149 929 HB3 PRO 120 1HB PRO 120 14.455 -12.493 -4.541 930 HG2 PRO 120 2HG PRO 120 12.424 -10.780 -5.895 931 HG3 PRO 120 1HG PRO 120 12.196 -12.278 -4.971 932 HD2 PRO 120 2HD PRO 120 11.743 -9.815 -3.886 933 HD3 PRO 120 1HD PRO 120 12.319 -11.199 -2.930 934 H LYS 121 HN LYS 121 13.480 -8.337 -5.015 935 HA LYS 121 HA LYS 121 13.376 -6.800 -6.742 936 HB2 LYS 121 2HB LYS 121 15.032 -5.898 -5.096 937 HB3 LYS 121 1HB LYS 121 16.318 -6.593 -6.083 938 HG2 LYS 121 2HG LYS 121 16.268 -4.749 -7.371 939 HG3 LYS 121 1HG LYS 121 14.628 -5.178 -7.861 940 HD2 LYS 121 2HD LYS 121 13.747 -4.010 -5.851 941 HD3 LYS 121 1HD LYS 121 15.392 -3.527 -5.433 942 HE2 LYS 121 2HE LYS 121 14.204 -2.882 -8.133 943 HE3 LYS 121 1HE LYS 121 13.962 -1.824 -6.745 944 HZ1 LYS 121 1HZ LYS 121 16.618 -2.715 -7.724 945 HZ2 LYS 121 2HZ LYS 121 16.312 -1.574 -6.503 946 HZ3 LYS 121 3HZ LYS 121 15.906 -1.227 -8.118 947 H ASN 122 HN ASN 122 13.062 -8.641 -8.315 948 HA ASN 122 HA ASN 122 14.510 -8.199 -10.644 949 HB2 ASN 122 2HB ASN 122 15.918 -9.925 -8.818 950 HB3 ASN 122 1HB ASN 122 15.475 -10.828 -10.258 951 HD21 ASN 122 1HD2 ASN 122 16.283 -7.334 -10.000 952 HD22 ASN 122 2HD2 ASN 122 17.611 -7.416 -11.054 953 H ASN 123 HN ASN 123 11.778 -9.062 -9.422 954 HA ASN 123 HA ASN 123 11.309 -11.381 -11.179 955 HB2 ASN 123 2HB ASN 123 9.855 -10.258 -8.799 956 HB3 ASN 123 1HB ASN 123 9.061 -11.357 -9.927 957 HD21 ASN 123 1HD2 ASN 123 12.445 -11.912 -9.676 958 HD22 ASN 123 2HD2 ASN 123 12.373 -13.244 -8.627 959 H LEU 124 HN LEU 124 11.608 -9.696 -12.929 960 HA LEU 124 HA LEU 124 9.956 -7.583 -13.447 961 HB2 LEU 124 2HB LEU 124 11.916 -8.869 -14.777 962 HB3 LEU 124 1HB LEU 124 10.529 -9.493 -15.659 963 HG LEU 124 HG LEU 124 11.424 -7.506 -16.724 964 HD11 LEU 124 1HD1 LEU 124 8.851 -6.620 -15.457 965 HD12 LEU 124 2HD1 LEU 124 8.878 -8.047 -16.494 966 HD13 LEU 124 3HD1 LEU 124 9.361 -6.478 -17.138 967 HD21 LEU 124 1HD2 LEU 124 10.517 -5.647 -14.633 968 HD22 LEU 124 2HD2 LEU 124 11.960 -5.583 -15.646 969 HD23 LEU 124 3HD2 LEU 124 11.940 -6.597 -14.203 970 H GLU 125 HN GLU 125 9.290 -10.942 -13.401 971 HA GLU 125 HA GLU 125 6.869 -10.794 -14.907 972 HB2 GLU 125 2HB GLU 125 7.934 -12.899 -13.009 973 HB3 GLU 125 1HB GLU 125 6.519 -13.108 -14.048 974 HG2 GLU 125 2HG GLU 125 9.163 -12.256 -15.215 975 HG3 GLU 125 1HG GLU 125 8.837 -13.961 -14.899 976 H ALA 126 HN ALA 126 7.806 -10.556 -11.542 977 HA ALA 126 HA ALA 126 5.122 -10.582 -10.537 978 HB1 ALA 126 1HB ALA 126 6.955 -11.131 -9.015 979 HB2 ALA 126 2HB ALA 126 6.164 -9.659 -8.460 980 HB3 ALA 126 3HB ALA 126 7.707 -9.561 -9.311 981 H LEU 127 HN LEU 127 7.562 -8.102 -11.328 982 HA LEU 127 HA LEU 127 6.004 -5.890 -10.610 983 HB2 LEU 127 2HB LEU 127 8.426 -6.396 -12.148 984 HB3 LEU 127 1HB LEU 127 7.486 -5.064 -12.817 985 HG LEU 127 HG LEU 127 8.130 -5.274 -9.870 986 HD11 LEU 127 1HD1 LEU 127 9.749 -4.222 -12.162 987 HD12 LEU 127 2HD1 LEU 127 10.286 -5.056 -10.703 988 HD13 LEU 127 3HD1 LEU 127 9.799 -3.363 -10.623 989 HD21 LEU 127 1HD2 LEU 127 7.019 -3.305 -9.700 990 HD22 LEU 127 2HD2 LEU 127 6.367 -3.673 -11.297 991 HD23 LEU 127 3HD2 LEU 127 7.797 -2.653 -11.142 992 H GLU 128 HN GLU 128 6.164 -7.701 -13.662 993 HA GLU 128 HA GLU 128 4.409 -5.974 -15.077 994 HB2 GLU 128 2HB GLU 128 5.982 -7.857 -15.963 995 HB3 GLU 128 1HB GLU 128 4.617 -8.923 -15.625 996 HG2 GLU 128 2HG GLU 128 3.200 -7.230 -16.958 997 HG3 GLU 128 1HG GLU 128 4.738 -6.590 -17.534 998 H ASP 129 HN ASP 129 3.957 -8.917 -13.163 999 HA ASP 129 HA ASP 129 1.185 -9.201 -13.635 1000 HB2 ASP 129 2HB ASP 129 2.713 -10.920 -12.563 1001 HB3 ASP 129 1HB ASP 129 2.626 -9.958 -11.088 1002 H PHE 130 HN PHE 130 3.029 -7.427 -11.190 1003 HA PHE 130 HA PHE 130 0.765 -6.509 -9.745 1004 HB2 PHE 130 2HB PHE 130 2.811 -6.369 -8.613 1005 HB3 PHE 130 1HB PHE 130 3.648 -5.704 -10.014 1006 HD1 PHE 130 1HD PHE 130 1.156 -4.989 -7.389 1007 HD2 PHE 130 2HD PHE 130 3.695 -3.352 -10.430 1008 HE1 PHE 130 1HE PHE 130 0.737 -2.739 -6.527 1009 HE2 PHE 130 2HE PHE 130 3.263 -1.072 -9.559 1010 HZ PHE 130 HZ PHE 130 1.777 -0.762 -7.597 1011 H GLU 131 HN GLU 131 2.820 -5.166 -12.282 1012 HA GLU 131 HA GLU 131 1.510 -2.706 -12.610 1013 HB2 GLU 131 2HB GLU 131 3.751 -3.415 -13.606 1014 HB3 GLU 131 1HB GLU 131 2.822 -4.272 -14.836 1015 HG2 GLU 131 2HG GLU 131 1.690 -2.180 -15.459 1016 HG3 GLU 131 1HG GLU 131 2.588 -1.315 -14.213 1017 H LYS 132 HN LYS 132 0.514 -5.898 -13.242 1018 HA LYS 132 HA LYS 132 -1.366 -5.156 -15.333 1019 HB2 LYS 132 2HB LYS 132 -0.181 -7.541 -14.707 1020 HB3 LYS 132 1HB LYS 132 -1.724 -7.708 -13.872 1021 HG2 LYS 132 2HG LYS 132 -2.247 -8.532 -15.993 1022 HG3 LYS 132 1HG LYS 132 -2.737 -6.845 -16.140 1023 HD2 LYS 132 2HD LYS 132 -0.590 -6.292 -17.200 1024 HD3 LYS 132 1HD LYS 132 -0.048 -7.958 -17.001 1025 HE2 LYS 132 2HE LYS 132 -0.834 -7.807 -19.247 1026 HE3 LYS 132 1HE LYS 132 -2.111 -8.635 -18.354 1027 HZ1 LYS 132 1HZ LYS 132 -2.427 -6.403 -19.868 1028 HZ2 LYS 132 2HZ LYS 132 -2.371 -5.783 -18.287 1029 HZ3 LYS 132 3HZ LYS 132 -3.519 -6.966 -18.699 1030 H ALA 133 HN ALA 133 -1.227 -5.931 -11.909 1031 HA ALA 133 HA ALA 133 -4.004 -5.752 -11.399 1032 HB1 ALA 133 1HB ALA 133 -2.242 -6.673 -9.823 1033 HB2 ALA 133 2HB ALA 133 -3.426 -5.601 -9.076 1034 HB3 ALA 133 3HB ALA 133 -1.810 -5.004 -9.457 1035 H ALA 134 HN ALA 134 -1.417 -3.283 -11.121 1036 HA ALA 134 HA ALA 134 -3.111 -1.204 -10.328 1037 HB1 ALA 134 1HB ALA 134 -1.121 -0.147 -10.269 1038 HB2 ALA 134 2HB ALA 134 -1.104 -0.129 -12.033 1039 HB3 ALA 134 3HB ALA 134 -0.376 -1.476 -11.161 1040 H GLY 135 HN GLY 135 -2.099 -2.385 -13.519 1041 HA2 GLY 135 2HA GLY 135 -3.520 -0.493 -15.030 1042 HA3 GLY 135 1HA GLY 135 -3.116 -2.119 -15.583 1043 H ALA 136 HN ALA 136 -4.422 -3.743 -13.972 1044 HA ALA 136 HA ALA 136 -7.019 -3.830 -14.881 1045 HB1 ALA 136 1HB ALA 136 -5.827 -5.734 -13.804 1046 HB2 ALA 136 2HB ALA 136 -7.446 -5.486 -13.147 1047 HB3 ALA 136 3HB ALA 136 -6.033 -4.937 -12.243 1048 H ARG 137 HN ARG 137 -5.649 -1.817 -12.456 1049 HA ARG 137 HA ARG 137 -8.352 -1.017 -11.578 1050 HB2 ARG 137 2HB ARG 137 -6.298 -1.841 -9.964 1051 HB3 ARG 137 1HB ARG 137 -6.050 -0.098 -9.992 1052 HG2 ARG 137 2HG ARG 137 -7.539 -0.609 -8.148 1053 HG3 ARG 137 1HG ARG 137 -8.470 0.209 -9.401 1054 HD2 ARG 137 2HD ARG 137 -9.751 -1.627 -9.817 1055 HD3 ARG 137 1HD ARG 137 -8.396 -2.737 -9.657 1056 HE ARG 137 HE ARG 137 -8.937 -1.820 -7.096 1057 HH11 ARG 137 1HH1 ARG 137 -10.305 -2.976 -5.702 1058 HH12 ARG 137 2HH1 ARG 137 -11.469 -4.079 -6.356 1059 HH21 ARG 137 1HH2 ARG 137 -10.584 -3.474 -9.652 1060 HH22 ARG 137 2HH2 ARG 137 -11.627 -4.360 -8.591 1061 H GLY 138 HN GLY 138 -5.940 -0.236 -13.621 1062 HA2 GLY 138 2HA GLY 138 -5.583 1.654 -14.907 1063 HA3 GLY 138 1HA GLY 138 -6.913 2.425 -14.051 1064 H LEU 139 HN LEU 139 -3.929 1.061 -12.750 1065 HA LEU 139 HA LEU 139 -3.151 3.757 -11.835 1066 HB2 LEU 139 2HB LEU 139 -3.068 1.134 -10.348 1067 HB3 LEU 139 1HB LEU 139 -2.189 2.560 -9.814 1068 HG LEU 139 HG LEU 139 -5.180 2.484 -10.309 1069 HD11 LEU 139 1HD1 LEU 139 -4.743 1.056 -8.436 1070 HD12 LEU 139 2HD1 LEU 139 -5.263 2.604 -7.771 1071 HD13 LEU 139 3HD1 LEU 139 -3.552 2.178 -7.777 1072 HD21 LEU 139 1HD2 LEU 139 -3.220 4.571 -9.454 1073 HD22 LEU 139 2HD2 LEU 139 -4.784 4.556 -8.642 1074 HD23 LEU 139 3HD2 LEU 139 -4.703 4.739 -10.394 1075 H SER 140 HN SER 140 -2.332 1.740 -14.093 1076 HA SER 140 HA SER 140 0.481 1.327 -13.411 1077 HB2 SER 140 2HB SER 140 0.067 -0.453 -14.726 1078 HB3 SER 140 1HB SER 140 -1.385 0.279 -15.394 1079 HG SER 140 HG SER 140 0.007 1.555 -16.721 1080 H THR 141 HN THR 141 -1.184 3.952 -14.371 1081 HA THR 141 HA THR 141 1.154 5.038 -15.807 1082 HB THR 141 HB THR 141 -0.790 4.416 -17.346 1083 HG1 THR 141 1HG THR 141 -0.027 5.943 -18.564 1084 HG21 THR 141 1HG2 THR 141 -2.373 5.540 -15.510 1085 HG22 THR 141 2HG2 THR 141 -2.794 5.541 -17.223 1086 HG23 THR 141 3HG2 THR 141 -2.065 6.972 -16.493 1087 H GLU 142 HN GLU 142 0.136 5.195 -13.032 1088 HA GLU 142 HA GLU 142 -0.544 8.062 -12.874 1089 HB2 GLU 142 2HB GLU 142 -1.207 7.572 -10.548 1090 HB3 GLU 142 1HB GLU 142 -2.100 6.597 -11.712 1091 HG2 GLU 142 2HG GLU 142 -1.311 4.698 -10.805 1092 HG3 GLU 142 1HG GLU 142 0.350 5.261 -10.937 1093 H SER 143 HN SER 143 0.470 7.244 -9.914 1094 HA SER 143 HA SER 143 2.938 8.711 -10.189 1095 HB2 SER 143 2HB SER 143 1.754 7.383 -7.747 1096 HB3 SER 143 1HB SER 143 3.077 8.542 -7.760 1097 HG SER 143 HG SER 143 0.367 8.925 -8.017 1098 H ILE 144 HN ILE 144 2.066 5.346 -9.329 1099 HA ILE 144 HA ILE 144 3.463 3.609 -8.734 1100 HB ILE 144 HB ILE 144 3.813 4.311 -11.601 1101 HG12 ILE 144 2HG1 ILE 144 1.737 3.263 -10.370 1102 HG13 ILE 144 1HG1 ILE 144 2.227 2.648 -11.947 1103 HG21 ILE 144 1HG2 ILE 144 5.225 2.145 -10.066 1104 HG22 ILE 144 2HG2 ILE 144 5.881 3.237 -11.287 1105 HG23 ILE 144 3HG2 ILE 144 4.815 1.923 -11.766 1106 HD11 ILE 144 1HD1 ILE 144 3.256 0.746 -11.022 1107 HD12 ILE 144 2HD1 ILE 144 1.794 0.924 -10.057 1108 HD13 ILE 144 3HD1 ILE 144 3.346 1.455 -9.411 1109 H LEU 145 HN LEU 145 4.976 3.826 -7.303 1110 HA LEU 145 HA LEU 145 7.626 4.704 -8.205 1111 HB2 LEU 145 2HB LEU 145 6.734 6.518 -6.910 1112 HB3 LEU 145 1HB LEU 145 6.172 5.416 -5.656 1113 HG LEU 145 HG LEU 145 9.063 5.228 -6.242 1114 HD11 LEU 145 1HD1 LEU 145 9.501 7.307 -4.852 1115 HD12 LEU 145 2HD1 LEU 145 7.816 7.749 -5.133 1116 HD13 LEU 145 3HD1 LEU 145 8.930 7.605 -6.493 1117 HD21 LEU 145 1HD2 LEU 145 7.724 5.790 -3.600 1118 HD22 LEU 145 2HD2 LEU 145 9.203 4.883 -3.911 1119 HD23 LEU 145 3HD2 LEU 145 7.639 4.183 -4.320 1120 H ILE 146 HN ILE 146 9.345 3.598 -7.331 1121 HA ILE 146 HA ILE 146 8.675 1.139 -5.858 1122 HB ILE 146 HB ILE 146 11.148 1.746 -7.494 1123 HG12 ILE 146 2HG1 ILE 146 9.849 -0.294 -8.758 1124 HG13 ILE 146 1HG1 ILE 146 8.482 0.647 -8.160 1125 HG21 ILE 146 1HG2 ILE 146 10.395 -0.399 -5.630 1126 HG22 ILE 146 2HG2 ILE 146 11.977 0.007 -6.295 1127 HG23 ILE 146 3HG2 ILE 146 10.864 -1.001 -7.220 1128 HD11 ILE 146 1HD1 ILE 146 9.067 1.492 -10.353 1129 HD12 ILE 146 2HD1 ILE 146 10.760 1.647 -9.888 1130 HD13 ILE 146 3HD1 ILE 146 9.546 2.697 -9.157 1131 HA PRO 147 HA PRO 147 10.817 3.570 -2.687 1132 HB2 PRO 147 2HB PRO 147 10.381 1.942 -0.557 1133 HB3 PRO 147 1HB PRO 147 9.141 3.026 -1.212 1134 HG2 PRO 147 2HG PRO 147 9.490 0.103 -1.593 1135 HG3 PRO 147 1HG PRO 147 8.004 1.047 -1.387 1136 HD2 PRO 147 2HD PRO 147 8.922 0.135 -3.815 1137 HD3 PRO 147 1HD PRO 147 7.874 1.560 -3.630 1138 H ARG 148 HN ARG 148 12.941 3.611 -2.584 1139 HA ARG 148 HA ARG 148 14.678 1.523 -3.210 1140 HB2 ARG 148 2HB ARG 148 15.224 3.991 -3.139 1141 HB3 ARG 148 1HB ARG 148 15.354 3.836 -1.385 1142 HG2 ARG 148 2HG ARG 148 17.522 3.294 -1.783 1143 HG3 ARG 148 1HG ARG 148 16.887 1.722 -2.267 1144 HD2 ARG 148 2HD ARG 148 16.651 2.596 -4.602 1145 HD3 ARG 148 1HD ARG 148 17.437 4.084 -4.082 1146 HE ARG 148 HE ARG 148 19.190 2.127 -3.324 1147 HH11 ARG 148 1HH1 ARG 148 20.845 1.354 -4.673 1148 HH12 ARG 148 2HH1 ARG 148 20.677 1.468 -6.392 1149 HH21 ARG 148 1HH2 ARG 148 17.556 2.972 -6.255 1150 HH22 ARG 148 2HH2 ARG 148 18.815 2.385 -7.289 1151 H GLN 149 HN GLN 149 14.888 -0.340 -2.172 1152 HA GLN 149 HA GLN 149 14.032 -1.001 0.362 1153 HB2 GLN 149 2HB GLN 149 16.186 -2.110 -1.413 1154 HB3 GLN 149 1HB GLN 149 15.942 -2.771 0.204 1155 HG2 GLN 149 2HG GLN 149 14.632 -3.989 -1.534 1156 HG3 GLN 149 1HG GLN 149 13.611 -3.258 -0.298 1157 HE21 GLN 149 1HE2 GLN 149 11.738 -2.849 -1.567 1158 HE22 GLN 149 2HE2 GLN 149 11.736 -1.822 -2.916 1159 H SER 150 HN SER 150 14.496 0.224 2.102 1160 HA SER 150 HA SER 150 17.349 0.574 2.797 1161 HB2 SER 150 2HB SER 150 16.063 2.695 2.024 1162 HB3 SER 150 1HB SER 150 15.253 2.582 3.583 1163 HG SER 150 HG SER 150 17.080 3.049 4.581 1164 H GLU 151 HN GLU 151 17.576 -0.944 4.339 1165 HA GLU 151 HA GLU 151 15.937 -2.180 6.018 1166 HB2 GLU 151 2HB GLU 151 18.714 -1.228 6.299 1167 HB3 GLU 151 1HB GLU 151 17.911 -1.665 7.807 1168 HG2 GLU 151 2HG GLU 151 19.078 -3.599 6.750 1169 HG3 GLU 151 1HG GLU 151 17.344 -3.862 6.919 1170 H THR 152 HN THR 152 16.767 1.221 6.315 1171 HA THR 152 HA THR 152 14.609 1.552 8.241 1172 HB THR 152 HB THR 152 16.061 1.497 9.982 1173 HG1 THR 152 1HG THR 152 16.208 3.526 10.425 1174 HG21 THR 152 1HG2 THR 152 17.876 0.489 8.793 1175 HG22 THR 152 2HG2 THR 152 18.554 1.879 9.639 1176 HG23 THR 152 3HG2 THR 152 18.212 1.981 7.912 1177 H CYS 153 HN CYS 153 13.961 3.781 8.459 1178 HA CYS 153 HA CYS 153 14.632 5.350 6.077 1179 HB2 CYS 153 2HB CYS 153 12.428 5.738 6.068 1180 HB3 CYS 153 1HB CYS 153 12.242 4.905 7.612 1181 H SER 154 HN SER 154 15.748 7.190 6.168 1182 HA SER 154 HA SER 154 15.809 9.062 8.191 1183 HB2 SER 154 2HB SER 154 18.293 8.410 8.928 1184 HB3 SER 154 1HB SER 154 16.881 7.811 9.793 1185 HG SER 154 HG SER 154 17.754 6.388 7.556 1186 HA PRO 155 HA PRO 155 17.674 11.274 4.836 1187 HB2 PRO 155 2HB PRO 155 19.573 12.334 6.893 1188 HB3 PRO 155 1HB PRO 155 18.628 13.210 5.675 1189 HG2 PRO 155 2HG PRO 155 17.936 13.079 8.288 1190 HG3 PRO 155 1HG PRO 155 16.770 13.278 6.973 1191 HD2 PRO 155 2HD PRO 155 17.185 10.960 8.721 1192 HD3 PRO 155 1HD PRO 155 15.837 11.306 7.616 1193 H GLY 156 HN GLY 156 19.395 11.012 3.435 1194 HA2 GLY 156 2HA GLY 156 21.006 8.723 3.649 1195 HA3 GLY 156 1HA GLY 156 21.256 10.033 2.498 1196 H SER 157 HN SER 157 22.858 11.510 2.848 1197 HA SER 157 HA SER 157 24.641 10.963 5.124 1198 HB2 SER 157 2HB SER 157 25.035 11.720 2.338 1199 HB3 SER 157 1HB SER 157 25.928 12.762 3.444 1200 HG SER 157 HG SER 157 26.187 10.318 4.353 1201 H ASP 158 HN ASP 158 24.043 12.177 6.831 1202 HA ASP 158 HA ASP 158 22.786 14.689 6.731 1203 HB2 ASP 158 2HB ASP 158 23.180 12.974 8.709 1204 HB3 ASP 158 1HB ASP 158 24.577 14.003 9.022 Start of MODEL 19 1 H1 HIS 1 1HT HIS 1 -14.580 -19.510 -8.839 2 H2 HIS 1 2HT HIS 1 -13.649 -18.706 -7.667 3 H3 HIS 1 3HT HIS 1 -14.119 -20.320 -7.422 4 HA HIS 1 HA HIS 1 -12.304 -21.055 -8.417 5 HB2 HIS 1 2HB HIS 1 -13.191 -19.241 -10.680 6 HB3 HIS 1 1HB HIS 1 -11.894 -20.428 -10.809 7 HD1 HIS 1 1HD HIS 1 -15.556 -20.398 -9.707 8 HD2 HIS 1 2HD HIS 1 -12.827 -22.881 -11.649 9 HE1 HIS 1 1HE HIS 1 -16.840 -22.467 -10.404 10 H HIS 2 HN HIS 2 -12.742 -17.563 -8.584 11 HA HIS 2 HA HIS 2 -10.132 -16.719 -9.026 12 HB2 HIS 2 2HB HIS 2 -11.074 -14.887 -7.200 13 HB3 HIS 2 1HB HIS 2 -11.380 -14.841 -8.936 14 HD1 HIS 2 1HD HIS 2 -12.913 -16.412 -5.813 15 HD2 HIS 2 2HD HIS 2 -14.066 -15.012 -9.566 16 HE1 HIS 2 1HE HIS 2 -15.440 -16.578 -5.895 17 H LEU 3 HN LEU 3 -8.330 -17.247 -7.980 18 HA LEU 3 HA LEU 3 -8.437 -18.184 -5.225 19 HB2 LEU 3 2HB LEU 3 -6.307 -18.082 -7.346 20 HB3 LEU 3 1HB LEU 3 -5.891 -18.412 -5.664 21 HG LEU 3 HG LEU 3 -8.152 -19.943 -6.888 22 HD11 LEU 3 1HD1 LEU 3 -6.666 -20.407 -8.618 23 HD12 LEU 3 2HD1 LEU 3 -6.219 -21.656 -7.455 24 HD13 LEU 3 3HD1 LEU 3 -5.246 -20.193 -7.593 25 HD21 LEU 3 1HD2 LEU 3 -5.960 -21.053 -5.170 26 HD22 LEU 3 2HD2 LEU 3 -7.674 -21.467 -5.199 27 HD23 LEU 3 3HD2 LEU 3 -7.141 -19.973 -4.430 28 H LEU 4 HN LEU 4 -9.241 -15.689 -5.039 29 HA LEU 4 HA LEU 4 -7.492 -13.565 -4.977 30 HB2 LEU 4 2HB LEU 4 -10.059 -14.177 -3.881 31 HB3 LEU 4 1HB LEU 4 -9.109 -13.408 -2.620 32 HG LEU 4 HG LEU 4 -9.398 -12.306 -5.422 33 HD11 LEU 4 1HD1 LEU 4 -11.470 -11.711 -4.722 34 HD12 LEU 4 2HD1 LEU 4 -10.640 -10.567 -3.668 35 HD13 LEU 4 3HD1 LEU 4 -11.120 -12.147 -3.049 36 HD21 LEU 4 1HD2 LEU 4 -7.530 -11.790 -3.391 37 HD22 LEU 4 2HD2 LEU 4 -8.698 -10.476 -3.268 38 HD23 LEU 4 3HD2 LEU 4 -7.866 -10.775 -4.793 39 H ALA 5 HN ALA 5 -8.372 -14.829 -1.808 40 HA ALA 5 HA ALA 5 -5.620 -15.520 -1.155 41 HB1 ALA 5 1HB ALA 5 -5.118 -13.508 -0.274 42 HB2 ALA 5 2HB ALA 5 -6.330 -13.835 0.964 43 HB3 ALA 5 3HB ALA 5 -6.774 -12.935 -0.486 44 H SER 6 HN SER 6 -5.538 -17.031 0.448 45 HA SER 6 HA SER 6 -7.831 -18.457 1.165 46 HB2 SER 6 2HB SER 6 -5.026 -18.371 2.143 47 HB3 SER 6 1HB SER 6 -6.217 -19.133 3.189 48 HG SER 6 HG SER 6 -6.404 -20.717 1.809 49 H ASP 7 HN ASP 7 -8.768 -18.719 3.326 50 HA ASP 7 HA ASP 7 -9.977 -16.503 4.340 51 HB2 ASP 7 2HB ASP 7 -9.136 -19.043 5.728 52 HB3 ASP 7 1HB ASP 7 -10.065 -17.796 6.557 53 H GLU 8 HN GLU 8 -7.398 -18.027 6.242 54 HA GLU 8 HA GLU 8 -6.138 -15.409 6.680 55 HB2 GLU 8 2HB GLU 8 -7.435 -17.133 8.750 56 HB3 GLU 8 1HB GLU 8 -5.986 -16.223 9.177 57 HG2 GLU 8 2HG GLU 8 -8.292 -14.884 7.777 58 HG3 GLU 8 1HG GLU 8 -8.287 -15.077 9.526 59 H GLU 9 HN GLU 9 -5.609 -18.113 5.380 60 HA GLU 9 HA GLU 9 -3.217 -18.935 6.867 61 HB2 GLU 9 2HB GLU 9 -5.096 -20.485 5.734 62 HB3 GLU 9 1HB GLU 9 -3.964 -20.350 4.386 63 HG2 GLU 9 2HG GLU 9 -2.119 -21.028 5.940 64 HG3 GLU 9 1HG GLU 9 -3.329 -21.298 7.193 65 H ILE 10 HN ILE 10 -4.261 -17.865 3.726 66 HA ILE 10 HA ILE 10 -3.041 -17.207 1.844 67 HB ILE 10 HB ILE 10 -1.487 -15.510 3.757 68 HG12 ILE 10 2HG1 ILE 10 -4.450 -15.190 3.153 69 HG13 ILE 10 1HG1 ILE 10 -3.784 -15.665 4.715 70 HG21 ILE 10 1HG2 ILE 10 -1.788 -13.853 2.046 71 HG22 ILE 10 2HG2 ILE 10 -3.037 -14.813 1.253 72 HG23 ILE 10 3HG2 ILE 10 -1.358 -15.352 1.222 73 HD11 ILE 10 1HD1 ILE 10 -3.198 -13.050 3.300 74 HD12 ILE 10 2HD1 ILE 10 -2.572 -13.537 4.874 75 HD13 ILE 10 3HD1 ILE 10 -4.297 -13.252 4.661 76 H GLN 11 HN GLN 11 -1.860 -19.521 3.299 77 HA GLN 11 HA GLN 11 0.105 -20.717 3.416 78 HB2 GLN 11 2HB GLN 11 -0.294 -20.598 0.964 79 HB3 GLN 11 1HB GLN 11 0.706 -19.151 0.892 80 HG2 GLN 11 2HG GLN 11 2.542 -20.440 0.752 81 HG3 GLN 11 1HG GLN 11 2.172 -21.121 2.335 82 HE21 GLN 11 1HE2 GLN 11 1.604 -21.587 -1.165 83 HE22 GLN 11 2HE2 GLN 11 1.202 -23.231 -1.037 84 H ASP 12 HN ASP 12 1.673 -18.003 1.810 85 HA ASP 12 HA ASP 12 3.350 -17.633 4.210 86 HB2 ASP 12 2HB ASP 12 4.169 -18.161 1.686 87 HB3 ASP 12 1HB ASP 12 4.149 -16.399 1.639 88 H VAL 13 HN VAL 13 3.366 -15.729 5.245 89 HA VAL 13 HA VAL 13 2.842 -13.216 4.121 90 HB VAL 13 HB VAL 13 0.486 -14.304 4.050 91 HG11 VAL 13 1HG1 VAL 13 0.463 -13.506 6.958 92 HG12 VAL 13 2HG1 VAL 13 0.781 -15.165 6.454 93 HG13 VAL 13 3HG1 VAL 13 -0.758 -14.403 6.059 94 HG21 VAL 13 1HG2 VAL 13 -0.559 -12.196 4.436 95 HG22 VAL 13 2HG2 VAL 13 1.067 -11.811 3.881 96 HG23 VAL 13 3HG2 VAL 13 0.676 -11.716 5.598 97 H SER 14 HN SER 14 2.512 -15.198 7.038 98 HA SER 14 HA SER 14 2.988 -13.027 8.845 99 HB2 SER 14 2HB SER 14 2.106 -15.648 9.086 100 HB3 SER 14 1HB SER 14 3.681 -15.662 9.874 101 HG SER 14 HG SER 14 2.001 -13.502 10.393 102 H GLY 15 HN GLY 15 4.876 -11.996 8.985 103 HA2 GLY 15 2HA GLY 15 7.225 -12.815 9.918 104 HA3 GLY 15 1HA GLY 15 7.355 -13.351 8.248 105 H THR 16 HN THR 16 8.627 -12.027 7.190 106 HA THR 16 HA THR 16 8.195 -9.111 7.431 107 HB THR 16 HB THR 16 10.937 -10.229 6.947 108 HG1 THR 16 1HG THR 16 9.884 -11.013 8.958 109 HG21 THR 16 1HG2 THR 16 9.966 -7.715 6.785 110 HG22 THR 16 2HG2 THR 16 11.618 -8.069 7.294 111 HG23 THR 16 3HG2 THR 16 10.369 -7.762 8.502 112 H TRP 17 HN TRP 17 8.460 -7.891 5.579 113 HA TRP 17 HA TRP 17 9.123 -9.284 3.087 114 HB2 TRP 17 2HB TRP 17 6.529 -7.815 3.602 115 HB3 TRP 17 1HB TRP 17 7.098 -8.286 2.002 116 HD1 TRP 17 1HD TRP 17 6.231 -9.927 5.398 117 HE1 TRP 17 1HE TRP 17 5.340 -12.299 4.935 118 HE3 TRP 17 3HE TRP 17 6.844 -10.126 0.334 119 HZ2 TRP 17 2HZ TRP 17 4.932 -14.049 2.709 120 HZ3 TRP 17 3HZ TRP 17 6.188 -12.153 -0.935 121 HH2 TRP 17 2HH TRP 17 5.236 -14.114 0.247 122 H TYR 18 HN TYR 18 8.670 -7.463 1.260 123 HA TYR 18 HA TYR 18 9.703 -4.869 2.169 124 HB2 TYR 18 2HB TYR 18 10.940 -6.398 -0.136 125 HB3 TYR 18 1HB TYR 18 11.463 -4.843 0.510 126 HD1 TYR 18 1HD TYR 18 10.942 -8.416 1.499 127 HD2 TYR 18 2HD TYR 18 13.066 -4.755 2.224 128 HE1 TYR 18 1HE TYR 18 12.393 -9.583 3.136 129 HE2 TYR 18 2HE TYR 18 14.519 -5.924 3.861 130 HH TYR 18 HH TYR 18 14.080 -9.396 4.554 131 H LEU 19 HN LEU 19 9.535 -3.236 0.298 132 HA LEU 19 HA LEU 19 7.169 -3.888 -1.344 133 HB2 LEU 19 2HB LEU 19 7.332 -1.905 0.451 134 HB3 LEU 19 1HB LEU 19 8.068 -1.077 -0.920 135 HG LEU 19 HG LEU 19 5.965 -2.124 -2.193 136 HD11 LEU 19 1HD1 LEU 19 4.768 -1.529 0.506 137 HD12 LEU 19 2HD1 LEU 19 5.325 -3.158 0.122 138 HD13 LEU 19 3HD1 LEU 19 4.057 -2.408 -0.847 139 HD21 LEU 19 1HD2 LEU 19 4.728 0.054 -1.417 140 HD22 LEU 19 2HD2 LEU 19 6.244 0.200 -2.307 141 HD23 LEU 19 3HD2 LEU 19 6.228 0.384 -0.552 142 H LYS 20 HN LYS 20 7.559 -4.104 -3.468 143 HA LYS 20 HA LYS 20 10.127 -3.083 -4.503 144 HB2 LYS 20 2HB LYS 20 8.484 -5.001 -6.069 145 HB3 LYS 20 1HB LYS 20 10.234 -4.897 -5.882 146 HG2 LYS 20 2HG LYS 20 9.622 -5.522 -3.343 147 HG3 LYS 20 1HG LYS 20 8.215 -6.237 -4.127 148 HD2 LYS 20 2HD LYS 20 9.668 -8.021 -4.257 149 HD3 LYS 20 1HD LYS 20 10.095 -7.210 -5.763 150 HE2 LYS 20 2HE LYS 20 12.201 -7.454 -4.821 151 HE3 LYS 20 1HE LYS 20 11.758 -5.878 -4.176 152 HZ1 LYS 20 1HZ LYS 20 12.471 -7.075 -2.332 153 HZ2 LYS 20 2HZ LYS 20 11.691 -8.502 -2.825 154 HZ3 LYS 20 3HZ LYS 20 10.781 -7.190 -2.246 155 H ALA 21 HN ALA 21 6.795 -2.456 -4.664 156 HA ALA 21 HA ALA 21 7.175 -0.346 -6.547 157 HB1 ALA 21 1HB ALA 21 6.534 -1.252 -8.501 158 HB2 ALA 21 2HB ALA 21 5.180 -2.094 -7.749 159 HB3 ALA 21 3HB ALA 21 6.785 -2.823 -7.738 160 H MET 22 HN MET 22 5.347 1.032 -6.680 161 HA MET 22 HA MET 22 2.837 0.277 -5.556 162 HB2 MET 22 2HB MET 22 3.456 0.529 -3.397 163 HB3 MET 22 1HB MET 22 4.920 1.405 -3.824 164 HG2 MET 22 2HG MET 22 3.721 3.473 -4.019 165 HG3 MET 22 1HG MET 22 2.162 2.654 -3.898 166 HE1 MET 22 1HE MET 22 3.957 5.013 -2.263 167 HE2 MET 22 2HE MET 22 3.319 4.882 -0.626 168 HE3 MET 22 3HE MET 22 2.212 4.918 -1.994 169 H THR 23 HN THR 23 1.246 1.966 -5.751 170 HA THR 23 HA THR 23 2.083 4.054 -7.664 171 HB THR 23 HB THR 23 0.398 2.707 -8.650 172 HG1 THR 23 1HG THR 23 -0.122 5.209 -7.859 173 HG21 THR 23 1HG2 THR 23 -1.832 2.860 -6.942 174 HG22 THR 23 2HG2 THR 23 -0.484 2.420 -5.904 175 HG23 THR 23 3HG2 THR 23 -0.876 1.427 -7.308 176 H VAL 24 HN VAL 24 1.778 6.187 -7.226 177 HA VAL 24 HA VAL 24 0.134 6.932 -4.898 178 HB VAL 24 HB VAL 24 2.653 8.431 -5.014 179 HG11 VAL 24 1HG1 VAL 24 0.872 8.568 -3.247 180 HG12 VAL 24 2HG1 VAL 24 2.476 8.209 -2.608 181 HG13 VAL 24 3HG1 VAL 24 1.283 6.920 -2.774 182 HG21 VAL 24 1HG2 VAL 24 3.979 6.644 -3.932 183 HG22 VAL 24 2HG2 VAL 24 3.536 6.198 -5.579 184 HG23 VAL 24 3HG2 VAL 24 2.662 5.510 -4.210 185 H ASP 25 HN ASP 25 -1.321 8.241 -5.829 186 HA ASP 25 HA ASP 25 -1.066 10.822 -6.469 187 HB2 ASP 25 2HB ASP 25 0.008 9.220 -8.740 188 HB3 ASP 25 1HB ASP 25 -1.070 10.535 -9.166 189 H ARG 26 HN ARG 26 -2.987 9.017 -5.567 190 HA ARG 26 HA ARG 26 -5.179 9.518 -7.484 191 HB2 ARG 26 2HB ARG 26 -5.006 7.099 -5.679 192 HB3 ARG 26 1HB ARG 26 -6.195 7.409 -6.942 193 HG2 ARG 26 2HG ARG 26 -3.256 7.250 -7.617 194 HG3 ARG 26 1HG ARG 26 -4.226 5.794 -7.465 195 HD2 ARG 26 2HD ARG 26 -4.962 8.112 -9.267 196 HD3 ARG 26 1HD ARG 26 -4.093 6.687 -9.807 197 HE ARG 26 HE ARG 26 -6.385 5.772 -8.522 198 HH11 ARG 26 1HH1 ARG 26 -8.245 5.250 -9.716 199 HH12 ARG 26 2HH1 ARG 26 -8.484 5.942 -11.284 200 HH21 ARG 26 1HH2 ARG 26 -5.527 7.753 -11.226 201 HH22 ARG 26 2HH2 ARG 26 -6.945 7.359 -12.141 202 H GLU 27 HN GLU 27 -4.162 11.017 -5.150 203 HA GLU 27 HA GLU 27 -6.670 11.628 -3.961 204 HB2 GLU 27 2HB GLU 27 -5.745 11.025 -1.575 205 HB3 GLU 27 1HB GLU 27 -6.551 9.799 -2.547 206 HG2 GLU 27 2HG GLU 27 -4.660 8.571 -2.779 207 HG3 GLU 27 1HG GLU 27 -3.658 9.986 -3.076 208 H PHE 28 HN PHE 28 -3.430 11.592 -2.510 209 HA PHE 28 HA PHE 28 -3.426 14.549 -2.599 210 HB2 PHE 28 2HB PHE 28 -2.631 12.601 -0.476 211 HB3 PHE 28 1HB PHE 28 -1.795 14.151 -0.576 212 HD1 PHE 28 1HD PHE 28 -5.002 12.478 0.092 213 HD2 PHE 28 2HD PHE 28 -2.996 16.263 -0.242 214 HE1 PHE 28 1HE PHE 28 -6.927 13.598 1.181 215 HE2 PHE 28 2HE PHE 28 -4.921 17.379 0.853 216 HZ PHE 28 HZ PHE 28 -6.886 16.046 1.564 217 HA PRO 29 HA PRO 29 0.096 13.106 -5.274 218 HB2 PRO 29 2HB PRO 29 -0.220 15.909 -6.218 219 HB3 PRO 29 1HB PRO 29 -0.078 14.409 -7.156 220 HG2 PRO 29 2HG PRO 29 -2.400 15.707 -6.903 221 HG3 PRO 29 1HG PRO 29 -2.310 13.939 -6.999 222 HD2 PRO 29 2HD PRO 29 -2.828 15.673 -4.619 223 HD3 PRO 29 1HD PRO 29 -3.441 14.046 -4.991 224 H GLU 30 HN GLU 30 -0.246 15.066 -2.667 225 HA GLU 30 HA GLU 30 2.425 16.279 -2.848 226 HB2 GLU 30 2HB GLU 30 0.091 16.723 -0.982 227 HB3 GLU 30 1HB GLU 30 1.687 17.422 -0.701 228 HG2 GLU 30 2HG GLU 30 0.758 17.819 -3.446 229 HG3 GLU 30 1HG GLU 30 -0.319 18.547 -2.255 230 H MET 31 HN MET 31 2.540 13.548 -2.666 231 HA MET 31 HA MET 31 3.826 13.179 -0.092 232 HB2 MET 31 2HB MET 31 1.462 11.546 -1.036 233 HB3 MET 31 1HB MET 31 2.655 10.893 0.084 234 HG2 MET 31 2HG MET 31 2.223 12.767 1.636 235 HG3 MET 31 1HG MET 31 1.013 13.403 0.521 236 HE1 MET 31 1HE MET 31 0.110 11.007 3.961 237 HE2 MET 31 2HE MET 31 0.976 12.499 3.607 238 HE3 MET 31 3HE MET 31 1.781 10.947 3.384 239 H ASN 32 HN ASN 32 5.806 12.849 -1.057 240 HA ASN 32 HA ASN 32 5.924 10.910 -3.285 241 HB2 ASN 32 2HB ASN 32 7.492 13.335 -2.569 242 HB3 ASN 32 1HB ASN 32 8.336 12.022 -3.388 243 HD21 ASN 32 1HD2 ASN 32 6.657 14.824 -4.028 244 HD22 ASN 32 2HD2 ASN 32 6.091 14.455 -5.585 245 H LEU 33 HN LEU 33 6.057 8.959 -2.147 246 HA LEU 33 HA LEU 33 7.587 8.402 0.088 247 HB2 LEU 33 2HB LEU 33 5.954 6.964 -1.503 248 HB3 LEU 33 1HB LEU 33 7.505 6.370 -2.087 249 HG LEU 33 HG LEU 33 6.617 6.398 0.813 250 HD11 LEU 33 1HD1 LEU 33 5.513 4.514 0.225 251 HD12 LEU 33 2HD1 LEU 33 7.097 3.781 -0.026 252 HD13 LEU 33 3HD1 LEU 33 6.237 4.511 -1.383 253 HD21 LEU 33 1HD2 LEU 33 8.915 6.432 1.026 254 HD22 LEU 33 2HD2 LEU 33 9.180 5.764 -0.586 255 HD23 LEU 33 3HD2 LEU 33 8.698 4.706 0.739 256 H GLU 34 HN GLU 34 9.705 8.640 0.401 257 HA GLU 34 HA GLU 34 11.499 8.735 -1.921 258 HB2 GLU 34 2HB GLU 34 11.840 9.554 0.963 259 HB3 GLU 34 1HB GLU 34 13.166 9.551 -0.197 260 HG2 GLU 34 2HG GLU 34 10.774 10.864 -1.245 261 HG3 GLU 34 1HG GLU 34 11.381 11.640 0.217 262 H SER 35 HN SER 35 10.857 6.866 0.984 263 HA SER 35 HA SER 35 12.360 4.638 -0.057 264 HB2 SER 35 2HB SER 35 13.968 4.468 1.770 265 HB3 SER 35 1HB SER 35 14.182 6.002 0.930 266 HG SER 35 HG SER 35 13.764 5.651 3.477 267 H VAL 36 HN VAL 36 12.090 2.713 1.269 268 HA VAL 36 HA VAL 36 9.927 2.943 3.247 269 HB VAL 36 HB VAL 36 9.244 2.157 0.886 270 HG11 VAL 36 1HG1 VAL 36 11.322 0.592 0.879 271 HG12 VAL 36 2HG1 VAL 36 9.803 -0.050 0.258 272 HG13 VAL 36 3HG1 VAL 36 10.338 -0.474 1.882 273 HG21 VAL 36 1HG2 VAL 36 7.776 1.908 2.815 274 HG22 VAL 36 2HG2 VAL 36 8.694 0.511 3.379 275 HG23 VAL 36 3HG2 VAL 36 7.748 0.405 1.894 276 H THR 37 HN THR 37 9.899 1.361 4.860 277 HA THR 37 HA THR 37 12.499 0.034 5.229 278 HB THR 37 HB THR 37 11.927 -0.031 7.604 279 HG1 THR 37 1HG THR 37 9.972 0.460 8.294 280 HG21 THR 37 1HG2 THR 37 12.084 2.301 8.047 281 HG22 THR 37 2HG2 THR 37 11.235 2.711 6.555 282 HG23 THR 37 3HG2 THR 37 12.872 2.060 6.489 283 HA PRO 38 HA PRO 38 11.000 -4.109 4.607 284 HB2 PRO 38 2HB PRO 38 11.811 -4.539 7.463 285 HB3 PRO 38 1HB PRO 38 12.148 -5.542 6.040 286 HG2 PRO 38 2HG PRO 38 13.975 -3.893 7.110 287 HG3 PRO 38 1HG PRO 38 13.904 -4.247 5.377 288 HD2 PRO 38 2HD PRO 38 13.271 -1.736 6.773 289 HD3 PRO 38 1HD PRO 38 13.582 -2.015 5.048 290 H MET 39 HN MET 39 8.892 -4.779 4.712 291 HA MET 39 HA MET 39 7.184 -3.643 6.765 292 HB2 MET 39 2HB MET 39 6.375 -3.569 4.482 293 HB3 MET 39 1HB MET 39 6.575 -5.315 4.322 294 HG2 MET 39 2HG MET 39 4.718 -5.784 5.585 295 HG3 MET 39 1HG MET 39 4.922 -4.362 6.604 296 HE1 MET 39 1HE MET 39 4.490 -4.141 2.341 297 HE2 MET 39 2HE MET 39 2.997 -5.025 2.645 298 HE3 MET 39 3HE MET 39 4.525 -5.657 3.251 299 H THR 40 HN THR 40 6.159 -4.752 8.341 300 HA THR 40 HA THR 40 6.928 -7.583 8.634 301 HB THR 40 HB THR 40 6.235 -5.552 10.766 302 HG1 THR 40 1HG THR 40 8.258 -5.125 10.228 303 HG21 THR 40 1HG2 THR 40 5.513 -7.737 11.482 304 HG22 THR 40 2HG2 THR 40 7.041 -7.393 12.292 305 HG23 THR 40 3HG2 THR 40 7.004 -8.476 10.901 306 H LEU 41 HN LEU 41 5.313 -8.958 8.240 307 HA LEU 41 HA LEU 41 2.538 -8.076 8.756 308 HB2 LEU 41 2HB LEU 41 3.760 -10.033 6.818 309 HB3 LEU 41 1HB LEU 41 2.041 -10.066 7.203 310 HG LEU 41 HG LEU 41 2.639 -7.355 6.652 311 HD11 LEU 41 1HD1 LEU 41 3.643 -7.494 4.412 312 HD12 LEU 41 2HD1 LEU 41 3.849 -9.235 4.607 313 HD13 LEU 41 3HD1 LEU 41 4.754 -8.119 5.631 314 HD21 LEU 41 1HD2 LEU 41 0.546 -8.489 6.132 315 HD22 LEU 41 2HD2 LEU 41 1.389 -9.564 5.017 316 HD23 LEU 41 3HD2 LEU 41 1.234 -7.850 4.635 317 H THR 42 HN THR 42 1.510 -8.990 10.344 318 HA THR 42 HA THR 42 2.431 -11.607 11.371 319 HB THR 42 HB THR 42 2.645 -10.752 13.428 320 HG1 THR 42 1HG THR 42 0.583 -9.097 13.723 321 HG21 THR 42 1HG2 THR 42 1.887 -8.096 12.194 322 HG22 THR 42 2HG2 THR 42 3.491 -8.819 12.088 323 HG23 THR 42 3HG2 THR 42 2.840 -8.343 13.656 324 H THR 43 HN THR 43 0.910 -13.146 11.710 325 HA THR 43 HA THR 43 -1.839 -12.473 10.910 326 HB THR 43 HB THR 43 -0.740 -15.245 11.378 327 HG1 THR 43 1HG THR 43 0.513 -14.580 9.769 328 HG21 THR 43 1HG2 THR 43 -2.632 -15.947 10.115 329 HG22 THR 43 2HG2 THR 43 -2.951 -14.306 9.543 330 HG23 THR 43 3HG2 THR 43 -3.247 -14.725 11.235 331 H LEU 44 HN LEU 44 -3.236 -12.033 12.489 332 HA LEU 44 HA LEU 44 -2.615 -12.831 15.207 333 HB2 LEU 44 2HB LEU 44 -5.096 -11.333 14.495 334 HB3 LEU 44 1HB LEU 44 -4.068 -11.181 15.915 335 HG LEU 44 HG LEU 44 -3.369 -10.282 13.103 336 HD11 LEU 44 1HD1 LEU 44 -4.156 -8.257 13.702 337 HD12 LEU 44 2HD1 LEU 44 -3.267 -8.301 15.223 338 HD13 LEU 44 3HD1 LEU 44 -4.870 -9.030 15.117 339 HD21 LEU 44 1HD2 LEU 44 -1.807 -10.374 15.693 340 HD22 LEU 44 2HD2 LEU 44 -1.390 -9.252 14.397 341 HD23 LEU 44 3HD2 LEU 44 -1.331 -10.991 14.110 342 H GLU 45 HN GLU 45 -3.527 -14.310 16.350 343 HA GLU 45 HA GLU 45 -4.600 -16.384 16.637 344 HB2 GLU 45 2HB GLU 45 -6.673 -14.202 16.597 345 HB3 GLU 45 1HB GLU 45 -7.088 -15.864 17.015 346 HG2 GLU 45 2HG GLU 45 -6.523 -14.435 19.005 347 HG3 GLU 45 1HG GLU 45 -5.510 -15.868 18.847 348 H GLY 46 HN GLY 46 -4.127 -15.834 13.781 349 HA2 GLY 46 2HA GLY 46 -4.709 -16.738 11.751 350 HA3 GLY 46 1HA GLY 46 -5.656 -17.909 12.661 351 H GLY 47 HN GLY 47 -6.698 -14.875 13.534 352 HA2 GLY 47 2HA GLY 47 -9.020 -15.098 11.740 353 HA3 GLY 47 1HA GLY 47 -8.974 -14.218 13.264 354 H ASN 48 HN ASN 48 -7.026 -12.533 13.171 355 HA ASN 48 HA ASN 48 -7.540 -10.875 10.766 356 HB2 ASN 48 2HB ASN 48 -6.664 -9.935 13.501 357 HB3 ASN 48 1HB ASN 48 -7.116 -8.922 12.132 358 HD21 ASN 48 1HD2 ASN 48 -8.686 -11.878 13.493 359 HD22 ASN 48 2HD2 ASN 48 -10.192 -11.135 13.735 360 H LEU 49 HN LEU 49 -5.800 -9.390 10.127 361 HA LEU 49 HA LEU 49 -3.116 -10.559 10.547 362 HB2 LEU 49 2HB LEU 49 -4.601 -10.350 8.149 363 HB3 LEU 49 1HB LEU 49 -3.332 -9.131 8.056 364 HG LEU 49 HG LEU 49 -2.786 -12.011 8.826 365 HD11 LEU 49 1HD1 LEU 49 -1.817 -11.911 6.369 366 HD12 LEU 49 2HD1 LEU 49 -3.081 -10.700 6.157 367 HD13 LEU 49 3HD1 LEU 49 -3.503 -12.337 6.658 368 HD21 LEU 49 1HD2 LEU 49 -0.609 -11.365 8.939 369 HD22 LEU 49 2HD2 LEU 49 -1.238 -9.721 9.033 370 HD23 LEU 49 3HD2 LEU 49 -0.739 -10.387 7.479 371 H GLU 50 HN GLU 50 -1.442 -9.117 10.888 372 HA GLU 50 HA GLU 50 -2.170 -6.264 11.008 373 HB2 GLU 50 2HB GLU 50 -1.941 -7.140 13.270 374 HB3 GLU 50 1HB GLU 50 -0.352 -7.794 12.870 375 HG2 GLU 50 2HG GLU 50 0.661 -5.735 12.902 376 HG3 GLU 50 1HG GLU 50 -0.776 -4.900 12.305 377 H ALA 51 HN ALA 51 -0.987 -4.958 9.819 378 HA ALA 51 HA ALA 51 1.653 -5.922 8.923 379 HB1 ALA 51 1HB ALA 51 0.785 -5.870 6.863 380 HB2 ALA 51 2HB ALA 51 0.807 -4.109 7.013 381 HB3 ALA 51 3HB ALA 51 -0.659 -5.013 7.412 382 H LYS 52 HN LYS 52 3.325 -4.679 9.427 383 HA LYS 52 HA LYS 52 2.818 -1.844 10.044 384 HB2 LYS 52 2HB LYS 52 4.978 -2.694 11.650 385 HB3 LYS 52 1HB LYS 52 3.379 -2.176 12.183 386 HG2 LYS 52 2HG LYS 52 2.531 -4.442 12.046 387 HG3 LYS 52 1HG LYS 52 4.027 -5.001 11.303 388 HD2 LYS 52 2HD LYS 52 4.059 -5.591 13.664 389 HD3 LYS 52 1HD LYS 52 5.266 -4.341 13.365 390 HE2 LYS 52 2HE LYS 52 2.492 -3.536 14.188 391 HE3 LYS 52 1HE LYS 52 3.626 -4.108 15.409 392 HZ1 LYS 52 1HZ LYS 52 4.676 -2.165 13.527 393 HZ2 LYS 52 2HZ LYS 52 4.907 -2.292 15.205 394 HZ3 LYS 52 3HZ LYS 52 3.492 -1.579 14.593 395 H VAL 53 HN VAL 53 4.090 -0.467 8.969 396 HA VAL 53 HA VAL 53 6.806 -1.227 8.272 397 HB VAL 53 HB VAL 53 5.498 -2.089 6.370 398 HG11 VAL 53 