data_16068_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16068
_Entry.PDB_ID 2KCA
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 9 . 1 1 1 A 2 2 TYR H H 36 7.537 7.746 -0.209 1
1 10 . 1 1 1 A 2 2 TYR HA H 36 3.945 4.736 -0.791 1
1 15 . 1 1 1 A 2 2 TYR C C 36 176.000 176.589 -0.589 1
1 16 . 1 1 1 A 2 2 TYR CA C 36 57.871 58.202 -0.331 1
1 17 . 1 1 1 A 2 2 TYR CB C 36 37.248 39.751 -2.503 1
1 18 . 1 1 1 A 2 2 TYR N N 36 117.048 118.711 -1.663 1
1 19 . 1 1 1 A 3 3 GLU H H 37 7.718 8.807 -1.089 1
1 20 . 1 1 1 A 3 3 GLU HA H 37 4.025 4.406 -0.381 1
1 24 . 1 1 1 A 3 3 GLU C C 37 176.100 175.136 0.964 1
1 25 . 1 1 1 A 3 3 GLU CA C 37 56.788 58.906 -2.118 1
1 26 . 1 1 1 A 3 3 GLU CB C 37 29.527 29.438 0.089 1
1 28 . 1 1 1 A 3 3 GLU N N 37 118.925 119.827 -0.902 1
1 29 . 1 1 1 A 4 4 GLU H H 38 7.866 7.962 -0.096 1
1 30 . 1 1 1 A 4 4 GLU HA H 38 4.215 5.055 -0.840 1
1 35 . 1 1 1 A 4 4 GLU C C 38 176.205 174.952 1.253 1
1 36 . 1 1 1 A 4 4 GLU CA C 38 55.595 55.212 0.383 1
1 37 . 1 1 1 A 4 4 GLU CB C 38 29.162 32.720 -3.558 1
1 38 . 1 1 1 A 4 4 GLU N N 38 116.623 119.890 -3.267 1
1 39 . 1 1 1 A 5 5 PHE H H 39 8.087 8.823 -0.736 1
1 40 . 1 1 1 A 5 5 PHE HA H 39 4.780 5.093 -0.313 1
1 46 . 1 1 1 A 5 5 PHE C C 39 176.758 173.160 3.598 1
1 47 . 1 1 1 A 5 5 PHE CA C 39 54.914 57.784 -2.870 1
1 48 . 1 1 1 A 5 5 PHE CB C 39 36.531 42.450 -5.919 1
1 49 . 1 1 1 A 5 5 PHE N N 39 121.852 127.586 -5.734 1
1 50 . 1 1 1 A 6 6 ARG HA H 40 4.515 5.042 -0.527 1
1 51 . 1 1 1 A 6 6 ARG C C 40 176.376 174.235 2.141 1
1 52 . 1 1 1 A 6 6 ARG CA C 40 56.288 54.644 1.644 1
1 53 . 1 1 1 A 6 6 ARG CB C 40 31.100 31.980 -0.880 1
1 54 . 1 1 1 A 7 7 ASP H H 41 8.851 8.625 0.226 1
1 55 . 1 1 1 A 7 7 ASP HA H 41 5.182 5.042 0.140 1
1 57 . 1 1 1 A 7 7 ASP C C 41 175.379 174.178 1.201 1
1 58 . 1 1 1 A 7 7 ASP CA C 41 53.324 52.683 0.641 1
1 59 . 1 1 1 A 7 7 ASP CB C 41 44.292 44.340 -0.048 1
1 60 . 1 1 1 A 7 7 ASP N N 41 119.795 123.584 -3.789 1
1 61 . 1 1 1 A 8 8 VAL H H 42 8.580 8.471 0.109 1
1 62 . 1 1 1 A 8 8 VAL HA H 42 4.856 4.813 0.043 1
1 70 . 1 1 1 A 8 8 VAL C C 42 175.170 175.395 -0.225 1
1 71 . 1 1 1 A 8 8 VAL CA C 42 61.398 60.972 0.426 1
1 72 . 1 1 1 A 8 8 VAL CB C 42 33.643 33.397 0.246 1
1 75 . 1 1 1 A 8 8 VAL N N 42 120.042 118.153 1.889 1
1 76 . 1 1 1 A 9 9 ILE H H 43 8.765 8.857 -0.092 1
1 77 . 1 1 1 A 9 9 ILE HA H 43 4.939 5.104 -0.165 1
1 79 . 1 1 1 A 9 9 ILE C C 43 173.755 174.281 -0.526 1
1 80 . 1 1 1 A 9 9 ILE CA C 43 58.528 58.953 -0.425 1
1 81 . 1 1 1 A 9 9 ILE CB C 43 40.437 42.312 -1.875 1
1 82 . 1 1 1 A 9 9 ILE N N 43 117.778 123.946 -6.168 1
1 83 . 1 1 1 A 10 10 THR H H 44 7.834 8.260 -0.426 1
1 84 . 1 1 1 A 10 10 THR HA H 44 4.709 4.689 0.020 1
1 87 . 1 1 1 A 10 10 THR C C 44 173.691 173.673 0.018 1
1 88 . 1 1 1 A 10 10 THR CA C 44 61.662 61.059 0.603 1
1 89 . 1 1 1 A 10 10 THR CB C 44 70.906 70.041 0.865 1
1 91 . 1 1 1 A 10 10 THR N N 44 116.613 117.684 -1.071 1
1 92 . 1 1 1 A 11 11 PHE H H 45 8.821 8.448 0.373 1
1 93 . 1 1 1 A 11 11 PHE HA H 45 4.807 5.051 -0.244 1
1 94 . 1 1 1 A 11 11 PHE C C 45 175.619 175.670 -0.051 1
1 95 . 1 1 1 A 11 11 PHE CA C 45 57.779 56.758 1.021 1
1 96 . 1 1 1 A 11 11 PHE CB C 45 39.649 39.650 -0.001 1
1 97 . 1 1 1 A 11 11 PHE N N 45 125.155 126.078 -0.923 1
1 98 . 1 1 1 A 12 12 GLN H H 46 9.103 8.724 0.379 1
1 99 . 1 1 1 A 12 12 GLN HA H 46 5.573 5.177 0.396 1
1 103 . 1 1 1 A 12 12 GLN C C 46 175.011 173.900 1.111 1
1 104 . 1 1 1 A 12 12 GLN CA C 46 54.423 53.963 0.460 1
1 105 . 1 1 1 A 12 12 GLN CB C 46 34.467 32.963 1.504 1
1 106 . 1 1 1 A 12 12 GLN N N 46 119.069 120.689 -1.620 1
1 107 . 1 1 1 A 13 13 SER H H 47 8.730 8.970 -0.240 1
1 108 . 1 1 1 A 13 13 SER HA H 47 5.229 5.514 -0.285 1
1 110 . 1 1 1 A 13 13 SER C C 47 171.559 172.543 -0.984 1
1 111 . 1 1 1 A 13 13 SER CA C 47 56.514 57.121 -0.607 1
1 112 . 1 1 1 A 13 13 SER CB C 47 66.075 65.457 0.618 1
1 113 . 1 1 1 A 13 13 SER N N 47 114.734 116.930 -2.196 1
1 114 . 1 1 1 A 14 14 TYR H H 48 8.544 8.784 -0.240 1
1 115 . 1 1 1 A 14 14 TYR HA H 48 4.256 4.949 -0.693 1
1 120 . 1 1 1 A 14 14 TYR C C 48 175.437 173.746 1.691 1
1 121 . 1 1 1 A 14 14 TYR CA C 48 56.137 55.401 0.736 1
1 122 . 1 1 1 A 14 14 TYR CB C 48 36.242 40.872 -4.630 1
1 125 . 1 1 1 A 14 14 TYR N N 48 126.962 126.710 0.252 1
1 126 . 1 1 1 A 15 15 VAL H H 49 8.537 8.545 -0.008 1
1 127 . 1 1 1 A 15 15 VAL HA H 49 4.360 4.508 -0.148 1
1 132 . 1 1 1 A 15 15 VAL C C 49 174.600 175.079 -0.479 1
1 133 . 1 1 1 A 15 15 VAL CA C 49 62.600 60.544 2.056 1
1 134 . 1 1 1 A 15 15 VAL CB C 49 35.100 35.437 -0.337 1
1 136 . 1 1 1 A 15 15 VAL N N 49 123.837 127.413 -3.576 1
1 137 . 1 1 1 A 16 16 GLU H H 50 8.296 8.673 -0.377 1
1 138 . 1 1 1 A 16 16 GLU HA H 50 3.702 4.355 -0.653 1
1 142 . 1 1 1 A 16 16 GLU C C 50 175.947 175.530 0.417 1
1 143 . 1 1 1 A 16 16 GLU CA C 50 55.400 56.360 -0.960 1
1 144 . 1 1 1 A 16 16 GLU CB C 50 30.100 27.794 2.306 1
1 145 . 1 1 1 A 16 16 GLU N N 50 124.989 126.783 -1.794 1
1 146 . 1 1 1 A 17 17 GLN H H 51 8.529 7.900 0.629 1
1 147 . 1 1 1 A 17 17 GLN HA H 51 4.415 4.431 -0.016 1
1 151 . 1 1 1 A 17 17 GLN C C 51 175.122 174.261 0.861 1
1 152 . 1 1 1 A 17 17 GLN CA C 51 54.060 57.429 -3.369 1
1 153 . 1 1 1 A 17 17 GLN CB C 51 29.943 28.039 1.904 1
1 155 . 1 1 1 A 17 17 GLN N N 51 124.656 114.995 9.661 1
1 156 . 1 1 1 A 18 18 SER HA H 52 4.420 4.655 -0.235 1
1 157 . 1 1 1 A 18 18 SER C C 52 173.505 172.986 0.519 1
1 158 . 1 1 1 A 18 18 SER CA C 52 58.279 57.563 0.716 1
1 159 . 1 1 1 A 18 18 SER CB C 52 63.835 62.420 1.415 1
1 160 . 1 1 1 A 19 19 ASN H H 53 8.109 7.800 0.309 1
1 161 . 1 1 1 A 19 19 ASN HA H 53 4.399 4.804 -0.405 1
1 164 . 1 1 1 A 19 19 ASN C C 53 179.837 174.942 4.895 1
1 165 . 1 1 1 A 19 19 ASN CA C 53 54.664 51.992 2.672 1
1 166 . 1 1 1 A 19 19 ASN CB C 53 39.983 39.343 0.640 1
1 167 . 1 1 1 A 19 19 ASN N N 53 126.199 117.722 8.477 1
1 168 . 1 1 1 A 20 20 GLY H H 54 8.166 8.872 -0.706 1
1 169 . 1 1 1 A 20 20 GLY HA2 H 54 3.911 3.809 0.102 1
1 170 . 1 1 1 A 20 20 GLY C C 54 174.876 173.307 1.569 1
1 171 . 1 1 1 A 20 20 GLY CA C 54 45.206 46.257 -1.051 1
1 172 . 1 1 1 A 20 20 GLY N N 54 113.067 107.380 5.687 1
1 173 . 1 1 1 A 22 22 GLY CA C 56 45.279 45.897 -0.618 1
1 174 . 1 1 1 A 23 23 GLY H H 57 8.235 8.124 0.111 1
1 175 . 1 1 1 A 23 23 GLY HA2 H 57 3.929 4.177 -0.248 1
1 176 . 1 1 1 A 23 23 GLY C C 57 173.796 173.365 0.431 1
1 177 . 1 1 1 A 23 23 GLY CA C 57 45.348 45.005 0.343 1
1 178 . 1 1 1 A 23 23 GLY N N 57 108.389 111.863 -3.474 1
1 179 . 1 1 1 A 24 24 LYS HA H 58 4.804 4.242 0.562 1
1 180 . 1 1 1 A 24 24 LYS C C 58 175.908 175.314 0.594 1
1 181 . 1 1 1 A 24 24 LYS CA C 58 54.833 58.444 -3.611 1
1 182 . 1 1 1 A 24 24 LYS CB C 58 34.402 32.324 2.078 1
1 183 . 1 1 1 A 25 25 THR H H 59 8.413 7.661 0.752 1
1 184 . 1 1 1 A 25 25 THR HA H 59 4.482 4.686 -0.204 1
1 187 . 1 1 1 A 25 25 THR C C 59 171.934 172.482 -0.548 1
1 188 . 1 1 1 A 25 25 THR CA C 59 60.144 59.743 0.401 1
1 189 . 1 1 1 A 25 25 THR CB C 59 71.035 72.600 -1.565 1
1 191 . 1 1 1 A 25 25 THR N N 59 115.947 108.465 7.482 1
1 192 . 1 1 1 A 26 26 TYR H H 60 8.182 8.306 -0.124 1
1 193 . 1 1 1 A 26 26 TYR HA H 60 4.883 5.556 -0.673 1
1 198 . 1 1 1 A 26 26 TYR C C 60 173.593 173.917 -0.324 1
1 199 . 1 1 1 A 26 26 TYR CA C 60 54.043 55.275 -1.232 1
1 200 . 1 1 1 A 26 26 TYR CB C 60 40.100 42.166 -2.066 1
1 202 . 1 1 1 A 26 26 TYR N N 60 121.985 118.613 3.372 1
1 203 . 1 1 1 A 27 27 LYS H H 61 8.385 8.312 0.073 1
1 204 . 1 1 1 A 27 27 LYS HA H 61 4.563 5.143 -0.580 1
1 205 . 1 1 1 A 27 27 LYS C C 61 174.186 175.453 -1.267 1
1 206 . 1 1 1 A 27 27 LYS CA C 61 54.589 54.684 -0.095 1
1 207 . 1 1 1 A 27 27 LYS CB C 61 35.801 35.725 0.076 1
1 208 . 1 1 1 A 27 27 LYS N N 61 120.203 121.052 -0.849 1
1 209 . 1 1 1 A 28 28 TRP H H 62 8.524 8.966 -0.442 1
1 210 . 1 1 1 A 28 28 TRP HA H 62 5.361 5.419 -0.058 1
1 215 . 1 1 1 A 28 28 TRP C C 62 176.934 176.107 0.827 1
1 216 . 1 1 1 A 28 28 TRP CA C 62 56.499 55.698 0.801 1
1 217 . 1 1 1 A 28 28 TRP CB C 62 29.300 31.385 -2.085 1
1 218 . 1 1 1 A 28 28 TRP N N 62 122.913 123.883 -0.970 1
1 220 . 1 1 1 A 29 29 VAL H H 63 9.470 8.910 0.560 1
1 221 . 1 1 1 A 29 29 VAL HA H 63 4.626 5.011 -0.385 1
1 229 . 1 1 1 A 29 29 VAL C C 63 175.264 173.296 1.968 1
1 230 . 1 1 1 A 29 29 VAL CA C 63 59.163 59.545 -0.382 1
1 231 . 1 1 1 A 29 29 VAL CB C 63 34.759 36.246 -1.487 1
1 234 . 1 1 1 A 29 29 VAL N N 63 120.454 117.152 3.302 1
1 235 . 1 1 1 A 30 30 ASP H H 64 8.576 8.873 -0.297 1
1 236 . 1 1 1 A 30 30 ASP HA H 64 4.386 5.243 -0.857 1
1 237 . 1 1 1 A 30 30 ASP C C 64 174.186 176.172 -1.986 1
1 238 . 1 1 1 A 30 30 ASP CA C 64 55.907 53.115 2.792 1
1 239 . 1 1 1 A 30 30 ASP CB C 64 39.942 43.349 -3.407 1
1 240 . 1 1 1 A 30 30 ASP N N 64 123.588 124.434 -0.846 1
1 241 . 1 1 1 A 31 31 GLU H H 65 9.482 9.252 0.230 1
1 242 . 1 1 1 A 31 31 GLU HA H 65 4.674 4.516 0.158 1
1 246 . 1 1 1 A 31 31 GLU C C 65 176.000 176.317 -0.317 1
1 247 . 1 1 1 A 31 31 GLU CA C 65 57.263 58.087 -0.824 1
1 248 . 1 1 1 A 31 31 GLU CB C 65 30.200 31.558 -1.358 1
1 250 . 1 1 1 A 31 31 GLU N N 65 124.008 125.309 -1.301 1
1 251 . 1 1 1 A 32 32 PHE H H 66 7.257 7.453 -0.196 1
1 252 . 1 1 1 A 32 32 PHE HA H 66 4.940 5.166 -0.226 1
1 254 . 1 1 1 A 32 32 PHE C C 66 172.742 173.296 -0.554 1
1 255 . 1 1 1 A 32 32 PHE CA C 66 56.316 56.576 -0.260 1
1 256 . 1 1 1 A 32 32 PHE CB C 66 38.948 40.761 -1.813 1
1 257 . 1 1 1 A 32 32 PHE N N 66 110.866 112.930 -2.064 1
1 258 . 1 1 1 A 33 33 THR H H 67 8.603 8.979 -0.376 1
1 259 . 1 1 1 A 33 33 THR HA H 67 5.377 5.279 0.098 1
1 262 . 1 1 1 A 33 33 THR C C 67 173.388 173.742 -0.354 1
1 263 . 1 1 1 A 33 33 THR CA C 67 60.207 60.263 -0.056 1
1 264 . 1 1 1 A 33 33 THR CB C 67 71.620 71.253 0.367 1
1 266 . 1 1 1 A 33 33 THR N N 67 114.847 112.530 2.317 1
1 267 . 1 1 1 A 34 34 ALA H H 68 9.185 8.707 0.478 1
1 268 . 1 1 1 A 34 34 ALA HA H 68 4.873 4.996 -0.123 1
1 272 . 1 1 1 A 34 34 ALA C C 68 174.999 176.019 -1.020 1
1 273 . 1 1 1 A 34 34 ALA CA C 68 50.660 51.543 -0.883 1
1 274 . 1 1 1 A 34 34 ALA CB C 68 23.911 24.331 -0.420 1
1 275 . 1 1 1 A 34 34 ALA N N 68 125.817 124.303 1.514 1
1 276 . 1 1 1 A 35 35 ALA H H 69 8.347 8.621 -0.274 1
1 277 . 1 1 1 A 35 35 ALA HA H 69 4.889 5.094 -0.205 1
1 281 . 1 1 1 A 35 35 ALA C C 69 176.937 176.862 0.075 1
1 282 . 1 1 1 A 35 35 ALA CA C 69 51.329 51.050 0.279 1
1 283 . 1 1 1 A 35 35 ALA CB C 69 19.210 20.442 -1.232 1
1 284 . 1 1 1 A 35 35 ALA N N 69 122.342 122.474 -0.132 1
1 285 . 1 1 1 A 36 36 ALA H H 70 8.468 8.740 -0.272 1
1 286 . 1 1 1 A 36 36 ALA HA H 70 4.996 4.861 0.135 1
1 290 . 1 1 1 A 36 36 ALA C C 70 175.102 175.430 -0.328 1
1 291 . 1 1 1 A 36 36 ALA CA C 70 50.876 51.525 -0.649 1
1 292 . 1 1 1 A 36 36 ALA CB C 70 23.556 24.037 -0.481 1
1 293 . 1 1 1 A 36 36 ALA N N 70 120.267 125.318 -5.051 1
1 294 . 1 1 1 A 37 37 HIS H H 71 9.136 8.308 0.828 1
1 295 . 1 1 1 A 37 37 HIS HA H 71 5.343 5.340 0.003 1
1 298 . 1 1 1 A 37 37 HIS C C 71 174.002 173.310 0.692 1
1 299 . 1 1 1 A 37 37 HIS CA C 71 54.803 54.692 0.111 1
1 300 . 1 1 1 A 37 37 HIS CB C 71 32.322 33.194 -0.872 1
1 301 . 1 1 1 A 37 37 HIS N N 71 119.360 119.321 0.039 1
1 302 . 1 1 1 A 38 38 VAL H H 72 8.557 9.168 -0.611 1
1 303 . 1 1 1 A 38 38 VAL HA H 72 4.174 4.625 -0.451 1
1 311 . 1 1 1 A 38 38 VAL C C 72 174.000 174.378 -0.378 1
1 312 . 1 1 1 A 38 38 VAL CA C 72 61.587 61.097 0.490 1
1 313 . 1 1 1 A 38 38 VAL CB C 72 31.381 32.846 -1.465 1
1 316 . 1 1 1 A 38 38 VAL N N 72 127.947 128.337 -0.390 1
1 317 . 1 1 1 A 39 39 GLN H H 73 8.971 8.803 0.168 1
1 318 . 1 1 1 A 39 39 GLN HA H 73 5.019 4.932 0.087 1
1 321 . 1 1 1 A 39 39 GLN C C 73 173.260 173.747 -0.487 1
1 322 . 1 1 1 A 39 39 GLN CA C 73 51.310 52.646 -1.336 1
1 323 . 1 1 1 A 39 39 GLN CB C 73 30.955 32.203 -1.248 1
1 324 . 1 1 1 A 39 39 GLN N N 73 127.985 126.769 1.216 1
1 325 . 1 1 1 A 40 40 PRO HA H 74 4.707 3.589 1.118 1
1 329 . 1 1 1 A 40 40 PRO C C 74 3.820 177.457 -173.637 1
1 330 . 1 1 1 A 40 40 PRO CA C 74 176.828 61.960 114.868 1
1 331 . 1 1 1 A 40 40 PRO CB C 74 62.215 32.225 29.990 1
1 333 . 1 1 1 A 40 40 PRO N N 74 50.800 138.185 -87.385 1
1 334 . 1 1 1 A 41 41 ILE H H 75 8.105 8.919 -0.814 1
1 335 . 1 1 1 A 41 41 ILE HA H 75 4.074 4.019 0.055 1
1 338 . 1 1 1 A 41 41 ILE C C 75 175.881 175.994 -0.113 1
1 339 . 1 1 1 A 41 41 ILE CA C 75 61.399 63.516 -2.117 1
1 340 . 1 1 1 A 41 41 ILE CB C 75 38.214 38.830 -0.616 1
1 342 . 1 1 1 A 41 41 ILE N N 75 122.818 123.637 -0.819 1
1 343 . 1 1 1 A 43 43 GLN HA H 77 4.267 4.639 -0.372 1
1 344 . 1 1 1 A 43 43 GLN C C 77 176.255 175.189 1.066 1
1 345 . 1 1 1 A 43 43 GLN CA C 77 56.500 56.546 -0.046 1
1 346 . 1 1 1 A 43 43 GLN CB C 77 29.100 29.410 -0.310 1
1 347 . 1 1 1 A 44 44 GLU H H 78 8.458 9.016 -0.558 1
1 348 . 1 1 1 A 44 44 GLU HA H 78 4.184 4.462 -0.278 1
1 351 . 1 1 1 A 44 44 GLU C C 78 177.000 176.528 0.472 1
1 352 . 1 1 1 A 44 44 GLU CA C 78 57.400 56.236 1.164 1
1 353 . 1 1 1 A 44 44 GLU CB C 78 29.148 29.592 -0.444 1
1 355 . 1 1 1 A 44 44 GLU N N 78 120.627 122.584 -1.957 1
1 356 . 1 1 1 A 45 45 GLU H H 79 8.283 8.166 0.117 1
1 357 . 1 1 1 A 45 45 GLU HA H 79 4.121 4.013 0.108 1
1 360 . 1 1 1 A 45 45 GLU C C 79 176.972 175.737 1.235 1
1 361 . 1 1 1 A 45 45 GLU CA C 79 57.106 58.146 -1.040 1
1 362 . 1 1 1 A 45 45 GLU CB C 79 29.680 29.475 0.205 1
1 364 . 1 1 1 A 45 45 GLU N N 79 119.997 118.444 1.553 1
1 365 . 1 1 1 A 46 46 TYR H H 80 7.961 8.250 -0.289 1
1 366 . 1 1 1 A 46 46 TYR HA H 80 4.369 4.182 0.187 1
1 369 . 1 1 1 A 46 46 TYR C C 80 176.086 175.283 0.803 1
1 370 . 1 1 1 A 46 46 TYR CA C 80 58.284 60.279 -1.995 1
1 371 . 1 1 1 A 46 46 TYR CB C 80 38.214 39.366 -1.152 1
1 372 . 1 1 1 A 46 46 TYR N N 80 119.582 119.988 -0.406 1
1 373 . 1 1 1 A 47 47 TYR H H 81 7.918 7.975 -0.057 1
1 374 . 1 1 1 A 47 47 TYR HA H 81 4.399 4.203 0.196 1
1 378 . 1 1 1 A 47 47 TYR C C 81 176.566 175.630 0.936 1
1 379 . 1 1 1 A 47 47 TYR CA C 81 58.479 61.193 -2.714 1
1 380 . 1 1 1 A 47 47 TYR CB C 81 38.042 36.833 1.209 1
1 381 . 1 1 1 A 47 47 TYR N N 81 119.336 118.446 0.890 1
1 382 . 1 1 1 A 48 48 LYS HA H 82 4.090 3.740 0.350 1
1 383 . 1 1 1 A 48 48 LYS C C 82 176.894 177.250 -0.356 1
1 384 . 1 1 1 A 48 48 LYS CA C 82 56.786 58.882 -2.096 1
1 385 . 1 1 1 A 48 48 LYS CB C 82 32.306 30.449 1.857 1
1 386 . 1 1 1 A 49 49 ALA H H 83 7.999 8.404 -0.405 1
1 387 . 1 1 1 A 49 49 ALA HA H 83 4.178 4.327 -0.149 1
1 391 . 1 1 1 A 49 49 ALA C C 83 178.193 176.964 1.229 1
1 392 . 1 1 1 A 49 49 ALA CA C 83 52.825 54.193 -1.368 1
1 393 . 1 1 1 A 49 49 ALA CB C 83 18.200 19.940 -1.740 1
1 394 . 1 1 1 A 49 49 ALA N N 83 122.394 121.449 0.945 1
1 395 . 1 1 1 A 50 50 GLN H H 84 8.006 7.651 0.355 1
1 396 . 1 1 1 A 50 50 GLN HA H 84 4.167 4.548 -0.381 1
1 400 . 1 1 1 A 50 50 GLN C C 84 176.200 174.039 2.161 1
1 401 . 1 1 1 A 50 50 GLN CA C 84 56.016 55.282 0.734 1
1 402 . 1 1 1 A 50 50 GLN CB C 84 28.467 28.895 -0.428 1
1 404 . 1 1 1 A 50 50 GLN N N 84 116.623 111.027 5.596 1
1 405 . 1 1 1 A 51 51 GLN H H 85 8.085 8.632 -0.547 1
1 406 . 1 1 1 A 51 51 GLN HA H 85 4.223 4.438 -0.215 1
1 410 . 1 1 1 A 51 51 GLN CA C 85 56.393 58.123 -1.730 1
1 411 . 1 1 1 A 51 51 GLN CB C 85 28.600 27.785 0.815 1
1 413 . 1 1 1 A 51 51 GLN N N 85 118.681 118.668 0.013 1
1 414 . 1 1 1 A 53 53 GLN HA H 87 4.268 4.775 -0.507 1
1 415 . 1 1 1 A 53 53 GLN C C 87 175.517 174.023 1.494 1
1 416 . 1 1 1 A 53 53 GLN CA C 87 55.821 55.172 0.649 1
1 417 . 1 1 1 A 53 53 GLN CB C 87 28.296 32.523 -4.227 1
1 418 . 1 1 1 A 54 54 THR H H 88 7.950 8.483 -0.533 1
1 419 . 1 1 1 A 54 54 THR HA H 88 4.540 4.782 -0.242 1
1 422 . 1 1 1 A 54 54 THR C C 88 172.445 173.296 -0.851 1
1 423 . 1 1 1 A 54 54 THR CA C 88 59.184 60.112 -0.928 1
1 424 . 1 1 1 A 54 54 THR CB C 88 69.534 69.393 0.141 1
1 426 . 1 1 1 A 54 54 THR N N 88 116.337 115.495 0.842 1
1 427 . 1 1 1 A 55 55 PRO HA H 89 4.410 4.677 -0.267 1
1 431 . 1 1 1 A 55 55 PRO C C 89 3.600 176.698 -173.098 1
1 432 . 1 1 1 A 55 55 PRO CA C 89 176.508 62.634 113.874 1
1 433 . 1 1 1 A 55 55 PRO CB C 89 62.325 32.037 30.288 1
1 436 . 1 1 1 A 55 55 PRO N N 89 50.400 141.186 -90.786 1
1 437 . 1 1 1 A 56 56 ILE H H 90 8.247 8.458 -0.211 1
1 438 . 1 1 1 A 56 56 ILE HA H 90 3.993 4.634 -0.641 1
1 443 . 1 1 1 A 56 56 ILE C C 90 175.132 175.464 -0.332 1
1 444 . 1 1 1 A 56 56 ILE CA C 90 60.718 60.374 0.344 1
1 445 . 1 1 1 A 56 56 ILE CB C 90 38.277 38.612 -0.335 1
1 447 . 1 1 1 A 56 56 ILE N N 90 121.921 116.523 5.398 1
1 448 . 1 1 1 A 57 57 GLY H H 91 7.820 7.972 -0.152 1
1 449 . 1 1 1 A 57 57 GLY HA2 H 91 4.550 4.281 0.269 1
1 450 . 1 1 1 A 57 57 GLY HA3 H 91 3.640 4.368 -0.728 1
1 451 . 1 1 1 A 57 57 GLY C C 91 172.184 171.602 0.582 1
1 452 . 1 1 1 A 57 57 GLY CA C 91 43.575 44.218 -0.643 1
1 453 . 1 1 1 A 57 57 GLY N N 91 110.987 111.599 -0.612 1
1 454 . 1 1 1 A 58 58 TYR H H 92 8.593 9.154 -0.561 1
1 455 . 1 1 1 A 58 58 TYR HA H 92 5.166 5.307 -0.141 1
1 460 . 1 1 1 A 58 58 TYR C C 92 175.122 175.157 -0.035 1
1 461 . 1 1 1 A 58 58 TYR CA C 92 56.544 56.541 0.003 1
1 462 . 1 1 1 A 58 58 TYR CB C 92 43.819 43.064 0.755 1
1 465 . 1 1 1 A 58 58 TYR N N 92 116.307 121.867 -5.560 1
1 466 . 1 1 1 A 59 59 ASN H H 93 8.964 9.051 -0.087 1
1 467 . 1 1 1 A 59 59 ASN HA H 93 5.116 5.644 -0.528 1
1 470 . 1 1 1 A 59 59 ASN C C 93 173.457 174.274 -0.817 1
1 471 . 1 1 1 A 59 59 ASN CA C 93 52.717 52.187 0.530 1
1 472 . 1 1 1 A 59 59 ASN CB C 93 40.420 41.483 -1.063 1
1 473 . 1 1 1 A 59 59 ASN N N 93 119.232 120.261 -1.029 1
1 474 . 1 1 1 A 60 60 ILE H H 94 9.013 8.801 0.212 1
1 475 . 1 1 1 A 60 60 ILE HA H 94 4.383 4.803 -0.420 1
1 476 . 1 1 1 A 60 60 ILE C C 94 173.370 173.265 0.105 1
1 477 . 1 1 1 A 60 60 ILE CA C 94 60.231 59.153 1.078 1
1 478 . 1 1 1 A 60 60 ILE CB C 94 38.728 42.003 -3.275 1
1 479 . 1 1 1 A 60 60 ILE N N 94 123.021 121.785 1.236 1
1 480 . 1 1 1 A 61 61 TYR H H 95 8.867 8.341 0.526 1
1 481 . 1 1 1 A 61 61 TYR HA H 95 5.279 5.987 -0.708 1
1 486 . 1 1 1 A 61 61 TYR C C 95 174.262 174.468 -0.206 1
1 487 . 1 1 1 A 61 61 TYR CA C 95 55.732 55.202 0.530 1
1 488 . 1 1 1 A 61 61 TYR CB C 95 39.723 42.116 -2.393 1
1 491 . 1 1 1 A 61 61 TYR N N 95 125.343 122.619 2.724 1
1 492 . 1 1 1 A 62 62 THR H H 96 8.998 8.632 0.366 1
1 493 . 1 1 1 A 62 62 THR HA H 96 4.889 4.718 0.171 1
1 496 . 1 1 1 A 62 62 THR C C 96 172.708 172.259 0.449 1
1 497 . 1 1 1 A 62 62 THR CA C 96 58.248 59.163 -0.915 1
1 498 . 1 1 1 A 62 62 THR CB C 96 73.097 71.823 1.274 1
1 500 . 1 1 1 A 62 62 THR N N 96 119.223 117.051 2.172 1
1 501 . 1 1 1 A 63 63 PRO HA H 97 4.410 4.667 -0.257 1
1 503 . 1 1 1 A 63 63 PRO C C 97 3.190 177.293 -174.103 1
1 504 . 1 1 1 A 63 63 PRO CA C 97 175.250 63.451 111.799 1
1 505 . 1 1 1 A 63 63 PRO CB C 97 63.642 31.610 32.032 1
1 507 . 1 1 1 A 63 63 PRO N N 97 51.700 139.614 -87.914 1
1 508 . 1 1 1 A 64 64 TYR H H 98 7.826 9.028 -1.202 1
1 509 . 1 1 1 A 64 64 TYR HA H 98 4.265 4.262 0.003 1
1 514 . 1 1 1 A 64 64 TYR C C 98 175.150 174.802 0.348 1
1 515 . 1 1 1 A 64 64 TYR CA C 98 59.434 59.307 0.127 1
1 516 . 1 1 1 A 64 64 TYR CB C 98 37.240 36.896 0.344 1
1 518 . 1 1 1 A 64 64 TYR N N 98 122.118 123.243 -1.125 1
1 519 . 1 1 1 A 65 65 ASP H H 99 5.931 7.765 -1.834 1
1 520 . 1 1 1 A 65 65 ASP HA H 99 4.255 4.589 -0.334 1
1 523 . 1 1 1 A 65 65 ASP C C 99 176.079 175.870 0.209 1
1 524 . 1 1 1 A 65 65 ASP CA C 99 52.885 52.941 -0.056 1
1 525 . 1 1 1 A 65 65 ASP CB C 99 43.486 42.419 1.067 1
1 526 . 1 1 1 A 65 65 ASP N N 99 125.409 120.247 5.162 1
1 527 . 1 1 1 A 66 66 ASP H H 100 8.703 8.556 0.147 1
1 528 . 1 1 1 A 66 66 ASP HA H 100 4.058 4.780 -0.722 1
1 531 . 1 1 1 A 66 66 ASP C C 100 176.300 176.206 0.094 1
1 532 . 1 1 1 A 66 66 ASP CA C 100 55.332 53.871 1.461 1
1 533 . 1 1 1 A 66 66 ASP CB C 100 40.206 41.070 -0.864 1
1 534 . 1 1 1 A 66 66 ASP N N 100 128.295 125.674 2.621 1
1 535 . 1 1 1 A 67 67 ARG H H 101 8.832 7.305 1.527 1
1 536 . 1 1 1 A 67 67 ARG HA H 101 3.944 4.235 -0.291 1
1 538 . 1 1 1 A 67 67 ARG C C 101 177.624 178.514 -0.890 1
1 539 . 1 1 1 A 67 67 ARG CA C 101 56.509 57.009 -0.500 1
1 540 . 1 1 1 A 67 67 ARG CB C 101 31.162 30.055 1.107 1
1 541 . 1 1 1 A 67 67 ARG N N 101 117.507 119.239 -1.732 1
1 542 . 1 1 1 A 68 68 ILE H H 102 7.004 7.481 -0.477 1
1 543 . 1 1 1 A 68 68 ILE HA H 102 3.507 3.847 -0.340 1
1 548 . 1 1 1 A 68 68 ILE C C 102 174.835 175.861 -1.026 1
1 549 . 1 1 1 A 68 68 ILE CA C 102 63.638 65.281 -1.643 1
1 550 . 1 1 1 A 68 68 ILE CB C 102 36.617 37.973 -1.356 1
1 552 . 1 1 1 A 68 68 ILE N N 102 116.003 119.460 -3.457 1
1 553 . 1 1 1 A 69 69 ASP H H 103 8.026 7.807 0.219 1
1 554 . 1 1 1 A 69 69 ASP HA H 103 4.954 4.820 0.134 1
1 557 . 1 1 1 A 69 69 ASP C C 103 175.574 175.428 0.146 1
1 558 . 1 1 1 A 69 69 ASP CA C 103 52.485 53.097 -0.612 1
1 559 . 1 1 1 A 69 69 ASP CB C 103 45.984 41.025 4.959 1
1 560 . 1 1 1 A 69 69 ASP N N 103 129.672 120.285 9.387 1
1 561 . 1 1 1 A 70 70 LYS H H 104 8.505 8.729 -0.224 1
1 562 . 1 1 1 A 70 70 LYS C C 104 175.300 175.577 -0.277 1
1 563 . 1 1 1 A 70 70 LYS CA C 104 58.027 55.452 2.575 1
1 564 . 1 1 1 A 70 70 LYS CB C 104 31.376 32.819 -1.443 1
1 565 . 1 1 1 A 70 70 LYS N N 104 119.646 124.010 -4.364 1
1 566 . 1 1 1 A 71 71 LYS H H 105 8.653 8.014 0.639 1
1 567 . 1 1 1 A 71 71 LYS HA H 105 4.513 3.978 0.535 1
1 571 . 1 1 1 A 71 71 LYS C C 105 178.190 175.281 2.909 1
1 572 . 1 1 1 A 71 71 LYS CA C 105 56.415 57.102 -0.687 1
1 573 . 1 1 1 A 71 71 LYS CB C 105 30.942 31.127 -0.185 1
1 575 . 1 1 1 A 71 71 LYS N N 105 118.554 119.690 -1.136 1
1 576 . 1 1 1 A 72 72 MET H H 106 7.596 7.513 0.083 1
1 577 . 1 1 1 A 72 72 MET HA H 106 5.019 5.358 -0.339 1
1 578 . 1 1 1 A 72 72 MET C C 106 172.309 174.504 -2.195 1
1 579 . 1 1 1 A 72 72 MET CA C 106 56.500 54.472 2.028 1
1 580 . 1 1 1 A 72 72 MET CB C 106 34.892 38.214 -3.322 1
1 581 . 1 1 1 A 72 72 MET N N 106 119.949 120.578 -0.629 1
1 582 . 1 1 1 A 73 73 ARG H H 107 8.266 9.000 -0.734 1
1 583 . 1 1 1 A 73 73 ARG HA H 107 4.075 5.254 -1.179 1
1 585 . 1 1 1 A 73 73 ARG C C 107 172.995 174.500 -1.505 1
1 586 . 1 1 1 A 73 73 ARG CA C 107 53.348 55.251 -1.903 1
1 587 . 1 1 1 A 73 73 ARG CB C 107 31.579 32.963 -1.384 1
1 588 . 1 1 1 A 73 73 ARG N N 107 112.423 121.832 -9.409 1
1 589 . 1 1 1 A 74 74 VAL H H 108 8.371 8.534 -0.163 1
1 590 . 1 1 1 A 74 74 VAL HA H 108 4.954 4.989 -0.035 1
1 598 . 1 1 1 A 74 74 VAL C C 108 173.137 174.015 -0.878 1
1 599 . 1 1 1 A 74 74 VAL CA C 108 58.400 59.974 -1.574 1
1 600 . 1 1 1 A 74 74 VAL CB C 108 35.700 34.338 1.362 1
1 603 . 1 1 1 A 74 74 VAL N N 108 117.751 122.213 -4.462 1
1 604 . 1 1 1 A 75 75 ILE H H 109 8.644 8.736 -0.092 1
1 605 . 1 1 1 A 75 75 ILE HA H 109 4.772 4.999 -0.227 1
1 610 . 1 1 1 A 75 75 ILE C C 109 176.377 173.708 2.669 1
1 611 . 1 1 1 A 75 75 ILE CA C 109 57.500 59.488 -1.988 1
1 612 . 1 1 1 A 75 75 ILE CB C 109 35.550 40.251 -4.701 1
1 614 . 1 1 1 A 75 75 ILE N N 109 122.741 123.935 -1.194 1
1 615 . 1 1 1 A 76 76 TYR H H 110 8.928 7.761 1.167 1
1 616 . 1 1 1 A 76 76 TYR HA H 110 4.873 5.210 -0.337 1
1 621 . 1 1 1 A 76 76 TYR C C 110 173.400 175.475 -2.075 1
1 622 . 1 1 1 A 76 76 TYR CA C 110 54.699 55.629 -0.930 1
1 623 . 1 1 1 A 76 76 TYR CB C 110 40.392 40.651 -0.259 1
1 626 . 1 1 1 A 76 76 TYR N N 110 129.091 128.104 0.987 1
1 627 . 1 1 1 A 77 77 ARG H H 111 9.206 9.279 -0.073 1
1 628 . 1 1 1 A 77 77 ARG HA H 111 3.537 3.938 -0.401 1
1 633 . 1 1 1 A 77 77 ARG C C 111 176.065 175.179 0.886 1
1 634 . 1 1 1 A 77 77 ARG CA C 111 56.490 57.015 -0.525 1
1 635 . 1 1 1 A 77 77 ARG CB C 111 27.448 29.157 -1.709 1
1 636 . 1 1 1 A 77 77 ARG N N 111 126.774 120.744 6.030 1
1 637 . 1 1 1 A 78 78 GLY H H 112 8.155 8.291 -0.136 1
1 638 . 1 1 1 A 78 78 GLY HA2 H 112 4.040 3.727 0.313 1
1 639 . 1 1 1 A 78 78 GLY HA3 H 112 3.540 3.755 -0.215 1
1 640 . 1 1 1 A 78 78 GLY C C 112 173.810 173.488 0.322 1
1 641 . 1 1 1 A 78 78 GLY CA C 112 45.284 45.351 -0.067 1
1 642 . 1 1 1 A 78 78 GLY N N 112 102.172 105.036 -2.864 1
1 643 . 1 1 1 A 79 79 LYS HA H 113 3.910 4.369 -0.459 1
1 644 . 1 1 1 A 79 79 LYS C C 113 174.750 175.201 -0.451 1
1 645 . 1 1 1 A 79 79 LYS CA C 113 53.808 54.876 -1.068 1
1 646 . 1 1 1 A 79 79 LYS CB C 113 33.298 34.314 -1.016 1
1 647 . 1 1 1 A 80 80 ILE H H 114 8.484 8.906 -0.422 1
1 648 . 1 1 1 A 80 80 ILE HA H 114 3.860 4.843 -0.983 1
1 653 . 1 1 1 A 80 80 ILE C C 114 174.732 175.022 -0.290 1
1 654 . 1 1 1 A 80 80 ILE CA C 114 61.130 59.788 1.342 1
1 655 . 1 1 1 A 80 80 ILE CB C 114 37.740 38.204 -0.464 1
1 657 . 1 1 1 A 80 80 ILE N N 114 121.186 125.051 -3.865 1
1 658 . 1 1 1 A 81 81 VAL H H 115 9.395 8.551 0.844 1
1 659 . 1 1 1 A 81 81 VAL HA H 115 4.645 4.823 -0.178 1
1 664 . 1 1 1 A 81 81 VAL C C 115 174.934 172.619 2.315 1
1 665 . 1 1 1 A 81 81 VAL CA C 115 60.401 59.226 1.175 1
1 666 . 1 1 1 A 81 81 VAL CB C 115 32.142 35.620 -3.478 1
1 668 . 1 1 1 A 81 81 VAL N N 115 129.212 126.898 2.314 1
1 669 . 1 1 1 A 82 82 THR H H 116 8.661 8.689 -0.028 1
1 670 . 1 1 1 A 82 82 THR HA H 116 4.483 5.107 -0.624 1
1 673 . 1 1 1 A 82 82 THR C C 116 175.000 172.689 2.311 1
1 674 . 1 1 1 A 82 82 THR CA C 116 59.911 59.636 0.275 1
1 675 . 1 1 1 A 82 82 THR CB C 116 69.844 71.524 -1.680 1
1 677 . 1 1 1 A 82 82 THR N N 116 120.129 120.353 -0.224 1
1 678 . 1 1 1 A 83 83 PHE H H 117 9.153 8.654 0.499 1
1 679 . 1 1 1 A 83 83 PHE HA H 117 5.003 5.154 -0.151 1
1 681 . 1 1 1 A 83 83 PHE C C 117 177.126 172.037 5.089 1
1 682 . 1 1 1 A 83 83 PHE CA C 117 55.003 56.263 -1.260 1
1 683 . 1 1 1 A 83 83 PHE CB C 117 37.018 40.599 -3.581 1
1 684 . 1 1 1 A 83 83 PHE N N 117 123.251 121.031 2.220 1
1 685 . 1 1 1 A 84 84 ILE H H 118 8.882 9.287 -0.405 1
1 686 . 1 1 1 A 84 84 ILE HA H 118 4.320 5.133 -0.813 1
1 695 . 1 1 1 A 84 84 ILE C C 118 175.958 174.725 1.233 1
1 696 . 1 1 1 A 84 84 ILE CA C 118 60.275 59.262 1.013 1
1 697 . 1 1 1 A 84 84 ILE CB C 118 37.057 42.330 -5.273 1
1 700 . 1 1 1 A 84 84 ILE N N 118 122.450 121.077 1.373 1
1 701 . 1 1 1 A 85 85 GLY H H 119 8.198 8.144 0.054 1
1 702 . 1 1 1 A 85 85 GLY HA2 H 119 4.050 4.232 -0.182 1
1 703 . 1 1 1 A 85 85 GLY HA3 H 119 3.900 4.284 -0.384 1
1 704 . 1 1 1 A 85 85 GLY C C 119 172.376 171.470 0.906 1