1HG1 VAL 53 4.566 0.773 6.017 399 HG12 VAL 53 2HG1 VAL 53 3.573 -0.508 6.713 400 HG13 VAL 53 3HG1 VAL 53 4.110 -0.621 5.037 401 HG21 VAL 53 1HG2 VAL 53 7.715 -0.503 6.243 402 HG22 VAL 53 2HG2 VAL 53 6.616 0.398 5.201 403 HG23 VAL 53 3HG2 VAL 53 6.996 -1.285 4.835 404 H THR 54 HN THR 54 8.060 0.581 7.637 405 HA THR 54 HA THR 54 6.857 3.176 8.360 406 HB THR 54 HB THR 54 9.808 2.693 8.411 407 HG1 THR 54 1HG THR 54 8.033 1.316 9.833 408 HG21 THR 54 1HG2 THR 54 9.858 4.570 9.735 409 HG22 THR 54 2HG2 THR 54 8.286 4.226 10.462 410 HG23 THR 54 3HG2 THR 54 8.377 4.909 8.838 411 H MET 55 HN MET 55 6.725 4.646 6.776 412 HA MET 55 HA MET 55 8.380 4.192 4.369 413 HB2 MET 55 2HB MET 55 6.281 6.024 3.827 414 HB3 MET 55 1HB MET 55 6.530 4.423 3.143 415 HG2 MET 55 2HG MET 55 5.426 3.544 5.327 416 HG3 MET 55 1HG MET 55 4.873 5.210 5.537 417 HE1 MET 55 1HE MET 55 3.017 5.860 2.180 418 HE2 MET 55 2HE MET 55 4.769 5.714 2.085 419 HE3 MET 55 3HE MET 55 4.034 6.537 3.459 420 H LEU 56 HN LEU 56 9.240 5.965 3.310 421 HA LEU 56 HA LEU 56 9.736 8.260 5.099 422 HB2 LEU 56 2HB LEU 56 11.758 7.010 4.335 423 HB3 LEU 56 1HB LEU 56 11.322 7.391 2.672 424 HG LEU 56 HG LEU 56 11.422 9.827 3.227 425 HD11 LEU 56 1HD1 LEU 56 12.027 8.678 5.926 426 HD12 LEU 56 2HD1 LEU 56 11.097 10.114 5.499 427 HD13 LEU 56 3HD1 LEU 56 12.857 10.157 5.449 428 HD21 LEU 56 1HD2 LEU 56 13.810 9.963 3.164 429 HD22 LEU 56 2HD2 LEU 56 13.393 8.456 2.351 430 HD23 LEU 56 3HD2 LEU 56 13.991 8.426 4.010 431 H ILE 57 HN ILE 57 7.805 9.299 4.571 432 HA ILE 57 HA ILE 57 7.283 9.981 1.803 433 HB ILE 57 HB ILE 57 5.814 10.596 4.375 434 HG12 ILE 57 2HG1 ILE 57 5.936 8.225 3.162 435 HG13 ILE 57 1HG1 ILE 57 4.420 8.820 3.832 436 HG21 ILE 57 1HG2 ILE 57 5.305 12.413 2.960 437 HG22 ILE 57 2HG2 ILE 57 3.992 11.272 2.675 438 HG23 ILE 57 3HG2 ILE 57 5.317 11.405 1.514 439 HD11 ILE 57 1HD1 ILE 57 3.596 9.462 1.705 440 HD12 ILE 57 2HD1 ILE 57 4.371 7.909 1.411 441 HD13 ILE 57 3HD1 ILE 57 5.195 9.398 0.968 442 H SER 58 HN SER 58 8.063 11.672 0.889 443 HA SER 58 HA SER 58 9.332 13.601 0.613 444 HB2 SER 58 2HB SER 58 6.833 14.215 0.985 445 HB3 SER 58 1HB SER 58 7.382 14.822 2.545 446 HG SER 58 HG SER 58 8.207 15.599 -0.053 447 H GLY 59 HN GLY 59 10.733 12.119 2.398 448 HA2 GLY 59 2HA GLY 59 12.471 12.417 3.875 449 HA3 GLY 59 1HA GLY 59 12.081 14.130 3.914 450 H ARG 60 HN ARG 60 9.458 12.043 4.649 451 HA ARG 60 HA ARG 60 9.868 12.513 7.543 452 HB2 ARG 60 2HB ARG 60 7.206 12.426 6.102 453 HB3 ARG 60 1HB ARG 60 7.485 12.810 7.799 454 HG2 ARG 60 2HG ARG 60 8.544 14.871 7.279 455 HG3 ARG 60 1HG ARG 60 8.747 14.434 5.584 456 HD2 ARG 60 2HD ARG 60 6.904 16.007 5.779 457 HD3 ARG 60 1HD ARG 60 6.269 14.428 5.322 458 HE ARG 60 HE ARG 60 6.071 14.374 8.022 459 HH11 ARG 60 1HH1 ARG 60 4.307 15.192 9.197 460 HH12 ARG 60 2HH1 ARG 60 3.346 16.469 8.530 461 HH21 ARG 60 1HH2 ARG 60 5.195 16.690 5.605 462 HH22 ARG 60 2HH2 ARG 60 3.849 17.317 6.496 463 H CYS 61 HN CYS 61 9.911 10.735 8.758 464 HA CYS 61 HA CYS 61 9.423 8.157 7.530 465 HB2 CYS 61 2HB CYS 61 10.455 9.067 10.209 466 HB3 CYS 61 1HB CYS 61 10.039 7.377 9.918 467 H GLN 62 HN GLN 62 7.298 7.718 7.244 468 HA GLN 62 HA GLN 62 5.435 8.271 9.447 469 HB2 GLN 62 2HB GLN 62 5.184 7.927 6.510 470 HB3 GLN 62 1HB GLN 62 3.841 7.342 7.493 471 HG2 GLN 62 2HG GLN 62 5.012 10.071 7.983 472 HG3 GLN 62 1HG GLN 62 3.819 9.827 6.709 473 HE21 GLN 62 1HE2 GLN 62 1.853 8.336 7.628 474 HE22 GLN 62 2HE2 GLN 62 1.240 8.863 9.121 475 H GLU 63 HN GLU 63 5.220 6.687 10.883 476 HA GLU 63 HA GLU 63 5.750 3.925 10.218 477 HB2 GLU 63 2HB GLU 63 6.390 4.391 12.407 478 HB3 GLU 63 1HB GLU 63 4.999 5.436 12.696 479 HG2 GLU 63 2HG GLU 63 3.533 3.619 12.971 480 HG3 GLU 63 1HG GLU 63 4.627 2.495 12.164 481 H VAL 64 HN VAL 64 4.291 2.671 9.233 482 HA VAL 64 HA VAL 64 1.432 3.360 9.525 483 HB VAL 64 HB VAL 64 2.557 1.462 7.488 484 HG11 VAL 64 1HG1 VAL 64 0.059 1.832 7.962 485 HG12 VAL 64 2HG1 VAL 64 0.583 2.003 6.286 486 HG13 VAL 64 3HG1 VAL 64 0.283 3.439 7.267 487 HG21 VAL 64 1HG2 VAL 64 3.938 3.389 7.163 488 HG22 VAL 64 2HG2 VAL 64 2.589 4.489 7.447 489 HG23 VAL 64 3HG2 VAL 64 2.644 3.523 5.973 490 H LYS 65 HN LYS 65 0.007 1.899 10.372 491 HA LYS 65 HA LYS 65 0.853 -0.876 10.819 492 HB2 LYS 65 2HB LYS 65 1.392 0.616 12.854 493 HB3 LYS 65 1HB LYS 65 -0.354 0.728 13.070 494 HG2 LYS 65 2HG LYS 65 -0.017 -1.976 12.698 495 HG3 LYS 65 1HG LYS 65 1.461 -1.544 13.550 496 HD2 LYS 65 2HD LYS 65 -0.205 -2.103 15.212 497 HD3 LYS 65 1HD LYS 65 0.063 -0.362 15.270 498 HE2 LYS 65 2HE LYS 65 -2.054 -1.161 13.383 499 HE3 LYS 65 1HE LYS 65 -2.406 -1.564 15.062 500 HZ1 LYS 65 1HZ LYS 65 -1.290 0.994 15.000 501 HZ2 LYS 65 2HZ LYS 65 -2.871 0.549 15.432 502 HZ3 LYS 65 3HZ LYS 65 -2.507 0.944 13.821 503 H ALA 66 HN ALA 66 -0.695 -1.626 9.413 504 HA ALA 66 HA ALA 66 -3.491 -0.880 9.964 505 HB1 ALA 66 1HB ALA 66 -2.929 -2.382 7.506 506 HB2 ALA 66 2HB ALA 66 -2.132 -0.811 7.588 507 HB3 ALA 66 3HB ALA 66 -3.885 -0.920 7.743 508 H VAL 67 HN VAL 67 -5.044 -2.421 10.169 509 HA VAL 67 HA VAL 67 -4.083 -5.153 10.610 510 HB VAL 67 HB VAL 67 -6.178 -3.561 12.065 511 HG11 VAL 67 1HG1 VAL 67 -7.329 -5.575 11.727 512 HG12 VAL 67 2HG1 VAL 67 -6.475 -5.889 13.241 513 HG13 VAL 67 3HG1 VAL 67 -5.844 -6.530 11.721 514 HG21 VAL 67 1HG2 VAL 67 -4.122 -5.355 13.308 515 HG22 VAL 67 2HG2 VAL 67 -4.810 -3.853 13.922 516 HG23 VAL 67 3HG2 VAL 67 -3.590 -3.808 12.650 517 H LEU 68 HN LEU 68 -4.818 -6.560 9.189 518 HA LEU 68 HA LEU 68 -7.108 -5.864 7.530 519 HB2 LEU 68 2HB LEU 68 -5.408 -8.342 7.330 520 HB3 LEU 68 1HB LEU 68 -6.336 -7.560 6.064 521 HG LEU 68 HG LEU 68 -3.887 -6.395 7.420 522 HD11 LEU 68 1HD1 LEU 68 -4.199 -7.190 4.523 523 HD12 LEU 68 2HD1 LEU 68 -3.689 -8.366 5.735 524 HD13 LEU 68 3HD1 LEU 68 -2.713 -6.927 5.439 525 HD21 LEU 68 1HD2 LEU 68 -4.161 -4.753 5.451 526 HD22 LEU 68 2HD2 LEU 68 -5.290 -4.574 6.794 527 HD23 LEU 68 3HD2 LEU 68 -5.805 -5.378 5.311 528 H GLU 69 HN GLU 69 -8.756 -6.151 9.190 529 HA GLU 69 HA GLU 69 -9.080 -8.741 10.415 530 HB2 GLU 69 2HB GLU 69 -10.926 -7.850 11.522 531 HB3 GLU 69 1HB GLU 69 -9.940 -6.414 11.258 532 HG2 GLU 69 2HG GLU 69 -11.259 -6.120 9.079 533 HG3 GLU 69 1HG GLU 69 -12.383 -7.308 9.730 534 H LYS 70 HN LYS 70 -10.236 -10.437 9.701 535 HA LYS 70 HA LYS 70 -10.888 -10.628 6.957 536 HB2 LYS 70 2HB LYS 70 -10.264 -12.480 8.668 537 HB3 LYS 70 1HB LYS 70 -11.991 -12.502 9.025 538 HG2 LYS 70 2HG LYS 70 -12.453 -12.828 6.595 539 HG3 LYS 70 1HG LYS 70 -10.715 -12.922 6.307 540 HD2 LYS 70 2HD LYS 70 -11.028 -15.157 6.621 541 HD3 LYS 70 1HD LYS 70 -10.995 -14.727 8.333 542 HE2 LYS 70 2HE LYS 70 -13.535 -14.308 8.074 543 HE3 LYS 70 1HE LYS 70 -13.392 -15.222 6.573 544 HZ1 LYS 70 1HZ LYS 70 -12.618 -16.167 9.280 545 HZ2 LYS 70 2HZ LYS 70 -12.402 -17.043 7.840 546 HZ3 LYS 70 3HZ LYS 70 -13.968 -16.678 8.389 547 H THR 71 HN THR 71 -12.769 -10.520 5.860 548 HA THR 71 HA THR 71 -15.153 -9.604 7.349 549 HB THR 71 HB THR 71 -15.850 -8.479 5.314 550 HG1 THR 71 1HG THR 71 -14.793 -10.121 3.965 551 HG21 THR 71 1HG2 THR 71 -13.821 -6.948 4.999 552 HG22 THR 71 2HG2 THR 71 -12.996 -7.979 6.168 553 HG23 THR 71 3HG2 THR 71 -14.448 -7.096 6.640 554 H ASP 72 HN ASP 72 -17.194 -10.076 5.860 555 HA ASP 72 HA ASP 72 -17.446 -12.918 5.795 556 HB2 ASP 72 2HB ASP 72 -19.730 -12.468 5.001 557 HB3 ASP 72 1HB ASP 72 -19.328 -11.477 6.402 558 H GLU 73 HN GLU 73 -15.770 -11.101 3.701 559 HA GLU 73 HA GLU 73 -16.515 -12.805 1.408 560 HB2 GLU 73 2HB GLU 73 -17.179 -10.261 1.358 561 HB3 GLU 73 1HB GLU 73 -15.476 -10.043 0.960 562 HG2 GLU 73 2HG GLU 73 -15.714 -11.668 -0.898 563 HG3 GLU 73 1HG GLU 73 -17.430 -11.827 -0.518 564 HA PRO 74 HA PRO 74 -12.129 -13.851 2.303 565 HB2 PRO 74 2HB PRO 74 -12.549 -15.225 -0.321 566 HB3 PRO 74 1HB PRO 74 -11.776 -15.827 1.158 567 HG2 PRO 74 2HG PRO 74 -14.235 -16.572 0.486 568 HG3 PRO 74 1HG PRO 74 -13.779 -16.297 2.177 569 HD2 PRO 74 2HD PRO 74 -15.475 -14.622 0.391 570 HD3 PRO 74 1HD PRO 74 -15.523 -14.796 2.161 571 H GLY 75 HN GLY 75 -10.276 -12.902 1.687 572 HA2 GLY 75 2HA GLY 75 -8.707 -11.785 0.372 573 HA3 GLY 75 1HA GLY 75 -9.812 -11.908 -0.991 574 H LYS 76 HN LYS 76 -11.324 -10.684 1.742 575 HA LYS 76 HA LYS 76 -10.848 -7.881 0.955 576 HB2 LYS 76 2HB LYS 76 -13.032 -8.806 0.058 577 HB3 LYS 76 1HB LYS 76 -13.540 -9.005 1.736 578 HG2 LYS 76 2HG LYS 76 -12.605 -6.422 1.728 579 HG3 LYS 76 1HG LYS 76 -13.335 -6.562 0.131 580 HD2 LYS 76 2HD LYS 76 -15.368 -7.576 1.288 581 HD3 LYS 76 1HD LYS 76 -14.649 -7.038 2.808 582 HE2 LYS 76 2HE LYS 76 -14.569 -4.727 1.934 583 HE3 LYS 76 1HE LYS 76 -15.337 -5.270 0.446 584 HZ1 LYS 76 1HZ LYS 76 -17.289 -5.849 1.608 585 HZ2 LYS 76 2HZ LYS 76 -16.860 -4.304 2.169 586 HZ3 LYS 76 3HZ LYS 76 -16.544 -5.676 3.121 587 H TYR 77 HN TYR 77 -9.826 -7.041 2.685 588 HA TYR 77 HA TYR 77 -10.805 -7.796 5.361 589 HB2 TYR 77 2HB TYR 77 -8.111 -6.641 4.691 590 HB3 TYR 77 1HB TYR 77 -8.637 -7.326 6.229 591 HD1 TYR 77 1HD TYR 77 -8.160 -8.198 2.622 592 HD2 TYR 77 2HD TYR 77 -8.347 -9.612 6.671 593 HE1 TYR 77 1HE TYR 77 -7.429 -10.444 1.871 594 HE2 TYR 77 2HE TYR 77 -7.617 -11.858 5.921 595 HH TYR 77 HH TYR 77 -6.543 -12.439 2.635 596 H THR 78 HN THR 78 -10.573 -6.153 7.043 597 HA THR 78 HA THR 78 -10.840 -3.434 6.016 598 HB THR 78 HB THR 78 -12.713 -3.209 7.834 599 HG1 THR 78 1HG THR 78 -13.534 -5.032 8.477 600 HG21 THR 78 1HG2 THR 78 -12.851 -4.269 5.036 601 HG22 THR 78 2HG2 THR 78 -13.369 -2.704 5.666 602 HG23 THR 78 3HG2 THR 78 -14.337 -4.147 5.978 603 H ALA 79 HN ALA 79 -10.583 -1.754 7.590 604 HA ALA 79 HA ALA 79 -9.056 -2.614 9.970 605 HB1 ALA 79 1HB ALA 79 -7.265 -1.508 9.212 606 HB2 ALA 79 2HB ALA 79 -8.211 -0.020 9.154 607 HB3 ALA 79 3HB ALA 79 -8.141 -1.079 7.743 608 H ASP 80 HN ASP 80 -10.006 -2.015 11.753 609 HA ASP 80 HA ASP 80 -10.987 -0.610 13.326 610 HB2 ASP 80 2HB ASP 80 -10.068 1.244 11.648 611 HB3 ASP 80 1HB ASP 80 -11.789 1.423 11.302 612 H GLY 81 HN GLY 81 -12.423 -1.467 10.292 613 HA2 GLY 81 2HA GLY 81 -14.523 -2.765 10.553 614 HA3 GLY 81 1HA GLY 81 -15.094 -1.458 11.576 615 H GLY 82 HN GLY 82 -13.270 -0.834 8.623 616 HA2 GLY 82 2HA GLY 82 -14.743 -0.700 6.512 617 HA3 GLY 82 1HA GLY 82 -15.706 0.397 7.491 618 H LYS 83 HN LYS 83 -13.401 1.619 8.809 619 HA LYS 83 HA LYS 83 -12.856 3.647 6.864 620 HB2 LYS 83 2HB LYS 83 -11.426 3.287 9.496 621 HB3 LYS 83 1HB LYS 83 -11.713 4.782 8.607 622 HG2 LYS 83 2HG LYS 83 -14.267 3.760 8.952 623 HG3 LYS 83 1HG LYS 83 -13.467 3.366 10.474 624 HD2 LYS 83 2HD LYS 83 -12.737 5.725 10.689 625 HD3 LYS 83 1HD LYS 83 -13.582 6.111 9.187 626 HE2 LYS 83 2HE LYS 83 -15.605 4.926 10.490 627 HE3 LYS 83 1HE LYS 83 -14.694 5.502 11.886 628 HZ1 LYS 83 1HZ LYS 83 -16.370 7.093 10.991 629 HZ2 LYS 83 2HZ LYS 83 -15.422 7.227 9.586 630 HZ3 LYS 83 3HZ LYS 83 -14.794 7.713 11.088 631 H HIS 84 HN HIS 84 -12.010 1.377 5.725 632 HA HIS 84 HA HIS 84 -9.800 1.648 4.406 633 HB2 HIS 84 2HB HIS 84 -8.912 1.064 7.209 634 HB3 HIS 84 1HB HIS 84 -8.027 0.337 5.881 635 HD1 HIS 84 1HD HIS 84 -8.250 2.613 3.816 636 HD2 HIS 84 2HD HIS 84 -7.170 3.186 7.805 637 HE1 HIS 84 1HE HIS 84 -6.906 4.769 3.900 638 H VAL 85 HN VAL 85 -10.321 0.047 2.998 639 HA VAL 85 HA VAL 85 -11.064 -2.568 4.035 640 HB VAL 85 HB VAL 85 -10.714 -2.003 1.119 641 HG11 VAL 85 1HG1 VAL 85 -12.752 -3.555 2.746 642 HG12 VAL 85 2HG1 VAL 85 -11.356 -4.268 1.942 643 HG13 VAL 85 3HG1 VAL 85 -12.643 -3.534 0.987 644 HG21 VAL 85 1HG2 VAL 85 -13.060 -1.114 2.832 645 HG22 VAL 85 2HG2 VAL 85 -13.013 -1.076 1.070 646 HG23 VAL 85 3HG2 VAL 85 -11.933 -0.046 2.002 647 H ALA 86 HN ALA 86 -9.848 -3.665 1.470 648 HA ALA 86 HA ALA 86 -7.285 -3.476 1.032 649 HB1 ALA 86 1HB ALA 86 -6.319 -3.481 3.106 650 HB2 ALA 86 2HB ALA 86 -6.258 -5.201 2.733 651 HB3 ALA 86 3HB ALA 86 -7.529 -4.573 3.785 652 H TYR 87 HN TYR 87 -6.477 -5.060 -0.204 653 HA TYR 87 HA TYR 87 -7.795 -7.690 -0.144 654 HB2 TYR 87 2HB TYR 87 -7.250 -6.046 -2.625 655 HB3 TYR 87 1HB TYR 87 -7.806 -7.715 -2.616 656 HD1 TYR 87 1HD TYR 87 -8.687 -4.304 -1.368 657 HD2 TYR 87 2HD TYR 87 -10.091 -8.213 -2.454 658 HE1 TYR 87 1HE TYR 87 -11.027 -3.512 -1.165 659 HE2 TYR 87 2HE TYR 87 -12.438 -7.422 -2.251 660 HH TYR 87 HH TYR 87 -13.763 -5.739 -1.623 661 H ILE 88 HN ILE 88 -6.354 -9.245 -0.041 662 HA ILE 88 HA ILE 88 -3.542 -8.637 -0.722 663 HB ILE 88 HB ILE 88 -4.365 -11.006 0.931 664 HG12 ILE 88 2HG1 ILE 88 -4.010 -8.174 1.974 665 HG13 ILE 88 1HG1 ILE 88 -5.529 -9.070 1.952 666 HG21 ILE 88 1HG2 ILE 88 -1.968 -10.210 0.012 667 HG22 ILE 88 2HG2 ILE 88 -2.155 -11.018 1.568 668 HG23 ILE 88 3HG2 ILE 88 -2.015 -9.261 1.499 669 HD11 ILE 88 1HD1 ILE 88 -4.861 -9.591 4.093 670 HD12 ILE 88 2HD1 ILE 88 -3.147 -9.423 3.712 671 HD13 ILE 88 3HD1 ILE 88 -4.017 -10.880 3.237 672 H ILE 89 HN ILE 89 -2.948 -9.447 -2.631 673 HA ILE 89 HA ILE 89 -4.134 -12.011 -3.480 674 HB ILE 89 HB ILE 89 -2.911 -10.500 -5.624 675 HG12 ILE 89 2HG1 ILE 89 -3.644 -8.557 -4.203 676 HG13 ILE 89 1HG1 ILE 89 -4.468 -8.645 -5.752 677 HG21 ILE 89 1HG2 ILE 89 -5.209 -10.827 -6.610 678 HG22 ILE 89 2HG2 ILE 89 -5.690 -11.579 -5.094 679 HG23 ILE 89 3HG2 ILE 89 -4.422 -12.312 -6.078 680 HD11 ILE 89 1HD1 ILE 89 -5.851 -10.174 -3.690 681 HD12 ILE 89 2HD1 ILE 89 -6.467 -8.931 -4.777 682 HD13 ILE 89 3HD1 ILE 89 -5.688 -8.471 -3.265 683 H ARG 90 HN ARG 90 -2.792 -13.488 -4.513 684 HA ARG 90 HA ARG 90 0.041 -13.249 -3.771 685 HB2 ARG 90 2HB ARG 90 -0.067 -15.754 -4.594 686 HB3 ARG 90 1HB ARG 90 -0.678 -15.319 -3.000 687 HG2 ARG 90 2HG ARG 90 -2.965 -15.167 -3.893 688 HG3 ARG 90 1HG ARG 90 -2.370 -15.556 -5.507 689 HD2 ARG 90 2HD ARG 90 -3.042 -17.656 -4.784 690 HD3 ARG 90 1HD ARG 90 -1.358 -17.668 -4.272 691 HE ARG 90 HE ARG 90 -2.638 -16.647 -2.105 692 HH11 ARG 90 1HH1 ARG 90 -3.545 -17.912 -0.450 693 HH12 ARG 90 2HH1 ARG 90 -4.057 -19.532 -0.786 694 HH21 ARG 90 1HH2 ARG 90 -3.132 -19.412 -4.127 695 HH22 ARG 90 2HH2 ARG 90 -3.823 -20.382 -2.869 696 H SER 91 HN SER 91 1.099 -12.138 -5.387 697 HA SER 91 HA SER 91 0.515 -11.908 -8.034 698 HB2 SER 91 2HB SER 91 2.375 -10.684 -7.203 699 HB3 SER 91 1HB SER 91 3.186 -12.145 -6.649 700 HG SER 91 HG SER 91 2.642 -11.392 -9.336 701 H HIS 92 HN HIS 92 1.511 -13.001 -9.939 702 HA HIS 92 HA HIS 92 1.159 -15.861 -9.613 703 HB2 HIS 92 2HB HIS 92 1.426 -16.011 -12.041 704 HB3 HIS 92 1HB HIS 92 0.242 -14.782 -11.610 705 HD1 HIS 92 1HD HIS 92 4.014 -14.367 -11.573 706 HD2 HIS 92 2HD HIS 92 0.696 -12.974 -13.673 707 HE1 HIS 92 1HE HIS 92 4.854 -12.549 -13.124 708 H VAL 93 HN VAL 93 3.649 -13.862 -8.979 709 HA VAL 93 HA VAL 93 5.727 -15.769 -9.840 710 HB VAL 93 HB VAL 93 6.046 -12.974 -8.713 711 HG11 VAL 93 1HG1 VAL 93 8.246 -13.751 -10.299 712 HG12 VAL 93 2HG1 VAL 93 7.889 -15.138 -9.271 713 HG13 VAL 93 3HG1 VAL 93 8.212 -13.564 -8.546 714 HG21 VAL 93 1HG2 VAL 93 6.762 -12.595 -11.203 715 HG22 VAL 93 2HG2 VAL 93 5.051 -12.581 -10.780 716 HG23 VAL 93 3HG2 VAL 93 5.767 -14.017 -11.516 717 H LYS 94 HN LYS 94 7.208 -16.579 -8.291 718 HA LYS 94 HA LYS 94 6.086 -17.078 -5.710 719 HB2 LYS 94 2HB LYS 94 7.511 -18.723 -6.874 720 HB3 LYS 94 1HB LYS 94 8.882 -17.622 -6.737 721 HG2 LYS 94 2HG LYS 94 9.275 -18.254 -4.610 722 HG3 LYS 94 1HG LYS 94 7.588 -18.001 -4.163 723 HD2 LYS 94 2HD LYS 94 7.012 -20.209 -5.126 724 HD3 LYS 94 1HD LYS 94 8.710 -20.464 -5.531 725 HE2 LYS 94 2HE LYS 94 8.394 -19.681 -2.746 726 HE3 LYS 94 1HE LYS 94 7.466 -21.133 -3.115 727 HZ1 LYS 94 1HZ LYS 94 9.713 -21.692 -2.464 728 HZ2 LYS 94 2HZ LYS 94 10.348 -20.712 -3.699 729 HZ3 LYS 94 3HZ LYS 94 9.459 -22.106 -4.089 730 H ASP 95 HN ASP 95 6.667 -16.292 -3.723 731 HA ASP 95 HA ASP 95 7.531 -14.865 -2.145 732 HB2 ASP 95 2HB ASP 95 9.681 -14.015 -4.060 733 HB3 ASP 95 1HB ASP 95 9.756 -14.190 -2.307 734 H HIS 96 HN HIS 96 5.640 -13.966 -4.296 735 HA HIS 96 HA HIS 96 6.048 -11.076 -3.887 736 HB2 HIS 96 2HB HIS 96 5.500 -12.488 -6.488 737 HB3 HIS 96 1HB HIS 96 5.064 -10.797 -6.246 738 HD1 HIS 96 1HD HIS 96 8.058 -13.090 -6.393 739 HD2 HIS 96 2HD HIS 96 7.248 -9.006 -6.189 740 HE1 HIS 96 1HE HIS 96 10.257 -11.898 -6.810 741 H TYR 97 HN TYR 97 4.232 -9.920 -3.460 742 HA TYR 97 HA TYR 97 1.612 -11.218 -3.755 743 HB2 TYR 97 2HB TYR 97 2.943 -10.500 -1.213 744 HB3 TYR 97 1HB TYR 97 1.241 -10.059 -1.356 745 HD1 TYR 97 1HD TYR 97 3.639 -12.862 -1.732 746 HD2 TYR 97 2HD TYR 97 -0.456 -11.707 -1.186 747 HE1 TYR 97 1HE TYR 97 3.024 -15.238 -1.317 748 HE2 TYR 97 2HE TYR 97 -1.079 -14.069 -0.775 749 HH TYR 97 HH TYR 97 -0.050 -16.144 -0.071 750 H ILE 98 HN ILE 98 -0.006 -9.852 -4.269 751 HA ILE 98 HA ILE 98 0.704 -7.045 -4.702 752 HB ILE 98 HB ILE 98 -1.803 -8.475 -5.576 753 HG12 ILE 98 2HG1 ILE 98 0.025 -9.799 -6.433 754 HG13 ILE 98 1HG1 ILE 98 -0.595 -8.830 -7.765 755 HG21 ILE 98 1HG2 ILE 98 -1.785 -6.727 -7.327 756 HG22 ILE 98 2HG2 ILE 98 -0.327 -6.046 -6.607 757 HG23 ILE 98 3HG2 ILE 98 -1.842 -6.036 -5.703 758 HD11 ILE 98 1HD1 ILE 98 1.233 -7.098 -6.979 759 HD12 ILE 98 2HD1 ILE 98 1.709 -8.489 -7.955 760 HD13 ILE 98 3HD1 ILE 98 1.950 -8.515 -6.209 761 H PHE 99 HN PHE 99 -0.168 -5.460 -3.491 762 HA PHE 99 HA PHE 99 -2.340 -6.231 -1.649 763 HB2 PHE 99 2HB PHE 99 -0.110 -5.860 -0.544 764 HB3 PHE 99 1HB PHE 99 -0.168 -4.195 -1.117 765 HD1 PHE 99 1HD PHE 99 -1.228 -6.493 1.421 766 HD2 PHE 99 2HD PHE 99 -2.223 -2.768 -0.472 767 HE1 PHE 99 1HE PHE 99 -2.661 -5.892 3.349 768 HE2 PHE 99 2HE PHE 99 -3.656 -2.168 1.457 769 HZ PHE 99 HZ PHE 99 -3.876 -3.730 3.369 770 H TYR 100 HN TYR 100 -4.092 -4.919 -1.610 771 HA TYR 100 HA TYR 100 -3.902 -2.293 -2.951 772 HB2 TYR 100 2HB TYR 100 -4.731 -3.680 -4.705 773 HB3 TYR 100 1HB TYR 100 -5.829 -4.521 -3.618 774 HD1 TYR 100 1HD TYR 100 -5.054 -1.054 -4.791 775 HD2 TYR 100 2HD TYR 100 -8.067 -3.845 -3.565 776 HE1 TYR 100 1HE TYR 100 -6.803 0.620 -5.310 777 HE2 TYR 100 2HE TYR 100 -9.823 -2.172 -4.075 778 HH TYR 100 HH TYR 100 -10.204 -0.213 -5.257 779 H SER 101 HN SER 101 -5.729 -0.873 -2.376 780 HA SER 101 HA SER 101 -7.531 -1.680 -0.294 781 HB2 SER 101 2HB SER 101 -6.460 0.152 1.288 782 HB3 SER 101 1HB SER 101 -5.907 -1.519 1.319 783 HG SER 101 HG SER 101 -4.684 0.771 0.320 784 H GLU 102 HN GLU 102 -8.967 -0.033 0.427 785 HA GLU 102 HA GLU 102 -8.900 2.470 -1.132 786 HB2 GLU 102 2HB GLU 102 -11.608 1.475 -0.970 787 HB3 GLU 102 1HB GLU 102 -10.688 1.982 -2.387 788 HG2 GLU 102 2HG GLU 102 -9.586 -0.229 -2.447 789 HG3 GLU 102 1HG GLU 102 -10.548 -0.740 -1.061 790 H GLY 103 HN GLY 103 -8.663 3.826 0.519 791 HA2 GLY 103 2HA GLY 103 -10.699 3.755 2.678 792 HA3 GLY 103 1HA GLY 103 -9.027 4.228 2.957 793 H GLU 104 HN GLU 104 -9.833 6.246 3.775 794 HA GLU 104 HA GLU 104 -10.024 8.189 1.662 795 HB2 GLU 104 2HB GLU 104 -12.108 9.202 2.399 796 HB3 GLU 104 1HB GLU 104 -12.386 7.511 1.970 797 HG2 GLU 104 2HG GLU 104 -11.880 7.054 4.480 798 HG3 GLU 104 1HG GLU 104 -12.234 8.768 4.690 799 H LEU 105 HN LEU 105 -9.655 10.320 2.341 800 HA LEU 105 HA LEU 105 -8.688 10.583 5.120 801 HB2 LEU 105 2HB LEU 105 -6.957 10.427 3.095 802 HB3 LEU 105 1HB LEU 105 -7.354 12.140 2.955 803 HG LEU 105 HG LEU 105 -6.977 12.111 5.578 804 HD11 LEU 105 1HD1 LEU 105 -5.514 10.460 6.384 805 HD12 LEU 105 2HD1 LEU 105 -5.000 9.990 4.764 806 HD13 LEU 105 3HD1 LEU 105 -6.602 9.536 5.347 807 HD21 LEU 105 1HD2 LEU 105 -4.830 12.089 3.440 808 HD22 LEU 105 2HD2 LEU 105 -4.515 12.562 5.110 809 HD23 LEU 105 3HD2 LEU 105 -5.647 13.492 4.130 810 H HIS 106 HN HIS 106 -10.397 11.679 5.900 811 HA HIS 106 HA HIS 106 -11.627 13.535 6.418 812 HB2 HIS 106 2HB HIS 106 -10.208 15.150 4.331 813 HB3 HIS 106 1HB HIS 106 -10.804 15.648 5.912 814 HD1 HIS 106 1HD HIS 106 -9.536 13.658 7.778 815 HD2 HIS 106 2HD HIS 106 -7.457 15.317 4.569 816 HE1 HIS 106 1HE HIS 106 -7.074 13.436 8.328 817 H GLY 107 HN GLY 107 -12.578 11.656 4.538 818 HA2 GLY 107 2HA GLY 107 -14.569 11.557 3.330 819 HA3 GLY 107 1HA GLY 107 -14.579 13.315 3.244 820 H LYS 108 HN LYS 108 -11.597 12.001 2.349 821 HA LYS 108 HA LYS 108 -12.277 12.320 -0.508 822 HB2 LYS 108 2HB LYS 108 -9.747 12.867 1.024 823 HB3 LYS 108 1HB LYS 108 -9.772 12.739 -0.735 824 HG2 LYS 108 2HG LYS 108 -10.729 14.777 -0.974 825 HG3 LYS 108 1HG LYS 108 -11.900 14.466 0.309 826 HD2 LYS 108 2HD LYS 108 -10.360 15.109 2.008 827 HD3 LYS 108 1HD LYS 108 -9.000 15.087 0.886 828 HE2 LYS 108 2HE LYS 108 -9.663 17.075 -0.160 829 HE3 LYS 108 1HE LYS 108 -11.334 16.914 0.381 830 HZ1 LYS 108 1HZ LYS 108 -10.870 18.053 2.204 831 HZ2 LYS 108 2HZ LYS 108 -9.312 18.354 1.594 832 HZ3 LYS 108 3HZ LYS 108 -9.589 17.015 2.603 833 HA PRO 109 HA PRO 109 -11.415 7.829 -0.141 834 HB2 PRO 109 2HB PRO 109 -11.856 7.306 -2.858 835 HB3 PRO 109 1HB PRO 109 -13.030 7.129 -1.545 836 HG2 PRO 109 2HG PRO 109 -12.784 9.222 -3.572 837 HG3 PRO 109 1HG PRO 109 -14.192 8.713 -2.632 838 HD2 PRO 109 2HD PRO 109 -12.774 11.043 -2.221 839 HD3 PRO 109 1HD PRO 109 -13.811 10.274 -1.000 840 H VAL 110 HN VAL 110 -9.563 6.794 -0.304 841 HA VAL 110 HA VAL 110 -7.649 7.580 -2.403 842 HB VAL 110 HB VAL 110 -5.850 7.794 -0.923 843 HG11 VAL 110 1HG1 VAL 110 -7.894 8.850 0.976 844 HG12 VAL 110 2HG1 VAL 110 -7.875 9.510 -0.657 845 HG13 VAL 110 3HG1 VAL 110 -6.437 9.621 0.355 846 HG21 VAL 110 1HG2 VAL 110 -6.184 7.208 1.563 847 HG22 VAL 110 2HG2 VAL 110 -6.006 5.863 0.432 848 HG23 VAL 110 3HG2 VAL 110 -7.608 6.312 1.027 849 H ARG 111 HN ARG 111 -6.781 5.888 -3.435 850 HA ARG 111 HA ARG 111 -6.656 3.291 -2.099 851 HB2 ARG 111 2HB ARG 111 -7.831 2.116 -3.833 852 HB3 ARG 111 1HB ARG 111 -8.864 3.433 -3.296 853 HG2 ARG 111 2HG ARG 111 -7.120 3.440 -5.784 854 HG3 ARG 111 1HG ARG 111 -8.872 3.300 -5.741 855 HD2 ARG 111 2HD ARG 111 -8.742 5.550 -4.391 856 HD3 ARG 111 1HD ARG 111 -7.158 5.689 -5.152 857 HE ARG 111 HE ARG 111 -8.798 5.117 -7.244 858 HH11 ARG 111 1HH1 ARG 111 -9.905 6.694 -8.445 859 HH12 ARG 111 2HH1 ARG 111 -10.304 8.212 -7.712 860 HH21 ARG 111 1HH2 ARG 111 -8.875 7.408 -4.653 861 HH22 ARG 111 2HH2 ARG 111 -9.721 8.616 -5.564 862 H GLY 112 HN GLY 112 -5.041 1.938 -2.858 863 HA2 GLY 112 2HA GLY 112 -3.586 2.623 -5.280 864 HA3 GLY 112 1HA GLY 112 -2.704 2.919 -3.786 865 H VAL 113 HN VAL 113 -1.762 1.156 -5.658 866 HA VAL 113 HA VAL 113 -2.241 -1.501 -4.467 867 HB VAL 113 HB VAL 113 -0.813 -1.090 -7.073 868 HG11 VAL 113 1HG1 VAL 113 -1.379 -3.322 -7.461 869 HG12 VAL 113 2HG1 VAL 113 -2.816 -3.228 -6.432 870 HG13 VAL 113 3HG1 VAL 113 -1.217 -3.304 -5.697 871 HG21 VAL 113 1HG2 VAL 113 -3.354 -1.607 -7.901 872 HG22 VAL 113 2HG2 VAL 113 -2.634 -0.002 -7.881 873 HG23 VAL 113 3HG2 VAL 113 -3.668 -0.519 -6.554 874 H LYS 114 HN LYS 114 -0.488 -2.626 -3.691 875 HA LYS 114 HA LYS 114 2.173 -1.384 -4.002 876 HB2 LYS 114 2HB LYS 114 1.814 -2.744 -1.461 877 HB3 LYS 114 1HB LYS 114 2.378 -1.101 -1.795 878 HG2 LYS 114 2HG LYS 114 0.040 -0.365 -2.117 879 HG3 LYS 114 1HG LYS 114 -0.519 -1.991 -1.751 880 HD2 LYS 114 2HD LYS 114 -0.105 -1.788 0.484 881 HD3 LYS 114 1HD LYS 114 1.289 -0.744 0.224 882 HE2 LYS 114 2HE LYS 114 -0.036 1.176 -0.061 883 HE3 LYS 114 1HE LYS 114 -1.481 0.231 -0.418 884 HZ1 LYS 114 1HZ LYS 114 -0.586 1.183 2.069 885 HZ2 LYS 114 2HZ LYS 114 -0.587 -0.514 2.113 886 HZ3 LYS 114 3HZ LYS 114 -2.006 0.328 1.716 887 H LEU 115 HN LEU 115 3.759 -2.749 -4.586 888 HA LEU 115 HA LEU 115 3.171 -5.624 -4.764 889 HB2 LEU 115 2HB LEU 115 3.950 -4.665 -6.851 890 HB3 LEU 115 1HB LEU 115 5.300 -3.876 -6.048 891 HG LEU 115 HG LEU 115 6.339 -6.024 -5.571 892 HD11 LEU 115 1HD1 LEU 115 5.145 -8.081 -6.631 893 HD12 LEU 115 2HD1 LEU 115 3.702 -7.073 -6.558 894 HD13 LEU 115 3HD1 LEU 115 4.565 -7.485 -5.076 895 HD21 LEU 115 1HD2 LEU 115 6.528 -6.937 -7.952 896 HD22 LEU 115 2HD2 LEU 115 6.879 -5.216 -7.767 897 HD23 LEU 115 3HD2 LEU 115 5.321 -5.732 -8.410 898 H VAL 116 HN VAL 116 3.961 -6.890 -3.214 899 HA VAL 116 HA VAL 116 6.440 -6.037 -1.900 900 HB VAL 116 HB VAL 116 5.610 -6.341 0.208 901 HG11 VAL 116 1HG1 VAL 116 4.150 -4.711 -1.177 902 HG12 VAL 116 2HG1 VAL 116 3.505 -5.271 0.365 903 HG13 VAL 116 3HG1 VAL 116 2.935 -5.989 -1.142 904 HG21 VAL 116 1HG2 VAL 116 3.550 -7.822 0.600 905 HG22 VAL 116 2HG2 VAL 116 5.034 -8.650 0.134 906 HG23 VAL 116 3HG2 VAL 116 3.768 -8.364 -1.060 907 H GLY 117 HN GLY 117 7.958 -7.542 -1.507 908 HA2 GLY 117 2HA GLY 117 7.305 -10.362 -1.943 909 HA3 GLY 117 1HA GLY 117 8.498 -9.633 -3.012 910 H ARG 118 HN ARG 118 8.991 -11.792 -1.213 911 HA ARG 118 HA ARG 118 10.490 -10.664 1.020 912 HB2 ARG 118 2HB ARG 118 9.116 -12.935 0.902 913 HB3 ARG 118 1HB ARG 118 10.642 -13.553 0.269 914 HG2 ARG 118 2HG ARG 118 11.757 -12.421 2.282 915 HG3 ARG 118 1HG ARG 118 10.131 -12.244 2.943 916 HD2 ARG 118 2HD ARG 118 10.558 -14.307 3.823 917 HD3 ARG 118 1HD ARG 118 10.061 -14.854 2.225 918 HE ARG 118 HE ARG 118 12.268 -15.441 1.791 919 HH11 ARG 118 1HH1 ARG 118 14.447 -15.695 2.379 920 HH12 ARG 118 2HH1 ARG 118 15.061 -14.884 3.780 921 HH21 ARG 118 1HH2 ARG 118 12.035 -13.384 4.565 922 HH22 ARG 118 2HH2 ARG 118 13.695 -13.575 5.017 923 H ASP 119 HN ASP 119 10.938 -11.574 -2.224 924 HA ASP 119 HA ASP 119 13.662 -12.360 -2.167 925 HB2 ASP 119 2HB ASP 119 11.714 -12.395 -4.043 926 HB3 ASP 119 1HB ASP 119 12.668 -11.020 -4.596 927 HA PRO 120 HA PRO 120 15.290 -8.215 -1.149 928 HB2 PRO 120 2HB PRO 120 17.731 -9.448 -2.356 929 HB3 PRO 120 1HB PRO 120 17.558 -8.538 -0.842 930 HG2 PRO 120 2HG PRO 120 17.809 -11.196 -0.871 931 HG3 PRO 120 1HG PRO 120 16.806 -10.355 0.322 932 HD2 PRO 120 2HD PRO 120 15.968 -12.005 -2.001 933 HD3 PRO 120 1HD PRO 120 15.105 -11.661 -0.485 934 H LYS 121 HN LYS 121 15.922 -9.921 -4.192 935 HA LYS 121 HA LYS 121 16.289 -7.397 -5.624 936 HB2 LYS 121 2HB LYS 121 16.736 -10.286 -6.244 937 HB3 LYS 121 1HB LYS 121 16.471 -9.170 -7.584 938 HG2 LYS 121 2HG LYS 121 18.350 -7.839 -6.990 939 HG3 LYS 121 1HG LYS 121 18.474 -8.590 -5.399 940 HD2 LYS 121 2HD LYS 121 19.110 -10.722 -6.425 941 HD3 LYS 121 1HD LYS 121 18.923 -10.023 -8.034 942 HE2 LYS 121 2HE LYS 121 20.722 -8.599 -6.129 943 HE3 LYS 121 1HE LYS 121 21.304 -10.120 -6.808 944 HZ1 LYS 121 1HZ LYS 121 21.663 -9.146 -8.751 945 HZ2 LYS 121 2HZ LYS 121 21.327 -7.649 -8.021 946 HZ3 LYS 121 3HZ LYS 121 20.091 -8.512 -8.807 947 H ASN 122 HN ASN 122 15.049 -6.925 -7.552 948 HA ASN 122 HA ASN 122 12.225 -7.513 -7.158 949 HB2 ASN 122 2HB ASN 122 11.808 -5.739 -8.694 950 HB3 ASN 122 1HB ASN 122 13.133 -5.202 -7.663 951 HD21 ASN 122 1HD2 ASN 122 15.292 -6.626 -8.857 952 HD22 ASN 122 2HD2 ASN 122 15.517 -6.044 -10.436 953 H ASN 123 HN ASN 123 10.848 -8.134 -8.937 954 HA ASN 123 HA ASN 123 12.198 -9.821 -10.955 955 HB2 ASN 123 2HB ASN 123 9.990 -10.461 -9.059 956 HB3 ASN 123 1HB ASN 123 9.882 -11.124 -10.689 957 HD21 ASN 123 1HD2 ASN 123 11.170 -12.943 -11.154 958 HD22 ASN 123 2HD2 ASN 123 12.363 -13.553 -10.112 959 H LEU 124 HN LEU 124 11.911 -8.795 -12.835 960 HA LEU 124 HA LEU 124 10.093 -6.870 -13.499 961 HB2 LEU 124 2HB LEU 124 12.155 -8.125 -14.740 962 HB3 LEU 124 1HB LEU 124 10.791 -8.813 -15.615 963 HG LEU 124 HG LEU 124 11.608 -6.821 -16.725 964 HD11 LEU 124 1HD1 LEU 124 9.025 -5.980 -15.449 965 HD12 LEU 124 2HD1 LEU 124 9.077 -7.437 -16.441 966 HD13 LEU 124 3HD1 LEU 124 9.506 -5.877 -17.141 967 HD21 LEU 124 1HD2 LEU 124 12.127 -4.882 -15.675 968 HD22 LEU 124 2HD2 LEU 124 12.082 -5.853 -14.202 969 HD23 LEU 124 3HD2 LEU 124 10.663 -4.931 -14.693 970 H GLU 125 HN GLU 125 9.711 -10.316 -13.478 971 HA GLU 125 HA GLU 125 7.295 -10.345 -14.982 972 HB2 GLU 125 2HB GLU 125 8.524 -12.322 -13.052 973 HB3 GLU 125 1HB GLU 125 7.085 -12.660 -14.022 974 HG2 GLU 125 2HG GLU 125 9.491 -11.589 -15.431 975 HG3 GLU 125 1HG GLU 125 9.544 -13.270 -14.891 976 H ALA 126 HN ALA 126 8.137 -10.093 -11.590 977 HA ALA 126 HA ALA 126 5.453 -10.281 -10.621 978 HB1 ALA 126 1HB ALA 126 7.659 -10.636 -9.309 979 HB2 ALA 126 2HB ALA 126 6.346 -9.781 -8.498 980 HB3 ALA 126 3HB ALA 126 7.697 -8.878 -9.184 981 H LEU 127 HN LEU 127 7.650 -7.666 -11.545 982 HA LEU 127 HA LEU 127 6.034 -5.535 -10.680 983 HB2 LEU 127 2HB LEU 127 8.452 -5.897 -12.180 984 HB3 LEU 127 1HB LEU 127 7.416 -4.753 -13.031 985 HG LEU 127 HG LEU 127 8.083 -4.579 -10.081 986 HD11 LEU 127 1HD1 LEU 127 10.134 -4.146 -11.170 987 HD12 LEU 127 2HD1 LEU 127 9.432 -2.544 -10.947 988 HD13 LEU 127 3HD1 LEU 127 9.343 -3.334 -12.523 989 HD21 LEU 127 1HD2 LEU 127 6.127 -3.308 -11.749 990 HD22 LEU 127 2HD2 LEU 127 7.324 -2.101 -11.283 991 HD23 LEU 127 3HD2 LEU 127 6.463 -3.012 -10.045 992 H GLU 128 HN GLU 128 6.170 -7.371 -13.717 993 HA GLU 128 HA GLU 128 4.283 -5.764 -15.099 994 HB2 GLU 128 2HB GLU 128 5.721 -7.341 -16.288 995 HB3 GLU 128 1HB GLU 128 4.991 -8.694 -15.423 996 HG2 GLU 128 2HG GLU 128 2.861 -8.323 -16.467 997 HG3 GLU 128 1HG GLU 128 3.391 -6.782 -17.139 998 H ASP 129 HN ASP 129 4.006 -8.673 -13.095 999 HA ASP 129 HA ASP 129 1.240 -9.080 -13.409 1000 HB2 ASP 129 2HB ASP 129 3.039 -10.553 -12.217 1001 HB3 ASP 129 1HB ASP 129 2.636 -9.591 -10.798 1002 H PHE 130 HN PHE 130 3.101 -7.112 -11.133 1003 HA PHE 130 HA PHE 130 0.861 -6.188 -9.657 1004 HB2 PHE 130 2HB PHE 130 2.995 -5.919 -8.664 1005 HB3 PHE 130 1HB PHE 130 3.665 -5.170 -10.113 1006 HD1 PHE 130 1HD PHE 130 1.502 -4.717 -7.199 1007 HD2 PHE 130 2HD PHE 130 3.211 -2.831 -10.649 1008 HE1 PHE 130 1HE PHE 130 0.868 -2.525 -6.312 1009 HE2 PHE 130 2HE PHE 130 2.563 -0.607 -9.754 1010 HZ PHE 130 HZ PHE 130 1.386 -0.449 -7.574 1011 H GLU 131 HN GLU 131 2.719 -4.943 -12.384 1012 HA GLU 131 HA GLU 131 1.318 -2.540 -12.765 1013 HB2 GLU 131 2HB GLU 131 3.539 -3.348 -13.831 1014 HB3 GLU 131 1HB GLU 131 2.506 -4.118 -15.036 1015 HG2 GLU 131 2HG GLU 131 1.370 -1.868 -15.340 1016 HG3 GLU 131 1HG GLU 131 2.654 -1.175 -14.349 1017 H LYS 132 HN LYS 132 0.365 -5.807 -13.290 1018 HA LYS 132 HA LYS 132 -1.637 -5.045 -15.270 1019 HB2 LYS 132 2HB LYS 132 -0.921 -7.655 -13.931 1020 HB3 LYS 132 1HB LYS 132 -2.421 -7.478 -14.828 1021 HG2 LYS 132 2HG LYS 132 0.335 -6.900 -15.962 1022 HG3 LYS 132 1HG LYS 132 -0.542 -8.407 -16.207 1023 HD2 LYS 132 2HD LYS 132 -2.447 -6.632 -16.974 1024 HD3 LYS 132 1HD LYS 132 -0.994 -5.735 -17.410 1025 HE2 LYS 132 2HE LYS 132 -1.719 -8.540 -18.298 1026 HE3 LYS 132 1HE LYS 132 -1.660 -7.097 -19.310 1027 HZ1 LYS 132 1HZ LYS 132 0.387 -7.976 -19.716 1028 HZ2 LYS 132 2HZ LYS 132 0.538 -8.662 -18.170 1029 HZ3 LYS 132 3HZ LYS 132 0.768 -6.993 -18.387 1030 H ALA 133 HN ALA 133 -1.260 -5.830 -11.878 1031 HA ALA 133 HA ALA 133 -4.013 -5.796 -11.233 1032 HB1 ALA 133 1HB ALA 133 -2.121 -6.639 -9.754 1033 HB2 ALA 133 2HB ALA 133 -3.334 -5.650 -8.940 1034 HB3 ALA 133 3HB ALA 133 -1.777 -4.949 -9.383 1035 H ALA 134 HN ALA 134 -1.527 -3.234 -11.043 1036 HA ALA 134 HA ALA 134 -3.298 -1.219 -10.189 1037 HB1 ALA 134 1HB ALA 134 -1.531 0.262 -10.520 1038 HB2 ALA 134 2HB ALA 134 -0.944 -0.608 -11.939 1039 HB3 ALA 134 3HB ALA 134 -0.669 -1.266 -10.327 1040 H GLY 135 HN GLY 135 -2.327 -2.400 -13.362 1041 HA2 GLY 135 2HA GLY 135 -3.755 -0.403 -14.791 1042 HA3 GLY 135 1HA GLY 135 -3.244 -1.961 -15.440 1043 H ALA 136 HN ALA 136 -4.460 -3.773 -13.986 1044 HA ALA 136 HA ALA 136 -6.996 -3.975 -14.983 1045 HB1 ALA 136 1HB ALA 136 -5.763 -5.883 -14.045 1046 HB2 ALA 136 2HB ALA 136 -7.368 -5.758 -13.324 1047 HB3 ALA 136 3HB ALA 136 -5.955 -5.202 -12.429 1048 H ARG 137 HN ARG 137 -5.947 -2.287 -12.140 1049 HA ARG 137 HA ARG 137 -8.641 -1.999 -11.154 1050 HB2 ARG 137 2HB ARG 137 -5.983 -0.820 -10.358 1051 HB3 ARG 137 1HB ARG 137 -7.502 -0.267 -9.646 1052 HG2 ARG 137 2HG ARG 137 -8.028 -2.556 -8.932 1053 HG3 ARG 137 1HG ARG 137 -6.540 -3.141 -9.672 1054 HD2 ARG 137 2HD ARG 137 -5.632 -1.098 -8.061 1055 HD3 ARG 137 1HD ARG 137 -6.945 -1.776 -7.105 1056 HE ARG 137 HE ARG 137 -4.414 -2.991 -7.554 1057 HH11 ARG 137 1HH1 ARG 137 -4.130 -5.135 -6.870 1058 HH12 ARG 137 2HH1 ARG 137 -5.514 -6.129 -6.555 1059 HH21 ARG 137 1HH2 ARG 137 -7.805 -3.649 -7.349 1060 HH22 ARG 137 2HH2 ARG 137 -7.593 -5.288 -6.827 1061 H GLY 138 HN GLY 138 -6.260 -0.234 -13.030 1062 HA2 GLY 138 2HA GLY 138 -7.157 1.116 -14.885 1063 HA3 GLY 138 1HA GLY 138 -8.387 1.692 -13.765 1064 H LEU 139 HN LEU 139 -5.110 1.204 -12.692 1065 HA LEU 139 HA LEU 139 -4.464 4.025 -13.041 1066 HB2 LEU 139 2HB LEU 139 -3.962 