1 705 . 1 1 1 A 85 85 GLY CA C 119 44.033 45.737 -1.704 1
1 706 . 1 1 1 A 85 85 GLY N N 119 112.995 113.812 -0.817 1
1 707 . 1 1 1 A 86 86 ASP H H 120 8.132 8.427 -0.295 1
1 708 . 1 1 1 A 86 86 ASP HA H 120 4.938 5.167 -0.229 1
1 711 . 1 1 1 A 86 86 ASP C C 120 175.418 174.208 1.210 1
1 712 . 1 1 1 A 86 86 ASP CA C 120 52.656 50.760 1.896 1
1 713 . 1 1 1 A 86 86 ASP CB C 120 40.163 44.395 -4.232 1
1 714 . 1 1 1 A 86 86 ASP N N 120 119.130 119.860 -0.730 1
1 715 . 1 1 1 A 87 87 PRO HA H 121 4.470 4.865 -0.395 1
1 719 . 1 1 1 A 87 87 PRO CA C 121 175.750 62.189 113.561 1
1 720 . 1 1 1 A 87 87 PRO CB C 121 62.414 32.413 30.001 1
1 723 . 1 1 1 A 87 87 PRO N N 121 49.700 140.395 -90.695 1
1 724 . 1 1 1 A 88 88 VAL H H 122 8.707 8.534 0.173 1
1 725 . 1 1 1 A 88 88 VAL HA H 122 4.400 4.739 -0.339 1
1 733 . 1 1 1 A 88 88 VAL C C 122 174.250 174.429 -0.179 1
1 734 . 1 1 1 A 88 88 VAL CA C 122 60.598 60.427 0.171 1
1 735 . 1 1 1 A 88 88 VAL CB C 122 34.847 35.888 -1.041 1
1 738 . 1 1 1 A 88 88 VAL N N 122 121.987 120.948 1.039 1
1 739 . 1 1 1 A 89 89 ASP H H 123 8.437 8.799 -0.362 1
1 740 . 1 1 1 A 89 89 ASP HA H 123 5.068 4.841 0.227 1
1 743 . 1 1 1 A 89 89 ASP C C 123 177.435 177.486 -0.051 1
1 744 . 1 1 1 A 89 89 ASP CA C 123 52.751 53.540 -0.789 1
1 745 . 1 1 1 A 89 89 ASP CB C 123 40.191 42.056 -1.865 1
1 746 . 1 1 1 A 89 89 ASP N N 123 125.856 125.337 0.519 1
1 747 . 1 1 1 A 90 90 LEU H H 124 8.793 9.381 -0.588 1
1 748 . 1 1 1 A 90 90 LEU HA H 124 4.047 4.087 -0.040 1
1 749 . 1 1 1 A 90 90 LEU CA C 124 56.836 57.176 -0.340 1
1 750 . 1 1 1 A 90 90 LEU CB C 124 41.301 43.520 -2.219 1
1 751 . 1 1 1 A 90 90 LEU N N 124 128.178 125.855 2.323 1
1 752 . 1 1 1 A 91 91 SER H H 125 8.927 8.045 0.882 1
1 753 . 1 1 1 A 91 91 SER HA H 125 4.287 4.485 -0.198 1
1 754 . 1 1 1 A 91 91 SER C C 125 173.984 173.796 0.188 1
1 755 . 1 1 1 A 91 91 SER CA C 125 58.498 60.447 -1.949 1
1 756 . 1 1 1 A 91 91 SER CB C 125 63.600 62.301 1.299 1
1 757 . 1 1 1 A 91 91 SER N N 125 115.226 113.779 1.447 1
1 758 . 1 1 1 A 92 92 GLY H H 126 8.250 8.515 -0.265 1
1 759 . 1 1 1 A 92 92 GLY HA2 H 126 3.950 3.874 0.076 1
1 760 . 1 1 1 A 92 92 GLY HA3 H 126 3.670 3.875 -0.205 1
1 761 . 1 1 1 A 92 92 GLY C C 126 174.700 174.778 -0.078 1
1 762 . 1 1 1 A 92 92 GLY CA C 126 45.900 47.222 -1.322 1
1 763 . 1 1 1 A 92 92 GLY N N 126 109.395 110.018 -0.623 1
1 764 . 1 1 1 A 94 94 GLN C C 128 174.459 175.196 -0.737 1
1 765 . 1 1 1 A 94 94 GLN CA C 128 56.434 56.891 -0.457 1
1 766 . 1 1 1 A 94 94 GLN CB C 128 25.491 25.993 -0.502 1
1 767 . 1 1 1 A 95 95 GLU H H 129 8.474 8.116 0.358 1
1 768 . 1 1 1 A 95 95 GLU HA H 129 4.596 4.497 0.099 1
1 772 . 1 1 1 A 95 95 GLU C C 129 177.559 175.931 1.628 1
1 773 . 1 1 1 A 95 95 GLU CA C 129 57.183 57.685 -0.502 1
1 774 . 1 1 1 A 95 95 GLU CB C 129 31.432 31.457 -0.025 1
1 775 . 1 1 1 A 95 95 GLU N N 129 115.145 118.508 -3.363 1
1 776 . 1 1 1 A 96 96 ILE H H 130 9.393 7.967 1.426 1
1 777 . 1 1 1 A 96 96 ILE HA H 130 4.660 4.764 -0.104 1
1 782 . 1 1 1 A 96 96 ILE C C 130 173.821 174.750 -0.929 1
1 783 . 1 1 1 A 96 96 ILE CA C 130 59.481 60.166 -0.685 1
1 784 . 1 1 1 A 96 96 ILE CB C 130 41.386 39.884 1.502 1
1 785 . 1 1 1 A 96 96 ILE N N 130 124.603 119.912 4.691 1
1 786 . 1 1 1 A 97 97 THR H H 131 9.341 8.805 0.536 1
1 787 . 1 1 1 A 97 97 THR HA H 131 5.135 4.965 0.170 1
1 790 . 1 1 1 A 97 97 THR C C 131 172.742 172.634 0.108 1
1 791 . 1 1 1 A 97 97 THR CA C 131 62.458 61.337 1.121 1
1 792 . 1 1 1 A 97 97 THR CB C 131 69.995 70.404 -0.409 1
1 794 . 1 1 1 A 97 97 THR N N 131 125.280 123.629 1.651 1
1 795 . 1 1 1 A 98 98 ARG H H 132 9.286 9.391 -0.105 1
1 796 . 1 1 1 A 98 98 ARG HA H 132 5.263 5.126 0.137 1
1 802 . 1 1 1 A 98 98 ARG C C 132 175.462 174.712 0.750 1
1 803 . 1 1 1 A 98 98 ARG CA C 132 53.122 54.542 -1.420 1
1 804 . 1 1 1 A 98 98 ARG CB C 132 32.555 33.391 -0.836 1
1 805 . 1 1 1 A 98 98 ARG N N 132 126.525 127.403 -0.878 1
1 806 . 1 1 1 A 99 99 ILE H H 133 9.338 9.252 0.086 1
1 807 . 1 1 1 A 99 99 ILE HA H 133 3.959 4.905 -0.946 1
1 816 . 1 1 1 A 99 99 ILE C C 133 173.860 175.375 -1.515 1
1 817 . 1 1 1 A 99 99 ILE CA C 133 59.719 59.440 0.279 1
1 818 . 1 1 1 A 99 99 ILE CB C 133 41.429 41.132 0.297 1
1 821 . 1 1 1 A 99 99 ILE N N 133 129.483 126.364 3.119 1
1 822 . 1 1 1 A 100 100 LYS H H 134 8.457 8.219 0.238 1
1 823 . 1 1 1 A 100 100 LYS HA H 134 4.990 5.050 -0.060 1
1 824 . 1 1 1 A 100 100 LYS C C 134 175.750 174.921 0.829 1
1 825 . 1 1 1 A 100 100 LYS CA C 134 54.548 54.540 0.008 1
1 826 . 1 1 1 A 100 100 LYS CB C 134 32.800 36.022 -3.222 1
1 827 . 1 1 1 A 100 100 LYS N N 134 128.506 123.955 4.551 1
1 828 . 1 1 1 A 101 101 GLY H H 135 8.968 8.202 0.766 1
1 829 . 1 1 1 A 101 101 GLY HA2 H 135 5.350 4.238 1.112 1
1 830 . 1 1 1 A 101 101 GLY HA3 H 135 3.290 4.414 -1.124 1
1 831 . 1 1 1 A 101 101 GLY C C 135 171.558 172.175 -0.617 1
1 832 . 1 1 1 A 101 101 GLY CA C 135 44.286 44.832 -0.546 1
1 833 . 1 1 1 A 101 101 GLY N N 135 110.167 107.265 2.902 1
1 834 . 1 1 1 A 102 102 LYS H H 136 9.158 9.344 -0.186 1
1 835 . 1 1 1 A 102 102 LYS C C 136 174.516 174.644 -0.128 1
1 836 . 1 1 1 A 102 102 LYS CA C 136 53.781 54.504 -0.723 1
1 837 . 1 1 1 A 102 102 LYS CB C 136 34.807 37.119 -2.312 1
1 838 . 1 1 1 A 102 102 LYS N N 136 119.838 117.707 2.131 1
1 839 . 1 1 1 A 103 103 GLU H H 137 8.711 8.988 -0.277 1
1 840 . 1 1 1 A 103 103 GLU HA H 137 4.709 5.152 -0.443 1
1 841 . 1 1 1 A 103 103 GLU C C 137 176.875 174.817 2.058 1
1 842 . 1 1 1 A 103 103 GLU CA C 137 56.833 54.672 2.161 1
1 843 . 1 1 1 A 103 103 GLU CB C 137 30.640 33.164 -2.524 1
1 844 . 1 1 1 A 103 103 GLU N N 137 124.293 119.481 4.812 1
1 845 . 1 1 1 A 104 104 ASP H H 138 9.334 9.019 0.315 1
1 846 . 1 1 1 A 104 104 ASP HA H 138 4.954 4.879 0.075 1
1 849 . 1 1 1 A 104 104 ASP C C 138 175.340 176.267 -0.927 1
1 850 . 1 1 1 A 104 104 ASP CA C 138 53.107 54.281 -1.174 1
1 851 . 1 1 1 A 104 104 ASP CB C 138 42.374 42.036 0.338 1
1 852 . 1 1 1 A 104 104 ASP N N 138 127.542 121.017 6.525 1
1 853 . 1 1 1 A 105 105 GLY H H 139 7.732 7.464 0.268 1
1 854 . 1 1 1 A 105 105 GLY HA2 H 139 4.360 4.028 0.332 1
1 855 . 1 1 1 A 105 105 GLY HA3 H 139 3.800 4.032 -0.232 1
1 856 . 1 1 1 A 105 105 GLY C C 139 172.374 171.879 0.495 1
1 857 . 1 1 1 A 105 105 GLY CA C 139 43.800 45.927 -2.127 1
1 858 . 1 1 1 A 105 105 GLY N N 139 106.466 102.820 3.646 1
1 859 . 1 1 1 A 106 106 ALA H H 140 8.191 8.137 0.054 1
1 860 . 1 1 1 A 106 106 ALA HA H 140 4.564 4.318 0.246 1
1 864 . 1 1 1 A 106 106 ALA C C 140 177.004 176.643 0.361 1
1 865 . 1 1 1 A 106 106 ALA CA C 140 51.406 50.835 0.571 1
1 866 . 1 1 1 A 106 106 ALA CB C 140 19.500 19.956 -0.456 1
1 867 . 1 1 1 A 106 106 ALA N N 140 120.674 121.647 -0.973 1
1 868 . 1 1 1 A 107 107 TYR H H 141 8.458 8.609 -0.151 1
1 869 . 1 1 1 A 107 107 TYR HA H 141 4.578 4.140 0.438 1
1 873 . 1 1 1 A 107 107 TYR C C 141 174.746 175.855 -1.109 1
1 874 . 1 1 1 A 107 107 TYR CA C 141 56.554 61.900 -5.346 1
1 875 . 1 1 1 A 107 107 TYR CB C 141 38.649 36.869 1.780 1
1 878 . 1 1 1 A 107 107 TYR N N 141 121.312 125.275 -3.963 1
1 879 . 1 1 1 A 108 108 VAL H H 142 7.941 8.266 -0.325 1
1 880 . 1 1 1 A 108 108 VAL HA H 142 4.008 4.460 -0.452 1
1 888 . 1 1 1 A 108 108 VAL C C 142 174.701 175.832 -1.131 1
1 889 . 1 1 1 A 108 108 VAL CA C 142 60.912 61.809 -0.897 1
1 890 . 1 1 1 A 108 108 VAL CB C 142 32.065 33.515 -1.450 1
1 893 . 1 1 1 A 108 108 VAL N N 142 125.257 114.937 10.320 1
1 9 . 2 1 1 A 2 2 TYR H H 36 7.537 8.201 -0.664 1
1 10 . 2 1 1 A 2 2 TYR HA H 36 3.945 4.549 -0.604 1
1 15 . 2 1 1 A 2 2 TYR C C 36 176.000 175.389 0.611 1
1 16 . 2 1 1 A 2 2 TYR CA C 36 57.871 59.234 -1.363 1
1 17 . 2 1 1 A 2 2 TYR CB C 36 37.248 38.278 -1.030 1
1 18 . 2 1 1 A 2 2 TYR N N 36 117.048 119.673 -2.625 1
1 19 . 2 1 1 A 3 3 GLU H H 37 7.718 8.727 -1.009 1
1 20 . 2 1 1 A 3 3 GLU HA H 37 4.025 3.983 0.042 1
1 24 . 2 1 1 A 3 3 GLU C C 37 176.100 175.168 0.932 1
1 25 . 2 1 1 A 3 3 GLU CA C 37 56.788 57.474 -0.686 1
1 26 . 2 1 1 A 3 3 GLU CB C 37 29.527 28.503 1.024 1
1 28 . 2 1 1 A 3 3 GLU N N 37 118.925 120.476 -1.551 1
1 29 . 2 1 1 A 4 4 GLU H H 38 7.866 7.566 0.300 1
1 30 . 2 1 1 A 4 4 GLU HA H 38 4.215 4.761 -0.546 1
1 35 . 2 1 1 A 4 4 GLU C C 38 176.205 173.674 2.531 1
1 36 . 2 1 1 A 4 4 GLU CA C 38 55.595 55.352 0.243 1
1 37 . 2 1 1 A 4 4 GLU CB C 38 29.162 32.076 -2.914 1
1 38 . 2 1 1 A 4 4 GLU N N 38 116.623 114.798 1.825 1
1 39 . 2 1 1 A 5 5 PHE H H 39 8.087 8.961 -0.874 1
1 40 . 2 1 1 A 5 5 PHE HA H 39 4.780 5.334 -0.554 1
1 46 . 2 1 1 A 5 5 PHE C C 39 176.758 173.899 2.859 1
1 47 . 2 1 1 A 5 5 PHE CA C 39 54.914 56.209 -1.295 1
1 48 . 2 1 1 A 5 5 PHE CB C 39 36.531 42.074 -5.543 1
1 49 . 2 1 1 A 5 5 PHE N N 39 121.852 123.862 -2.010 1
1 50 . 2 1 1 A 6 6 ARG HA H 40 4.515 5.015 -0.500 1
1 51 . 2 1 1 A 6 6 ARG C C 40 176.376 173.956 2.420 1
1 52 . 2 1 1 A 6 6 ARG CA C 40 56.288 54.584 1.704 1
1 53 . 2 1 1 A 6 6 ARG CB C 40 31.100 32.183 -1.083 1
1 54 . 2 1 1 A 7 7 ASP H H 41 8.851 8.700 0.151 1
1 55 . 2 1 1 A 7 7 ASP HA H 41 5.182 5.340 -0.158 1
1 57 . 2 1 1 A 7 7 ASP C C 41 175.379 174.436 0.943 1
1 58 . 2 1 1 A 7 7 ASP CA C 41 53.324 52.585 0.739 1
1 59 . 2 1 1 A 7 7 ASP CB C 41 44.292 45.390 -1.098 1
1 60 . 2 1 1 A 7 7 ASP N N 41 119.795 124.725 -4.930 1
1 61 . 2 1 1 A 8 8 VAL H H 42 8.580 8.408 0.172 1
1 62 . 2 1 1 A 8 8 VAL HA H 42 4.856 4.858 -0.002 1
1 70 . 2 1 1 A 8 8 VAL C C 42 175.170 175.261 -0.091 1
1 71 . 2 1 1 A 8 8 VAL CA C 42 61.398 61.074 0.324 1
1 72 . 2 1 1 A 8 8 VAL CB C 42 33.643 33.426 0.217 1
1 75 . 2 1 1 A 8 8 VAL N N 42 120.042 118.535 1.507 1
1 76 . 2 1 1 A 9 9 ILE H H 43 8.765 9.465 -0.700 1
1 77 . 2 1 1 A 9 9 ILE HA H 43 4.939 4.835 0.104 1
1 79 . 2 1 1 A 9 9 ILE C C 43 173.755 174.635 -0.880 1
1 80 . 2 1 1 A 9 9 ILE CA C 43 58.528 59.616 -1.088 1
1 81 . 2 1 1 A 9 9 ILE CB C 43 40.437 40.541 -0.104 1
1 82 . 2 1 1 A 9 9 ILE N N 43 117.778 127.744 -9.966 1
1 83 . 2 1 1 A 10 10 THR H H 44 7.834 8.201 -0.367 1
1 84 . 2 1 1 A 10 10 THR HA H 44 4.709 4.624 0.085 1
1 87 . 2 1 1 A 10 10 THR C C 44 173.691 173.524 0.167 1
1 88 . 2 1 1 A 10 10 THR CA C 44 61.662 61.547 0.115 1
1 89 . 2 1 1 A 10 10 THR CB C 44 70.906 69.629 1.277 1
1 91 . 2 1 1 A 10 10 THR N N 44 116.613 123.268 -6.655 1
1 92 . 2 1 1 A 11 11 PHE H H 45 8.821 8.833 -0.012 1
1 93 . 2 1 1 A 11 11 PHE HA H 45 4.807 5.046 -0.239 1
1 94 . 2 1 1 A 11 11 PHE C C 45 175.619 175.074 0.545 1
1 95 . 2 1 1 A 11 11 PHE CA C 45 57.779 56.122 1.657 1
1 96 . 2 1 1 A 11 11 PHE CB C 45 39.649 41.388 -1.739 1
1 97 . 2 1 1 A 11 11 PHE N N 45 125.155 125.340 -0.185 1
1 98 . 2 1 1 A 12 12 GLN H H 46 9.103 8.748 0.355 1
1 99 . 2 1 1 A 12 12 GLN HA H 46 5.573 5.471 0.102 1
1 103 . 2 1 1 A 12 12 GLN C C 46 175.011 175.377 -0.366 1
1 104 . 2 1 1 A 12 12 GLN CA C 46 54.423 54.405 0.018 1
1 105 . 2 1 1 A 12 12 GLN CB C 46 34.467 32.267 2.200 1
1 106 . 2 1 1 A 12 12 GLN N N 46 119.069 121.241 -2.172 1
1 107 . 2 1 1 A 13 13 SER H H 47 8.730 9.438 -0.708 1
1 108 . 2 1 1 A 13 13 SER HA H 47 5.229 5.639 -0.410 1
1 110 . 2 1 1 A 13 13 SER C C 47 171.559 172.193 -0.634 1
1 111 . 2 1 1 A 13 13 SER CA C 47 56.514 55.859 0.655 1
1 112 . 2 1 1 A 13 13 SER CB C 47 66.075 66.287 -0.212 1
1 113 . 2 1 1 A 13 13 SER N N 47 114.734 114.062 0.672 1
1 114 . 2 1 1 A 14 14 TYR H H 48 8.544 8.824 -0.280 1
1 115 . 2 1 1 A 14 14 TYR HA H 48 4.256 4.734 -0.478 1
1 120 . 2 1 1 A 14 14 TYR C C 48 175.437 174.128 1.309 1
1 121 . 2 1 1 A 14 14 TYR CA C 48 56.137 55.877 0.260 1
1 122 . 2 1 1 A 14 14 TYR CB C 48 36.242 40.341 -4.099 1
1 125 . 2 1 1 A 14 14 TYR N N 48 126.962 124.092 2.870 1
1 126 . 2 1 1 A 15 15 VAL H H 49 8.537 9.029 -0.492 1
1 127 . 2 1 1 A 15 15 VAL HA H 49 4.360 4.755 -0.395 1
1 132 . 2 1 1 A 15 15 VAL C C 49 174.600 174.820 -0.220 1
1 133 . 2 1 1 A 15 15 VAL CA C 49 62.600 60.226 2.374 1
1 134 . 2 1 1 A 15 15 VAL CB C 49 35.100 35.815 -0.715 1
1 136 . 2 1 1 A 15 15 VAL N N 49 123.837 127.493 -3.656 1
1 137 . 2 1 1 A 16 16 GLU H H 50 8.296 8.476 -0.180 1
1 138 . 2 1 1 A 16 16 GLU HA H 50 3.702 4.216 -0.514 1
1 142 . 2 1 1 A 16 16 GLU C C 50 175.947 175.171 0.776 1
1 143 . 2 1 1 A 16 16 GLU CA C 50 55.400 55.774 -0.374 1
1 144 . 2 1 1 A 16 16 GLU CB C 50 30.100 27.972 2.128 1
1 145 . 2 1 1 A 16 16 GLU N N 50 124.989 126.528 -1.539 1
1 146 . 2 1 1 A 17 17 GLN H H 51 8.529 7.660 0.869 1
1 147 . 2 1 1 A 17 17 GLN HA H 51 4.415 4.790 -0.375 1
1 151 . 2 1 1 A 17 17 GLN C C 51 175.122 174.581 0.541 1
1 152 . 2 1 1 A 17 17 GLN CA C 51 54.060 55.146 -1.086 1
1 153 . 2 1 1 A 17 17 GLN CB C 51 29.943 29.488 0.455 1
1 155 . 2 1 1 A 17 17 GLN N N 51 124.656 119.470 5.186 1
1 156 . 2 1 1 A 18 18 SER HA H 52 4.420 4.825 -0.405 1
1 157 . 2 1 1 A 18 18 SER C C 52 173.505 173.163 0.342 1
1 158 . 2 1 1 A 18 18 SER CA C 52 58.279 55.706 2.573 1
1 159 . 2 1 1 A 18 18 SER CB C 52 63.835 65.417 -1.582 1
1 160 . 2 1 1 A 19 19 ASN H H 53 8.109 8.250 -0.141 1
1 161 . 2 1 1 A 19 19 ASN HA H 53 4.399 5.128 -0.729 1
1 164 . 2 1 1 A 19 19 ASN C C 53 179.837 176.062 3.775 1
1 165 . 2 1 1 A 19 19 ASN CA C 53 54.664 51.985 2.679 1
1 166 . 2 1 1 A 19 19 ASN CB C 53 39.983 38.895 1.088 1
1 167 . 2 1 1 A 19 19 ASN N N 53 126.199 121.284 4.915 1
1 168 . 2 1 1 A 20 20 GLY H H 54 8.166 7.874 0.292 1
1 169 . 2 1 1 A 20 20 GLY HA2 H 54 3.911 3.968 -0.057 1
1 170 . 2 1 1 A 20 20 GLY C C 54 174.876 174.280 0.596 1
1 171 . 2 1 1 A 20 20 GLY CA C 54 45.206 45.499 -0.293 1
1 172 . 2 1 1 A 20 20 GLY N N 54 113.067 108.098 4.969 1
1 173 . 2 1 1 A 22 22 GLY CA C 56 45.279 46.686 -1.407 1
1 174 . 2 1 1 A 23 23 GLY H H 57 8.235 7.797 0.438 1
1 175 . 2 1 1 A 23 23 GLY HA2 H 57 3.929 4.113 -0.184 1
1 176 . 2 1 1 A 23 23 GLY C C 57 173.796 173.781 0.015 1
1 177 . 2 1 1 A 23 23 GLY CA C 57 45.348 44.941 0.407 1
1 178 . 2 1 1 A 23 23 GLY N N 57 108.389 108.488 -0.099 1
1 179 . 2 1 1 A 24 24 LYS HA H 58 4.804 4.478 0.326 1
1 180 . 2 1 1 A 24 24 LYS C C 58 175.908 174.902 1.006 1
1 181 . 2 1 1 A 24 24 LYS CA C 58 54.833 55.737 -0.904 1
1 182 . 2 1 1 A 24 24 LYS CB C 58 34.402 31.807 2.595 1
1 183 . 2 1 1 A 25 25 THR H H 59 8.413 7.997 0.416 1
1 184 . 2 1 1 A 25 25 THR HA H 59 4.482 4.645 -0.163 1
1 187 . 2 1 1 A 25 25 THR C C 59 171.934 171.927 0.007 1
1 188 . 2 1 1 A 25 25 THR CA C 59 60.144 59.808 0.336 1
1 189 . 2 1 1 A 25 25 THR CB C 59 71.035 70.450 0.585 1
1 191 . 2 1 1 A 25 25 THR N N 59 115.947 114.888 1.059 1
1 192 . 2 1 1 A 26 26 TYR H H 60 8.182 8.568 -0.386 1
1 193 . 2 1 1 A 26 26 TYR HA H 60 4.883 5.056 -0.173 1
1 198 . 2 1 1 A 26 26 TYR C C 60 173.593 173.956 -0.363 1
1 199 . 2 1 1 A 26 26 TYR CA C 60 54.043 56.161 -2.118 1
1 200 . 2 1 1 A 26 26 TYR CB C 60 40.100 40.589 -0.489 1
1 202 . 2 1 1 A 26 26 TYR N N 60 121.985 120.613 1.372 1
1 203 . 2 1 1 A 27 27 LYS H H 61 8.385 9.159 -0.774 1
1 204 . 2 1 1 A 27 27 LYS HA H 61 4.563 5.107 -0.544 1
1 205 . 2 1 1 A 27 27 LYS C C 61 174.186 174.906 -0.720 1
1 206 . 2 1 1 A 27 27 LYS CA C 61 54.589 54.511 0.078 1
1 207 . 2 1 1 A 27 27 LYS CB C 61 35.801 36.255 -0.454 1
1 208 . 2 1 1 A 27 27 LYS N N 61 120.203 123.002 -2.799 1
1 209 . 2 1 1 A 28 28 TRP H H 62 8.524 8.996 -0.472 1
1 210 . 2 1 1 A 28 28 TRP HA H 62 5.361 5.539 -0.178 1
1 215 . 2 1 1 A 28 28 TRP C C 62 176.934 176.690 0.244 1
1 216 . 2 1 1 A 28 28 TRP CA C 62 56.499 56.885 -0.386 1
1 217 . 2 1 1 A 28 28 TRP CB C 62 29.300 30.159 -0.859 1
1 218 . 2 1 1 A 28 28 TRP N N 62 122.913 127.048 -4.135 1
1 220 . 2 1 1 A 29 29 VAL H H 63 9.470 8.606 0.864 1
1 221 . 2 1 1 A 29 29 VAL HA H 63 4.626 4.970 -0.344 1
1 229 . 2 1 1 A 29 29 VAL C C 63 175.264 174.507 0.757 1
1 230 . 2 1 1 A 29 29 VAL CA C 63 59.163 59.077 0.086 1
1 231 . 2 1 1 A 29 29 VAL CB C 63 34.759 35.700 -0.941 1
1 234 . 2 1 1 A 29 29 VAL N N 63 120.454 118.043 2.411 1
1 235 . 2 1 1 A 30 30 ASP H H 64 8.576 8.806 -0.230 1
1 236 . 2 1 1 A 30 30 ASP HA H 64 4.386 4.765 -0.379 1
1 237 . 2 1 1 A 30 30 ASP C C 64 174.186 176.467 -2.281 1
1 238 . 2 1 1 A 30 30 ASP CA C 64 55.907 54.897 1.010 1
1 239 . 2 1 1 A 30 30 ASP CB C 64 39.942 40.981 -1.039 1
1 240 . 2 1 1 A 30 30 ASP N N 64 123.588 122.456 1.132 1
1 241 . 2 1 1 A 31 31 GLU H H 65 9.482 9.391 0.091 1
1 242 . 2 1 1 A 31 31 GLU HA H 65 4.674 4.403 0.271 1
1 246 . 2 1 1 A 31 31 GLU C C 65 176.000 176.464 -0.464 1
1 247 . 2 1 1 A 31 31 GLU CA C 65 57.263 58.403 -1.140 1
1 248 . 2 1 1 A 31 31 GLU CB C 65 30.200 31.218 -1.018 1
1 250 . 2 1 1 A 31 31 GLU N N 65 124.008 126.265 -2.257 1
1 251 . 2 1 1 A 32 32 PHE H H 66 7.257 7.438 -0.181 1
1 252 . 2 1 1 A 32 32 PHE HA H 66 4.940 5.103 -0.163 1
1 254 . 2 1 1 A 32 32 PHE C C 66 172.742 173.190 -0.448 1
1 255 . 2 1 1 A 32 32 PHE CA C 66 56.316 56.724 -0.408 1
1 256 . 2 1 1 A 32 32 PHE CB C 66 38.948 40.611 -1.663 1
1 257 . 2 1 1 A 32 32 PHE N N 66 110.866 113.315 -2.449 1
1 258 . 2 1 1 A 33 33 THR H H 67 8.603 8.702 -0.099 1
1 259 . 2 1 1 A 33 33 THR HA H 67 5.377 5.191 0.186 1
1 262 . 2 1 1 A 33 33 THR C C 67 173.388 173.240 0.148 1
1 263 . 2 1 1 A 33 33 THR CA C 67 60.207 60.978 -0.771 1
1 264 . 2 1 1 A 33 33 THR CB C 67 71.620 72.102 -0.482 1
1 266 . 2 1 1 A 33 33 THR N N 67 114.847 114.370 0.477 1
1 267 . 2 1 1 A 34 34 ALA H H 68 9.185 8.910 0.275 1
1 268 . 2 1 1 A 34 34 ALA HA H 68 4.873 5.003 -0.130 1
1 272 . 2 1 1 A 34 34 ALA C C 68 174.999 175.828 -0.829 1
1 273 . 2 1 1 A 34 34 ALA CA C 68 50.660 51.339 -0.679 1
1 274 . 2 1 1 A 34 34 ALA CB C 68 23.911 24.333 -0.422 1
1 275 . 2 1 1 A 34 34 ALA N N 68 125.817 125.353 0.464 1
1 276 . 2 1 1 A 35 35 ALA H H 69 8.347 8.582 -0.235 1
1 277 . 2 1 1 A 35 35 ALA HA H 69 4.889 5.088 -0.199 1
1 281 . 2 1 1 A 35 35 ALA C C 69 176.937 176.950 -0.013 1
1 282 . 2 1 1 A 35 35 ALA CA C 69 51.329 51.462 -0.133 1
1 283 . 2 1 1 A 35 35 ALA CB C 69 19.210 20.005 -0.795 1
1 284 . 2 1 1 A 35 35 ALA N N 69 122.342 122.459 -0.117 1
1 285 . 2 1 1 A 36 36 ALA H H 70 8.468 8.928 -0.460 1
1 286 . 2 1 1 A 36 36 ALA HA H 70 4.996 4.786 0.210 1
1 290 . 2 1 1 A 36 36 ALA C C 70 175.102 175.069 0.033 1
1 291 . 2 1 1 A 36 36 ALA CA C 70 50.876 51.534 -0.658 1
1 292 . 2 1 1 A 36 36 ALA CB C 70 23.556 23.376 0.180 1
1 293 . 2 1 1 A 36 36 ALA N N 70 120.267 125.329 -5.062 1
1 294 . 2 1 1 A 37 37 HIS H H 71 9.136 8.545 0.591 1
1 295 . 2 1 1 A 37 37 HIS HA H 71 5.343 5.585 -0.242 1
1 298 . 2 1 1 A 37 37 HIS C C 71 174.002 173.527 0.475 1
1 299 . 2 1 1 A 37 37 HIS CA C 71 54.803 54.007 0.796 1
1 300 . 2 1 1 A 37 37 HIS CB C 71 32.322 32.202 0.120 1
1 301 . 2 1 1 A 37 37 HIS N N 71 119.360 119.294 0.066 1
1 302 . 2 1 1 A 38 38 VAL H H 72 8.557 9.174 -0.617 1
1 303 . 2 1 1 A 38 38 VAL HA H 72 4.174 4.569 -0.395 1
1 311 . 2 1 1 A 38 38 VAL C C 72 174.000 174.920 -0.920 1
1 312 . 2 1 1 A 38 38 VAL CA C 72 61.587 61.776 -0.189 1
1 313 . 2 1 1 A 38 38 VAL CB C 72 31.381 33.570 -2.189 1
1 316 . 2 1 1 A 38 38 VAL N N 72 127.947 127.510 0.437 1
1 317 . 2 1 1 A 39 39 GLN H H 73 8.971 8.632 0.339 1
1 318 . 2 1 1 A 39 39 GLN HA H 73 5.019 4.824 0.195 1
1 321 . 2 1 1 A 39 39 GLN C C 73 173.260 173.049 0.211 1
1 322 . 2 1 1 A 39 39 GLN CA C 73 51.310 52.741 -1.431 1
1 323 . 2 1 1 A 39 39 GLN CB C 73 30.955 31.760 -0.805 1
1 324 . 2 1 1 A 39 39 GLN N N 73 127.985 124.037 3.948 1
1 325 . 2 1 1 A 40 40 PRO HA H 74 4.707 3.747 0.960 1
1 329 . 2 1 1 A 40 40 PRO C C 74 3.820 177.381 -173.561 1
1 330 . 2 1 1 A 40 40 PRO CA C 74 176.828 62.273 114.555 1
1 331 . 2 1 1 A 40 40 PRO CB C 74 62.215 32.052 30.163 1
1 333 . 2 1 1 A 40 40 PRO N N 74 50.800 136.921 -86.121 1
1 334 . 2 1 1 A 41 41 ILE H H 75 8.105 8.082 0.023 1
1 335 . 2 1 1 A 41 41 ILE HA H 75 4.074 3.747 0.327 1
1 338 . 2 1 1 A 41 41 ILE C C 75 175.881 176.416 -0.535 1
1 339 . 2 1 1 A 41 41 ILE CA C 75 61.399 60.897 0.502 1
1 340 . 2 1 1 A 41 41 ILE CB C 75 38.214 36.775 1.439 1
1 342 . 2 1 1 A 41 41 ILE N N 75 122.818 122.871 -0.053 1
1 343 . 2 1 1 A 43 43 GLN HA H 77 4.267 4.362 -0.095 1
1 344 . 2 1 1 A 43 43 GLN C C 77 176.255 175.742 0.513 1
1 345 . 2 1 1 A 43 43 GLN CA C 77 56.500 57.573 -1.073 1
1 346 . 2 1 1 A 43 43 GLN CB C 77 29.100 27.944 1.156 1
1 347 . 2 1 1 A 44 44 GLU H H 78 8.458 8.794 -0.336 1
1 348 . 2 1 1 A 44 44 GLU HA H 78 4.184 4.329 -0.145 1
1 351 . 2 1 1 A 44 44 GLU C C 78 177.000 176.634 0.366 1
1 352 . 2 1 1 A 44 44 GLU CA C 78 57.400 56.070 1.330 1
1 353 . 2 1 1 A 44 44 GLU CB C 78 29.148 29.730 -0.582 1
1 355 . 2 1 1 A 44 44 GLU N N 78 120.627 122.884 -2.257 1
1 356 . 2 1 1 A 45 45 GLU H H 79 8.283 8.181 0.102 1
1 357 . 2 1 1 A 45 45 GLU HA H 79 4.121 4.209 -0.088 1
1 360 . 2 1 1 A 45 45 GLU C C 79 176.972 176.191 0.781 1
1 361 . 2 1 1 A 45 45 GLU CA C 79 57.106 59.088 -1.982 1
1 362 . 2 1 1 A 45 45 GLU CB C 79 29.680 29.271 0.409 1
1 364 . 2 1 1 A 45 45 GLU N N 79 119.997 118.701 1.296 1
1 365 . 2 1 1 A 46 46 TYR H H 80 7.961 8.159 -0.198 1
1 366 . 2 1 1 A 46 46 TYR HA H 80 4.369 4.575 -0.206 1
1 369 . 2 1 1 A 46 46 TYR C C 80 176.086 175.340 0.746 1
1 370 . 2 1 1 A 46 46 TYR CA C 80 58.284 57.884 0.400 1
1 371 . 2 1 1 A 46 46 TYR CB C 80 38.214 39.178 -0.964 1
1 372 . 2 1 1 A 46 46 TYR N N 80 119.582 120.721 -1.139 1
1 373 . 2 1 1 A 47 47 TYR H H 81 7.918 7.161 0.757 1
1 374 . 2 1 1 A 47 47 TYR HA H 81 4.399 4.578 -0.179 1
1 378 . 2 1 1 A 47 47 TYR C C 81 176.566 175.462 1.104 1
1 379 . 2 1 1 A 47 47 TYR CA C 81 58.479 58.631 -0.152 1
1 380 . 2 1 1 A 47 47 TYR CB C 81 38.042 39.364 -1.322 1
1 381 . 2 1 1 A 47 47 TYR N N 81 119.336 122.188 -2.852 1
1 382 . 2 1 1 A 48 48 LYS HA H 82 4.090 4.426 -0.336 1
1 383 . 2 1 1 A 48 48 LYS C C 82 176.894 177.652 -0.758 1
1 384 . 2 1 1 A 48 48 LYS CA C 82 56.786 54.724 2.062 1
1 385 . 2 1 1 A 48 48 LYS CB C 82 32.306 32.923 -0.617 1
1 386 . 2 1 1 A 49 49 ALA H H 83 7.999 8.547 -0.548 1
1 387 . 2 1 1 A 49 49 ALA HA H 83 4.178 4.439 -0.261 1
1 391 . 2 1 1 A 49 49 ALA C C 83 178.193 176.649 1.544 1
1 392 . 2 1 1 A 49 49 ALA CA C 83 52.825 52.515 0.310 1
1 393 . 2 1 1 A 49 49 ALA CB C 83 18.200 19.741 -1.541 1
1 394 . 2 1 1 A 49 49 ALA N N 83 122.394 120.093 2.301 1
1 395 . 2 1 1 A 50 50 GLN H H 84 8.006 7.537 0.469 1
1 396 . 2 1 1 A 50 50 GLN HA H 84 4.167 4.726 -0.559 1
1 400 . 2 1 1 A 50 50 GLN C C 84 176.200 174.564 1.636 1
1 401 . 2 1 1 A 50 50 GLN CA C 84 56.016 55.548 0.468 1
1 402 . 2 1 1 A 50 50 GLN CB C 84 28.467 31.845 -3.378 1
1 404 . 2 1 1 A 50 50 GLN N N 84 116.623 117.153 -0.530 1
1 405 . 2 1 1 A 51 51 GLN H H 85 8.085 8.702 -0.617 1
1 406 . 2 1 1 A 51 51 GLN HA H 85 4.223 4.040 0.183 1
1 410 . 2 1 1 A 51 51 GLN CA C 85 56.393 56.957 -0.564 1
1 411 . 2 1 1 A 51 51 GLN CB C 85 28.600 26.542 2.058 1
1 413 . 2 1 1 A 51 51 GLN N N 85 118.681 119.002 -0.321 1
1 414 . 2 1 1 A 53 53 GLN HA H 87 4.268 4.347 -0.079 1
1 415 . 2 1 1 A 53 53 GLN C C 87 175.517 175.295 0.222 1
1 416 . 2 1 1 A 53 53 GLN CA C 87 55.821 55.888 -0.067 1
1 417 . 2 1 1 A 53 53 GLN CB C 87 28.296 28.289 0.007 1
1 418 . 2 1 1 A 54 54 THR H H 88 7.950 7.499 0.451 1
1 419 . 2 1 1 A 54 54 THR HA H 88 4.540 4.733 -0.193 1
1 422 . 2 1 1 A 54 54 THR C C 88 172.445 172.451 -0.006 1
1 423 . 2 1 1 A 54 54 THR CA C 88 59.184 59.174 0.010 1
1 424 . 2 1 1 A 54 54 THR CB C 88 69.534 72.144 -2.610 1
1 426 . 2 1 1 A 54 54 THR N N 88 116.337 114.618 1.719 1
1 427 . 2 1 1 A 55 55 PRO HA H 89 4.410 4.801 -0.391 1
1 431 . 2 1 1 A 55 55 PRO C C 89 3.600 176.871 -173.271 1
1 432 . 2 1 1 A 55 55 PRO CA C 89 176.508 62.490 114.018 1
1 433 . 2 1 1 A 55 55 PRO CB C 89 62.325 33.041 29.284 1
1 436 . 2 1 1 A 55 55 PRO N N 89 50.400 138.704 -88.304 1
1 437 . 2 1 1 A 56 56 ILE H H 90 8.247 8.744 -0.497 1
1 438 . 2 1 1 A 56 56 ILE HA H 90 3.993 4.258 -0.265 1
1 443 . 2 1 1 A 56 56 ILE C C 90 175.132 176.535 -1.403 1
1 444 . 2 1 1 A 56 56 ILE CA C 90 60.718 62.170 -1.452 1
1 445 . 2 1 1 A 56 56 ILE CB C 90 38.277 38.699 -0.422 1
1 447 . 2 1 1 A 56 56 ILE N N 90 121.921 119.787 2.134 1
1 448 . 2 1 1 A 57 57 GLY H H 91 7.820 7.255 0.565 1
1 449 . 2 1 1 A 57 57 GLY HA2 H 91 4.550 3.985 0.565 1
1 450 . 2 1 1 A 57 57 GLY HA3 H 91 3.640 4.089 -0.449 1
1 451 . 2 1 1 A 57 57 GLY C C 91 172.184 170.982 1.202 1
1 452 . 2 1 1 A 57 57 GLY CA C 91 43.575 45.666 -2.091 1
1 453 . 2 1 1 A 57 57 GLY N N 91 110.987 105.725 5.262 1
1 454 . 2 1 1 A 58 58 TYR H H 92 8.593 8.545 0.048 1
1 455 . 2 1 1 A 58 58 TYR HA H 92 5.166 5.370 -0.204 1
1 460 . 2 1 1 A 58 58 TYR C C 92 175.122 174.148 0.974 1
1 461 . 2 1 1 A 58 58 TYR CA C 92 56.544 56.621 -0.077 1
1 462 . 2 1 1 A 58 58 TYR CB C 92 43.819 42.583 1.236 1
1 465 . 2 1 1 A 58 58 TYR N N 92 116.307 120.293 -3.986 1
1 466 . 2 1 1 A 59 59 ASN H H 93 8.964 9.282 -0.318 1
1 467 . 2 1 1 A 59 59 ASN HA H 93 5.116 5.635 -0.519 1
1 470 . 2 1 1 A 59 59 ASN C C 93 173.457 173.653 -0.196 1
1 471 . 2 1 1 A 59 59 ASN CA C 93 52.717 51.824 0.893 1
1 472 . 2 1 1 A 59 59 ASN CB C 93 40.420 41.611 -1.191 1
1 473 . 2 1 1 A 59 59 ASN N N 93 119.232 121.349 -2.117 1
1 474 . 2 1 1 A 60 60 ILE H H 94 9.013 8.482 0.531 1
1 475 . 2 1 1 A 60 60 ILE HA H 94 4.383 4.859 -0.476 1
1 476 . 2 1 1 A 60 60 ILE C C 94 173.370 173.060 0.310 1
1 477 . 2 1 1 A 60 60 ILE CA C 94 60.231 59.523 0.708 1
1 478 . 2 1 1 A 60 60 ILE CB C 94 38.728 42.038 -3.310 1
1 479 . 2 1 1 A 60 60 ILE N N 94 123.021 124.751 -1.730 1
1 480 . 2 1 1 A 61 61 TYR H H 95 8.867 8.690 0.177 1
1 481 . 2 1 1 A 61 61 TYR HA H 95 5.279 6.075 -0.796 1
1 486 . 2 1 1 A 61 61 TYR C C 95 174.262 173.262 1.000 1
1 487 . 2 1 1 A 61 61 TYR CA C 95 55.732 55.423 0.309 1
1 488 . 2 1 1 A 61 61 TYR CB C 95 39.723 42.396 -2.673 1
1 491 . 2 1 1 A 61 61 TYR N N 95 125.343 123.042 2.301 1
1 492 . 2 1 1 A 62 62 THR H H 96 8.998 8.702 0.296 1
1 493 . 2 1 1 A 62 62 THR HA H 96 4.889 4.890 -0.001 1
1 496 . 2 1 1 A 62 62 THR C C 96 172.708 171.701 1.007 1
1 497 . 2 1 1 A 62 62 THR CA C 96 58.248 58.078 0.170 1
1 498 . 2 1 1 A 62 62 THR CB C 96 73.097 72.651 0.446 1
1 500 . 2 1 1 A 62 62 THR N N 96 119.223 116.772 2.451 1
1 501 . 2 1 1 A 63 63 PRO HA H 97 4.410 4.723 -0.313 1
1 503 . 2 1 1 A 63 63 PRO C C 97 3.190 177.683 -174.493 1
1 504 . 2 1 1 A 63 63 PRO CA C 97 175.250 63.355 111.895 1
1 505 . 2 1 1 A 63 63 PRO CB C 97 63.642 31.899 31.743 1
1 507 . 2 1 1 A 63 63 PRO N N 97 51.700 140.488 -88.788 1