4.379 -10.676 1067 HB3 LEU 139 1HB LEU 139 -5.662 3.997 -10.903 1068 HG LEU 139 HG LEU 139 -4.172 1.551 -10.523 1069 HD11 LEU 139 1HD1 LEU 139 -3.677 2.053 -8.065 1070 HD12 LEU 139 2HD1 LEU 139 -3.750 3.755 -8.493 1071 HD13 LEU 139 3HD1 LEU 139 -2.535 2.712 -9.229 1072 HD21 LEU 139 1HD2 LEU 139 -5.758 1.332 -8.629 1073 HD22 LEU 139 2HD2 LEU 139 -6.569 1.803 -10.127 1074 HD23 LEU 139 3HD2 LEU 139 -6.256 3.005 -8.875 1075 H SER 140 HN SER 140 -3.169 2.358 -14.470 1076 HA SER 140 HA SER 140 -0.770 1.445 -13.028 1077 HB2 SER 140 2HB SER 140 -0.240 0.515 -15.407 1078 HB3 SER 140 1HB SER 140 -1.444 -0.294 -14.414 1079 HG SER 140 HG SER 140 -2.934 1.294 -15.536 1080 H THR 141 HN THR 141 -1.648 4.290 -14.123 1081 HA THR 141 HA THR 141 0.980 4.886 -15.357 1082 HB THR 141 HB THR 141 -0.241 6.805 -16.475 1083 HG1 THR 141 1HG THR 141 -2.157 7.006 -15.597 1084 HG21 THR 141 1HG2 THR 141 0.403 4.684 -17.623 1085 HG22 THR 141 2HG2 THR 141 -1.069 5.399 -18.283 1086 HG23 THR 141 3HG2 THR 141 -1.171 4.013 -17.196 1087 H GLU 142 HN GLU 142 -0.181 5.003 -12.508 1088 HA GLU 142 HA GLU 142 -0.337 7.767 -11.805 1089 HB2 GLU 142 2HB GLU 142 0.517 5.584 -9.917 1090 HB3 GLU 142 1HB GLU 142 -0.384 7.057 -9.556 1091 HG2 GLU 142 2HG GLU 142 -1.307 4.497 -10.726 1092 HG3 GLU 142 1HG GLU 142 -2.118 5.556 -9.588 1093 H SER 143 HN SER 143 1.584 6.962 -9.477 1094 HA SER 143 HA SER 143 3.866 8.373 -10.621 1095 HB2 SER 143 2HB SER 143 4.687 8.291 -8.222 1096 HB3 SER 143 1HB SER 143 3.204 9.196 -8.504 1097 HG SER 143 HG SER 143 3.213 6.454 -7.804 1098 H ILE 144 HN ILE 144 3.066 5.065 -9.551 1099 HA ILE 144 HA ILE 144 4.417 3.273 -9.202 1100 HB ILE 144 HB ILE 144 5.138 4.254 -11.939 1101 HG12 ILE 144 2HG1 ILE 144 2.757 3.794 -11.637 1102 HG13 ILE 144 1HG1 ILE 144 3.480 2.568 -12.671 1103 HG21 ILE 144 1HG2 ILE 144 6.849 2.740 -11.578 1104 HG22 ILE 144 2HG2 ILE 144 5.593 1.676 -12.209 1105 HG23 ILE 144 3HG2 ILE 144 5.885 1.764 -10.472 1106 HD11 ILE 144 1HD1 ILE 144 2.411 2.329 -9.901 1107 HD12 ILE 144 2HD1 ILE 144 3.802 1.331 -10.311 1108 HD13 ILE 144 3HD1 ILE 144 2.316 1.191 -11.242 1109 H LEU 145 HN LEU 145 5.757 3.569 -7.609 1110 HA LEU 145 HA LEU 145 8.503 4.341 -8.336 1111 HB2 LEU 145 2HB LEU 145 7.524 6.182 -7.081 1112 HB3 LEU 145 1HB LEU 145 7.007 5.074 -5.814 1113 HG LEU 145 HG LEU 145 9.406 4.504 -5.373 1114 HD11 LEU 145 1HD1 LEU 145 11.044 6.256 -6.370 1115 HD12 LEU 145 2HD1 LEU 145 9.803 6.489 -7.603 1116 HD13 LEU 145 3HD1 LEU 145 10.549 4.907 -7.389 1117 HD21 LEU 145 1HD2 LEU 145 9.020 6.080 -3.831 1118 HD22 LEU 145 2HD2 LEU 145 8.129 7.097 -4.964 1119 HD23 LEU 145 3HD2 LEU 145 9.890 7.184 -4.895 1120 H ILE 146 HN ILE 146 10.104 3.165 -7.443 1121 HA ILE 146 HA ILE 146 9.338 0.806 -5.842 1122 HB ILE 146 HB ILE 146 11.704 1.111 -7.705 1123 HG12 ILE 146 2HG1 ILE 146 10.013 -0.925 -8.614 1124 HG13 ILE 146 1HG1 ILE 146 8.921 0.389 -8.170 1125 HG21 ILE 146 1HG2 ILE 146 11.321 -1.567 -7.291 1126 HG22 ILE 146 2HG2 ILE 146 10.875 -0.920 -5.714 1127 HG23 ILE 146 3HG2 ILE 146 12.469 -0.585 -6.386 1128 HD11 ILE 146 1HD1 ILE 146 11.331 0.629 -9.998 1129 HD12 ILE 146 2HD1 ILE 146 10.270 1.959 -9.529 1130 HD13 ILE 146 3HD1 ILE 146 9.643 0.633 -10.509 1131 HA PRO 147 HA PRO 147 12.023 3.599 -3.305 1132 HB2 PRO 147 2HB PRO 147 10.969 2.908 -0.866 1133 HB3 PRO 147 1HB PRO 147 10.324 4.194 -1.902 1134 HG2 PRO 147 2HG PRO 147 9.358 1.429 -1.493 1135 HG3 PRO 147 1HG PRO 147 8.439 2.918 -1.758 1136 HD2 PRO 147 2HD PRO 147 8.876 1.029 -3.693 1137 HD3 PRO 147 1HD PRO 147 8.586 2.745 -4.055 1138 H ARG 148 HN ARG 148 13.994 2.920 -2.997 1139 HA ARG 148 HA ARG 148 14.941 0.345 -2.846 1140 HB2 ARG 148 2HB ARG 148 16.266 2.501 -3.155 1141 HB3 ARG 148 1HB ARG 148 16.244 2.655 -1.399 1142 HG2 ARG 148 2HG ARG 148 18.077 1.339 -1.376 1143 HG3 ARG 148 1HG ARG 148 17.020 0.007 -1.838 1144 HD2 ARG 148 2HD ARG 148 17.351 0.704 -4.248 1145 HD3 ARG 148 1HD ARG 148 18.587 1.825 -3.682 1146 HE ARG 148 HE ARG 148 18.958 -0.925 -2.821 1147 HH11 ARG 148 1HH1 ARG 148 20.823 -1.937 -3.633 1148 HH12 ARG 148 2HH1 ARG 148 21.700 -1.208 -4.937 1149 HH21 ARG 148 1HH2 ARG 148 19.564 1.510 -5.203 1150 HH22 ARG 148 2HH2 ARG 148 20.986 0.743 -5.826 1151 H GLN 149 HN GLN 149 15.610 -1.019 -1.182 1152 HA GLN 149 HA GLN 149 13.951 -0.993 1.156 1153 HB2 GLN 149 2HB GLN 149 16.347 -2.771 0.751 1154 HB3 GLN 149 1HB GLN 149 14.860 -3.113 1.635 1155 HG2 GLN 149 2HG GLN 149 15.144 -2.794 -1.366 1156 HG3 GLN 149 1HG GLN 149 14.797 -4.287 -0.496 1157 HE21 GLN 149 1HE2 GLN 149 13.080 -2.919 -2.531 1158 HE22 GLN 149 2HE2 GLN 149 11.613 -2.592 -1.742 1159 H SER 150 HN SER 150 14.324 0.145 2.910 1160 HA SER 150 HA SER 150 17.117 0.631 3.760 1161 HB2 SER 150 2HB SER 150 15.320 2.589 2.948 1162 HB3 SER 150 1HB SER 150 15.191 2.620 4.703 1163 HG SER 150 HG SER 150 17.313 3.080 4.860 1164 H GLU 151 HN GLU 151 17.244 -0.950 5.274 1165 HA GLU 151 HA GLU 151 15.582 -2.197 6.893 1166 HB2 GLU 151 2HB GLU 151 18.016 -0.862 8.073 1167 HB3 GLU 151 1HB GLU 151 17.281 -2.388 8.564 1168 HG2 GLU 151 2HG GLU 151 17.734 -3.159 6.138 1169 HG3 GLU 151 1HG GLU 151 18.820 -1.773 6.044 1170 H THR 152 HN THR 152 16.620 1.130 7.542 1171 HA THR 152 HA THR 152 14.163 1.658 8.989 1172 HB THR 152 HB THR 152 15.155 2.309 11.020 1173 HG1 THR 152 1HG THR 152 17.684 2.043 10.880 1174 HG21 THR 152 1HG2 THR 152 15.141 -0.165 10.749 1175 HG22 THR 152 2HG2 THR 152 16.430 0.390 11.812 1176 HG23 THR 152 3HG2 THR 152 16.800 -0.083 10.155 1177 H CYS 153 HN CYS 153 14.408 4.115 9.777 1178 HA CYS 153 HA CYS 153 14.648 5.683 7.506 1179 HB2 CYS 153 2HB CYS 153 14.845 6.465 10.427 1180 HB3 CYS 153 1HB CYS 153 14.681 7.613 9.098 1181 H SER 154 HN SER 154 16.214 7.133 6.850 1182 HA SER 154 HA SER 154 18.946 6.529 7.784 1183 HB2 SER 154 2HB SER 154 18.649 7.726 5.118 1184 HB3 SER 154 1HB SER 154 19.631 6.360 5.642 1185 HG SER 154 HG SER 154 17.119 5.623 5.889 1186 HA PRO 155 HA PRO 155 18.765 11.193 7.213 1187 HB2 PRO 155 2HB PRO 155 16.441 12.430 6.557 1188 HB3 PRO 155 1HB PRO 155 17.514 11.706 5.346 1189 HG2 PRO 155 2HG PRO 155 14.919 10.773 6.351 1190 HG3 PRO 155 1HG PRO 155 15.729 10.426 4.817 1191 HD2 PRO 155 2HD PRO 155 15.618 8.760 7.152 1192 HD3 PRO 155 1HD PRO 155 16.482 8.438 5.632 1193 H GLY 156 HN GLY 156 16.871 9.398 9.176 1194 HA2 GLY 156 2HA GLY 156 16.045 11.633 10.914 1195 HA3 GLY 156 1HA GLY 156 15.422 9.990 11.001 1196 H SER 157 HN SER 157 17.803 12.181 12.118 1197 HA SER 157 HA SER 157 18.563 10.622 14.315 1198 HB2 SER 157 2HB SER 157 21.030 10.310 13.444 1199 HB3 SER 157 1HB SER 157 19.801 9.100 13.089 1200 HG SER 157 HG SER 157 19.772 11.118 11.284 1201 H ASP 158 HN ASP 158 20.546 11.540 15.419 1202 HA ASP 158 HA ASP 158 20.585 14.451 14.977 1203 HB2 ASP 158 2HB ASP 158 19.918 13.628 17.219 1204 HB3 ASP 158 1HB ASP 158 21.494 12.856 17.383 Start of MODEL 20 1 H1 HIS 1 1HT HIS 1 -5.907 -25.463 -3.772 2 H2 HIS 1 2HT HIS 1 -6.875 -26.485 -4.725 3 H3 HIS 1 3HT HIS 1 -7.006 -26.524 -3.032 4 HA HIS 1 HA HIS 1 -8.109 -24.624 -4.947 5 HB2 HIS 1 2HB HIS 1 -9.133 -25.155 -2.185 6 HB3 HIS 1 1HB HIS 1 -10.030 -24.904 -3.682 7 HD1 HIS 1 1HD HIS 1 -9.417 -26.969 -5.543 8 HD2 HIS 1 2HD HIS 1 -9.182 -27.812 -1.467 9 HE1 HIS 1 1HE HIS 1 -9.544 -29.490 -5.323 10 H HIS 2 HN HIS 2 -7.387 -22.591 -4.923 11 HA HIS 2 HA HIS 2 -7.343 -21.037 -2.529 12 HB2 HIS 2 2HB HIS 2 -4.963 -20.517 -2.451 13 HB3 HIS 2 1HB HIS 2 -5.195 -22.254 -2.257 14 HD1 HIS 2 1HD HIS 2 -3.884 -19.687 -4.651 15 HD2 HIS 2 2HD HIS 2 -4.326 -23.829 -4.479 16 HE1 HIS 2 1HE HIS 2 -2.533 -20.632 -6.574 17 H LEU 3 HN LEU 3 -8.327 -19.305 -3.357 18 HA LEU 3 HA LEU 3 -7.403 -18.255 -5.963 19 HB2 LEU 3 2HB LEU 3 -9.628 -17.072 -5.976 20 HB3 LEU 3 1HB LEU 3 -9.731 -18.829 -6.061 21 HG LEU 3 HG LEU 3 -9.710 -17.701 -3.324 22 HD11 LEU 3 1HD1 LEU 3 -12.254 -17.287 -3.608 23 HD12 LEU 3 2HD1 LEU 3 -11.892 -17.133 -5.327 24 HD13 LEU 3 3HD1 LEU 3 -11.149 -16.032 -4.168 25 HD21 LEU 3 1HD2 LEU 3 -11.601 -19.651 -4.665 26 HD22 LEU 3 2HD2 LEU 3 -11.270 -19.487 -2.940 27 HD23 LEU 3 3HD2 LEU 3 -10.033 -20.131 -4.018 28 H LEU 4 HN LEU 4 -9.361 -16.030 -4.542 29 HA LEU 4 HA LEU 4 -7.240 -14.164 -4.101 30 HB2 LEU 4 2HB LEU 4 -9.878 -13.918 -4.673 31 HB3 LEU 4 1HB LEU 4 -9.905 -13.590 -2.941 32 HG LEU 4 HG LEU 4 -8.162 -12.197 -4.993 33 HD11 LEU 4 1HD1 LEU 4 -10.834 -11.758 -4.240 34 HD12 LEU 4 2HD1 LEU 4 -9.791 -10.645 -5.124 35 HD13 LEU 4 3HD1 LEU 4 -9.903 -10.541 -3.368 36 HD21 LEU 4 1HD2 LEU 4 -6.835 -12.099 -3.093 37 HD22 LEU 4 2HD2 LEU 4 -8.205 -12.224 -2.002 38 HD23 LEU 4 3HD2 LEU 4 -7.871 -10.701 -2.810 39 H ALA 5 HN ALA 5 -5.875 -14.706 -2.468 40 HA ALA 5 HA ALA 5 -5.114 -15.191 -0.349 41 HB1 ALA 5 1HB ALA 5 -6.715 -12.869 -0.312 42 HB2 ALA 5 2HB ALA 5 -5.441 -13.324 0.822 43 HB3 ALA 5 3HB ALA 5 -7.112 -13.781 1.146 44 H SER 6 HN SER 6 -5.362 -17.245 0.247 45 HA SER 6 HA SER 6 -7.759 -18.643 0.608 46 HB2 SER 6 2HB SER 6 -5.006 -19.152 0.850 47 HB3 SER 6 1HB SER 6 -5.711 -19.571 2.408 48 HG SER 6 HG SER 6 -6.443 -21.292 1.462 49 H ASP 7 HN ASP 7 -9.190 -18.789 2.254 50 HA ASP 7 HA ASP 7 -9.217 -16.849 4.318 51 HB2 ASP 7 2HB ASP 7 -10.797 -19.268 4.829 52 HB3 ASP 7 1HB ASP 7 -11.319 -17.591 4.681 53 H GLU 8 HN GLU 8 -9.036 -20.387 4.644 54 HA GLU 8 HA GLU 8 -8.541 -20.923 7.159 55 HB2 GLU 8 2HB GLU 8 -6.550 -21.876 5.099 56 HB3 GLU 8 1HB GLU 8 -7.082 -22.715 6.557 57 HG2 GLU 8 2HG GLU 8 -9.414 -22.728 5.606 58 HG3 GLU 8 1HG GLU 8 -8.749 -22.084 4.106 59 H GLU 9 HN GLU 9 -6.043 -19.403 5.128 60 HA GLU 9 HA GLU 9 -4.953 -17.779 7.089 61 HB2 GLU 9 2HB GLU 9 -4.197 -20.533 7.480 62 HB3 GLU 9 1HB GLU 9 -2.772 -19.604 7.041 63 HG2 GLU 9 2HG GLU 9 -3.188 -18.006 8.810 64 HG3 GLU 9 1HG GLU 9 -4.729 -18.768 9.191 65 H ILE 10 HN ILE 10 -5.490 -17.950 4.230 66 HA ILE 10 HA ILE 10 -4.587 -17.301 2.230 67 HB ILE 10 HB ILE 10 -2.415 -16.153 4.003 68 HG12 ILE 10 2HG1 ILE 10 -4.974 -14.880 2.972 69 HG13 ILE 10 1HG1 ILE 10 -4.756 -15.470 4.618 70 HG21 ILE 10 1HG2 ILE 10 -2.251 -14.522 2.078 71 HG22 ILE 10 2HG2 ILE 10 -3.335 -15.579 1.174 72 HG23 ILE 10 3HG2 ILE 10 -1.750 -16.164 1.678 73 HD11 ILE 10 1HD1 ILE 10 -3.363 -13.164 3.252 74 HD12 ILE 10 2HD1 ILE 10 -2.678 -13.928 4.688 75 HD13 ILE 10 3HD1 ILE 10 -4.264 -13.161 4.770 76 H GLN 11 HN GLN 11 -2.926 -17.774 0.668 77 HA GLN 11 HA GLN 11 -1.847 -20.349 0.879 78 HB2 GLN 11 2HB GLN 11 -2.286 -18.999 -1.239 79 HB3 GLN 11 1HB GLN 11 -0.746 -18.197 -0.928 80 HG2 GLN 11 2HG GLN 11 0.087 -19.926 -2.168 81 HG3 GLN 11 1HG GLN 11 0.010 -20.779 -0.627 82 HE21 GLN 11 1HE2 GLN 11 -1.268 -20.674 -3.854 83 HE22 GLN 11 2HE2 GLN 11 -2.400 -21.925 -3.667 84 H ASP 12 HN ASP 12 -0.157 -17.206 1.050 85 HA ASP 12 HA ASP 12 1.817 -18.428 2.848 86 HB2 ASP 12 2HB ASP 12 2.719 -18.551 0.522 87 HB3 ASP 12 1HB ASP 12 2.603 -16.794 0.425 88 H VAL 13 HN VAL 13 2.338 -17.121 4.496 89 HA VAL 13 HA VAL 13 2.723 -14.382 4.482 90 HB VAL 13 HB VAL 13 -0.084 -15.014 4.313 91 HG11 VAL 13 1HG1 VAL 13 0.717 -13.543 6.848 92 HG12 VAL 13 2HG1 VAL 13 -0.086 -15.118 6.778 93 HG13 VAL 13 3HG1 VAL 13 -0.914 -13.678 6.204 94 HG21 VAL 13 1HG2 VAL 13 1.195 -13.161 3.202 95 HG22 VAL 13 2HG2 VAL 13 1.312 -12.366 4.770 96 HG23 VAL 13 3HG2 VAL 13 -0.266 -12.615 4.026 97 H SER 14 HN SER 14 3.095 -13.515 6.544 98 HA SER 14 HA SER 14 2.971 -13.646 8.964 99 HB2 SER 14 2HB SER 14 3.567 -16.594 8.617 100 HB3 SER 14 1HB SER 14 3.333 -15.732 10.131 101 HG SER 14 HG SER 14 1.291 -15.296 8.400 102 H GLY 15 HN GLY 15 4.735 -12.286 8.541 103 HA2 GLY 15 2HA GLY 15 7.102 -12.741 9.683 104 HA3 GLY 15 1HA GLY 15 7.360 -13.477 8.105 105 H THR 16 HN THR 16 9.058 -11.833 7.937 106 HA THR 16 HA THR 16 8.157 -9.091 7.535 107 HB THR 16 HB THR 16 10.932 -10.280 7.391 108 HG1 THR 16 1HG THR 16 10.066 -10.314 9.469 109 HG21 THR 16 1HG2 THR 16 11.264 -8.341 6.226 110 HG22 THR 16 2HG2 THR 16 11.271 -7.635 7.842 111 HG23 THR 16 3HG2 THR 16 9.805 -7.583 6.864 112 H TRP 17 HN TRP 17 8.480 -7.912 5.642 113 HA TRP 17 HA TRP 17 9.155 -9.393 3.198 114 HB2 TRP 17 2HB TRP 17 6.545 -7.947 3.702 115 HB3 TRP 17 1HB TRP 17 7.123 -8.360 2.090 116 HD1 TRP 17 1HD TRP 17 6.259 -10.103 5.432 117 HE1 TRP 17 1HE TRP 17 5.420 -12.482 4.901 118 HE3 TRP 17 3HE TRP 17 6.952 -10.169 0.380 119 HZ2 TRP 17 2HZ TRP 17 5.078 -14.184 2.624 120 HZ3 TRP 17 3HZ TRP 17 6.350 -12.169 -0.950 121 HH2 TRP 17 2HH TRP 17 5.420 -14.180 0.165 122 H TYR 18 HN TYR 18 8.825 -7.612 1.288 123 HA TYR 18 HA TYR 18 9.892 -5.040 2.256 124 HB2 TYR 18 2HB TYR 18 10.946 -6.587 -0.127 125 HB3 TYR 18 1HB TYR 18 11.521 -5.019 0.442 126 HD1 TYR 18 1HD TYR 18 11.002 -8.546 1.614 127 HD2 TYR 18 2HD TYR 18 13.258 -4.912 2.017 128 HE1 TYR 18 1HE TYR 18 12.531 -9.672 3.206 129 HE2 TYR 18 2HE TYR 18 14.789 -6.041 3.608 130 HH TYR 18 HH TYR 18 14.968 -7.890 4.986 131 H LEU 19 HN LEU 19 9.463 -3.286 0.723 132 HA LEU 19 HA LEU 19 7.096 -3.862 -0.944 133 HB2 LEU 19 2HB LEU 19 7.267 -2.094 1.088 134 HB3 LEU 19 1HB LEU 19 7.843 -1.072 -0.228 135 HG LEU 19 HG LEU 19 5.744 -2.075 -1.490 136 HD11 LEU 19 1HD1 LEU 19 5.333 -3.561 0.597 137 HD12 LEU 19 2HD1 LEU 19 3.943 -2.723 -0.092 138 HD13 LEU 19 3HD1 LEU 19 4.727 -2.087 1.352 139 HD21 LEU 19 1HD2 LEU 19 4.377 -0.174 -0.470 140 HD22 LEU 19 2HD2 LEU 19 5.954 0.282 -1.115 141 HD23 LEU 19 3HD2 LEU 19 5.735 0.092 0.624 142 H LYS 20 HN LYS 20 7.342 -3.698 -3.062 143 HA LYS 20 HA LYS 20 9.826 -2.491 -4.076 144 HB2 LYS 20 2HB LYS 20 8.014 -4.426 -5.519 145 HB3 LYS 20 1HB LYS 20 9.672 -3.985 -5.926 146 HG2 LYS 20 2HG LYS 20 9.826 -4.854 -3.263 147 HG3 LYS 20 1HG LYS 20 8.715 -5.990 -4.023 148 HD2 LYS 20 2HD LYS 20 11.456 -5.249 -5.093 149 HD3 LYS 20 1HD LYS 20 11.083 -6.726 -4.209 150 HE2 LYS 20 2HE LYS 20 9.190 -6.915 -6.101 151 HE3 LYS 20 1HE LYS 20 10.361 -5.951 -7.000 152 HZ1 LYS 20 1HZ LYS 20 10.900 -8.192 -7.396 153 HZ2 LYS 20 2HZ LYS 20 10.766 -8.608 -5.753 154 HZ3 LYS 20 3HZ LYS 20 12.056 -7.638 -6.285 155 H ALA 21 HN ALA 21 6.906 -3.126 -5.971 156 HA ALA 21 HA ALA 21 6.981 -0.390 -6.959 157 HB1 ALA 21 1HB ALA 21 6.024 -1.306 -8.759 158 HB2 ALA 21 2HB ALA 21 4.657 -1.865 -7.795 159 HB3 ALA 21 3HB ALA 21 6.097 -2.875 -7.949 160 H MET 22 HN MET 22 5.609 1.241 -6.420 161 HA MET 22 HA MET 22 3.304 0.586 -4.733 162 HB2 MET 22 2HB MET 22 4.764 1.207 -3.050 163 HB3 MET 22 1HB MET 22 5.622 2.353 -4.076 164 HG2 MET 22 2HG MET 22 3.934 3.983 -3.879 165 HG3 MET 22 1HG MET 22 2.733 2.808 -3.337 166 HE1 MET 22 1HE MET 22 4.838 5.721 -1.940 167 HE2 MET 22 2HE MET 22 3.692 5.575 -0.609 168 HE3 MET 22 3HE MET 22 3.123 5.444 -2.270 169 H THR 23 HN THR 23 1.646 1.211 -5.911 170 HA THR 23 HA THR 23 1.687 3.391 -7.766 171 HB THR 23 HB THR 23 -0.963 3.048 -7.231 172 HG1 THR 23 1HG THR 23 -0.038 1.374 -5.684 173 HG21 THR 23 1HG2 THR 23 -0.053 2.845 -9.439 174 HG22 THR 23 2HG2 THR 23 -0.886 1.334 -9.079 175 HG23 THR 23 3HG2 THR 23 0.874 1.415 -8.987 176 H VAL 24 HN VAL 24 1.323 5.560 -7.390 177 HA VAL 24 HA VAL 24 0.607 6.281 -4.619 178 HB VAL 24 HB VAL 24 1.675 8.284 -6.574 179 HG11 VAL 24 1HG1 VAL 24 1.026 8.446 -3.963 180 HG12 VAL 24 2HG1 VAL 24 2.308 9.413 -4.690 181 HG13 VAL 24 3HG1 VAL 24 2.709 7.933 -3.820 182 HG21 VAL 24 1HG2 VAL 24 3.322 6.124 -5.228 183 HG22 VAL 24 2HG2 VAL 24 3.999 7.569 -5.979 184 HG23 VAL 24 3HG2 VAL 24 3.149 6.378 -6.964 185 H ASP 25 HN ASP 25 0.100 9.070 -6.020 186 HA ASP 25 HA ASP 25 -1.811 10.207 -6.539 187 HB2 ASP 25 2HB ASP 25 -1.148 8.245 -8.550 188 HB3 ASP 25 1HB ASP 25 -2.866 8.631 -8.583 189 H ARG 26 HN ARG 26 -3.755 10.447 -5.685 190 HA ARG 26 HA ARG 26 -5.622 9.937 -4.455 191 HB2 ARG 26 2HB ARG 26 -6.694 7.772 -5.991 192 HB3 ARG 26 1HB ARG 26 -7.186 9.453 -5.973 193 HG2 ARG 26 2HG ARG 26 -5.031 8.252 -7.755 194 HG3 ARG 26 1HG ARG 26 -6.643 8.743 -8.246 195 HD2 ARG 26 2HD ARG 26 -5.430 10.948 -6.882 196 HD3 ARG 26 1HD ARG 26 -4.312 10.359 -8.113 197 HE ARG 26 HE ARG 26 -7.068 10.699 -8.989 198 HH11 ARG 26 1HH1 ARG 26 -7.363 12.248 -10.619 199 HH12 ARG 26 2HH1 ARG 26 -6.077 13.338 -11.014 200 HH21 ARG 26 1HH2 ARG 26 -3.891 12.034 -8.658 201 HH22 ARG 26 