1 508 . 2 1 1 A 64 64 TYR H H 98 7.826 9.125 -1.299 1
1 509 . 2 1 1 A 64 64 TYR HA H 98 4.265 4.307 -0.042 1
1 514 . 2 1 1 A 64 64 TYR C C 98 175.150 174.180 0.970 1
1 515 . 2 1 1 A 64 64 TYR CA C 98 59.434 59.529 -0.095 1
1 516 . 2 1 1 A 64 64 TYR CB C 98 37.240 37.712 -0.472 1
1 518 . 2 1 1 A 64 64 TYR N N 98 122.118 122.033 0.085 1
1 519 . 2 1 1 A 65 65 ASP H H 99 5.931 7.810 -1.879 1
1 520 . 2 1 1 A 65 65 ASP HA H 99 4.255 4.495 -0.240 1
1 523 . 2 1 1 A 65 65 ASP C C 99 176.079 175.371 0.708 1
1 524 . 2 1 1 A 65 65 ASP CA C 99 52.885 53.911 -1.026 1
1 525 . 2 1 1 A 65 65 ASP CB C 99 43.486 41.533 1.953 1
1 526 . 2 1 1 A 65 65 ASP N N 99 125.409 121.511 3.898 1
1 527 . 2 1 1 A 66 66 ASP H H 100 8.703 8.600 0.103 1
1 528 . 2 1 1 A 66 66 ASP HA H 100 4.058 4.863 -0.805 1
1 531 . 2 1 1 A 66 66 ASP C C 100 176.300 176.251 0.049 1
1 532 . 2 1 1 A 66 66 ASP CA C 100 55.332 53.802 1.530 1
1 533 . 2 1 1 A 66 66 ASP CB C 100 40.206 41.027 -0.821 1
1 534 . 2 1 1 A 66 66 ASP N N 100 128.295 124.571 3.724 1
1 535 . 2 1 1 A 67 67 ARG H H 101 8.832 7.524 1.308 1
1 536 . 2 1 1 A 67 67 ARG HA H 101 3.944 4.308 -0.364 1
1 538 . 2 1 1 A 67 67 ARG C C 101 177.624 177.456 0.168 1
1 539 . 2 1 1 A 67 67 ARG CA C 101 56.509 56.063 0.446 1
1 540 . 2 1 1 A 67 67 ARG CB C 101 31.162 31.039 0.123 1
1 541 . 2 1 1 A 67 67 ARG N N 101 117.507 118.680 -1.173 1
1 542 . 2 1 1 A 68 68 ILE H H 102 7.004 7.663 -0.659 1
1 543 . 2 1 1 A 68 68 ILE HA H 102 3.507 3.538 -0.031 1
1 548 . 2 1 1 A 68 68 ILE C C 102 174.835 175.965 -1.130 1
1 549 . 2 1 1 A 68 68 ILE CA C 102 63.638 64.257 -0.619 1
1 550 . 2 1 1 A 68 68 ILE CB C 102 36.617 36.900 -0.283 1
1 552 . 2 1 1 A 68 68 ILE N N 102 116.003 116.551 -0.548 1
1 553 . 2 1 1 A 69 69 ASP H H 103 8.026 7.995 0.031 1
1 554 . 2 1 1 A 69 69 ASP HA H 103 4.954 4.392 0.562 1
1 557 . 2 1 1 A 69 69 ASP C C 103 175.574 175.924 -0.350 1
1 558 . 2 1 1 A 69 69 ASP CA C 103 52.485 52.575 -0.090 1
1 559 . 2 1 1 A 69 69 ASP CB C 103 45.984 41.984 4.000 1
1 560 . 2 1 1 A 69 69 ASP N N 103 129.672 120.484 9.188 1
1 561 . 2 1 1 A 70 70 LYS H H 104 8.505 9.077 -0.572 1
1 562 . 2 1 1 A 70 70 LYS C C 104 175.300 175.623 -0.323 1
1 563 . 2 1 1 A 70 70 LYS CA C 104 58.027 57.179 0.848 1
1 564 . 2 1 1 A 70 70 LYS CB C 104 31.376 31.148 0.228 1
1 565 . 2 1 1 A 70 70 LYS N N 104 119.646 122.364 -2.718 1
1 566 . 2 1 1 A 71 71 LYS H H 105 8.653 8.337 0.316 1
1 567 . 2 1 1 A 71 71 LYS HA H 105 4.513 4.045 0.468 1
1 571 . 2 1 1 A 71 71 LYS C C 105 178.190 175.264 2.926 1
1 572 . 2 1 1 A 71 71 LYS CA C 105 56.415 57.871 -1.456 1
1 573 . 2 1 1 A 71 71 LYS CB C 105 30.942 32.167 -1.225 1
1 575 . 2 1 1 A 71 71 LYS N N 105 118.554 120.053 -1.499 1
1 576 . 2 1 1 A 72 72 MET H H 106 7.596 7.533 0.063 1
1 577 . 2 1 1 A 72 72 MET HA H 106 5.019 5.322 -0.303 1
1 578 . 2 1 1 A 72 72 MET C C 106 172.309 175.277 -2.968 1
1 579 . 2 1 1 A 72 72 MET CA C 106 56.500 54.397 2.103 1
1 580 . 2 1 1 A 72 72 MET CB C 106 34.892 36.006 -1.114 1
1 581 . 2 1 1 A 72 72 MET N N 106 119.949 119.163 0.786 1
1 582 . 2 1 1 A 73 73 ARG H H 107 8.266 8.719 -0.453 1
1 583 . 2 1 1 A 73 73 ARG HA H 107 4.075 5.023 -0.948 1
1 585 . 2 1 1 A 73 73 ARG C C 107 172.995 174.232 -1.237 1
1 586 . 2 1 1 A 73 73 ARG CA C 107 53.348 54.516 -1.168 1
1 587 . 2 1 1 A 73 73 ARG CB C 107 31.579 33.128 -1.549 1
1 588 . 2 1 1 A 73 73 ARG N N 107 112.423 122.963 -10.540 1
1 589 . 2 1 1 A 74 74 VAL H H 108 8.371 8.222 0.149 1
1 590 . 2 1 1 A 74 74 VAL HA H 108 4.954 4.497 0.457 1
1 598 . 2 1 1 A 74 74 VAL C C 108 173.137 173.179 -0.042 1
1 599 . 2 1 1 A 74 74 VAL CA C 108 58.400 59.163 -0.763 1
1 600 . 2 1 1 A 74 74 VAL CB C 108 35.700 35.472 0.228 1
1 603 . 2 1 1 A 74 74 VAL N N 108 117.751 124.271 -6.520 1
1 604 . 2 1 1 A 75 75 ILE H H 109 8.644 8.228 0.416 1
1 605 . 2 1 1 A 75 75 ILE HA H 109 4.772 4.485 0.287 1
1 610 . 2 1 1 A 75 75 ILE C C 109 176.377 174.147 2.230 1
1 611 . 2 1 1 A 75 75 ILE CA C 109 57.500 60.046 -2.546 1
1 612 . 2 1 1 A 75 75 ILE CB C 109 35.550 39.273 -3.723 1
1 614 . 2 1 1 A 75 75 ILE N N 109 122.741 126.367 -3.626 1
1 615 . 2 1 1 A 76 76 TYR H H 110 8.928 7.805 1.123 1
1 616 . 2 1 1 A 76 76 TYR HA H 110 4.873 4.733 0.140 1
1 621 . 2 1 1 A 76 76 TYR C C 110 173.400 175.649 -2.249 1
1 622 . 2 1 1 A 76 76 TYR CA C 110 54.699 57.111 -2.412 1
1 623 . 2 1 1 A 76 76 TYR CB C 110 40.392 38.240 2.152 1
1 626 . 2 1 1 A 76 76 TYR N N 110 129.091 128.335 0.756 1
1 627 . 2 1 1 A 77 77 ARG H H 111 9.206 9.619 -0.413 1
1 628 . 2 1 1 A 77 77 ARG HA H 111 3.537 3.989 -0.452 1
1 633 . 2 1 1 A 77 77 ARG C C 111 176.065 176.314 -0.249 1
1 634 . 2 1 1 A 77 77 ARG CA C 111 56.490 57.124 -0.634 1
1 635 . 2 1 1 A 77 77 ARG CB C 111 27.448 27.865 -0.417 1
1 636 . 2 1 1 A 77 77 ARG N N 111 126.774 126.831 -0.057 1
1 637 . 2 1 1 A 78 78 GLY H H 112 8.155 8.360 -0.205 1
1 638 . 2 1 1 A 78 78 GLY HA2 H 112 4.040 3.782 0.258 1
1 639 . 2 1 1 A 78 78 GLY HA3 H 112 3.540 3.821 -0.281 1
1 640 . 2 1 1 A 78 78 GLY C C 112 173.810 173.577 0.233 1
1 641 . 2 1 1 A 78 78 GLY CA C 112 45.284 45.365 -0.081 1
1 642 . 2 1 1 A 78 78 GLY N N 112 102.172 104.780 -2.608 1
1 643 . 2 1 1 A 79 79 LYS HA H 113 3.910 4.603 -0.693 1
1 644 . 2 1 1 A 79 79 LYS C C 113 174.750 175.151 -0.401 1
1 645 . 2 1 1 A 79 79 LYS CA C 113 53.808 54.899 -1.091 1
1 646 . 2 1 1 A 79 79 LYS CB C 113 33.298 34.688 -1.390 1
1 647 . 2 1 1 A 80 80 ILE H H 114 8.484 8.647 -0.163 1
1 648 . 2 1 1 A 80 80 ILE HA H 114 3.860 4.557 -0.697 1
1 653 . 2 1 1 A 80 80 ILE C C 114 174.732 174.925 -0.193 1
1 654 . 2 1 1 A 80 80 ILE CA C 114 61.130 60.252 0.878 1
1 655 . 2 1 1 A 80 80 ILE CB C 114 37.740 38.754 -1.014 1
1 657 . 2 1 1 A 80 80 ILE N N 114 121.186 122.862 -1.676 1
1 658 . 2 1 1 A 81 81 VAL H H 115 9.395 8.099 1.296 1
1 659 . 2 1 1 A 81 81 VAL HA H 115 4.645 4.632 0.013 1
1 664 . 2 1 1 A 81 81 VAL C C 115 174.934 173.471 1.463 1
1 665 . 2 1 1 A 81 81 VAL CA C 115 60.401 59.890 0.511 1
1 666 . 2 1 1 A 81 81 VAL CB C 115 32.142 35.607 -3.465 1
1 668 . 2 1 1 A 81 81 VAL N N 115 129.212 126.345 2.867 1
1 669 . 2 1 1 A 82 82 THR H H 116 8.661 8.656 0.005 1
1 670 . 2 1 1 A 82 82 THR HA H 116 4.483 5.311 -0.828 1
1 673 . 2 1 1 A 82 82 THR C C 116 175.000 172.395 2.605 1
1 674 . 2 1 1 A 82 82 THR CA C 116 59.911 59.369 0.542 1
1 675 . 2 1 1 A 82 82 THR CB C 116 69.844 71.872 -2.028 1
1 677 . 2 1 1 A 82 82 THR N N 116 120.129 118.258 1.871 1
1 678 . 2 1 1 A 83 83 PHE H H 117 9.153 8.995 0.158 1
1 679 . 2 1 1 A 83 83 PHE HA H 117 5.003 5.200 -0.197 1
1 681 . 2 1 1 A 83 83 PHE C C 117 177.126 172.865 4.261 1
1 682 . 2 1 1 A 83 83 PHE CA C 117 55.003 56.057 -1.054 1
1 683 . 2 1 1 A 83 83 PHE CB C 117 37.018 40.971 -3.953 1
1 684 . 2 1 1 A 83 83 PHE N N 117 123.251 120.783 2.468 1
1 685 . 2 1 1 A 84 84 ILE H H 118 8.882 8.616 0.266 1
1 686 . 2 1 1 A 84 84 ILE HA H 118 4.320 4.912 -0.592 1
1 695 . 2 1 1 A 84 84 ILE C C 118 175.958 174.838 1.120 1
1 696 . 2 1 1 A 84 84 ILE CA C 118 60.275 58.520 1.755 1
1 697 . 2 1 1 A 84 84 ILE CB C 118 37.057 41.265 -4.208 1
1 700 . 2 1 1 A 84 84 ILE N N 118 122.450 116.798 5.652 1
1 701 . 2 1 1 A 85 85 GLY H H 119 8.198 8.323 -0.125 1
1 702 . 2 1 1 A 85 85 GLY HA2 H 119 4.050 4.131 -0.081 1
1 703 . 2 1 1 A 85 85 GLY HA3 H 119 3.900 4.185 -0.285 1
1 704 . 2 1 1 A 85 85 GLY C C 119 172.376 170.986 1.390 1
1 705 . 2 1 1 A 85 85 GLY CA C 119 44.033 45.780 -1.747 1
1 706 . 2 1 1 A 85 85 GLY N N 119 112.995 109.156 3.839 1
1 707 . 2 1 1 A 86 86 ASP H H 120 8.132 8.611 -0.479 1
1 708 . 2 1 1 A 86 86 ASP HA H 120 4.938 5.094 -0.156 1
1 711 . 2 1 1 A 86 86 ASP C C 120 175.418 174.335 1.083 1
1 712 . 2 1 1 A 86 86 ASP CA C 120 52.656 51.653 1.003 1
1 713 . 2 1 1 A 86 86 ASP CB C 120 40.163 43.194 -3.031 1
1 714 . 2 1 1 A 86 86 ASP N N 120 119.130 120.135 -1.005 1
1 715 . 2 1 1 A 87 87 PRO HA H 121 4.470 4.930 -0.460 1
1 719 . 2 1 1 A 87 87 PRO CA C 121 175.750 62.113 113.637 1
1 720 . 2 1 1 A 87 87 PRO CB C 121 62.414 32.474 29.940 1
1 723 . 2 1 1 A 87 87 PRO N N 121 49.700 141.800 -92.100 1
1 724 . 2 1 1 A 88 88 VAL H H 122 8.707 8.098 0.609 1
1 725 . 2 1 1 A 88 88 VAL HA H 122 4.400 4.769 -0.369 1
1 733 . 2 1 1 A 88 88 VAL C C 122 174.250 174.292 -0.042 1
1 734 . 2 1 1 A 88 88 VAL CA C 122 60.598 60.453 0.145 1
1 735 . 2 1 1 A 88 88 VAL CB C 122 34.847 35.796 -0.949 1
1 738 . 2 1 1 A 88 88 VAL N N 122 121.987 121.661 0.326 1
1 739 . 2 1 1 A 89 89 ASP H H 123 8.437 8.661 -0.224 1
1 740 . 2 1 1 A 89 89 ASP HA H 123 5.068 5.069 -0.001 1
1 743 . 2 1 1 A 89 89 ASP C C 123 177.435 176.034 1.401 1
1 744 . 2 1 1 A 89 89 ASP CA C 123 52.751 53.242 -0.491 1
1 745 . 2 1 1 A 89 89 ASP CB C 123 40.191 41.626 -1.435 1
1 746 . 2 1 1 A 89 89 ASP N N 123 125.856 124.349 1.507 1
1 747 . 2 1 1 A 90 90 LEU H H 124 8.793 9.616 -0.823 1
1 748 . 2 1 1 A 90 90 LEU HA H 124 4.047 4.369 -0.322 1
1 749 . 2 1 1 A 90 90 LEU CA C 124 56.836 56.525 0.311 1
1 750 . 2 1 1 A 90 90 LEU CB C 124 41.301 43.677 -2.376 1
1 751 . 2 1 1 A 90 90 LEU N N 124 128.178 126.203 1.975 1
1 752 . 2 1 1 A 91 91 SER H H 125 8.927 7.638 1.289 1
1 753 . 2 1 1 A 91 91 SER HA H 125 4.287 4.525 -0.238 1
1 754 . 2 1 1 A 91 91 SER C C 125 173.984 173.940 0.044 1
1 755 . 2 1 1 A 91 91 SER CA C 125 58.498 58.949 -0.451 1
1 756 . 2 1 1 A 91 91 SER CB C 125 63.600 63.172 0.428 1
1 757 . 2 1 1 A 91 91 SER N N 125 115.226 112.010 3.216 1
1 758 . 2 1 1 A 92 92 GLY H H 126 8.250 8.439 -0.189 1
1 759 . 2 1 1 A 92 92 GLY HA2 H 126 3.950 3.985 -0.035 1
1 760 . 2 1 1 A 92 92 GLY HA3 H 126 3.670 3.988 -0.318 1
1 761 . 2 1 1 A 92 92 GLY C C 126 174.700 173.540 1.160 1
1 762 . 2 1 1 A 92 92 GLY CA C 126 45.900 45.904 -0.004 1
1 763 . 2 1 1 A 92 92 GLY N N 126 109.395 109.028 0.367 1
1 764 . 2 1 1 A 94 94 GLN C C 128 174.459 174.148 0.311 1
1 765 . 2 1 1 A 94 94 GLN CA C 128 56.434 53.864 2.570 1
1 766 . 2 1 1 A 94 94 GLN CB C 128 25.491 28.884 -3.393 1
1 767 . 2 1 1 A 95 95 GLU H H 129 8.474 8.449 0.025 1
1 768 . 2 1 1 A 95 95 GLU HA H 129 4.596 4.825 -0.229 1
1 772 . 2 1 1 A 95 95 GLU C C 129 177.559 175.412 2.147 1
1 773 . 2 1 1 A 95 95 GLU CA C 129 57.183 55.206 1.977 1
1 774 . 2 1 1 A 95 95 GLU CB C 129 31.432 30.354 1.078 1
1 775 . 2 1 1 A 95 95 GLU N N 129 115.145 119.025 -3.880 1
1 776 . 2 1 1 A 96 96 ILE H H 130 9.393 8.536 0.857 1
1 777 . 2 1 1 A 96 96 ILE HA H 130 4.660 4.857 -0.197 1
1 782 . 2 1 1 A 96 96 ILE C C 130 173.821 175.174 -1.353 1
1 783 . 2 1 1 A 96 96 ILE CA C 130 59.481 60.409 -0.928 1
1 784 . 2 1 1 A 96 96 ILE CB C 130 41.386 39.221 2.165 1
1 785 . 2 1 1 A 96 96 ILE N N 130 124.603 120.673 3.930 1
1 786 . 2 1 1 A 97 97 THR H H 131 9.341 8.829 0.512 1
1 787 . 2 1 1 A 97 97 THR HA H 131 5.135 4.971 0.164 1
1 790 . 2 1 1 A 97 97 THR C C 131 172.742 172.943 -0.201 1
1 791 . 2 1 1 A 97 97 THR CA C 131 62.458 61.703 0.755 1
1 792 . 2 1 1 A 97 97 THR CB C 131 69.995 70.084 -0.089 1
1 794 . 2 1 1 A 97 97 THR N N 131 125.280 121.638 3.642 1
1 795 . 2 1 1 A 98 98 ARG H H 132 9.286 8.733 0.553 1
1 796 . 2 1 1 A 98 98 ARG HA H 132 5.263 5.286 -0.023 1
1 802 . 2 1 1 A 98 98 ARG C C 132 175.462 174.250 1.212 1
1 803 . 2 1 1 A 98 98 ARG CA C 132 53.122 54.448 -1.326 1
1 804 . 2 1 1 A 98 98 ARG CB C 132 32.555 33.883 -1.328 1
1 805 . 2 1 1 A 98 98 ARG N N 132 126.525 128.196 -1.671 1
1 806 . 2 1 1 A 99 99 ILE H H 133 9.338 9.492 -0.154 1
1 807 . 2 1 1 A 99 99 ILE HA H 133 3.959 4.986 -1.027 1
1 816 . 2 1 1 A 99 99 ILE C C 133 173.860 173.414 0.446 1
1 817 . 2 1 1 A 99 99 ILE CA C 133 59.719 59.013 0.706 1
1 818 . 2 1 1 A 99 99 ILE CB C 133 41.429 42.314 -0.885 1
1 821 . 2 1 1 A 99 99 ILE N N 133 129.483 126.505 2.978 1
1 822 . 2 1 1 A 100 100 LYS H H 134 8.457 8.899 -0.442 1
1 823 . 2 1 1 A 100 100 LYS HA H 134 4.990 5.164 -0.174 1
1 824 . 2 1 1 A 100 100 LYS C C 134 175.750 175.371 0.379 1
1 825 . 2 1 1 A 100 100 LYS CA C 134 54.548 54.597 -0.049 1
1 826 . 2 1 1 A 100 100 LYS CB C 134 32.800 35.093 -2.293 1
1 827 . 2 1 1 A 100 100 LYS N N 134 128.506 127.023 1.483 1
1 828 . 2 1 1 A 101 101 GLY H H 135 8.968 9.056 -0.088 1
1 829 . 2 1 1 A 101 101 GLY HA2 H 135 5.350 4.298 1.052 1
1 830 . 2 1 1 A 101 101 GLY HA3 H 135 3.290 4.304 -1.014 1
1 831 . 2 1 1 A 101 101 GLY C C 135 171.558 171.948 -0.390 1
1 832 . 2 1 1 A 101 101 GLY CA C 135 44.286 44.570 -0.284 1
1 833 . 2 1 1 A 101 101 GLY N N 135 110.167 112.365 -2.198 1
1 834 . 2 1 1 A 102 102 LYS H H 136 9.158 9.010 0.148 1
1 835 . 2 1 1 A 102 102 LYS C C 136 174.516 174.546 -0.030 1
1 836 . 2 1 1 A 102 102 LYS CA C 136 53.781 54.941 -1.160 1
1 837 . 2 1 1 A 102 102 LYS CB C 136 34.807 36.222 -1.415 1
1 838 . 2 1 1 A 102 102 LYS N N 136 119.838 123.221 -3.383 1
1 839 . 2 1 1 A 103 103 GLU H H 137 8.711 9.549 -0.838 1
1 840 . 2 1 1 A 103 103 GLU HA H 137 4.709 4.799 -0.090 1
1 841 . 2 1 1 A 103 103 GLU C C 137 176.875 176.268 0.607 1
1 842 . 2 1 1 A 103 103 GLU CA C 137 56.833 55.061 1.772 1
1 843 . 2 1 1 A 103 103 GLU CB C 137 30.640 31.928 -1.288 1
1 844 . 2 1 1 A 103 103 GLU N N 137 124.293 125.442 -1.149 1
1 845 . 2 1 1 A 104 104 ASP H H 138 9.334 9.256 0.078 1
1 846 . 2 1 1 A 104 104 ASP HA H 138 4.954 4.606 0.348 1
1 849 . 2 1 1 A 104 104 ASP C C 138 175.340 175.321 0.019 1
1 850 . 2 1 1 A 104 104 ASP CA C 138 53.107 55.816 -2.709 1
1 851 . 2 1 1 A 104 104 ASP CB C 138 42.374 40.961 1.413 1
1 852 . 2 1 1 A 104 104 ASP N N 138 127.542 123.795 3.747 1
1 853 . 2 1 1 A 105 105 GLY H H 139 7.732 7.875 -0.143 1
1 854 . 2 1 1 A 105 105 GLY HA2 H 139 4.360 4.191 0.169 1
1 855 . 2 1 1 A 105 105 GLY HA3 H 139 3.800 4.250 -0.450 1
1 856 . 2 1 1 A 105 105 GLY C C 139 172.374 172.786 -0.412 1
1 857 . 2 1 1 A 105 105 GLY CA C 139 43.800 44.357 -0.557 1
1 858 . 2 1 1 A 105 105 GLY N N 139 106.466 106.346 0.120 1
1 859 . 2 1 1 A 106 106 ALA H H 140 8.191 8.220 -0.029 1
1 860 . 2 1 1 A 106 106 ALA HA H 140 4.564 4.168 0.396 1
1 864 . 2 1 1 A 106 106 ALA C C 140 177.004 175.440 1.564 1
1 865 . 2 1 1 A 106 106 ALA CA C 140 51.406 50.712 0.694 1
1 866 . 2 1 1 A 106 106 ALA CB C 140 19.500 17.743 1.757 1
1 867 . 2 1 1 A 106 106 ALA N N 140 120.674 122.900 -2.226 1
1 868 . 2 1 1 A 107 107 TYR H H 141 8.458 7.956 0.502 1
1 869 . 2 1 1 A 107 107 TYR HA H 141 4.578 5.040 -0.462 1
1 873 . 2 1 1 A 107 107 TYR C C 141 174.746 174.157 0.589 1
1 874 . 2 1 1 A 107 107 TYR CA C 141 56.554 56.514 0.040 1
1 875 . 2 1 1 A 107 107 TYR CB C 141 38.649 39.765 -1.116 1
1 878 . 2 1 1 A 107 107 TYR N N 141 121.312 118.525 2.787 1
1 879 . 2 1 1 A 108 108 VAL H H 142 7.941 8.918 -0.977 1
1 880 . 2 1 1 A 108 108 VAL HA H 142 4.008 5.209 -1.201 1
1 888 . 2 1 1 A 108 108 VAL C C 142 174.701 174.796 -0.095 1
1 889 . 2 1 1 A 108 108 VAL CA C 142 60.912 59.544 1.368 1
1 890 . 2 1 1 A 108 108 VAL CB C 142 32.065 35.209 -3.144 1
1 893 . 2 1 1 A 108 108 VAL N N 142 125.257 123.549 1.708 1
1 9 . 3 1 1 A 2 2 TYR H H 36 7.537 7.738 -0.201 1
1 10 . 3 1 1 A 2 2 TYR HA H 36 3.945 4.126 -0.181 1
1 15 . 3 1 1 A 2 2 TYR C C 36 176.000 175.588 0.412 1
1 16 . 3 1 1 A 2 2 TYR CA C 36 57.871 58.073 -0.202 1
1 17 . 3 1 1 A 2 2 TYR CB C 36 37.248 37.366 -0.118 1
1 18 . 3 1 1 A 2 2 TYR N N 36 117.048 119.382 -2.334 1
1 19 . 3 1 1 A 3 3 GLU H H 37 7.718 7.605 0.113 1
1 20 . 3 1 1 A 3 3 GLU HA H 37 4.025 4.501 -0.476 1
1 24 . 3 1 1 A 3 3 GLU C C 37 176.100 175.018 1.082 1
1 25 . 3 1 1 A 3 3 GLU CA C 37 56.788 55.507 1.281 1
1 26 . 3 1 1 A 3 3 GLU CB C 37 29.527 30.328 -0.801 1
1 28 . 3 1 1 A 3 3 GLU N N 37 118.925 120.653 -1.728 1
1 29 . 3 1 1 A 4 4 GLU H H 38 7.866 7.587 0.279 1
1 30 . 3 1 1 A 4 4 GLU HA H 38 4.215 4.661 -0.446 1
1 35 . 3 1 1 A 4 4 GLU C C 38 176.205 174.984 1.221 1
1 36 . 3 1 1 A 4 4 GLU CA C 38 55.595 54.976 0.619 1
1 37 . 3 1 1 A 4 4 GLU CB C 38 29.162 29.857 -0.695 1
1 38 . 3 1 1 A 4 4 GLU N N 38 116.623 123.713 -7.090 1
1 39 . 3 1 1 A 5 5 PHE H H 39 8.087 8.739 -0.652 1
1 40 . 3 1 1 A 5 5 PHE HA H 39 4.780 4.977 -0.197 1
1 46 . 3 1 1 A 5 5 PHE C C 39 176.758 175.733 1.025 1
1 47 . 3 1 1 A 5 5 PHE CA C 39 54.914 56.238 -1.324 1
1 48 . 3 1 1 A 5 5 PHE CB C 39 36.531 38.541 -2.010 1
1 49 . 3 1 1 A 5 5 PHE N N 39 121.852 124.931 -3.079 1
1 50 . 3 1 1 A 6 6 ARG HA H 40 4.515 4.485 0.030 1
1 51 . 3 1 1 A 6 6 ARG C C 40 176.376 175.618 0.758 1
1 52 . 3 1 1 A 6 6 ARG CA C 40 56.288 57.547 -1.259 1
1 53 . 3 1 1 A 6 6 ARG CB C 40 31.100 31.080 0.020 1
1 54 . 3 1 1 A 7 7 ASP H H 41 8.851 7.795 1.056 1
1 55 . 3 1 1 A 7 7 ASP HA H 41 5.182 5.208 -0.026 1
1 57 . 3 1 1 A 7 7 ASP C C 41 175.379 175.111 0.268 1
1 58 . 3 1 1 A 7 7 ASP CA C 41 53.324 52.420 0.904 1
1 59 . 3 1 1 A 7 7 ASP CB C 41 44.292 43.466 0.826 1
1 60 . 3 1 1 A 7 7 ASP N N 41 119.795 116.815 2.980 1
1 61 . 3 1 1 A 8 8 VAL H H 42 8.580 8.887 -0.307 1
1 62 . 3 1 1 A 8 8 VAL HA H 42 4.856 4.902 -0.046 1
1 70 . 3 1 1 A 8 8 VAL C C 42 175.170 175.106 0.064 1
1 71 . 3 1 1 A 8 8 VAL CA C 42 61.398 60.574 0.824 1
1 72 . 3 1 1 A 8 8 VAL CB C 42 33.643 33.548 0.095 1
1 75 . 3 1 1 A 8 8 VAL N N 42 120.042 117.596 2.446 1
1 76 . 3 1 1 A 9 9 ILE H H 43 8.765 8.973 -0.208 1
1 77 . 3 1 1 A 9 9 ILE HA H 43 4.939 4.945 -0.006 1
1 79 . 3 1 1 A 9 9 ILE C C 43 173.755 174.111 -0.356 1
1 80 . 3 1 1 A 9 9 ILE CA C 43 58.528 58.853 -0.325 1
1 81 . 3 1 1 A 9 9 ILE CB C 43 40.437 41.794 -1.357 1
1 82 . 3 1 1 A 9 9 ILE N N 43 117.778 123.647 -5.869 1
1 83 . 3 1 1 A 10 10 THR H H 44 7.834 7.849 -0.015 1
1 84 . 3 1 1 A 10 10 THR HA H 44 4.709 4.471 0.238 1
1 87 . 3 1 1 A 10 10 THR C C 44 173.691 173.706 -0.015 1
1 88 . 3 1 1 A 10 10 THR CA C 44 61.662 61.279 0.383 1
1 89 . 3 1 1 A 10 10 THR CB C 44 70.906 69.357 1.549 1
1 91 . 3 1 1 A 10 10 THR N N 44 116.613 116.780 -0.167 1
1 92 . 3 1 1 A 11 11 PHE H H 45 8.821 8.411 0.410 1
1 93 . 3 1 1 A 11 11 PHE HA H 45 4.807 5.110 -0.303 1
1 94 . 3 1 1 A 11 11 PHE C C 45 175.619 175.257 0.362 1
1 95 . 3 1 1 A 11 11 PHE CA C 45 57.779 56.154 1.625 1
1 96 . 3 1 1 A 11 11 PHE CB C 45 39.649 41.011 -1.362 1
1 97 . 3 1 1 A 11 11 PHE N N 45 125.155 126.003 -0.848 1
1 98 . 3 1 1 A 12 12 GLN H H 46 9.103 8.642 0.461 1
1 99 . 3 1 1 A 12 12 GLN HA H 46 5.573 5.243 0.330 1
1 103 . 3 1 1 A 12 12 GLN C C 46 175.011 174.789 0.222 1
1 104 . 3 1 1 A 12 12 GLN CA C 46 54.423 54.450 -0.027 1
1 105 . 3 1 1 A 12 12 GLN CB C 46 34.467 32.303 2.164 1
1 106 . 3 1 1 A 12 12 GLN N N 46 119.069 122.009 -2.940 1
1 107 . 3 1 1 A 13 13 SER H H 47 8.730 8.647 0.083 1
1 108 . 3 1 1 A 13 13 SER HA H 47 5.229 5.179 0.050 1
1 110 . 3 1 1 A 13 13 SER C C 47 171.559 172.218 -0.659 1
1 111 . 3 1 1 A 13 13 SER CA C 47 56.514 57.453 -0.939 1
1 112 . 3 1 1 A 13 13 SER CB C 47 66.075 66.308 -0.233 1
1 113 . 3 1 1 A 13 13 SER N N 47 114.734 116.307 -1.573 1
1 114 . 3 1 1 A 14 14 TYR H H 48 8.544 8.688 -0.144 1
1 115 . 3 1 1 A 14 14 TYR HA H 48 4.256 4.851 -0.595 1
1 120 . 3 1 1 A 14 14 TYR C C 48 175.437 173.148 2.289 1
1 121 . 3 1 1 A 14 14 TYR CA C 48 56.137 55.627 0.510 1
1 122 . 3 1 1 A 14 14 TYR CB C 48 36.242 40.859 -4.617 1
1 125 . 3 1 1 A 14 14 TYR N N 48 126.962 125.453 1.509 1
1 126 . 3 1 1 A 15 15 VAL H H 49 8.537 8.677 -0.140 1
1 127 . 3 1 1 A 15 15 VAL HA H 49 4.360 4.852 -0.492 1
1 132 . 3 1 1 A 15 15 VAL C C 49 174.600 174.374 0.226 1
1 133 . 3 1 1 A 15 15 VAL CA C 49 62.600 59.455 3.145 1
1 134 . 3 1 1 A 15 15 VAL CB C 49 35.100 34.305 0.795 1
1 136 . 3 1 1 A 15 15 VAL N N 49 123.837 127.872 -4.035 1
1 137 . 3 1 1 A 16 16 GLU H H 50 8.296 8.794 -0.498 1
1 138 . 3 1 1 A 16 16 GLU HA H 50 3.702 4.909 -1.207 1
1 142 . 3 1 1 A 16 16 GLU C C 50 175.947 174.122 1.825 1
1 143 . 3 1 1 A 16 16 GLU CA C 50 55.400 54.721 0.679 1
1 144 . 3 1 1 A 16 16 GLU CB C 50 30.100 32.980 -2.880 1
1 145 . 3 1 1 A 16 16 GLU N N 50 124.989 125.510 -0.521 1
1 146 . 3 1 1 A 17 17 GLN H H 51 8.529 8.366 0.163 1
1 147 . 3 1 1 A 17 17 GLN HA H 51 4.415 4.472 -0.057 1
1 151 . 3 1 1 A 17 17 GLN C C 51 175.122 174.710 0.412 1
1 152 . 3 1 1 A 17 17 GLN CA C 51 54.060 55.737 -1.677 1
1 153 . 3 1 1 A 17 17 GLN CB C 51 29.943 32.764 -2.821 1
1 155 . 3 1 1 A 17 17 GLN N N 51 124.656 120.014 4.642 1
1 156 . 3 1 1 A 18 18 SER HA H 52 4.420 4.544 -0.124 1
1 157 . 3 1 1 A 18 18 SER C C 52 173.505 174.787 -1.282 1
1 158 . 3 1 1 A 18 18 SER CA C 52 58.279 57.716 0.563 1
1 159 . 3 1 1 A 18 18 SER CB C 52 63.835 62.531 1.304 1
1 160 . 3 1 1 A 19 19 ASN H H 53 8.109 8.693 -0.584 1
1 161 . 3 1 1 A 19 19 ASN HA H 53 4.399 4.928 -0.529 1
1 164 . 3 1 1 A 19 19 ASN C C 53 179.837 175.605 4.232 1
1 165 . 3 1 1 A 19 19 ASN CA C 53 54.664 54.345 0.319 1
1 166 . 3 1 1 A 19 19 ASN CB C 53 39.983 38.334 1.649 1
1 167 . 3 1 1 A 19 19 ASN N N 53 126.199 118.803 7.396 1
1 168 . 3 1 1 A 20 20 GLY H H 54 8.166 8.616 -0.450 1
1 169 . 3 1 1 A 20 20 GLY HA2 H 54 3.911 3.813 0.098 1
1 170 . 3 1 1 A 20 20 GLY C C 54 174.876 174.885 -0.009 1
1 171 . 3 1 1 A 20 20 GLY CA C 54 45.206 47.267 -2.061 1
1 172 . 3 1 1 A 20 20 GLY N N 54 113.067 106.908 6.159 1
1 173 . 3 1 1 A 22 22 GLY CA C 56 45.279 45.721 -0.442 1
1 174 . 3 1 1 A 23 23 GLY H H 57 8.235 8.536 -0.301 1
1 175 . 3 1 1 A 23 23 GLY HA2 H 57 3.929 4.086 -0.157 1
1 176 . 3 1 1 A 23 23 GLY C C 57 173.796 174.350 -0.554 1
1 177 . 3 1 1 A 23 23 GLY CA C 57 45.348 46.606 -1.258 1
1 178 . 3 1 1 A 23 23 GLY N N 57 108.389 107.555 0.834 1
1 179 . 3 1 1 A 24 24 LYS HA H 58 4.804 4.493 0.311 1
1 180 . 3 1 1 A 24 24 LYS C C 58 175.908 175.449 0.459 1
1 181 . 3 1 1 A 24 24 LYS CA C 58 54.833 55.844 -1.011 1
1 182 . 3 1 1 A 24 24 LYS CB C 58 34.402 33.072 1.330 1
1 183 . 3 1 1 A 25 25 THR H H 59 8.413 7.421 0.992 1
1 184 . 3 1 1 A 25 25 THR HA H 59 4.482 4.636 -0.154 1
1 187 . 3 1 1 A 25 25 THR C C 59 171.934 172.202 -0.268 1
1 188 . 3 1 1 A 25 25 THR CA C 59 60.144 61.040 -0.896 1
1 189 . 3 1 1 A 25 25 THR CB C 59 71.035 73.146 -2.111 1
1 191 . 3 1 1 A 25 25 THR N N 59 115.947 113.898 2.049 1
1 192 . 3 1 1 A 26 26 TYR H H 60 8.182 8.600 -0.418 1
1 193 . 3 1 1 A 26 26 TYR HA H 60 4.883 5.187 -0.304 1
1 198 . 3 1 1 A 26 26 TYR C C 60 173.593 174.344 -0.751 1
1 199 . 3 1 1 A 26 26 TYR CA C 60 54.043 56.423 -2.380 1
1 200 . 3 1 1 A 26 26 TYR CB C 60 40.100 42.911 -2.811 1
1 202 . 3 1 1 A 26 26 TYR N N 60 121.985 123.917 -1.932 1
1 203 . 3 1 1 A 27 27 LYS H H 61 8.385 8.655 -0.270 1
1 204 . 3 1 1 A 27 27 LYS HA H 61 4.563 5.268 -0.705 1
1 205 . 3 1 1 A 27 27 LYS C C 61 174.186 175.084 -0.898 1
1 206 . 3 1 1 A 27 27 LYS CA C 61 54.589 54.868 -0.279 1
1 207 . 3 1 1 A 27 27 LYS CB C 61 35.801 35.228 0.573 1
1 208 . 3 1 1 A 27 27 LYS N N 61 120.203 121.428 -1.225 1
1 209 . 3 1 1 A 28 28 TRP H H 62 8.524 9.207 -0.683 1
1 210 . 3 1 1 A 28 28 TRP HA H 62 5.361 5.412 -0.051 1
1 215 . 3 1 1 A 28 28 TRP C C 62 176.934 176.376 0.558 1
1 216 . 3 1 1 A 28 28 TRP CA C 62 56.499 55.643 0.856 1
1 217 . 3 1 1 A 28 28 TRP CB C 62 29.300 31.359 -2.059 1
1 218 . 3 1 1 A 28 28 TRP N N 62 122.913 128.020 -5.107 1
1 220 . 3 1 1 A 29 29 VAL H H 63 9.470 8.890 0.580 1
1 221 . 3 1 1 A 29 29 VAL HA H 63 4.626 5.081 -0.455 1
1 229 . 3 1 1 A 29 29 VAL C C 63 175.264 173.867 1.397 1
1 230 . 3 1 1 A 29 29 VAL CA C 63 59.163 59.042 0.121 1
1 231 . 3 1 1 A 29 29 VAL CB C 63 34.759 35.589 -0.830 1
1 234 . 3 1 1 A 29 29 VAL N N 63 120.454 117.694 2.760 1
1 235 . 3 1 1 A 30 30 ASP H H 64 8.576 8.784 -0.208 1
1 236 . 3 1 1 A 30 30 ASP HA H 64 4.386 4.840 -0.454 1
1 237 . 3 1 1 A 30 30 ASP C C 64 174.186 176.234 -2.048 1
1 238 . 3 1 1 A 30 30 ASP CA C 64 55.907 53.262 2.645 1
1 239 . 3 1 1 A 30 30 ASP CB C 64 39.942 40.812 -0.870 1
1 240 . 3 1 1 A 30 30 ASP N N 64 123.588 124.145 -0.557 1
1 241 . 3 1 1 A 31 31 GLU H H 65 9.482 9.112 0.370 1
1 242 . 3 1 1 A 31 31 GLU HA H 65 4.674 4.336 0.338 1
1 246 . 3 1 1 A 31 31 GLU C C 65 176.000 176.405 -0.405 1
1 247 . 3 1 1 A 31 31 GLU CA C 65 57.263 58.856 -1.593 1
1 248 . 3 1 1 A 31 31 GLU CB C 65 30.200 30.929 -0.729 1
1 250 . 3 1 1 A 31 31 GLU N N 65 124.008 126.670 -2.662 1
1 251 . 3 1 1 A 32 32 PHE H H 66 7.257 7.389 -0.132 1
1 252 . 3 1 1 A 32 32 PHE HA H 66 4.940 5.136 -0.196 1
1 254 . 3 1 1 A 32 32 PHE C C 66 172.742 173.174 -0.432 1
1 255 . 3 1 1 A 32 32 PHE CA C 66 56.316 56.568 -0.252 1
1 256 . 3 1 1 A 32 32 PHE CB C 66 38.948 40.620 -1.672 1
1 257 . 3 1 1 A 32 32 PHE N N 66 110.866 112.863 -1.997 1
1 258 . 3 1 1 A 33 33 THR H H 67 8.603 8.794 -0.191 1
1 259 . 3 1 1 A 33 33 THR HA H 67 5.377 4.955 0.422 1
1 262 . 3 1 1 A 33 33 THR C C 67 173.388 173.401 -0.013 1
1 263 . 3 1 1 A 33 33 THR CA C 67 60.207 60.247 -0.040 1
1 264 . 3 1 1 A 33 33 THR CB C 67 71.620 71.029 0.591 1
1 266 . 3 1 1 A 33 33 THR N N 67 114.847 112.194 2.653 1
1 267 . 3 1 1 A 34 34 ALA H H 68 9.185 8.161 1.024 1
1 268 . 3 1 1 A 34 34 ALA HA H 68 4.873 4.818 0.055 1
1 272 . 3 1 1 A 34 34 ALA C C 68 174.999 175.752 -0.753 1
1 273 . 3 1 1 A 34 34 ALA CA C 68 50.660 51.347 -0.687 1
1 274 . 3 1 1 A 34 34 ALA CB C 68 23.911 23.755 0.156 1
1 275 . 3 1 1 A 34 34 ALA N N 68 125.817 123.640 2.177 1
1 276 . 3 1 1 A 35 35 ALA H H 69 8.347 8.379 -0.032 1
1 277 . 3 1 1 A 35 35 ALA HA H 69 4.889 4.815 0.074 1
1 281 . 3 1 1 A 35 35 ALA C C 69 176.937 176.697 0.240 1
1 282 . 3 1 1 A 35 35 ALA CA C 69 51.329 51.300 0.029 1
1 283 . 3 1 1 A 35 35 ALA CB C 69 19.210 20.213 -1.003 1
1 284 . 3 1 1 A 35 35 ALA N N 69 122.342 122.333 0.009 1
1 285 . 3 1 1 A 36 36 ALA H H 70 8.468 8.457 0.011 1
1 286 . 3 1 1 A 36 36 ALA HA H 70 4.996 3.926 1.070 1
1 290 . 3 1 1 A 36 36 ALA C C 70 175.102 175.025 0.077 1
1 291 . 3 1 1 A 36 36 ALA CA C 70 50.876 51.241 -0.365 1
1 292 . 3 1 1 A 36 36 ALA CB C 70 23.556 23.404 0.152 1
1 293 . 3 1 1 A 36 36 ALA N N 70 120.267 124.503 -4.236 1
1 294 . 3 1 1 A 37 37 HIS H H 71 9.136 8.729 0.407 1
1 295 . 3 1 1 A 37 37 HIS HA H 71 5.343 5.528 -0.185 1
1 298 . 3 1 1 A 37 37 HIS C C 71 174.002 173.567 0.435 1
1 299 . 3 1 1 A 37 37 HIS CA C 71 54.803 53.690 1.113 1
1 300 . 3 1 1 A 37 37 HIS CB C 71 32.322 32.560 -0.238 1
1 301 . 3 1 1 A 37 37 HIS N N 71 119.360 119.688 -0.328 1
1 302 . 3 1 1 A 38 38 VAL H H 72 8.557 9.344 -0.787 1
1 303 . 3 1 1 A 38 38 VAL HA H 72 4.174 4.952 -0.778 1
1 311 . 3 1 1 A 38 38 VAL C C 72 174.000 174.980 -0.980 1
1 312 . 3 1 1 A 38 38 VAL CA C 72 61.587 61.822 -0.235 1
1 313 . 3 1 1 A 38 38 VAL CB C 72 31.381 32.745 -1.364 1
1 316 . 3 1 1 A 38 38 VAL N N 72 127.947 128.937 -0.990 1