2HH2 ARG 26 -4.111 13.217 -9.905 202 H GLU 27 HN GLU 27 -4.154 9.119 -2.800 203 HA GLU 27 HA GLU 27 -5.032 6.555 -1.883 204 HB2 GLU 27 2HB GLU 27 -3.170 5.958 -3.466 205 HB3 GLU 27 1HB GLU 27 -2.078 6.848 -2.416 206 HG2 GLU 27 2HG GLU 27 -3.038 5.373 -0.509 207 HG3 GLU 27 1HG GLU 27 -3.630 4.343 -1.808 208 H PHE 28 HN PHE 28 -2.072 8.502 -1.360 209 HA PHE 28 HA PHE 28 -2.990 9.917 0.895 210 HB2 PHE 28 2HB PHE 28 -2.666 7.188 1.500 211 HB3 PHE 28 1HB PHE 28 -1.262 7.997 2.185 212 HD1 PHE 28 1HD PHE 28 -4.779 7.355 2.536 213 HD2 PHE 28 2HD PHE 28 -1.643 10.072 3.636 214 HE1 PHE 28 1HE PHE 28 -6.167 8.197 4.411 215 HE2 PHE 28 2HE PHE 28 -3.030 10.920 5.508 216 HZ PHE 28 HZ PHE 28 -5.293 9.980 5.897 217 HA PRO 29 HA PRO 29 1.794 10.053 0.757 218 HB2 PRO 29 2HB PRO 29 2.750 8.958 -1.733 219 HB3 PRO 29 1HB PRO 29 3.044 8.371 -0.092 220 HG2 PRO 29 2HG PRO 29 1.538 7.086 -2.016 221 HG3 PRO 29 1HG PRO 29 1.492 6.762 -0.280 222 HD2 PRO 29 2HD PRO 29 -0.409 8.317 -1.969 223 HD3 PRO 29 1HD PRO 29 -0.712 7.326 -0.517 224 H GLU 30 HN GLU 30 -0.156 11.769 -0.267 225 HA GLU 30 HA GLU 30 0.029 12.976 -2.677 226 HB2 GLU 30 2HB GLU 30 -1.130 13.753 -0.425 227 HB3 GLU 30 1HB GLU 30 0.283 14.803 -0.320 228 HG2 GLU 30 2HG GLU 30 -0.195 15.647 -2.603 229 HG3 GLU 30 1HG GLU 30 -1.640 14.637 -2.658 230 H MET 31 HN MET 31 2.051 14.198 -0.027 231 HA MET 31 HA MET 31 3.845 15.707 -1.353 232 HB2 MET 31 2HB MET 31 5.325 14.142 0.572 233 HB3 MET 31 1HB MET 31 4.784 15.805 0.675 234 HG2 MET 31 2HG MET 31 3.828 14.511 2.508 235 HG3 MET 31 1HG MET 31 2.546 15.001 1.407 236 HE1 MET 31 1HE MET 31 1.504 13.487 2.982 237 HE2 MET 31 2HE MET 31 1.390 11.735 2.846 238 HE3 MET 31 3HE MET 31 0.600 12.759 1.647 239 H ASN 32 HN ASN 32 5.585 12.790 -0.381 240 HA ASN 32 HA ASN 32 5.768 11.525 -2.892 241 HB2 ASN 32 2HB ASN 32 6.862 13.498 -3.727 242 HB3 ASN 32 1HB ASN 32 7.913 13.573 -2.315 243 HD21 ASN 32 1HD2 ASN 32 7.072 10.590 -4.090 244 HD22 ASN 32 2HD2 ASN 32 8.650 10.280 -4.632 245 H LEU 33 HN LEU 33 6.240 9.505 -2.214 246 HA LEU 33 HA LEU 33 7.614 8.999 0.224 247 HB2 LEU 33 2HB LEU 33 5.940 7.422 -0.570 248 HB3 LEU 33 1HB LEU 33 6.830 7.181 -2.070 249 HG LEU 33 HG LEU 33 8.691 6.179 -0.848 250 HD11 LEU 33 1HD1 LEU 33 7.122 7.160 1.500 251 HD12 LEU 33 2HD1 LEU 33 8.866 7.136 1.240 252 HD13 LEU 33 3HD1 LEU 33 8.024 5.656 1.677 253 HD21 LEU 33 1HD2 LEU 33 6.885 4.670 -1.503 254 HD22 LEU 33 2HD2 LEU 33 6.006 5.052 -0.020 255 HD23 LEU 33 3HD2 LEU 33 7.535 4.178 0.063 256 H GLU 34 HN GLU 34 9.728 9.071 0.539 257 HA GLU 34 HA GLU 34 11.511 9.129 -1.788 258 HB2 GLU 34 2HB GLU 34 11.768 9.959 1.080 259 HB3 GLU 34 1HB GLU 34 13.211 9.697 0.100 260 HG2 GLU 34 2HG GLU 34 12.523 11.347 -1.504 261 HG3 GLU 34 1HG GLU 34 10.924 11.476 -0.773 262 H SER 35 HN SER 35 10.825 7.125 1.041 263 HA SER 35 HA SER 35 12.296 4.939 -0.132 264 HB2 SER 35 2HB SER 35 13.338 5.353 2.560 265 HB3 SER 35 1HB SER 35 14.191 4.955 1.071 266 HG SER 35 HG SER 35 13.756 7.375 2.282 267 H VAL 36 HN VAL 36 12.130 2.956 1.217 268 HA VAL 36 HA VAL 36 9.973 3.087 3.196 269 HB VAL 36 HB VAL 36 9.188 2.458 0.827 270 HG11 VAL 36 1HG1 VAL 36 10.182 -0.281 1.555 271 HG12 VAL 36 2HG1 VAL 36 11.266 0.832 0.722 272 HG13 VAL 36 3HG1 VAL 36 9.740 0.362 -0.028 273 HG21 VAL 36 1HG2 VAL 36 8.711 0.761 3.290 274 HG22 VAL 36 2HG2 VAL 36 7.770 0.567 1.812 275 HG23 VAL 36 3HG2 VAL 36 7.728 2.096 2.691 276 H THR 37 HN THR 37 9.943 1.378 4.708 277 HA THR 37 HA THR 37 12.536 -0.018 4.914 278 HB THR 37 HB THR 37 12.104 -0.106 7.313 279 HG1 THR 37 1HG THR 37 10.167 0.145 8.037 280 HG21 THR 37 1HG2 THR 37 13.036 1.986 6.193 281 HG22 THR 37 2HG2 THR 37 12.337 2.213 7.796 282 HG23 THR 37 3HG2 THR 37 11.420 2.671 6.361 283 HA PRO 38 HA PRO 38 10.817 -4.088 4.315 284 HB2 PRO 38 2HB PRO 38 11.773 -4.596 7.116 285 HB3 PRO 38 1HB PRO 38 11.973 -5.598 5.664 286 HG2 PRO 38 2HG PRO 38 13.948 -4.069 6.623 287 HG3 PRO 38 1HG PRO 38 13.731 -4.361 4.890 288 HD2 PRO 38 2HD PRO 38 13.304 -1.876 6.416 289 HD3 PRO 38 1HD PRO 38 13.521 -2.102 4.667 290 H MET 39 HN MET 39 8.748 -4.901 4.653 291 HA MET 39 HA MET 39 7.173 -3.632 6.757 292 HB2 MET 39 2HB MET 39 6.224 -3.533 4.536 293 HB3 MET 39 1HB MET 39 6.383 -5.281 4.350 294 HG2 MET 39 2HG MET 39 4.588 -5.729 5.695 295 HG3 MET 39 1HG MET 39 4.900 -4.351 6.748 296 HE1 MET 39 1HE MET 39 3.099 -4.246 2.558 297 HE2 MET 39 2HE MET 39 2.625 -5.554 3.637 298 HE3 MET 39 3HE MET 39 4.323 -5.334 3.225 299 H THR 40 HN THR 40 6.195 -4.705 8.386 300 HA THR 40 HA THR 40 6.926 -7.538 8.698 301 HB THR 40 HB THR 40 6.060 -5.635 10.875 302 HG1 THR 40 1HG THR 40 8.174 -5.217 11.201 303 HG21 THR 40 1HG2 THR 40 6.355 -8.408 10.806 304 HG22 THR 40 2HG2 THR 40 6.294 -7.403 12.253 305 HG23 THR 40 3HG2 THR 40 7.850 -7.832 11.542 306 H LEU 41 HN LEU 41 5.267 -8.741 7.920 307 HA LEU 41 HA LEU 41 2.509 -7.945 8.558 308 HB2 LEU 41 2HB LEU 41 3.685 -9.960 6.637 309 HB3 LEU 41 1HB LEU 41 1.957 -9.807 6.940 310 HG LEU 41 HG LEU 41 2.841 -7.177 6.457 311 HD11 LEU 41 1HD1 LEU 41 4.028 -9.152 4.487 312 HD12 LEU 41 2HD1 LEU 41 4.925 -8.043 5.529 313 HD13 LEU 41 3HD1 LEU 41 3.915 -7.412 4.230 314 HD21 LEU 41 1HD2 LEU 41 0.683 -8.063 5.800 315 HD22 LEU 41 2HD2 LEU 41 1.454 -9.231 4.729 316 HD23 LEU 41 3HD2 LEU 41 1.517 -7.512 4.345 317 H THR 42 HN THR 42 1.849 -8.672 10.462 318 HA THR 42 HA THR 42 2.686 -11.342 11.355 319 HB THR 42 HB THR 42 2.656 -10.529 13.460 320 HG1 THR 42 1HG THR 42 0.790 -8.914 13.889 321 HG21 THR 42 1HG2 THR 42 2.118 -7.851 12.159 322 HG22 THR 42 2HG2 THR 42 3.684 -8.662 12.105 323 HG23 THR 42 3HG2 THR 42 3.005 -8.156 13.652 324 H THR 43 HN THR 43 1.245 -12.962 11.544 325 HA THR 43 HA THR 43 -1.487 -12.409 10.618 326 HB THR 43 HB THR 43 -0.246 -15.125 11.059 327 HG1 THR 43 1HG THR 43 1.021 -14.040 9.571 328 HG21 THR 43 1HG2 THR 43 -2.438 -14.248 9.172 329 HG22 THR 43 2HG2 THR 43 -2.766 -14.791 10.820 330 HG23 THR 43 3HG2 THR 43 -2.022 -15.892 9.660 331 H LEU 44 HN LEU 44 -3.014 -12.136 12.091 332 HA LEU 44 HA LEU 44 -2.581 -13.041 14.818 333 HB2 LEU 44 2HB LEU 44 -5.051 -11.639 13.834 334 HB3 LEU 44 1HB LEU 44 -4.310 -11.585 15.434 335 HG LEU 44 HG LEU 44 -3.217 -10.358 12.884 336 HD11 LEU 44 1HD1 LEU 44 -4.164 -8.449 13.611 337 HD12 LEU 44 2HD1 LEU 44 -3.435 -8.642 15.205 338 HD13 LEU 44 3HD1 LEU 44 -4.991 -9.392 14.850 339 HD21 LEU 44 1HD2 LEU 44 -1.986 -10.899 15.572 340 HD22 LEU 44 2HD2 LEU 44 -1.515 -9.453 14.679 341 HD23 LEU 44 3HD2 LEU 44 -1.267 -11.048 13.968 342 H GLU 45 HN GLU 45 -3.314 -14.883 15.582 343 HA GLU 45 HA GLU 45 -4.561 -16.891 14.204 344 HB2 GLU 45 2HB GLU 45 -4.857 -16.248 17.148 345 HB3 GLU 45 1HB GLU 45 -5.266 -17.794 16.405 346 HG2 GLU 45 2HG GLU 45 -2.887 -17.909 15.554 347 HG3 GLU 45 1HG GLU 45 -2.534 -16.496 16.548 348 H GLY 46 HN GLY 46 -6.139 -14.336 16.108 349 HA2 GLY 46 2HA GLY 46 -8.760 -15.069 16.080 350 HA3 GLY 46 1HA GLY 46 -8.243 -13.402 15.840 351 H GLY 47 HN GLY 47 -6.786 -14.395 13.343 352 HA2 GLY 47 2HA GLY 47 -7.500 -15.249 11.183 353 HA3 GLY 47 1HA GLY 47 -9.130 -14.706 11.569 354 H ASN 48 HN ASN 48 -6.725 -12.541 12.585 355 HA ASN 48 HA ASN 48 -7.251 -10.804 10.247 356 HB2 ASN 48 2HB ASN 48 -6.341 -9.798 12.927 357 HB3 ASN 48 1HB ASN 48 -7.196 -8.933 11.651 358 HD21 ASN 48 1HD2 ASN 48 -9.431 -10.286 11.103 359 HD22 ASN 48 2HD2 ASN 48 -10.355 -10.612 12.488 360 H LEU 49 HN LEU 49 -5.512 -9.265 9.724 361 HA LEU 49 HA LEU 49 -2.821 -10.395 10.252 362 HB2 LEU 49 2HB LEU 49 -4.201 -10.148 7.784 363 HB3 LEU 49 1HB LEU 49 -2.931 -8.928 7.789 364 HG LEU 49 HG LEU 49 -2.422 -11.826 8.512 365 HD11 LEU 49 1HD1 LEU 49 -2.817 -10.536 5.907 366 HD12 LEU 49 2HD1 LEU 49 -2.767 -12.250 6.318 367 HD13 LEU 49 3HD1 LEU 49 -1.267 -11.364 6.046 368 HD21 LEU 49 1HD2 LEU 49 -0.259 -11.176 8.780 369 HD22 LEU 49 2HD2 LEU 49 -0.906 -9.539 8.889 370 HD23 LEU 49 3HD2 LEU 49 -0.308 -10.148 7.350 371 H GLU 50 HN GLU 50 -1.218 -8.950 10.770 372 HA GLU 50 HA GLU 50 -1.987 -6.099 10.863 373 HB2 GLU 50 2HB GLU 50 -1.772 -7.059 13.113 374 HB3 GLU 50 1HB GLU 50 -0.139 -7.601 12.724 375 HG2 GLU 50 2HG GLU 50 0.654 -5.358 12.499 376 HG3 GLU 50 1HG GLU 50 -0.982 -4.703 12.509 377 H ALA 51 HN ALA 51 -0.855 -4.818 9.586 378 HA ALA 51 HA ALA 51 1.814 -5.739 8.732 379 HB1 ALA 51 1HB ALA 51 -0.490 -4.797 7.224 380 HB2 ALA 51 2HB ALA 51 0.933 -5.689 6.676 381 HB3 ALA 51 3HB ALA 51 0.996 -3.929 6.825 382 H LYS 52 HN LYS 52 3.462 -4.561 9.353 383 HA LYS 52 HA LYS 52 3.002 -1.703 9.935 384 HB2 LYS 52 2HB LYS 52 5.137 -2.990 11.480 385 HB3 LYS 52 1HB LYS 52 3.890 -1.859 12.004 386 HG2 LYS 52 2HG LYS 52 2.240 -3.800 11.777 387 HG3 LYS 52 1HG LYS 52 3.651 -4.849 11.646 388 HD2 LYS 52 2HD LYS 52 4.358 -3.406 13.824 389 HD3 LYS 52 1HD LYS 52 2.603 -3.376 14.000 390 HE2 LYS 52 2HE LYS 52 3.481 -5.327 15.163 391 HE3 LYS 52 1HE LYS 52 2.573 -5.859 13.749 392 HZ1 LYS 52 1HZ LYS 52 4.632 -6.082 12.532 393 HZ2 LYS 52 2HZ LYS 52 4.705 -7.003 13.958 394 HZ3 LYS 52 3HZ LYS 52 5.521 -5.516 13.859 395 H VAL 53 HN VAL 53 4.190 -0.413 8.686 396 HA VAL 53 HA VAL 53 6.938 -1.178 8.056 397 HB VAL 53 HB VAL 53 5.555 -2.012 6.181 398 HG11 VAL 53 1HG1 VAL 53 4.239 -0.493 4.841 399 HG12 VAL 53 2HG1 VAL 53 4.798 0.895 5.776 400 HG13 VAL 53 3HG1 VAL 53 3.733 -0.298 6.520 401 HG21 VAL 53 1HG2 VAL 53 6.716 0.254 4.786 402 HG22 VAL 53 2HG2 VAL 53 7.247 -1.426 4.802 403 HG23 VAL 53 3HG2 VAL 53 7.800 -0.316 6.054 404 H THR 54 HN THR 54 8.261 0.583 7.669 405 HA THR 54 HA THR 54 7.096 3.185 8.381 406 HB THR 54 HB THR 54 10.035 2.658 8.316 407 HG1 THR 54 1HG THR 54 8.513 2.117 10.612 408 HG21 THR 54 1HG2 THR 54 10.139 4.438 9.814 409 HG22 THR 54 2HG2 THR 54 8.505 4.157 10.416 410 HG23 THR 54 3HG2 THR 54 8.745 4.892 8.831 411 H MET 55 HN MET 55 6.966 4.717 6.876 412 HA MET 55 HA MET 55 8.545 4.348 4.409 413 HB2 MET 55 2HB MET 55 6.438 6.185 3.961 414 HB3 MET 55 1HB MET 55 6.658 4.593 3.249 415 HG2 MET 55 2HG MET 55 5.605 3.670 5.426 416 HG3 MET 55 1HG MET 55 5.096 5.338 5.724 417 HE1 MET 55 1HE MET 55 3.044 6.203 2.585 418 HE2 MET 55 2HE MET 55 4.778 6.050 2.320 419 HE3 MET 55 3HE MET 55 4.181 6.767 3.817 420 H LEU 56 HN LEU 56 9.468 6.120 3.429 421 HA LEU 56 HA LEU 56 9.995 8.353 5.287 422 HB2 LEU 56 2HB LEU 56 11.990 7.150 4.382 423 HB3 LEU 56 1HB LEU 56 11.493 7.614 2.755 424 HG LEU 56 HG LEU 56 11.620 10.012 3.417 425 HD11 LEU 56 1HD1 LEU 56 11.348 10.227 5.698 426 HD12 LEU 56 2HD1 LEU 56 13.110 10.226 5.636 427 HD13 LEU 56 3HD1 LEU 56 12.243 8.750 6.054 428 HD21 LEU 56 1HD2 LEU 56 13.573 9.149 2.344 429 HD22 LEU 56 2HD2 LEU 56 14.072 8.279 3.795 430 HD23 LEU 56 3HD2 LEU 56 14.156 10.039 3.750 431 H ILE 57 HN ILE 57 8.071 9.477 4.912 432 HA ILE 57 HA ILE 57 7.361 10.194 2.204 433 HB ILE 57 HB ILE 57 6.102 10.699 4.893 434 HG12 ILE 57 2HG1 ILE 57 6.063 8.438 3.485 435 HG13 ILE 57 1HG1 ILE 57 4.620 9.011 4.315 436 HG21 ILE 57 1HG2 ILE 57 4.176 11.552 3.413 437 HG22 ILE 57 2HG2 ILE 57 5.405 11.758 2.160 438 HG23 ILE 57 3HG2 ILE 57 5.535 12.640 3.682 439 HD11 ILE 57 1HD1 ILE 57 4.362 8.299 1.847 440 HD12 ILE 57 2HD1 ILE 57 5.192 9.803 1.459 441 HD13 ILE 57 3HD1 ILE 57 3.656 9.842 2.322 442 H SER 58 HN SER 58 8.244 11.819 1.238 443 HA SER 58 HA SER 58 9.471 13.736 0.899 444 HB2 SER 58 2HB SER 58 6.929 14.400 2.252 445 HB3 SER 58 1HB SER 58 8.114 15.697 2.176 446 HG SER 58 HG SER 58 6.630 15.410 0.320 447 H GLY 59 HN GLY 59 10.883 12.357 2.738 448 HA2 GLY 59 2HA GLY 59 12.629 12.749 4.198 449 HA3 GLY 59 1HA GLY 59 12.175 14.449 4.216 450 H ARG 60 HN ARG 60 9.825 12.000 4.972 451 HA ARG 60 HA ARG 60 10.118 12.556 7.857 452 HB2 ARG 60 2HB ARG 60 7.436 12.403 6.468 453 HB3 ARG 60 1HB ARG 60 7.758 12.855 8.138 454 HG2 ARG 60 2HG ARG 60 8.867 14.441 5.808 455 HG3 ARG 60 1HG ARG 60 7.285 14.777 6.506 456 HD2 ARG 60 2HD ARG 60 8.404 15.009 8.750 457 HD3 ARG 60 1HD ARG 60 9.956 14.873 7.931 458 HE ARG 60 HE ARG 60 9.700 17.060 7.217 459 HH11 ARG 60 1HH1 ARG 60 8.579 19.024 7.018 460 HH12 ARG 60 2HH1 ARG 60 6.889 19.091 7.389 461 HH21 ARG 60 1HH2 ARG 60 6.665 15.732 8.217 462 HH22 ARG 60 2HH2 ARG 60 5.805 17.227 8.067 463 H CYS 61 HN CYS 61 10.108 10.765 9.068 464 HA CYS 61 HA CYS 61 9.692 8.200 7.764 465 HB2 CYS 61 2HB CYS 61 10.503 8.923 10.592 466 HB3 CYS 61 1HB CYS 61 10.411 7.277 9.966 467 H GLN 62 HN GLN 62 7.590 7.741 7.442 468 HA GLN 62 HA GLN 62 5.669 8.253 9.602 469 HB2 GLN 62 2HB GLN 62 5.496 7.947 6.656 470 HB3 GLN 62 1HB GLN 62 4.137 7.329 7.595 471 HG2 GLN 62 2HG GLN 62 5.273 10.087 8.065 472 HG3 GLN 62 1HG GLN 62 4.012 9.791 6.868 473 HE21 GLN 62 1HE2 GLN 62 3.566 7.531 9.304 474 HE22 GLN 62 2HE2 GLN 62 2.432 8.376 10.242 475 H GLU 63 HN GLU 63 5.496 6.646 11.021 476 HA GLU 63 HA GLU 63 6.004 3.888 10.280 477 HB2 GLU 63 2HB GLU 63 6.734 4.277 12.451 478 HB3 GLU 63 1HB GLU 63 5.397 5.366 12.815 479 HG2 GLU 63 2HG GLU 63 3.875 3.590 13.117 480 HG3 GLU 63 1HG GLU 63 4.911 2.441 12.272 481 H VAL 64 HN VAL 64 4.500 2.738 9.259 482 HA VAL 64 HA VAL 64 1.664 3.424 9.705 483 HB VAL 64 HB VAL 64 2.647 1.515 7.609 484 HG11 VAL 64 1HG1 VAL 64 0.162 2.240 8.311 485 HG12 VAL 64 2HG1 VAL 64 0.598 1.912 6.633 486 HG13 VAL 64 3HG1 VAL 64 0.526 3.574 7.216 487 HG21 VAL 64 1HG2 VAL 64 4.092 3.399 7.253 488 HG22 VAL 64 2HG2 VAL 64 2.786 4.540 7.571 489 HG23 VAL 64 3HG2 VAL 64 2.768 3.570 6.100 490 H LYS 65 HN LYS 65 0.188 1.865 10.380 491 HA LYS 65 HA LYS 65 1.039 -0.875 10.837 492 HB2 LYS 65 2HB LYS 65 1.906 0.181 12.842 493 HB3 LYS 65 1HB LYS 65 0.373 0.996 13.125 494 HG2 LYS 65 2HG LYS 65 -0.014 -1.879 12.830 495 HG3 LYS 65 1HG LYS 65 1.160 -1.531 14.092 496 HD2 LYS 65 2HD LYS 65 -0.377 -0.361 15.402 497 HD3 LYS 65 1HD LYS 65 -1.426 0.015 14.038 498 HE2 LYS 65 2HE LYS 65 -2.044 -2.375 13.864 499 HE3 LYS 65 1HE LYS 65 -1.037 -2.721 15.273 500 HZ1 LYS 65 1HZ LYS 65 -2.694 -2.108 16.583 501 HZ2 LYS 65 2HZ LYS 65 -3.677 -1.825 15.226 502 HZ3 LYS 65 3HZ LYS 65 -2.734 -0.568 15.872 503 H ALA 66 HN ALA 66 -0.642 -1.503 9.497 504 HA ALA 66 HA ALA 66 -3.355 -0.742 10.342 505 HB1 ALA 66 1HB ALA 66 -2.152 -1.495 7.706 506 HB2 ALA 66 2HB ALA 66 -3.201 -0.136 8.109 507 HB3 ALA 66 3HB ALA 66 -3.871 -1.762 7.989 508 H VAL 67 HN VAL 67 -4.987 -2.320 10.262 509 HA VAL 67 HA VAL 67 -4.013 -5.062 10.674 510 HB VAL 67 HB VAL 67 -6.421 -3.956 12.097 511 HG11 VAL 67 1HG1 VAL 67 -6.140 -6.402 11.965 512 HG12 VAL 67 2HG1 VAL 67 -5.905 -5.839 13.620 513 HG13 VAL 67 3HG1 VAL 67 -4.511 -6.255 12.623 514 HG21 VAL 67 1HG2 VAL 67 -4.936 -3.591 14.050 515 HG22 VAL 67 2HG2 VAL 67 -4.488 -2.545 12.704 516 HG23 VAL 67 3HG2 VAL 67 -3.538 -3.989 13.052 517 H LEU 68 HN LEU 68 -4.681 -6.297 9.102 518 HA LEU 68 HA LEU 68 -6.974 -5.619 7.479 519 HB2 LEU 68 2HB LEU 68 -5.273 -8.113 7.385 520 HB3 LEU 68 1HB LEU 68 -6.284 -7.464 6.097 521 HG LEU 68 HG LEU 68 -3.850 -6.092 7.280 522 HD11 LEU 68 1HD1 LEU 68 -4.154 -7.070 4.449 523 HD12 LEU 68 2HD1 LEU 68 -3.638 -8.181 5.716 524 HD13 LEU 68 3HD1 LEU 68 -2.677 -6.749 5.360 525 HD21 LEU 68 1HD2 LEU 68 -4.290 -4.686 5.104 526 HD22 LEU 68 2HD2 LEU 68 -5.234 -4.344 6.553 527 HD23 LEU 68 3HD2 LEU 68 -5.934 -5.306 5.251 528 H GLU 69 HN GLU 69 -8.710 -5.816 9.022 529 HA GLU 69 HA GLU 69 -9.167 -8.295 10.393 530 HB2 GLU 69 2HB GLU 69 -11.029 -5.970 9.839 531 HB3 GLU 69 1HB GLU 69 -11.352 -7.295 10.957 532 HG2 GLU 69 2HG GLU 69 -8.827 -5.688 11.233 533 HG3 GLU 69 1HG GLU 69 -10.342 -5.065 11.886 534 H LYS 70 HN LYS 70 -10.136 -10.071 9.634 535 HA LYS 70 HA LYS 70 -10.804 -10.348 6.896 536 HB2 LYS 70 2HB LYS 70 -10.205 -12.107 8.824 537 HB3 LYS 70 1HB LYS 70 -11.964 -12.244 8.874 538 HG2 LYS 70 2HG LYS 70 -11.987 -12.654 6.429 539 HG3 LYS 70 1HG LYS 70 -10.224 -12.567 6.409 540 HD2 LYS 70 2HD LYS 70 -10.068 -14.714 7.063 541 HD3 LYS 70 1HD LYS 70 -11.077 -14.389 8.474 542 HE2 LYS 70 2HE LYS 70 -12.106 -16.108 7.032 543 HE3 LYS 70 1HE LYS 70 -13.103 -14.655 7.090 544 HZ1 LYS 70 1HZ LYS 70 -11.816 -15.865 4.860 545 HZ2 LYS 70 2HZ LYS 70 -11.345 -14.241 5.026 546 HZ3 LYS 70 3HZ LYS 70 -12.989 -14.641 4.889 547 H THR 71 HN THR 71 -12.712 -10.250 5.816 548 HA