1 317 . 3 1 1 A 39 39 GLN H H 73 8.971 9.008 -0.037 1
1 318 . 3 1 1 A 39 39 GLN HA H 73 5.019 5.110 -0.091 1
1 321 . 3 1 1 A 39 39 GLN C C 73 173.260 172.906 0.354 1
1 322 . 3 1 1 A 39 39 GLN CA C 73 51.310 53.140 -1.830 1
1 323 . 3 1 1 A 39 39 GLN CB C 73 30.955 31.842 -0.887 1
1 324 . 3 1 1 A 39 39 GLN N N 73 127.985 124.365 3.620 1
1 325 . 3 1 1 A 40 40 PRO HA H 74 4.707 3.558 1.149 1
1 329 . 3 1 1 A 40 40 PRO C C 74 3.820 176.947 -173.127 1
1 330 . 3 1 1 A 40 40 PRO CA C 74 176.828 62.092 114.736 1
1 331 . 3 1 1 A 40 40 PRO CB C 74 62.215 32.075 30.140 1
1 333 . 3 1 1 A 40 40 PRO N N 74 50.800 136.464 -85.664 1
1 334 . 3 1 1 A 41 41 ILE H H 75 8.105 8.740 -0.635 1
1 335 . 3 1 1 A 41 41 ILE HA H 75 4.074 4.172 -0.098 1
1 338 . 3 1 1 A 41 41 ILE C C 75 175.881 175.195 0.686 1
1 339 . 3 1 1 A 41 41 ILE CA C 75 61.399 60.819 0.580 1
1 340 . 3 1 1 A 41 41 ILE CB C 75 38.214 37.217 0.997 1
1 342 . 3 1 1 A 41 41 ILE N N 75 122.818 121.566 1.252 1
1 343 . 3 1 1 A 43 43 GLN HA H 77 4.267 4.486 -0.219 1
1 344 . 3 1 1 A 43 43 GLN C C 77 176.255 176.807 -0.552 1
1 345 . 3 1 1 A 43 43 GLN CA C 77 56.500 55.621 0.879 1
1 346 . 3 1 1 A 43 43 GLN CB C 77 29.100 28.878 0.222 1
1 347 . 3 1 1 A 44 44 GLU H H 78 8.458 8.002 0.456 1
1 348 . 3 1 1 A 44 44 GLU HA H 78 4.184 4.393 -0.209 1
1 351 . 3 1 1 A 44 44 GLU C C 78 177.000 175.758 1.242 1
1 352 . 3 1 1 A 44 44 GLU CA C 78 57.400 56.952 0.448 1
1 353 . 3 1 1 A 44 44 GLU CB C 78 29.148 29.886 -0.738 1
1 355 . 3 1 1 A 44 44 GLU N N 78 120.627 119.593 1.034 1
1 356 . 3 1 1 A 45 45 GLU H H 79 8.283 7.519 0.764 1
1 357 . 3 1 1 A 45 45 GLU HA H 79 4.121 4.575 -0.454 1
1 360 . 3 1 1 A 45 45 GLU C C 79 176.972 175.371 1.601 1
1 361 . 3 1 1 A 45 45 GLU CA C 79 57.106 55.367 1.739 1
1 362 . 3 1 1 A 45 45 GLU CB C 79 29.680 32.879 -3.199 1
1 364 . 3 1 1 A 45 45 GLU N N 79 119.997 119.785 0.212 1
1 365 . 3 1 1 A 46 46 TYR H H 80 7.961 8.049 -0.088 1
1 366 . 3 1 1 A 46 46 TYR HA H 80 4.369 4.589 -0.220 1
1 369 . 3 1 1 A 46 46 TYR C C 80 176.086 175.265 0.821 1
1 370 . 3 1 1 A 46 46 TYR CA C 80 58.284 58.364 -0.080 1
1 371 . 3 1 1 A 46 46 TYR CB C 80 38.214 39.221 -1.007 1
1 372 . 3 1 1 A 46 46 TYR N N 80 119.582 123.161 -3.579 1
1 373 . 3 1 1 A 47 47 TYR H H 81 7.918 7.211 0.707 1
1 374 . 3 1 1 A 47 47 TYR HA H 81 4.399 4.807 -0.408 1
1 378 . 3 1 1 A 47 47 TYR C C 81 176.566 173.545 3.021 1
1 379 . 3 1 1 A 47 47 TYR CA C 81 58.479 57.381 1.098 1
1 380 . 3 1 1 A 47 47 TYR CB C 81 38.042 40.748 -2.706 1
1 381 . 3 1 1 A 47 47 TYR N N 81 119.336 119.700 -0.364 1
1 382 . 3 1 1 A 48 48 LYS HA H 82 4.090 4.769 -0.679 1
1 383 . 3 1 1 A 48 48 LYS C C 82 176.894 176.152 0.742 1
1 384 . 3 1 1 A 48 48 LYS CA C 82 56.786 54.833 1.953 1
1 385 . 3 1 1 A 48 48 LYS CB C 82 32.306 33.035 -0.729 1
1 386 . 3 1 1 A 49 49 ALA H H 83 7.999 8.281 -0.282 1
1 387 . 3 1 1 A 49 49 ALA HA H 83 4.178 4.397 -0.219 1
1 391 . 3 1 1 A 49 49 ALA C C 83 178.193 177.808 0.385 1
1 392 . 3 1 1 A 49 49 ALA CA C 83 52.825 54.247 -1.422 1
1 393 . 3 1 1 A 49 49 ALA CB C 83 18.200 18.732 -0.532 1
1 394 . 3 1 1 A 49 49 ALA N N 83 122.394 127.510 -5.116 1
1 395 . 3 1 1 A 50 50 GLN H H 84 8.006 7.926 0.080 1
1 396 . 3 1 1 A 50 50 GLN HA H 84 4.167 4.635 -0.468 1
1 400 . 3 1 1 A 50 50 GLN C C 84 176.200 174.858 1.342 1
1 401 . 3 1 1 A 50 50 GLN CA C 84 56.016 54.913 1.103 1
1 402 . 3 1 1 A 50 50 GLN CB C 84 28.467 29.506 -1.039 1
1 404 . 3 1 1 A 50 50 GLN N N 84 116.623 114.865 1.758 1
1 405 . 3 1 1 A 51 51 GLN H H 85 8.085 8.512 -0.427 1
1 406 . 3 1 1 A 51 51 GLN HA H 85 4.223 4.497 -0.274 1
1 410 . 3 1 1 A 51 51 GLN CA C 85 56.393 55.814 0.579 1
1 411 . 3 1 1 A 51 51 GLN CB C 85 28.600 27.646 0.954 1
1 413 . 3 1 1 A 51 51 GLN N N 85 118.681 121.631 -2.950 1
1 414 . 3 1 1 A 53 53 GLN HA H 87 4.268 4.220 0.048 1
1 415 . 3 1 1 A 53 53 GLN C C 87 175.517 174.743 0.774 1
1 416 . 3 1 1 A 53 53 GLN CA C 87 55.821 58.358 -2.537 1
1 417 . 3 1 1 A 53 53 GLN CB C 87 28.296 28.370 -0.074 1
1 418 . 3 1 1 A 54 54 THR H H 88 7.950 7.866 0.084 1
1 419 . 3 1 1 A 54 54 THR HA H 88 4.540 4.735 -0.195 1
1 422 . 3 1 1 A 54 54 THR C C 88 172.445 173.388 -0.943 1
1 423 . 3 1 1 A 54 54 THR CA C 88 59.184 59.121 0.063 1
1 424 . 3 1 1 A 54 54 THR CB C 88 69.534 70.326 -0.792 1
1 426 . 3 1 1 A 54 54 THR N N 88 116.337 114.288 2.049 1
1 427 . 3 1 1 A 55 55 PRO HA H 89 4.410 4.795 -0.385 1
1 431 . 3 1 1 A 55 55 PRO C C 89 3.600 176.733 -173.133 1
1 432 . 3 1 1 A 55 55 PRO CA C 89 176.508 62.615 113.893 1
1 433 . 3 1 1 A 55 55 PRO CB C 89 62.325 32.041 30.284 1
1 436 . 3 1 1 A 55 55 PRO N N 89 50.400 141.445 -91.045 1
1 437 . 3 1 1 A 56 56 ILE H H 90 8.247 8.457 -0.210 1
1 438 . 3 1 1 A 56 56 ILE HA H 90 3.993 3.859 0.134 1
1 443 . 3 1 1 A 56 56 ILE C C 90 175.132 175.160 -0.028 1
1 444 . 3 1 1 A 56 56 ILE CA C 90 60.718 62.165 -1.447 1
1 445 . 3 1 1 A 56 56 ILE CB C 90 38.277 36.773 1.504 1
1 447 . 3 1 1 A 56 56 ILE N N 90 121.921 122.120 -0.199 1
1 448 . 3 1 1 A 57 57 GLY H H 91 7.820 8.603 -0.783 1
1 449 . 3 1 1 A 57 57 GLY HA2 H 91 4.550 4.259 0.291 1
1 450 . 3 1 1 A 57 57 GLY HA3 H 91 3.640 4.370 -0.730 1
1 451 . 3 1 1 A 57 57 GLY C C 91 172.184 171.931 0.253 1
1 452 . 3 1 1 A 57 57 GLY CA C 91 43.575 44.095 -0.520 1
1 453 . 3 1 1 A 57 57 GLY N N 91 110.987 116.142 -5.155 1
1 454 . 3 1 1 A 58 58 TYR H H 92 8.593 9.380 -0.787 1
1 455 . 3 1 1 A 58 58 TYR HA H 92 5.166 5.419 -0.253 1
1 460 . 3 1 1 A 58 58 TYR C C 92 175.122 174.121 1.001 1
1 461 . 3 1 1 A 58 58 TYR CA C 92 56.544 56.641 -0.097 1
1 462 . 3 1 1 A 58 58 TYR CB C 92 43.819 42.368 1.451 1
1 465 . 3 1 1 A 58 58 TYR N N 92 116.307 121.770 -5.463 1
1 466 . 3 1 1 A 59 59 ASN H H 93 8.964 9.143 -0.179 1
1 467 . 3 1 1 A 59 59 ASN HA H 93 5.116 5.576 -0.460 1
1 470 . 3 1 1 A 59 59 ASN C C 93 173.457 173.969 -0.512 1
1 471 . 3 1 1 A 59 59 ASN CA C 93 52.717 51.853 0.864 1
1 472 . 3 1 1 A 59 59 ASN CB C 93 40.420 41.585 -1.165 1
1 473 . 3 1 1 A 59 59 ASN N N 93 119.232 119.715 -0.483 1
1 474 . 3 1 1 A 60 60 ILE H H 94 9.013 9.266 -0.253 1
1 475 . 3 1 1 A 60 60 ILE HA H 94 4.383 5.048 -0.665 1
1 476 . 3 1 1 A 60 60 ILE C C 94 173.370 175.061 -1.691 1
1 477 . 3 1 1 A 60 60 ILE CA C 94 60.231 60.264 -0.033 1
1 478 . 3 1 1 A 60 60 ILE CB C 94 38.728 40.466 -1.738 1
1 479 . 3 1 1 A 60 60 ILE N N 94 123.021 126.079 -3.058 1
1 480 . 3 1 1 A 61 61 TYR H H 95 8.867 8.930 -0.063 1
1 481 . 3 1 1 A 61 61 TYR HA H 95 5.279 6.241 -0.962 1
1 486 . 3 1 1 A 61 61 TYR C C 95 174.262 174.209 0.053 1
1 487 . 3 1 1 A 61 61 TYR CA C 95 55.732 55.283 0.449 1
1 488 . 3 1 1 A 61 61 TYR CB C 95 39.723 42.621 -2.898 1
1 491 . 3 1 1 A 61 61 TYR N N 95 125.343 123.928 1.415 1
1 492 . 3 1 1 A 62 62 THR H H 96 8.998 9.227 -0.229 1
1 493 . 3 1 1 A 62 62 THR HA H 96 4.889 4.594 0.295 1
1 496 . 3 1 1 A 62 62 THR C C 96 172.708 172.326 0.382 1
1 497 . 3 1 1 A 62 62 THR CA C 96 58.248 59.246 -0.998 1
1 498 . 3 1 1 A 62 62 THR CB C 96 73.097 71.769 1.328 1
1 500 . 3 1 1 A 62 62 THR N N 96 119.223 116.034 3.189 1
1 501 . 3 1 1 A 63 63 PRO HA H 97 4.410 4.722 -0.312 1
1 503 . 3 1 1 A 63 63 PRO C C 97 3.190 177.491 -174.301 1
1 504 . 3 1 1 A 63 63 PRO CA C 97 175.250 63.225 112.025 1
1 505 . 3 1 1 A 63 63 PRO CB C 97 63.642 31.921 31.721 1
1 507 . 3 1 1 A 63 63 PRO N N 97 51.700 137.650 -85.950 1
1 508 . 3 1 1 A 64 64 TYR H H 98 7.826 8.738 -0.912 1
1 509 . 3 1 1 A 64 64 TYR HA H 98 4.265 4.202 0.063 1
1 514 . 3 1 1 A 64 64 TYR C C 98 175.150 174.433 0.717 1
1 515 . 3 1 1 A 64 64 TYR CA C 98 59.434 59.772 -0.338 1
1 516 . 3 1 1 A 64 64 TYR CB C 98 37.240 36.424 0.816 1
1 518 . 3 1 1 A 64 64 TYR N N 98 122.118 120.162 1.956 1
1 519 . 3 1 1 A 65 65 ASP H H 99 5.931 7.938 -2.007 1
1 520 . 3 1 1 A 65 65 ASP HA H 99 4.255 4.991 -0.736 1
1 523 . 3 1 1 A 65 65 ASP C C 99 176.079 175.355 0.724 1
1 524 . 3 1 1 A 65 65 ASP CA C 99 52.885 53.963 -1.078 1
1 525 . 3 1 1 A 65 65 ASP CB C 99 43.486 42.481 1.005 1
1 526 . 3 1 1 A 65 65 ASP N N 99 125.409 119.898 5.511 1
1 527 . 3 1 1 A 66 66 ASP H H 100 8.703 8.387 0.316 1
1 528 . 3 1 1 A 66 66 ASP HA H 100 4.058 4.830 -0.772 1
1 531 . 3 1 1 A 66 66 ASP C C 100 176.300 176.312 -0.012 1
1 532 . 3 1 1 A 66 66 ASP CA C 100 55.332 52.904 2.428 1
1 533 . 3 1 1 A 66 66 ASP CB C 100 40.206 40.192 0.014 1
1 534 . 3 1 1 A 66 66 ASP N N 100 128.295 119.680 8.615 1
1 535 . 3 1 1 A 67 67 ARG H H 101 8.832 7.741 1.091 1
1 536 . 3 1 1 A 67 67 ARG HA H 101 3.944 4.250 -0.306 1
1 538 . 3 1 1 A 67 67 ARG C C 101 177.624 178.473 -0.849 1
1 539 . 3 1 1 A 67 67 ARG CA C 101 56.509 56.312 0.197 1
1 540 . 3 1 1 A 67 67 ARG CB C 101 31.162 29.732 1.430 1
1 541 . 3 1 1 A 67 67 ARG N N 101 117.507 119.719 -2.212 1
1 542 . 3 1 1 A 68 68 ILE H H 102 7.004 7.508 -0.504 1
1 543 . 3 1 1 A 68 68 ILE HA H 102 3.507 3.728 -0.221 1
1 548 . 3 1 1 A 68 68 ILE C C 102 174.835 175.926 -1.091 1
1 549 . 3 1 1 A 68 68 ILE CA C 102 63.638 64.737 -1.099 1
1 550 . 3 1 1 A 68 68 ILE CB C 102 36.617 37.993 -1.376 1
1 552 . 3 1 1 A 68 68 ILE N N 102 116.003 119.551 -3.548 1
1 553 . 3 1 1 A 69 69 ASP H H 103 8.026 7.689 0.337 1
1 554 . 3 1 1 A 69 69 ASP HA H 103 4.954 4.815 0.139 1
1 557 . 3 1 1 A 69 69 ASP C C 103 175.574 174.724 0.850 1
1 558 . 3 1 1 A 69 69 ASP CA C 103 52.485 52.145 0.340 1
1 559 . 3 1 1 A 69 69 ASP CB C 103 45.984 41.579 4.405 1
1 560 . 3 1 1 A 69 69 ASP N N 103 129.672 116.827 12.845 1
1 561 . 3 1 1 A 70 70 LYS H H 104 8.505 8.747 -0.242 1
1 562 . 3 1 1 A 70 70 LYS C C 104 175.300 175.569 -0.269 1
1 563 . 3 1 1 A 70 70 LYS CA C 104 58.027 55.401 2.626 1
1 564 . 3 1 1 A 70 70 LYS CB C 104 31.376 32.682 -1.306 1
1 565 . 3 1 1 A 70 70 LYS N N 104 119.646 124.149 -4.503 1
1 566 . 3 1 1 A 71 71 LYS H H 105 8.653 8.035 0.618 1
1 567 . 3 1 1 A 71 71 LYS HA H 105 4.513 3.963 0.550 1
1 571 . 3 1 1 A 71 71 LYS C C 105 178.190 175.146 3.044 1
1 572 . 3 1 1 A 71 71 LYS CA C 105 56.415 57.182 -0.767 1
1 573 . 3 1 1 A 71 71 LYS CB C 105 30.942 30.957 -0.015 1
1 575 . 3 1 1 A 71 71 LYS N N 105 118.554 120.139 -1.585 1
1 576 . 3 1 1 A 72 72 MET H H 106 7.596 7.389 0.207 1
1 577 . 3 1 1 A 72 72 MET HA H 106 5.019 5.380 -0.361 1
1 578 . 3 1 1 A 72 72 MET C C 106 172.309 174.057 -1.748 1
1 579 . 3 1 1 A 72 72 MET CA C 106 56.500 54.476 2.024 1
1 580 . 3 1 1 A 72 72 MET CB C 106 34.892 38.218 -3.326 1
1 581 . 3 1 1 A 72 72 MET N N 106 119.949 118.431 1.518 1
1 582 . 3 1 1 A 73 73 ARG H H 107 8.266 8.324 -0.058 1
1 583 . 3 1 1 A 73 73 ARG HA H 107 4.075 5.473 -1.398 1
1 585 . 3 1 1 A 73 73 ARG C C 107 172.995 174.992 -1.997 1
1 586 . 3 1 1 A 73 73 ARG CA C 107 53.348 54.761 -1.413 1
1 587 . 3 1 1 A 73 73 ARG CB C 107 31.579 34.256 -2.677 1
1 588 . 3 1 1 A 73 73 ARG N N 107 112.423 119.434 -7.011 1
1 589 . 3 1 1 A 74 74 VAL H H 108 8.371 8.680 -0.309 1
1 590 . 3 1 1 A 74 74 VAL HA H 108 4.954 5.062 -0.108 1
1 598 . 3 1 1 A 74 74 VAL C C 108 173.137 174.122 -0.985 1
1 599 . 3 1 1 A 74 74 VAL CA C 108 58.400 59.372 -0.972 1
1 600 . 3 1 1 A 74 74 VAL CB C 108 35.700 35.926 -0.226 1
1 603 . 3 1 1 A 74 74 VAL N N 108 117.751 117.630 0.121 1
1 604 . 3 1 1 A 75 75 ILE H H 109 8.644 8.715 -0.071 1
1 605 . 3 1 1 A 75 75 ILE HA H 109 4.772 4.804 -0.032 1
1 610 . 3 1 1 A 75 75 ILE C C 109 176.377 174.177 2.200 1
1 611 . 3 1 1 A 75 75 ILE CA C 109 57.500 60.046 -2.546 1
1 612 . 3 1 1 A 75 75 ILE CB C 109 35.550 38.865 -3.315 1
1 614 . 3 1 1 A 75 75 ILE N N 109 122.741 124.102 -1.361 1
1 615 . 3 1 1 A 76 76 TYR H H 110 8.928 8.043 0.885 1
1 616 . 3 1 1 A 76 76 TYR HA H 110 4.873 5.248 -0.375 1
1 621 . 3 1 1 A 76 76 TYR C C 110 173.400 174.806 -1.406 1
1 622 . 3 1 1 A 76 76 TYR CA C 110 54.699 56.093 -1.394 1
1 623 . 3 1 1 A 76 76 TYR CB C 110 40.392 40.319 0.073 1
1 626 . 3 1 1 A 76 76 TYR N N 110 129.091 126.149 2.942 1
1 627 . 3 1 1 A 77 77 ARG H H 111 9.206 9.552 -0.346 1
1 628 . 3 1 1 A 77 77 ARG HA H 111 3.537 3.866 -0.329 1
1 633 . 3 1 1 A 77 77 ARG C C 111 176.065 176.224 -0.159 1
1 634 . 3 1 1 A 77 77 ARG CA C 111 56.490 57.045 -0.555 1
1 635 . 3 1 1 A 77 77 ARG CB C 111 27.448 27.701 -0.253 1
1 636 . 3 1 1 A 77 77 ARG N N 111 126.774 120.324 6.450 1
1 637 . 3 1 1 A 78 78 GLY H H 112 8.155 8.361 -0.206 1
1 638 . 3 1 1 A 78 78 GLY HA2 H 112 4.040 3.734 0.306 1
1 639 . 3 1 1 A 78 78 GLY HA3 H 112 3.540 3.753 -0.213 1
1 640 . 3 1 1 A 78 78 GLY C C 112 173.810 173.615 0.195 1
1 641 . 3 1 1 A 78 78 GLY CA C 112 45.284 45.245 0.039 1
1 642 . 3 1 1 A 78 78 GLY N N 112 102.172 104.688 -2.516 1
1 643 . 3 1 1 A 79 79 LYS HA H 113 3.910 4.436 -0.526 1
1 644 . 3 1 1 A 79 79 LYS C C 113 174.750 175.338 -0.588 1
1 645 . 3 1 1 A 79 79 LYS CA C 113 53.808 54.992 -1.184 1
1 646 . 3 1 1 A 79 79 LYS CB C 113 33.298 33.589 -0.291 1
1 647 . 3 1 1 A 80 80 ILE H H 114 8.484 8.739 -0.255 1
1 648 . 3 1 1 A 80 80 ILE HA H 114 3.860 5.067 -1.207 1
1 653 . 3 1 1 A 80 80 ILE C C 114 174.732 174.581 0.151 1
1 654 . 3 1 1 A 80 80 ILE CA C 114 61.130 59.826 1.304 1
1 655 . 3 1 1 A 80 80 ILE CB C 114 37.740 40.089 -2.349 1
1 657 . 3 1 1 A 80 80 ILE N N 114 121.186 123.613 -2.427 1
1 658 . 3 1 1 A 81 81 VAL H H 115 9.395 8.585 0.810 1