THR 71 HA THR 71 -15.058 -9.301 7.340 549 HB THR 71 HB THR 71 -15.843 -8.338 5.235 550 HG1 THR 71 1HG THR 71 -14.872 -9.908 3.873 551 HG21 THR 71 1HG2 THR 71 -13.235 -7.665 6.413 552 HG22 THR 71 2HG2 THR 71 -14.641 -6.642 6.142 553 HG23 THR 71 3HG2 THR 71 -13.523 -6.977 4.820 554 H ASP 72 HN ASP 72 -17.143 -9.827 5.956 555 HA ASP 72 HA ASP 72 -17.495 -12.642 6.099 556 HB2 ASP 72 2HB ASP 72 -19.721 -12.143 5.062 557 HB3 ASP 72 1HB ASP 72 -19.378 -11.188 6.502 558 H GLU 73 HN GLU 73 -15.928 -10.795 3.842 559 HA GLU 73 HA GLU 73 -16.498 -12.744 1.688 560 HB2 GLU 73 2HB GLU 73 -15.408 -10.020 1.106 561 HB3 GLU 73 1HB GLU 73 -16.368 -11.084 0.077 562 HG2 GLU 73 2HG GLU 73 -18.162 -10.728 2.021 563 HG3 GLU 73 1HG GLU 73 -17.256 -9.232 2.245 564 HA PRO 74 HA PRO 74 -12.120 -13.608 2.200 565 HB2 PRO 74 2HB PRO 74 -11.725 -15.219 0.044 566 HB3 PRO 74 1HB PRO 74 -12.589 -15.761 1.495 567 HG2 PRO 74 2HG PRO 74 -13.673 -14.852 -1.125 568 HG3 PRO 74 1HG PRO 74 -14.212 -16.175 -0.077 569 HD2 PRO 74 2HD PRO 74 -15.459 -13.730 -0.170 570 HD3 PRO 74 1HD PRO 74 -15.475 -14.787 1.259 571 H GLY 75 HN GLY 75 -10.442 -12.319 1.682 572 HA2 GLY 75 2HA GLY 75 -8.872 -11.392 0.139 573 HA3 GLY 75 1HA GLY 75 -10.126 -11.434 -1.098 574 H LYS 76 HN LYS 76 -11.550 -10.319 1.642 575 HA LYS 76 HA LYS 76 -11.007 -7.490 0.966 576 HB2 LYS 76 2HB LYS 76 -13.236 -8.321 0.163 577 HB3 LYS 76 1HB LYS 76 -13.656 -8.655 1.842 578 HG2 LYS 76 2HG LYS 76 -13.123 -6.208 2.333 579 HG3 LYS 76 1HG LYS 76 -13.058 -5.969 0.590 580 HD2 LYS 76 2HD LYS 76 -15.354 -6.718 0.346 581 HD3 LYS 76 1HD LYS 76 -15.434 -7.140 2.059 582 HE2 LYS 76 2HE LYS 76 -15.859 -5.007 2.658 583 HE3 LYS 76 1HE LYS 76 -14.546 -4.396 1.653 584 HZ1 LYS 76 1HZ LYS 76 -16.671 -3.569 0.884 585 HZ2 LYS 76 2HZ LYS 76 -17.257 -5.153 0.706 586 HZ3 LYS 76 3HZ LYS 76 -15.992 -4.597 -0.280 587 H TYR 77 HN TYR 77 -9.886 -6.657 2.650 588 HA TYR 77 HA TYR 77 -10.755 -7.429 5.358 589 HB2 TYR 77 2HB TYR 77 -8.051 -6.436 4.476 590 HB3 TYR 77 1HB TYR 77 -8.508 -6.833 6.129 591 HD1 TYR 77 1HD TYR 77 -7.925 -8.205 2.738 592 HD2 TYR 77 2HD TYR 77 -8.670 -9.119 6.864 593 HE1 TYR 77 1HE TYR 77 -7.342 -10.578 2.319 594 HE2 TYR 77 2HE TYR 77 -8.089 -11.491 6.447 595 HH TYR 77 HH TYR 77 -8.065 -12.902 3.608 596 H THR 78 HN THR 78 -10.605 -5.804 7.020 597 HA THR 78 HA THR 78 -10.801 -3.049 6.014 598 HB THR 78 HB THR 78 -12.664 -2.921 7.931 599 HG1 THR 78 1HG THR 78 -13.413 -4.802 8.404 600 HG21 THR 78 1HG2 THR 78 -14.316 -3.468 5.981 601 HG22 THR 78 2HG2 THR 78 -12.846 -3.618 5.016 602 HG23 THR 78 3HG2 THR 78 -13.222 -2.093 5.826 603 H ALA 79 HN ALA 79 -10.525 -1.394 7.652 604 HA ALA 79 HA ALA 79 -8.778 -2.362 9.832 605 HB1 ALA 79 1HB ALA 79 -7.630 -0.313 9.721 606 HB2 ALA 79 2HB ALA 79 -8.950 0.483 8.864 607 HB3 ALA 79 3HB ALA 79 -7.948 -0.705 8.031 608 H ASP 80 HN ASP 80 -8.784 -0.816 11.737 609 HA ASP 80 HA ASP 80 -11.343 -0.863 12.948 610 HB2 ASP 80 2HB ASP 80 -9.080 0.861 13.909 611 HB3 ASP 80 1HB ASP 80 -10.305 0.018 14.857 612 H GLY 81 HN GLY 81 -11.467 0.620 10.517 613 HA2 GLY 81 2HA GLY 81 -12.598 3.105 11.546 614 HA3 GLY 81 1HA GLY 81 -11.393 3.225 10.263 615 H GLY 82 HN GLY 82 -12.730 0.360 9.675 616 HA2 GLY 82 2HA GLY 82 -14.132 -0.421 8.030 617 HA3 GLY 82 1HA GLY 82 -15.301 0.671 8.757 618 H LYS 83 HN LYS 83 -12.851 2.658 7.748 619 HA LYS 83 HA LYS 83 -14.259 3.224 5.234 620 HB2 LYS 83 2HB LYS 83 -12.248 4.967 6.670 621 HB3 LYS 83 1HB LYS 83 -13.375 5.441 5.399 622 HG2 LYS 83 2HG LYS 83 -14.950 4.276 7.437 623 HG3 LYS 83 1HG LYS 83 -13.806 5.340 8.256 624 HD2 LYS 83 2HD LYS 83 -15.588 6.130 5.931 625 HD3 LYS 83 1HD LYS 83 -15.851 6.568 7.618 626 HE2 LYS 83 2HE LYS 83 -14.627 8.418 7.164 627 HE3 LYS 83 1HE LYS 83 -13.228 7.343 7.184 628 HZ1 LYS 83 1HZ LYS 83 -14.730 7.389 4.707 629 HZ2 LYS 83 2HZ LYS 83 -13.050 7.387 4.962 630 HZ3 LYS 83 3HZ LYS 83 -13.931 8.835 5.087 631 H HIS 84 HN HIS 84 -11.577 1.705 6.462 632 HA HIS 84 HA HIS 84 -10.084 2.005 3.946 633 HB2 HIS 84 2HB HIS 84 -9.177 1.790 6.792 634 HB3 HIS 84 1HB HIS 84 -8.171 1.079 5.530 635 HD1 HIS 84 1HD HIS 84 -8.974 3.324 3.374 636 HD2 HIS 84 2HD HIS 84 -7.432 4.007 7.185 637 HE1 HIS 84 1HE HIS 84 -7.897 5.619 3.310 638 H VAL 85 HN VAL 85 -10.293 0.285 2.721 639 HA VAL 85 HA VAL 85 -11.100 -2.233 3.935 640 HB VAL 85 HB VAL 85 -10.664 -1.833 0.997 641 HG11 VAL 85 1HG1 VAL 85 -12.727 -3.332 2.645 642 HG12 VAL 85 2HG1 VAL 85 -11.302 -4.066 1.913 643 HG13 VAL 85 3HG1 VAL 85 -12.569 -3.388 0.890 644 HG21 VAL 85 1HG2 VAL 85 -13.222 -1.138 1.196 645 HG22 VAL 85 2HG2 VAL 85 -11.945 0.072 1.327 646 HG23 VAL 85 3HG2 VAL 85 -12.706 -0.568 2.784 647 H ALA 86 HN ALA 86 -9.782 -3.338 1.374 648 HA ALA 86 HA ALA 86 -7.251 -3.316 0.998 649 HB1 ALA 86 1HB ALA 86 -7.482 -4.330 3.785 650 HB2 ALA 86 2HB ALA 86 -6.326 -3.190 3.094 651 HB3 ALA 86 3HB ALA 86 -6.182 -4.910 2.743 652 H TYR 87 HN TYR 87 -6.518 -4.892 -0.232 653 HA TYR 87 HA TYR 87 -7.828 -7.529 -0.075 654 HB2 TYR 87 2HB TYR 87 -7.300 -5.932 -2.588 655 HB3 TYR 87 1HB TYR 87 -7.795 -7.618 -2.562 656 HD1 TYR 87 1HD TYR 87 -8.819 -4.282 -1.195 657 HD2 TYR 87 2HD TYR 87 -10.061 -8.147 -2.598 658 HE1 TYR 87 1HE TYR 87 -11.191 -3.579 -1.021 659 HE2 TYR 87 2HE TYR 87 -12.436 -7.443 -2.425 660 HH TYR 87 HH TYR 87 -13.680 -5.141 -2.488 661 H ILE 88 HN ILE 88 -6.431 -9.150 -0.062 662 HA ILE 88 HA ILE 88 -3.601 -8.561 -0.710 663 HB ILE 88 HB ILE 88 -4.463 -10.911 0.945 664 HG12 ILE 88 2HG1 ILE 88 -4.164 -8.035 1.857 665 HG13 ILE 88 1HG1 ILE 88 -5.585 -9.063 2.028 666 HG21 ILE 88 1HG2 ILE 88 -2.043 -10.145 0.012 667 HG22 ILE 88 2HG2 ILE 88 -2.249 -10.986 1.547 668 HG23 ILE 88 3HG2 ILE 88 -2.075 -9.229 1.522 669 HD11 ILE 88 1HD1 ILE 88 -4.725 -9.462 4.105 670 HD12 ILE 88 2HD1 ILE 88 -3.089 -9.011 3.620 671 HD13 ILE 88 3HD1 ILE 88 -3.711 -10.617 3.241 672 H ILE 89 HN ILE 89 -2.972 -9.375 -2.603 673 HA ILE 89 HA ILE 89 -4.165 -11.921 -3.496 674 HB ILE 89 HB ILE 89 -2.850 -10.386 -5.587 675 HG12 ILE 89 2HG1 ILE 89 -3.680 -8.473 -4.181 676 HG13 ILE 89 1HG1 ILE 89 -4.439 -8.561 -5.766 677 HG21 ILE 89 1HG2 ILE 89 -5.096 -10.744 -6.680 678 HG22 ILE 89 2HG2 ILE 89 -5.633 -11.527 -5.199 679 HG23 ILE 89 3HG2 ILE 89 -4.306 -12.220 -6.131 680 HD11 ILE 89 1HD1 ILE 89 -5.777 -8.430 -3.355 681 HD12 ILE 89 2HD1 ILE 89 -5.845 -10.142 -3.759 682 HD13 ILE 89 3HD1 ILE 89 -6.474 -8.949 -4.889 683 H ARG 90 HN ARG 90 -2.804 -13.356 -4.639 684 HA ARG 90 HA ARG 90 0.012 -13.196 -3.802 685 HB2 ARG 90 2HB ARG 90 -0.085 -15.667 -4.663 686 HB3 ARG 90 1HB ARG 90 -0.808 -15.267 -3.104 687 HG2 ARG 90 2HG ARG 90 -2.993 -15.347 -3.946 688 HG3 ARG 90 1HG ARG 90 -2.461 -15.115 -5.612 689 HD2 ARG 90 2HD ARG 90 -1.439 -17.355 -5.605 690 HD3 ARG 90 1HD ARG 90 -1.949 -17.589 -3.935 691 HE ARG 90 HE ARG 90 -4.134 -17.944 -4.692 692 HH11 ARG 90 1HH1 ARG 90 -5.627 -18.353 -6.355 693 HH12 ARG 90 2HH1 ARG 90 -5.217 -17.969 -7.994 694 HH21 ARG 90 1HH2 ARG 90 -2.067 -16.756 -7.200 695 HH22 ARG 90 2HH2 ARG 90 -3.200 -17.066 -8.472 696 H SER 91 HN SER 91 1.064 -12.022 -5.339 697 HA SER 91 HA SER 91 0.590 -11.639 -7.968 698 HB2 SER 91 2HB SER 91 2.561 -10.599 -7.813 699 HB3 SER 91 1HB SER 91 2.826 -11.369 -6.253 700 HG SER 91 HG SER 91 4.448 -11.826 -7.873 701 H HIS 92 HN HIS 92 1.714 -12.534 -9.889 702 HA HIS 92 HA HIS 92 1.157 -15.349 -10.090 703 HB2 HIS 92 2HB HIS 92 2.361 -13.369 -12.039 704 HB3 HIS 92 1HB HIS 92 1.999 -15.050 -12.437 705 HD1 HIS 92 1HD HIS 92 -0.375 -13.471 -10.098 706 HD2 HIS 92 2HD HIS 92 -0.053 -13.950 -14.228 707 HE1 HIS 92 1HE HIS 92 -2.654 -12.932 -11.063 708 H VAL 93 HN VAL 93 3.761 -13.618 -8.931 709 HA VAL 93 HA VAL 93 5.689 -15.739 -9.663 710 HB VAL 93 HB VAL 93 6.220 -12.915 -8.710 711 HG11 VAL 93 1HG1 VAL 93 8.540 -13.594 -9.695 712 HG12 VAL 93 2HG1 VAL 93 7.968 -15.246 -9.471 713 HG13 VAL 93 3HG1 VAL 93 8.106 -14.167 -8.084 714 HG21 VAL 93 1HG2 VAL 93 6.894 -12.491 -11.028 715 HG22 VAL 93 2HG2 VAL 93 5.222 -13.049 -10.990 716 HG23 VAL 93 3HG2 VAL 93 6.511 -14.155 -11.464 717 H LYS 94 HN LYS 94 7.249 -16.343 -8.001 718 HA LYS 94 HA LYS 94 5.952 -16.841 -5.478 719 HB2 LYS 94 2HB LYS 94 7.710 -18.278 -6.871 720 HB3 LYS 94 1HB LYS 94 8.856 -17.394 -5.864 721 HG2 LYS 94 2HG LYS 94 8.406 -19.223 -4.502 722 HG3 LYS 94 1HG LYS 94 7.198 -18.076 -3.921 723 HD2 LYS 94 2HD LYS 94 5.753 -19.155 -5.884 724 HD3 LYS 94 1HD LYS 94 6.835 -20.520 -5.602 725 HE2 LYS 94 2HE LYS 94 5.013 -19.173 -3.595 726 HE3 LYS 94 1HE LYS 94 4.939 -20.841 -4.163 727 HZ1 LYS 94 1HZ LYS 94 6.102 -21.206 -2.288 728 HZ2 LYS 94 2HZ LYS 94 6.708 -19.621 -2.207 729 HZ3 LYS 94 3HZ LYS 94 7.425 -20.755 -3.249 730 H ASP 95 HN ASP 95 6.711 -16.211 -3.415 731 HA ASP 95 HA ASP 95 7.475 -14.695 -1.846 732 HB2 ASP 95 2HB ASP 95 9.630 -14.023 -3.853 733 HB3 ASP 95 1HB ASP 95 9.679 -13.793 -2.108 734 H HIS 96 HN HIS 96 5.605 -13.907 -4.063 735 HA HIS 96 HA HIS 96 5.940 -11.008 -3.711 736 HB2 HIS 96 2HB HIS 96 5.353 -12.442 -6.295 737 HB3 HIS 96 1HB HIS 96 5.052 -10.721 -6.060 738 HD1 HIS 96 1HD HIS 96 7.774 -13.213 -6.508 739 HD2 HIS 96 2HD HIS 96 7.423 -9.129 -5.766 740 HE1 HIS 96 1HE HIS 96 10.069 -12.216 -6.880 741 H TYR 97 HN TYR 97 4.147 -9.899 -3.254 742 HA TYR 97 HA TYR 97 1.534 -11.164 -3.657 743 HB2 TYR 97 2HB TYR 97 2.779 -10.503 -1.050 744 HB3 TYR 97 1HB TYR 97 1.082 -10.058 -1.249 745 HD1 TYR 97 1HD TYR 97 3.480 -12.877 -1.640 746 HD2 TYR 97 2HD TYR 97 -0.616 -11.699 -1.132 747 HE1 TYR 97 1HE TYR 97 2.836 -15.254 -1.328 748 HE2 TYR 97 2HE TYR 97 -1.267 -14.069 -0.824 749 HH TYR 97 HH TYR 97 -0.558 -16.166 -0.694 750 H ILE 98 HN ILE 98 -0.049 -9.759 -4.211 751 HA ILE 98 HA ILE 98 0.733 -6.966 -4.582 752 HB ILE 98 HB ILE 98 -1.800 -8.317 -5.517 753 HG12 ILE 98 2HG1 ILE 98 -0.012 -9.660 -6.400 754 HG13 ILE 98 1HG1 ILE 98 -0.555 -8.611 -7.705 755 HG21 ILE 98 1HG2 ILE 98 -0.408 -6.142 -7.003 756 HG22 ILE 98 2HG2 ILE 98 -1.216 -5.706 -5.495 757 HG23 ILE 98 3HG2 ILE 98 -2.134 -6.447 -6.804 758 HD11 ILE 98 1HD1 ILE 98 1.786 -8.393 -7.790 759 HD12 ILE 98 2HD1 ILE 98 1.936 -8.416 -6.034 760 HD13 ILE 98 3HD1 ILE 98 1.300 -6.984 -6.846 761 H PHE 99 HN PHE 99 -0.096 -5.377 -3.319 762 HA PHE 99 HA PHE 99 -2.293 -6.138 -1.514 763 HB2 PHE 99 2HB PHE 99 -0.118 -5.860 -0.362 764 HB3 PHE 99 1HB PHE 99 0.004 -4.232 -1.020 765 HD1 PHE 99 1HD PHE 99 -1.424 -6.319 1.548 766 HD2 PHE 99 2HD PHE 99 -1.760 -2.527 -0.434 767 HE1 PHE 99 1HE PHE 99 -2.803 -5.466 3.422 768 HE2 PHE 99 2HE PHE 99 -3.136 -1.666 1.447 769 HZ PHE 99 HZ PHE 99 -3.660 -3.136 3.375 770 H TYR 100 HN TYR 100 -4.056 -4.874 -1.611 771 HA TYR 100 HA TYR 100 -3.816 -2.221 -2.919 772 HB2 TYR 100 2HB TYR 100 -4.756 -3.563 -4.632 773 HB3 TYR 100 1HB TYR 100 -5.767 -4.449 -3.498 774 HD1 TYR 100 1HD TYR 100 -5.159 -0.931 -4.640 775 HD2 TYR 100 2HD TYR 100 -8.020 -3.847 -3.338 776 HE1 TYR 100 1HE TYR 100 -6.986 0.694 -5.021 777 HE2 TYR 100 2HE TYR 100 -9.851 -2.223 -3.718 778 HH TYR 100 HH TYR 100 -10.004 0.005 -5.421 779 H SER 101 HN SER 101 -5.400 -0.693 -2.215 780 HA SER 101 HA SER 101 -7.204 -1.396 -0.091 781 HB2 SER 101 2HB SER 101 -6.032 0.369 1.440 782 HB3 SER 101 1HB SER 101 -5.445 -1.291 1.416 783 HG SER 101 HG SER 101 -4.408 0.395 -0.518 784 H GLU 102 HN GLU 102 -8.652 0.229 0.450 785 HA GLU 102 HA GLU 102 -8.376 2.783 -0.952 786 HB2 GLU 102 2HB GLU 102 -10.954 2.250 -1.585 787 HB3 GLU 102 1HB GLU 102 -9.600 1.955 -2.675 788 HG2 GLU 102 2HG GLU 102 -9.453 -0.356 -1.962 789 HG3 GLU 102 1HG GLU 102 -10.675 -0.092 -0.720 790 H GLY 103 HN GLY 103 -10.159 4.243 -0.432 791 HA2 GLY 103 2HA GLY 103 -12.011 3.914 1.619 792 HA3 GLY 103 1HA GLY 103 -10.524 4.482 2.375 793 H GLU 104 HN GLU 104 -10.905 6.578 2.864 794 HA GLU 104 HA GLU 104 -11.546 8.406 0.646 795 HB2 GLU 104 2HB GLU 104 -13.473 7.662 2.468 796 HB3 GLU 104 1HB GLU 104 -12.838 9.149 3.171 797 HG2 GLU 104 2HG GLU 104 -14.554 9.885 1.723 798 HG3 GLU 104 1HG GLU 104 -13.075 10.152 0.801 799 H LEU 105 HN LEU 105 -10.445 10.326 0.729 800 HA LEU 105 HA LEU 105 -8.844 10.871 3.160 801 HB2 LEU 105 2HB LEU 105 -7.504 10.227 1.105 802 HB3 LEU 105 1HB LEU 105 -8.111 11.689 0.338 803 HG LEU 105 HG LEU 105 -7.211 12.833 2.561 804 HD11 LEU 105 1HD1 LEU 105 -6.581 10.724 3.661 805 HD12 LEU 105 2HD1 LEU 105 -5.155 11.710 3.356 806 HD13 LEU 105 3HD1 LEU 105 -5.510 10.333 2.316 807 HD21 LEU 105 1HD2 LEU 105 -4.838 12.747 1.326 808 HD22 LEU 105 2HD2 LEU 105 -6.204 13.629 0.638 809 HD23 LEU 105 3HD2 LEU 105 -5.811 12.013 0.049 810 H HIS 106 HN HIS 106 -10.242 12.273 4.143 811 HA HIS 106 HA HIS 106 -11.267 14.272 4.576 812 HB2 HIS 106 2HB HIS 106 -9.774 15.442 2.239 813 HB3 HIS 106 1HB HIS 106 -10.265 16.235 3.736 814 HD1 HIS 106 1HD HIS 106 -9.248 13.786 5.568 815 HD2 HIS 106 2HD HIS 106 -6.998 15.861 2.738 816 HE1 HIS 106 1HE HIS 106 -6.819 13.470 6.211 817 H GLY 107 HN GLY 107 -12.558 12.407 2.885 818 HA2 GLY 107 2HA GLY 107 -14.652 12.464 1.857 819 HA3 GLY 107 1HA GLY 107 -14.473 14.201 1.635 820 H LYS 108 HN LYS 108 -11.815 12.217 0.650 821 HA LYS 108 HA LYS 108 -12.687 12.420 -2.170 822 HB2 LYS 108 2HB LYS 108 -9.917 12.897 -1.060 823 HB3 LYS 108 1HB LYS 108 -10.332 12.848 -2.773 824 HG2 LYS 108 2HG LYS 108 -11.591 14.822 -2.661 825 HG3 LYS 108 1HG LYS 108 -11.812 14.696 -0.915 826 HD2 LYS 108 2HD LYS 108 -10.173 16.466 -1.525 827 HD3 LYS 108 1HD LYS 108 -9.442 15.192 -0.551 828 HE2 LYS 108 2HE LYS 108 -9.375 14.860 -3.516 829 HE3 LYS 108 1HE LYS 108 -8.298 16.063 -2.807 830 HZ1 LYS 108 1HZ LYS 108 -6.962 14.444 -2.158 831 HZ2 LYS 108 2HZ LYS 108 -7.987 13.287 -2.862 832 HZ3 LYS 108 3HZ LYS 108 -8.203 13.743 -1.239 833 HA PRO 109 HA PRO 109 -12.178 7.904 -1.687 834 HB2 PRO 109 2HB PRO 109 -12.001 8.130 -4.664 835 HB3 PRO 109 1HB PRO 109 -12.954 7.011 -3.672 836 HG2 PRO 109 2HG PRO 109 -14.062 9.114 -4.886 837 HG3 PRO 109 1HG PRO 109 -14.619 8.536 -3.307 838 HD2 PRO 109 2HD PRO 109 -13.082 10.986 -3.969 839 HD3 PRO 109 1HD PRO 109 -14.144 10.656 -2.582 840 H VAL 110 HN VAL 110 -10.364 6.728 -1.424 841 HA VAL 110 HA VAL 110 -7.924 7.534 -2.870 842 HB VAL 110 HB VAL 110 -6.779 7.689 -0.934 843 HG11 VAL 110 1HG1 VAL 110 -8.804 8.864 -0.257 844 HG12 VAL 110 2HG1 VAL 110 -8.097 8.016 1.121 845 HG13 VAL 110 3HG1 VAL 110 -9.503 7.354 0.311 846 HG21 VAL 110 1HG2 VAL 110 -6.562 5.269 -0.683 847 HG22 VAL 110 2HG2 VAL 110 -8.203 5.158 -0.036 848 HG23 VAL 110 3HG2 VAL 110 -6.943 5.969 0.887 849 H ARG 111 HN ARG 111 -6.567 5.871 -3.543 850 HA ARG 111 HA ARG 111 -7.197 3.122 -2.992 851 HB2 ARG 111 2HB ARG 111 -7.416 2.889 -5.689 852 HB3 ARG 111 1HB ARG 111 -8.802 3.009 -4.604 853 HG2 ARG 111 2HG ARG 111 -9.113 5.299 -5.057 854 HG3 ARG 111 1HG ARG 111 -7.476 5.488 -5.689 855 HD2 ARG 111 2HD ARG 111 -8.007 4.550 -7.737 856 HD3 ARG 111 1HD ARG 111 -9.316 3.576 -7.070 857 HE ARG 111 HE ARG 111 -9.557 6.207 -8.156 858 HH11 ARG 111 1HH1 ARG 111 -11.587 7.212 -7.986 859 HH12 ARG 111 2HH1 ARG 111 -12.747 6.622 -6.844 860 HH21 ARG 111 1HH2 ARG 111 -10.689 4.093 -5.661 861 HH22 ARG 111 2HH2 ARG 111 -12.239 4.857 -5.527 862 H GLY 112 HN GLY 112 -5.238 2.014 -3.092 863 HA2 GLY 112 2HA GLY 112 -3.300 2.769 -5.158 864 HA3 GLY 112 1HA GLY 112 -2.787 2.964 -3.491 865 H VAL 113 HN VAL 113 -1.617 1.263 -5.461 866 HA VAL 113 HA VAL 113 -2.123 -1.391 -4.277 867 HB VAL 113 HB VAL 113 -0.776 -1.061 -6.932 868 HG11 VAL 113 1HG1 VAL 113 -1.443 -3.288 -7.266 869 HG12 VAL 113 2HG1 VAL 113 -2.751 -3.158 -6.082 870 HG13 VAL 113 3HG1 VAL 113 -1.077 -3.233 -5.534 871 HG21 VAL 113 1HG2 VAL 113 -3.329 -1.568 -7.680 872 HG22 VAL 113 2HG2 VAL 113 -2.621 0.048 -7.678 873 HG23 VAL 113 3HG2 VAL 113 -3.617 -0.482 -6.322 874 H LYS 114 HN LYS 114 -0.350 -2.601 -3.649 875 HA LYS 114 HA LYS 114 2.302 -1.366 -3.995 876 HB2 LYS 114 2HB LYS 114 1.662 -2.652 -1.367 877 HB3 LYS 114 1HB LYS 114 2.900 -1.467 -1.762 878 HG2 LYS 114 2HG LYS 114 -0.035 -0.741 -1.909 879 HG3 LYS 114 1HG LYS 114 0.854 -0.659 -0.393 880 HD2 LYS 114 2HD LYS 114 2.364 0.965 -1.226 881 HD3 LYS 114 1HD LYS 114 1.887 0.667 -2.895 882 HE2 LYS 114 2HE LYS 114 -0.384 1.444 -1.227 883 HE3 LYS 114 1HE LYS 114 0.880 2.671 -1.251 884 HZ1 LYS 114 1HZ LYS 114 -0.967 2.036 -3.263 885 HZ2 LYS 114 2HZ LYS 114 0.592 1.700 -3.847 886 HZ3 LYS 114 3HZ LYS 114 0.217 3.250 -3.262 887 H LEU 115 HN LEU 115 3.881 -2.761 -4.487 888 HA LEU 115 HA LEU 115 3.193 -5.616 -4.628 889 HB2 LEU 115 2HB LEU 115 3.928 -4.768 -6.750 890 HB3 LEU 115 1HB LEU 115 5.282 -3.923 -6.023 891 HG LEU 115 HG LEU 115 6.353 -6.066 -5.472 892 HD11 LEU 115 1HD1 LEU 115 3.788 -7.187 -6.586 893 HD12 LEU 115 2HD1 LEU 115 4.508 -7.502 -5.008 894 HD13 LEU 115 3HD1 LEU 115 5.254 -8.155 -6.465 895 HD21 LEU 115 1HD2 LEU 115 6.486 -6.998 -7.889 896 HD22 LEU 115 2HD2 LEU 115 6.980 -5.322 -7.624 897 HD23 LEU 115 3HD2 LEU 115 5.391 -5.677 -8.298 898 H VAL 116 HN VAL 116 3.955 -6.839 -3.044 899 HA VAL 116 HA VAL 116 6.468 -6.009 -1.765 900 HB VAL 116 HB VAL 116 5.711 -6.645 0.315 901 HG11 VAL 116 1HG1 VAL 116 3.797 -5.386 0.643 902 HG12 VAL 116 2HG1 VAL 116 2.961 -6.106 -0.732 903 HG13 VAL 116 3HG1 VAL 116 4.194 -4.870 -0.994 904 HG21 VAL 116 1HG2 VAL 116 3.818 -8.433 -1.204 905 HG22 VAL 116 2HG2 VAL 116 3.588 -8.095 0.513 906 HG23 VAL 116 3HG2 VAL 116 5.061 -8.891 -0.040 907 H GLY 117 HN GLY 117 8.092 -7.476 -1.638 908 HA2 GLY 117 2HA GLY 117 8.206 -10.146 -1.591 909 HA3 GLY 117 1HA GLY 117 7.749 -9.838 -3.263 910 H ARG 118 HN ARG 118 10.278 -9.760 -0.979 911 HA ARG 118 HA ARG 118 12.065 -8.156 -2.585 912 HB2 ARG 118 2HB ARG 118 12.726 -8.060 -0.378 913 HB3 ARG 118 1HB ARG 118 12.325 -9.747 -0.066 914 HG2 ARG 118 2HG ARG 118 14.307 -10.523 -1.109 915 HG3 ARG 118 1HG ARG 118 14.578 -8.985 -1.929 916 HD2 ARG 118 2HD ARG 118 14.458 -8.840 1.024 917 HD3 ARG 118 1HD ARG 118 15.842 -9.710 0.366 918 HE ARG 118 HE ARG 118 15.380 -6.873 0.225 919 HH11 ARG 118 1HH1 ARG 118 16.954 -5.657 -0.870 920 HH12 ARG 118 2HH1 ARG 118 18.090 -6.453 -1.907 921 HH21 ARG 118 1HH2 ARG 118 16.801 -9.619 -1.332 922 HH22 ARG 118 2HH2 ARG 118 18.003 -8.695 -2.168 923 H ASP 119 HN ASP 119 11.341 -11.523 -2.146 924 HA ASP 119 HA ASP 119 12.125 -13.439 -3.186 925 HB2 ASP 119 2HB ASP 119 11.424 -13.282 -5.317 926 HB3 ASP 119 1HB ASP 119 11.138 -11.586 -4.950 927 HA PRO 120 HA PRO 120 16.522 -13.624 -3.189 928 HB2 PRO 120 2HB PRO 120 17.127 -15.390 -5.224 929 HB3 PRO 120 1HB PRO 120 16.548 -15.865 -3.618 930 HG2 PRO 120 2HG PRO 120 15.079 -15.683 -6.183 931 HG3 PRO 120 1HG PRO 120 14.873 -16.813 -4.836 932 HD2 PRO 120 2HD PRO 120 13.199 -14.695 -5.302 933 HD3 PRO 120 1HD PRO 120 13.451 -15.403 -3.696 934 H LYS 121 HN LYS 121 14.913 -12.451 -5.924 935 HA LYS 121 HA LYS 121 16.948 -10.606 -6.622 936 HB2 LYS 121 2HB LYS 121 17.875 -12.788 -7.598 937 HB3 LYS 121 1HB LYS 121 16.528 -12.728 -8.729 938 HG2 LYS 121 2HG LYS 121 17.951 -11.485 -9.999 939 HG3 LYS 121 1HG LYS 121 17.455 -10.174 -8.932 940 HD2 LYS 121 2HD LYS 121 19.772 -10.029 -8.777 941 HD3 LYS 121 1HD LYS 121 19.411 -11.071 -7.403 942 HE2 LYS 121 2HE LYS 121 21.255 -12.030 -8.693 943 HE3 LYS 121 1HE LYS 121 19.833 -13.061 -8.848 944 HZ1 LYS 121 1HZ LYS 121 21.258 -12.120 -10.914 945 HZ2 LYS 121 2HZ LYS 121 20.021 -10.958 -10.818 946 HZ3 LYS 121 3HZ LYS 121 19.635 -12.601 -11.014 947 H ASN 122 HN ASN 122 15.753 -8.906 -7.195 948 HA ASN 122 HA ASN 122 13.220 -8.425 -7.550 949 HB2 ASN 122 2HB ASN 122 15.265 -7.488 -9.573 950 HB3 ASN 122 1HB ASN 122 13.685 -6.753 -9.304 951 HD21 ASN 122 1HD2 ASN 122 13.370 -5.510 -7.339 952 HD22 ASN 122 2HD2 ASN 122 14.671 -5.078 -6.338 953 H ASN 123 HN ASN 123 11.469 -8.841 -8.844 954 HA ASN 123 HA ASN 123 11.963 -10.632 -11.154 955 HB2 ASN 123 2HB ASN 123 10.098 -10.804 -8.888 956 HB3 ASN 123 1HB ASN 123 9.375 -11.116 -10.465 957 HD21 ASN 123 1HD2 ASN 123 11.352 -12.442 -11.856 958 HD22 ASN 123 2HD2 ASN 123 11.797 -13.868 -11.050 959 H LEU 124 HN LEU 124 11.876 -9.271 -12.851 960 HA LEU 124 HA LEU 124 10.215 -7.026 -13.115 961 HB2 LEU 124 2HB LEU 124 10.682 -7.218 -15.541 962 HB3 LEU 124 1HB LEU 124 12.149 -7.390 -14.577 963 HG LEU 124 HG LEU 124 11.154 -9.989 -14.748 964 HD11 LEU 124 1HD1 LEU 124 9.587 -9.214 -16.511 965 HD12 LEU 124 2HD1 LEU 124 10.779 -10.346 -17.148 966 HD13 LEU 124 3HD1 LEU 124 10.956 -8.617 -17.448 967 HD21 LEU 124 1HD2 LEU 124 13.113 -10.340 -16.223 968 HD22 LEU 124 2HD2 LEU 124 13.517 -9.289 -14.864 969 HD23 LEU 124 3HD2 LEU 124 13.238 -8.597 -16.462 970 H GLU 125 HN GLU 125 9.624 -10.404 -13.381 971 HA GLU 125 HA GLU 125 7.241 -10.222 -14.967 972 HB2 GLU 125 2HB GLU 125 8.453 -12.379 -13.245 973 HB3 GLU 125 1HB GLU 125 6.867 -12.575 -13.989 974 HG2 GLU 125 2HG GLU 125 7.761 -12.388 -16.188 975 HG3 GLU 125 1HG GLU 125 9.302 -11.778 -15.590 976 H ALA 126 HN ALA 126 8.039 -10.187 -11.548 977 HA ALA 126 HA ALA 126 5.336 -10.338 -10.633 978 HB1 ALA 126 1HB ALA 126 7.403 -10.838 -9.237 979 HB2 ALA 126 2HB ALA 126 6.210 -9.790 -8.471 980 HB3 ALA 126 3HB ALA 126 7.675 -9.096 -9.168 981 H LEU 127 HN LEU 127 7.662 -7.735 -11.336 982 HA LEU 127 HA LEU 127 6.045 -5.596 -10.493 983 HB2 LEU 127 2HB LEU 127 8.472 -5.963 -12.031 984 HB3 LEU 127 1HB LEU 127 7.484 -4.676 -12.711 985 HG LEU 127 HG LEU 127 8.081 -4.823 -9.748 986 HD11 LEU 127 1HD1 LEU 127 9.921 -3.212 -10.186 987 HD12 LEU 127 2HD1 LEU 127 9.693 -3.451 -11.918 988 HD13 LEU 127 3HD1 LEU 127 10.233 -4.791 -10.908 989 HD21 LEU 127 1HD2 LEU 127 6.285 -3.303 -10.339 990 HD22 LEU 127 2HD2 LEU 127 7.226 -2.627 -11.667 991 HD23 LEU 127 3HD2 LEU 127 7.715 -2.330 -10.002 992 H GLU 128 HN GLU 128 6.164 -7.351 -13.541 993 HA GLU 128 HA GLU 128 4.366 -5.613 -14.928 994 HB2 GLU 128 2HB GLU 128 5.965 -7.468 -15.858 995 HB3 GLU 128 1HB GLU 128 4.609 -8.547 -15.533 996 HG2 GLU 128 2HG GLU 128 4.243 -7.858 -17.757 997 HG3 GLU 128 1HG GLU 128 3.184 -6.808 -16.818 998 H ASP 129 HN ASP 129 4.018 -8.584 -13.053 999 HA ASP 129 HA ASP 129 1.252 -8.947 -13.457 1000 HB2 ASP 129 2HB ASP 129 2.841 -10.622 -12.427 1001 HB3 ASP 129 1HB ASP 129 2.792 -9.657 -10.953 1002 H PHE 130 HN PHE 130 3.082 -7.144 -11.012 1003 HA PHE 130 HA PHE 130 0.812 -6.282 -9.543 1004 HB2 PHE 130 2HB PHE 130 2.842 -6.022 -8.418 1005 HB3 PHE 130 1HB PHE 130 3.656 -5.366 -9.839 1006 HD1 PHE 130 1HD PHE 130 1.490 -4.656 -7.003 1007 HD2 PHE 130 2HD PHE 130 3.255 -3.030 -10.557 1008 HE1 PHE 130 1HE PHE 130 0.972 -2.394 -6.221 1009 HE2 PHE 130 2HE PHE 130 2.720 -0.737 -9.773 1010 HZ PHE 130 HZ PHE 130 1.572 -0.412 -7.595 1011 H GLU 131 HN GLU 131 2.763 -4.863 -12.126 1012 HA GLU 131 HA GLU 131 1.342 -2.454 -12.412 1013 HB2 GLU 131 2HB GLU 131 3.593 -3.136 -13.473 1014 HB3 GLU 131 1HB GLU 131 2.621 -3.923 -14.717 1015 HG2 GLU 131 2HG GLU 131 2.717 -1.868 -15.707 1016 HG3 GLU 131 1HG GLU 131 1.385 -1.512 -14.608 1017 H LYS 132 HN LYS 132 0.462 -5.664 -12.994 1018 HA LYS 132 HA LYS 132 -1.519 -5.021 -15.036 1019 HB2 LYS 132 2HB LYS 132 -0.199 -7.350 -14.415 1020 HB3 LYS 132 1HB LYS 132 -1.729 -7.580 -13.573 1021 HG2 LYS 132 2HG LYS 132 -2.220 -8.436 -15.691 1022 HG3 LYS 132 1HG LYS 132 -2.792 -6.774 -15.838 1023 HD2 LYS 132 2HD LYS 132 -0.664 -6.122 -16.897 1024 HD3 LYS 132 1HD LYS 132 -0.063 -7.769 -16.715 1025 HE2 LYS 132 2HE LYS 132 -2.398 -6.850 -18.409 1026 HE3 LYS 132 1HE LYS 132 -0.881 -7.549 -18.972 1027 HZ1 LYS 132 1HZ LYS 132 -1.741 -9.424 -17.269 1028 HZ2 LYS 132 2HZ LYS 132 -2.043 -9.446 -18.940 1029 HZ3 LYS 132 3HZ LYS 132 -3.217 -8.847 -17.870 1030 H ALA 133 HN ALA 133 -1.232 -5.827 -11.623 1031 HA ALA 133 HA ALA 133 -3.977 -5.793 -11.001 1032 HB1 ALA 133 1HB ALA 133 -2.434 -6.700 -9.388 1033 HB2 ALA 133 2HB ALA 133 -3.194 -5.288 -8.653 1034 HB3 ALA 133 3HB ALA 133 -1.556 -5.172 -9.297 1035 H ALA 134 HN ALA 134 -1.537 -3.209 -10.861 1036 HA ALA 134 HA ALA 134 -3.269 -1.190 -9.972 1037 HB1 ALA 134 1HB ALA 134 -0.869 -0.818 -9.994 1038 HB2 ALA 134 2HB ALA 134 -1.616 0.353 -11.076 1039 HB3 ALA 134 3HB ALA 134 -0.810 -1.065 -11.738 1040 H GLY 135 HN GLY 135 -2.307 -2.271 -13.209 1041 HA2 GLY 135 2HA GLY 135 -3.882 -0.494 -14.664 1042 HA3 GLY 135 1HA GLY 135 -3.455 -2.116 -15.216 1043 H ALA 136 HN ALA 136 -4.667 -3.766 -13.534 1044 HA ALA 136 HA ALA 136 -7.326 -3.874 -14.348 1045 HB1 ALA 136 1HB ALA 136 -6.129 -5.839 -13.533 1046 HB2 ALA 136 2HB ALA 136 -7.593 -5.590 -12.582 1047 HB3 ALA 136 3HB ALA 136 -6.026 -5.129 -11.921 1048 H ARG 137 HN ARG 137 -5.848 -2.022 -11.843 1049 HA ARG 137 HA ARG 137 -8.489 -1.420 -10.665 1050 HB2 ARG 137 2HB ARG 137 -5.687 -1.123 -9.578 1051 HB3 ARG 137 1HB ARG 137 -7.115 -0.448 -8.789 1052 HG2 ARG 137 2HG ARG 137 -8.110 -2.773 -8.809 1053 HG3 ARG 137 1HG ARG 137 -6.550 -3.368 -9.374 1054 HD2 ARG 137 2HD ARG 137 -5.795 -3.409 -7.263 1055 HD3 ARG 137 1HD ARG 137 -6.076 -1.678 -7.122 1056 HE ARG 137 HE ARG 137 -7.862 -2.219 -5.762 1057 HH11 ARG 137 1HH1 ARG 137 -9.572 -3.526 -5.018 1058 HH12 ARG 137 2HH1 ARG 137 -9.874 -5.056 -5.770 1059 HH21 ARG 137 1HH2 ARG 137 -7.281 -4.748 -8.050 1060 HH22 ARG 137 2HH2 ARG 137 -8.577 -5.748 -7.486 1061 H GLY 138 HN GLY 138 -6.599 -0.375 -13.025 1062 HA2 GLY 138 2HA GLY 138 -6.468 1.601 -14.207 1063 HA3 GLY 138 1HA GLY 138 -7.760 2.204 -13.177 1064 H LEU 139 HN LEU 139 -4.701 1.050 -11.952 1065 HA LEU 139 HA LEU 139 -4.040 3.794 -11.110 1066 HB2 LEU 139 2HB LEU 139 -3.409 1.145 -9.809 1067 HB3 LEU 139 1HB LEU 139 -2.782 2.695 -9.255 1068 HG LEU 139 HG LEU 139 -5.747 2.246 -9.628 1069 HD11 LEU 139 1HD1 LEU 139 -5.900 1.647 -7.257 1070 HD12 LEU 139 2HD1 LEU 139 -4.144 1.728 -7.108 1071 HD13 LEU 139 3HD1 LEU 139 -4.890 0.489 -8.117 1072 HD21 LEU 139 1HD2 LEU 139 -4.018 4.204 -8.093 1073 HD22 LEU 139 2HD2 LEU 139 -5.719 3.973 -7.702 1074 HD23 LEU 139 3HD2 LEU 139 -5.257 4.547 -9.301 1075 H SER 140 HN SER 140 -3.339 1.883 -13.505 1076 HA SER 140 HA SER 140 -0.412 2.080 -13.309 1077 HB2 SER 140 2HB SER 140 -0.280 0.439 -15.001 1078 HB3 SER 140 1HB SER 140 -1.583 -0.097 -13.948 1079 HG SER 140 HG SER 140 -1.733 1.172 -16.470 1080 H THR 141 HN THR 141 -2.293 4.354 -13.851 1081 HA THR 141 HA THR 141 -1.064 5.216 -16.393 1082 HB THR 141 HB THR 141 -3.423 6.511 -16.530 1083 HG1 THR 141 1HG THR 141 -3.790 4.150 -15.057 1084 HG21 THR 141 1HG2 THR 141 -2.544 5.292 -18.383 1085 HG22 THR 141 2HG2 THR 141 -4.129 4.593 -18.054 1086 HG23 THR 141 3HG2 THR 141 -2.670 3.759 -17.521 1087 H GLU 142 HN GLU 142 -1.579 5.803 -13.148 1088 HA GLU 142 HA GLU 142 -1.306 8.725 -13.463 1089 HB2 GLU 142 2HB GLU 142 -1.605 8.439 -10.809 1090 HB3 GLU 142 1HB GLU 142 -2.971 8.567 -11.910 1091 HG2 GLU 142 2HG GLU 142 -1.769 5.878 -11.299 1092 HG3 GLU 142 1HG GLU 142 -2.919 6.615 -10.184 1093 H SER 143 HN SER 143 -0.289 7.150 -10.568 1094 HA SER 143 HA SER 143 2.477 8.013 -11.129 1095 HB2 SER 143 2HB SER 143 2.806 7.869 -8.727 1096 HB3 SER 143 1HB SER 143 1.361 8.819 -9.065 1097 HG SER 143 HG SER 143 0.334 6.573 -8.909 1098 H ILE 144 HN ILE 144 3.679 6.370 -9.192 1099 HA ILE 144 HA ILE 144 3.638 3.835 -8.807 1100 HB ILE 144 HB ILE 144 2.885 3.410 -11.158 1101 HG12 ILE 144 2HG1 ILE 144 3.776 1.673 -9.706 1102 HG13 ILE 144 1HG1 ILE 144 4.125 1.375 -11.400 1103 HG21 ILE 144 1HG2 ILE 144 4.286 3.640 -13.001 1104 HG22 ILE 144 2HG2 ILE 144 5.736 3.722 -12.006 1105 HG23 ILE 144 3HG2 ILE 144 4.637 5.095 -12.071 1106 HD11 ILE 144 1HD1 ILE 144 6.185 0.910 -10.486 1107 HD12 ILE 144 2HD1 ILE 144 5.979 2.047 -9.162 1108 HD13 ILE 144 3HD1 ILE 144 6.399 2.631 -10.773 1109 H LEU 145 HN LEU 145 5.302 3.805 -7.540 1110 HA LEU 145 HA LEU 145 7.919 4.631 -8.611 1111 HB2 LEU 145 2HB LEU 145 7.186 6.484 -7.257 1112 HB3 LEU 145 1HB LEU 145 6.662 5.411 -5.967 1113 HG LEU 145 HG LEU 145 9.089 4.732 -5.640 1114 HD11 LEU 145 1HD1 LEU 145 10.795 6.267 -6.601 1115 HD12 LEU 145 2HD1 LEU 145 9.537 7.002 -7.598 1116 HD13 LEU 145 3HD1 LEU 145 9.983 5.314 -7.839 1117 HD21 LEU 145 1HD2 LEU 145 8.490 7.692 -5.416 1118 HD22 LEU 145 2HD2 LEU 145 9.698 6.803 -4.489 1119 HD23 LEU 145 3HD2 LEU 145 7.983 6.463 -4.257 1120 H ILE 146 HN ILE 146 9.667 3.571 -7.752 1121 HA ILE 146 HA ILE 146 9.082 1.146 -6.184 1122 HB ILE 146 HB ILE 146 11.359 1.429 -8.138 1123 HG12 ILE 146 2HG1 ILE 146 9.503 -0.255 -9.312 1124 HG13 ILE 146 1HG1 ILE 146 8.493 1.028 -8.644 1125 HG21 ILE 146 1HG2 ILE 146 9.980 -1.114 -7.339 1126 HG22 ILE 146 2HG2 ILE 146 11.116 -0.368 -6.215 1127 HG23 ILE 146 3HG2 ILE 146 11.657 -0.859 -7.820 1128 HD11 ILE 146 1HD1 ILE 146 10.043 2.699 -9.731 1129 HD12 ILE 146 2HD1 ILE 146 9.141 1.701 -10.872 1130 HD13 ILE 146 3HD1 ILE 146 10.836 1.347 -10.538 1131 HA PRO 147 HA PRO 147 11.801 3.997 -3.768 1132 HB2 PRO 147 2HB PRO 147 10.794 2.371 -1.517 1133 HB3 PRO 147 1HB PRO 147 10.818 4.129 -1.722 1134 HG2 PRO 147 2HG PRO 147 8.578 2.686 -1.876 1135 HG3 PRO 147 1HG PRO 147 8.822 4.170 -2.806 1136 HD2 PRO 147 2HD PRO 147 8.907 1.331 -3.725 1137 HD3 PRO 147 1HD PRO 147 8.396 2.786 -4.602 1138 H ARG 148 HN ARG 148 13.655 3.611 -2.545 1139 HA ARG 148 HA ARG 148 14.980 1.109 -3.207 1140 HB2 ARG 148 2HB ARG 148 16.232 3.171 -3.481 1141 HB3 ARG 148 1HB ARG 148 15.968 3.592 -1.787 1142 HG2 ARG 148 2HG ARG 148 17.383 1.884 -1.011 1143 HG3 ARG 148 1HG ARG 148 17.282 0.984 -2.525 1144 HD2 ARG 148 2HD ARG 148 18.746 2.436 -3.635 1145 HD3 ARG 148 1HD ARG 148 18.463 3.748 -2.494 1146 HE ARG 148 HE ARG 148 20.426 1.674 -2.247 1147 HH11 ARG 148 1HH1 ARG 148 21.653 1.650 -0.336 1148 HH12 ARG 148 2HH1 ARG 148 21.104 2.535 1.049 1149 HH21 ARG 148 1HH2 ARG 148 18.243 3.721 -0.510 1150 HH22 ARG 148 2HH2 ARG 148 19.175 3.707 0.951 1151 H GLN 149 HN GLN 149 15.017 -0.606 -1.918 1152 HA GLN 149 HA GLN 149 13.794 -0.806 0.561 1153 HB2 GLN 149 2HB GLN 149 16.195 -2.475 -0.164 1154 HB3 GLN 149 1HB GLN 149 14.757 -2.950 0.740 1155 HG2 GLN 149 2HG GLN 149 14.981 -2.386 -2.223 1156 HG3 GLN 149 1HG GLN 149 14.498 -3.890 -1.442 1157 HE21 GLN 149 1HE2 GLN 149 13.109 -1.633 -3.253 1158 HE22 GLN 149 2HE2 GLN 149 11.593 -1.486 -2.502 1159 H SER 150 HN SER 150 14.254 0.205 2.399 1160 HA SER 150 HA SER 150 17.095 0.615 3.123 1161 HB2 SER 150 2HB SER 150 16.551 2.734 4.097 1162 HB3 SER 150 1HB SER 150 15.870 2.727 2.474 1163 HG SER 150 HG SER 150 14.260 1.722 4.483 1164 H GLU 151 HN GLU 151 17.274 -1.141 4.448 1165 HA GLU 151 HA GLU 151 15.591 -2.366 6.142 1166 HB2 GLU 151 2HB GLU 151 18.266 -2.464 5.786 1167 HB3 GLU 151 1HB GLU 151 18.197 -1.738 7.392 1168 HG2 GLU 151 2HG GLU 151 18.186 -4.044 7.851 1169 HG3 GLU 151 1HG GLU 151 16.478 -3.612 7.923 1170 H THR 152 HN THR 152 16.678 0.910 6.503 1171 HA THR 152 HA THR 152 14.902 1.255 8.766 1172 HB THR 152 HB THR 152 16.970 0.542 9.885 1173 HG1 THR 152 1HG THR 152 15.759 2.128 10.907 1174 HG21 THR 152 1HG2 THR 152 19.036 1.768 9.624 1175 HG22 THR 152 2HG2 THR 152 18.254 2.948 8.569 1176 HG23 THR 152 3HG2 THR 152 18.483 1.289 8.018 1177 H CYS 153 HN CYS 153 14.331 3.421 9.094 1178 HA CYS 153 HA CYS 153 14.172 5.069 6.905 1179 HB2 CYS 153 2HB CYS 153 13.325 5.201 9.536 1180 HB3 CYS 153 1HB CYS 153 14.405 6.587 9.395 1181 H SER 154 HN SER 154 15.708 5.978 5.732 1182 HA SER 154 HA SER 154 17.843 7.455 7.024 1183 HB2 SER 154 2HB SER 154 18.264 4.898 5.581 1184 HB3 SER 154 1HB SER 154 19.412 6.194 5.257 1185 HG SER 154 HG SER 154 18.728 5.005 7.738 1186 HA PRO 155 HA PRO 155 16.654 9.725 3.305 1187 HB2 PRO 155 2HB PRO 155 18.243 11.925 3.645 1188 HB3 PRO 155 1HB PRO 155 16.723 11.673 4.523 1189 HG2 PRO 155 2HG PRO 155 19.519 11.311 5.440 1190 HG3 PRO 155 1HG PRO 155 18.098 11.874 6.330 1191 HD2 PRO 155 2HD PRO 155 19.140 9.316 6.516 1192 HD3 PRO 155 1HD PRO 155 17.461 9.748 6.908 1193 H GLY 156 HN GLY 156 20.036 10.647 3.850 1194 HA2 GLY 156 2HA GLY 156 21.583 9.056 2.398 1195 HA3 GLY 156 1HA GLY 156 20.687 9.857 1.112 1196 H SER 157 HN SER 157 23.341 10.058 3.208 1197 HA SER 157 HA SER 157 24.349 12.413 1.987 1198 HB2 SER 157 2HB SER 157 24.394 13.662 4.305 1199 HB3 SER 157 1HB SER 157 22.994 13.802 3.247 1200 HG SER 157 HG SER 157 23.166 11.719 5.131 1201 H ASP 158 HN ASP 158 26.481 12.140 2.003 1202 HA ASP 158 HA ASP 158 28.561 11.323 2.554 1203 HB2 ASP 158 2HB ASP 158 27.536 11.915 5.340 1204 HB3 ASP 158 1HB ASP 158 29.225 11.659 4.904
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