1 659 . 3 1 1 A 81 81 VAL HA H 115 4.645 4.867 -0.222 1
1 664 . 3 1 1 A 81 81 VAL C C 115 174.934 172.694 2.240 1
1 665 . 3 1 1 A 81 81 VAL CA C 115 60.401 59.315 1.086 1
1 666 . 3 1 1 A 81 81 VAL CB C 115 32.142 35.538 -3.396 1
1 668 . 3 1 1 A 81 81 VAL N N 115 129.212 126.467 2.745 1
1 669 . 3 1 1 A 82 82 THR H H 116 8.661 8.706 -0.045 1
1 670 . 3 1 1 A 82 82 THR HA H 116 4.483 5.274 -0.791 1
1 673 . 3 1 1 A 82 82 THR C C 116 175.000 172.673 2.327 1
1 674 . 3 1 1 A 82 82 THR CA C 116 59.911 59.778 0.133 1
1 675 . 3 1 1 A 82 82 THR CB C 116 69.844 71.679 -1.835 1
1 677 . 3 1 1 A 82 82 THR N N 116 120.129 120.661 -0.532 1
1 678 . 3 1 1 A 83 83 PHE H H 117 9.153 8.771 0.382 1
1 679 . 3 1 1 A 83 83 PHE HA H 117 5.003 5.105 -0.102 1
1 681 . 3 1 1 A 83 83 PHE C C 117 177.126 172.055 5.071 1
1 682 . 3 1 1 A 83 83 PHE CA C 117 55.003 56.345 -1.342 1
1 683 . 3 1 1 A 83 83 PHE CB C 117 37.018 40.306 -3.288 1
1 684 . 3 1 1 A 83 83 PHE N N 117 123.251 121.139 2.112 1
1 685 . 3 1 1 A 84 84 ILE H H 118 8.882 8.539 0.343 1
1 686 . 3 1 1 A 84 84 ILE HA H 118 4.320 4.967 -0.647 1
1 695 . 3 1 1 A 84 84 ILE C C 118 175.958 174.147 1.811 1
1 696 . 3 1 1 A 84 84 ILE CA C 118 60.275 60.076 0.199 1
1 697 . 3 1 1 A 84 84 ILE CB C 118 37.057 40.612 -3.555 1
1 700 . 3 1 1 A 84 84 ILE N N 118 122.450 122.022 0.428 1
1 701 . 3 1 1 A 85 85 GLY H H 119 8.198 8.787 -0.589 1
1 702 . 3 1 1 A 85 85 GLY HA2 H 119 4.050 4.199 -0.149 1
1 703 . 3 1 1 A 85 85 GLY HA3 H 119 3.900 4.277 -0.377 1
1 704 . 3 1 1 A 85 85 GLY C C 119 172.376 172.426 -0.050 1
1 705 . 3 1 1 A 85 85 GLY CA C 119 44.033 44.254 -0.221 1
1 706 . 3 1 1 A 85 85 GLY N N 119 112.995 115.743 -2.748 1
1 707 . 3 1 1 A 86 86 ASP H H 120 8.132 9.085 -0.953 1
1 708 . 3 1 1 A 86 86 ASP HA H 120 4.938 5.362 -0.424 1
1 711 . 3 1 1 A 86 86 ASP C C 120 175.418 174.711 0.707 1
1 712 . 3 1 1 A 86 86 ASP CA C 120 52.656 51.189 1.467 1
1 713 . 3 1 1 A 86 86 ASP CB C 120 40.163 43.511 -3.348 1
1 714 . 3 1 1 A 86 86 ASP N N 120 119.130 117.667 1.463 1
1 715 . 3 1 1 A 87 87 PRO HA H 121 4.470 4.884 -0.414 1
1 719 . 3 1 1 A 87 87 PRO CA C 121 175.750 62.387 113.363 1
1 720 . 3 1 1 A 87 87 PRO CB C 121 62.414 32.584 29.830 1
1 723 . 3 1 1 A 87 87 PRO N N 121 49.700 138.115 -88.415 1
1 724 . 3 1 1 A 88 88 VAL H H 122 8.707 8.751 -0.044 1
1 725 . 3 1 1 A 88 88 VAL HA H 122 4.400 4.691 -0.291 1
1 733 . 3 1 1 A 88 88 VAL C C 122 174.250 174.623 -0.373 1
1 734 . 3 1 1 A 88 88 VAL CA C 122 60.598 60.690 -0.092 1
1 735 . 3 1 1 A 88 88 VAL CB C 122 34.847 35.279 -0.432 1
1 738 . 3 1 1 A 88 88 VAL N N 122 121.987 121.021 0.966 1
1 739 . 3 1 1 A 89 89 ASP H H 123 8.437 8.966 -0.529 1
1 740 . 3 1 1 A 89 89 ASP HA H 123 5.068 4.977 0.091 1
1 743 . 3 1 1 A 89 89 ASP C C 123 177.435 175.681 1.754 1
1 744 . 3 1 1 A 89 89 ASP CA C 123 52.751 52.820 -0.069 1
1 745 . 3 1 1 A 89 89 ASP CB C 123 40.191 43.411 -3.220 1
1 746 . 3 1 1 A 89 89 ASP N N 123 125.856 127.461 -1.605 1
1 747 . 3 1 1 A 90 90 LEU H H 124 8.793 8.000 0.793 1
1 748 . 3 1 1 A 90 90 LEU HA H 124 4.047 4.447 -0.400 1
1 749 . 3 1 1 A 90 90 LEU CA C 124 56.836 54.565 2.271 1
1 750 . 3 1 1 A 90 90 LEU CB C 124 41.301 41.461 -0.160 1
1 751 . 3 1 1 A 90 90 LEU N N 124 128.178 121.496 6.682 1
1 752 . 3 1 1 A 91 91 SER H H 125 8.927 7.813 1.114 1
1 753 . 3 1 1 A 91 91 SER HA H 125 4.287 4.306 -0.019 1
1 754 . 3 1 1 A 91 91 SER C C 125 173.984 175.546 -1.562 1
1 755 . 3 1 1 A 91 91 SER CA C 125 58.498 60.636 -2.138 1
1 756 . 3 1 1 A 91 91 SER CB C 125 63.600 63.038 0.562 1
1 757 . 3 1 1 A 91 91 SER N N 125 115.226 115.575 -0.349 1
1 758 . 3 1 1 A 92 92 GLY H H 126 8.250 8.265 -0.015 1
1 759 . 3 1 1 A 92 92 GLY HA2 H 126 3.950 4.000 -0.050 1
1 760 . 3 1 1 A 92 92 GLY HA3 H 126 3.670 4.003 -0.333 1
1 761 . 3 1 1 A 92 92 GLY C C 126 174.700 174.453 0.247 1
1 762 . 3 1 1 A 92 92 GLY CA C 126 45.900 45.358 0.542 1
1 763 . 3 1 1 A 92 92 GLY N N 126 109.395 114.689 -5.294 1
1 764 . 3 1 1 A 94 94 GLN C C 128 174.459 174.983 -0.524 1
1 765 . 3 1 1 A 94 94 GLN CA C 128 56.434 54.041 2.393 1
1 766 . 3 1 1 A 94 94 GLN CB C 128 25.491 32.569 -7.078 1
1 767 . 3 1 1 A 95 95 GLU H H 129 8.474 8.525 -0.051 1
1 768 . 3 1 1 A 95 95 GLU HA H 129 4.596 4.047 0.549 1
1 772 . 3 1 1 A 95 95 GLU C C 129 177.559 175.445 2.114 1
1 773 . 3 1 1 A 95 95 GLU CA C 129 57.183 55.349 1.834 1
1 774 . 3 1 1 A 95 95 GLU CB C 129 31.432 30.421 1.011 1
1 775 . 3 1 1 A 95 95 GLU N N 129 115.145 120.697 -5.552 1
1 776 . 3 1 1 A 96 96 ILE H H 130 9.393 7.276 2.117 1
1 777 . 3 1 1 A 96 96 ILE HA H 130 4.660 4.866 -0.206 1
1 782 . 3 1 1 A 96 96 ILE C C 130 173.821 174.866 -1.045 1
1 783 . 3 1 1 A 96 96 ILE CA C 130 59.481 59.712 -0.231 1
1 784 . 3 1 1 A 96 96 ILE CB C 130 41.386 40.005 1.381 1
1 785 . 3 1 1 A 96 96 ILE N N 130 124.603 117.594 7.009 1
1 786 . 3 1 1 A 97 97 THR H H 131 9.341 9.433 -0.092 1
1 787 . 3 1 1 A 97 97 THR HA H 131 5.135 4.973 0.162 1
1 790 . 3 1 1 A 97 97 THR C C 131 172.742 173.986 -1.244 1
1 791 . 3 1 1 A 97 97 THR CA C 131 62.458 61.594 0.864 1
1 792 . 3 1 1 A 97 97 THR CB C 131 69.995 70.387 -0.392 1
1 794 . 3 1 1 A 97 97 THR N N 131 125.280 121.014 4.266 1
1 795 . 3 1 1 A 98 98 ARG H H 132 9.286 9.035 0.251 1
1 796 . 3 1 1 A 98 98 ARG HA H 132 5.263 5.258 0.005 1
1 802 . 3 1 1 A 98 98 ARG C C 132 175.462 175.220 0.242 1
1 803 . 3 1 1 A 98 98 ARG CA C 132 53.122 54.808 -1.686 1
1 804 . 3 1 1 A 98 98 ARG CB C 132 32.555 32.258 0.297 1
1 805 . 3 1 1 A 98 98 ARG N N 132 126.525 124.300 2.225 1
1 806 . 3 1 1 A 99 99 ILE H H 133 9.338 9.523 -0.185 1
1 807 . 3 1 1 A 99 99 ILE HA H 133 3.959 4.946 -0.987 1
1 816 . 3 1 1 A 99 99 ILE C C 133 173.860 175.313 -1.453 1
1 817 . 3 1 1 A 99 99 ILE CA C 133 59.719 59.742 -0.023 1
1 818 . 3 1 1 A 99 99 ILE CB C 133 41.429 40.891 0.538 1
1 821 . 3 1 1 A 99 99 ILE N N 133 129.483 124.475 5.008 1
1 822 . 3 1 1 A 100 100 LYS H H 134 8.457 8.698 -0.241 1
1 823 . 3 1 1 A 100 100 LYS HA H 134 4.990 5.092 -0.102 1
1 824 . 3 1 1 A 100 100 LYS C C 134 175.750 174.806 0.944 1
1 825 . 3 1 1 A 100 100 LYS CA C 134 54.548 54.560 -0.012 1
1 826 . 3 1 1 A 100 100 LYS CB C 134 32.800 35.626 -2.826 1
1 827 . 3 1 1 A 100 100 LYS N N 134 128.506 124.755 3.751 1
1 828 . 3 1 1 A 101 101 GLY H H 135 8.968 8.307 0.661 1
1 829 . 3 1 1 A 101 101 GLY HA2 H 135 5.350 4.330 1.020 1
1 830 . 3 1 1 A 101 101 GLY HA3 H 135 3.290 4.416 -1.126 1
1 831 . 3 1 1 A 101 101 GLY C C 135 171.558 172.119 -0.561 1
1 832 . 3 1 1 A 101 101 GLY CA C 135 44.286 44.766 -0.480 1
1 833 . 3 1 1 A 101 101 GLY N N 135 110.167 108.947 1.220 1
1 834 . 3 1 1 A 102 102 LYS H H 136 9.158 8.354 0.804 1
1 835 . 3 1 1 A 102 102 LYS C C 136 174.516 174.625 -0.109 1
1 836 . 3 1 1 A 102 102 LYS CA C 136 53.781 54.289 -0.508 1
1 837 . 3 1 1 A 102 102 LYS CB C 136 34.807 36.585 -1.778 1
1 838 . 3 1 1 A 102 102 LYS N N 136 119.838 121.783 -1.945 1
1 839 . 3 1 1 A 103 103 GLU H H 137 8.711 8.566 0.145 1
1 840 . 3 1 1 A 103 103 GLU HA H 137 4.709 4.915 -0.206 1
1 841 . 3 1 1 A 103 103 GLU C C 137 176.875 175.047 1.828 1
1 842 . 3 1 1 A 103 103 GLU CA C 137 56.833 55.221 1.612 1
1 843 . 3 1 1 A 103 103 GLU CB C 137 30.640 31.017 -0.377 1
1 844 . 3 1 1 A 103 103 GLU N N 137 124.293 122.380 1.913 1
1 845 . 3 1 1 A 104 104 ASP H H 138 9.334 8.698 0.636 1
1 846 . 3 1 1 A 104 104 ASP HA H 138 4.954 4.996 -0.042 1
1 849 . 3 1 1 A 104 104 ASP C C 138 175.340 174.924 0.416 1
1 850 . 3 1 1 A 104 104 ASP CA C 138 53.107 53.047 0.060 1
1 851 . 3 1 1 A 104 104 ASP CB C 138 42.374 43.746 -1.372 1
1 852 . 3 1 1 A 104 104 ASP N N 138 127.542 125.141 2.401 1
1 853 . 3 1 1 A 105 105 GLY H H 139 7.732 8.409 -0.677 1
1 854 . 3 1 1 A 105 105 GLY HA2 H 139 4.360 4.311 0.049 1
1 855 . 3 1 1 A 105 105 GLY HA3 H 139 3.800 4.318 -0.518 1
1 856 . 3 1 1 A 105 105 GLY C C 139 172.374 171.927 0.447 1
1 857 . 3 1 1 A 105 105 GLY CA C 139 43.800 45.758 -1.958 1
1 858 . 3 1 1 A 105 105 GLY N N 139 106.466 107.740 -1.274 1
1 859 . 3 1 1 A 106 106 ALA H H 140 8.191 8.374 -0.183 1
1 860 . 3 1 1 A 106 106 ALA HA H 140 4.564 5.068 -0.504 1
1 864 . 3 1 1 A 106 106 ALA C C 140 177.004 175.767 1.237 1
1 865 . 3 1 1 A 106 106 ALA CA C 140 51.406 51.382 0.024 1
1 866 . 3 1 1 A 106 106 ALA CB C 140 19.500 20.282 -0.782 1
1 867 . 3 1 1 A 106 106 ALA N N 140 120.674 122.736 -2.062 1
1 868 . 3 1 1 A 107 107 TYR H H 141 8.458 8.515 -0.057 1
1 869 . 3 1 1 A 107 107 TYR HA H 141 4.578 4.935 -0.357 1
1 873 . 3 1 1 A 107 107 TYR C C 141 174.746 174.692 0.054 1
1 874 . 3 1 1 A 107 107 TYR CA C 141 56.554 58.100 -1.546 1
1 875 . 3 1 1 A 107 107 TYR CB C 141 38.649 40.617 -1.968 1
1 878 . 3 1 1 A 107 107 TYR N N 141 121.312 122.351 -1.039 1
1 879 . 3 1 1 A 108 108 VAL H H 142 7.941 7.453 0.488 1
1 880 . 3 1 1 A 108 108 VAL HA H 142 4.008 4.402 -0.394 1
1 888 . 3 1 1 A 108 108 VAL C C 142 174.701 176.418 -1.717 1
1 889 . 3 1 1 A 108 108 VAL CA C 142 60.912 61.656 -0.744 1
1 890 . 3 1 1 A 108 108 VAL CB C 142 32.065 32.802 -0.737 1
1 893 . 3 1 1 A 108 108 VAL N N 142 125.257 121.151 4.106 1
1 9 . 4 1 1 A 2 2 TYR H H 36 7.537 7.835 -0.298 1
1 10 . 4 1 1 A 2 2 TYR HA H 36 3.945 4.638 -0.693 1
1 15 . 4 1 1 A 2 2 TYR C C 36 176.000 175.860 0.140 1
1 16 . 4 1 1 A 2 2 TYR CA C 36 57.871 57.078 0.793 1
1 17 . 4 1 1 A 2 2 TYR CB C 36 37.248 39.904 -2.656 1
1 18 . 4 1 1 A 2 2 TYR N N 36 117.048 121.053 -4.005 1
1 19 . 4 1 1 A 3 3 GLU H H 37 7.718 9.000 -1.282 1
1 20 . 4 1 1 A 3 3 GLU HA H 37 4.025 4.092 -0.067 1
1 24 . 4 1 1 A 3 3 GLU C C 37 176.100 175.687 0.413 1
1 25 . 4 1 1 A 3 3 GLU CA C 37 56.788 57.810 -1.022 1
1 26 . 4 1 1 A 3 3 GLU CB C 37 29.527 29.161 0.366 1
1 28 . 4 1 1 A 3 3 GLU N N 37 118.925 126.994 -8.069 1
1 29 . 4 1 1 A 4 4 GLU H H 38 7.866 8.546 -0.680 1
1 30 . 4 1 1 A 4 4 GLU HA H 38 4.215 4.038 0.177 1
1 35 . 4 1 1 A 4 4 GLU C C 38 176.205 174.496 1.709 1
1 36 . 4 1 1 A 4 4 GLU CA C 38 55.595 57.675 -2.080 1
1 37 . 4 1 1 A 4 4 GLU CB C 38 29.162 27.300 1.862 1
1 38 . 4 1 1 A 4 4 GLU N N 38 116.623 115.536 1.087 1
1 39 . 4 1 1 A 5 5 PHE H H 39 8.087 8.076 0.011 1
1 40 . 4 1 1 A 5 5 PHE HA H 39 4.780 5.014 -0.234 1
1 46 . 4 1 1 A 5 5 PHE C C 39 176.758 174.393 2.365 1
1 47 . 4 1 1 A 5 5 PHE CA C 39 54.914 56.298 -1.384 1
1 48 . 4 1 1 A 5 5 PHE CB C 39 36.531 41.735 -5.204 1
1 49 . 4 1 1 A 5 5 PHE N N 39 121.852 119.158 2.694 1
1 50 . 4 1 1 A 6 6 ARG HA H 40 4.515 5.032 -0.517 1
1 51 . 4 1 1 A 6 6 ARG C C 40 176.376 173.894 2.482 1
1 52 . 4 1 1 A 6 6 ARG CA C 40 56.288 54.615 1.673 1
1 53 . 4 1 1 A 6 6 ARG CB C 40 31.100 31.642 -0.542 1
1 54 . 4 1 1 A 7 7 ASP H H 41 8.851 8.602 0.249 1
1 55 . 4 1 1 A 7 7 ASP HA H 41 5.182 5.267 -0.085 1
1 57 . 4 1 1 A 7 7 ASP C C 41 175.379 174.308 1.071 1
1 58 . 4 1 1 A 7 7 ASP CA C 41 53.324 52.608 0.716 1
1 59 . 4 1 1 A 7 7 ASP CB C 41 44.292 44.560 -0.268 1
1 60 . 4 1 1 A 7 7 ASP N N 41 119.795 125.656 -5.861 1
1 61 . 4 1 1 A 8 8 VAL H H 42 8.580 8.444 0.136 1
1 62 . 4 1 1 A 8 8 VAL HA H 42 4.856 4.646 0.210 1
1 70 . 4 1 1 A 8 8 VAL C C 42 175.170 175.634 -0.464 1
1 71 . 4 1 1 A 8 8 VAL CA C 42 61.398 61.985 -0.587 1
1 72 . 4 1 1 A 8 8 VAL CB C 42 33.643 32.345 1.298 1
1 75 . 4 1 1 A 8 8 VAL N N 42 120.042 123.762 -3.720 1
1 76 . 4 1 1 A 9 9 ILE H H 43 8.765 9.162 -0.397 1
1 77 . 4 1 1 A 9 9 ILE HA H 43 4.939 5.037 -0.098 1
1 79 . 4 1 1 A 9 9 ILE C C 43 173.755 174.431 -0.676 1
1 80 . 4 1 1 A 9 9 ILE CA C 43 58.528 59.066 -0.538 1
1 81 . 4 1 1 A 9 9 ILE CB C 43 40.437 41.701 -1.264 1
1 82 . 4 1 1 A 9 9 ILE N N 43 117.778 122.604 -4.826 1
1 83 . 4 1 1 A 10 10 THR H H 44 7.834 8.151 -0.317 1
1 84 . 4 1 1 A 10 10 THR HA H 44 4.709 5.036 -0.327 1
1 87 . 4 1 1 A 10 10 THR C C 44 173.691 173.522 0.169 1
1 88 . 4 1 1 A 10 10 THR CA C 44 61.662 60.972 0.690 1
1 89 . 4 1 1 A 10 10 THR CB C 44 70.906 70.845 0.061 1
1 91 . 4 1 1 A 10 10 THR N N 44 116.613 116.942 -0.329 1
1 92 . 4 1 1 A 11 11 PHE H H 45 8.821 8.936 -0.115 1
1 93 . 4 1 1 A 11 11 PHE HA H 45 4.807 5.117 -0.310 1
1 94 . 4 1 1 A 11 11 PHE C C 45 175.619 175.134 0.485 1
1 95 . 4 1 1 A 11 11 PHE CA C 45 57.779 56.350 1.429 1
1 96 . 4 1 1 A 11 11 PHE CB C 45 39.649 40.833 -1.184 1
1 97 . 4 1 1 A 11 11 PHE N N 45 125.155 125.211 -0.056 1
1 98 . 4 1 1 A 12 12 GLN H H 46 9.103 8.684 0.419 1
1 99 . 4 1 1 A 12 12 GLN HA H 46 5.573 5.270 0.303 1
1 103 . 4 1 1 A 12 12 GLN C C 46 175.011 175.235 -0.224 1
1 104 . 4 1 1 A 12 12 GLN CA C 46 54.423 54.164 0.259 1
1 105 . 4 1 1 A 12 12 GLN CB C 46 34.467 32.670 1.797 1
1 106 . 4 1 1 A 12 12 GLN N N 46 119.069 121.527 -2.458 1
1 107 . 4 1 1 A 13 13 SER H H 47 8.730 8.859 -0.129 1
1 108 . 4 1 1 A 13 13 SER HA H 47 5.229 5.591 -0.362 1
1 110 . 4 1 1 A 13 13 SER C C 47 171.559 172.124 -0.565 1
1 111 . 4 1 1 A 13 13 SER CA C 47 56.514 55.868 0.646 1
1 112 . 4 1 1 A 13 13 SER CB C 47 66.075 66.238 -0.163 1
1 113 . 4 1 1 A 13 13 SER N N 47 114.734 115.452 -0.718 1
1 114 . 4 1 1 A 14 14 TYR H H 48 8.544 8.775 -0.231 1
1 115 . 4 1 1 A 14 14 TYR HA H 48 4.256 4.864 -0.608 1
1 120 . 4 1 1 A 14 14 TYR C C 48 175.437 174.192 1.245 1
1 121 . 4 1 1 A 14 14 TYR CA C 48 56.137 55.847 0.290 1
1 122 . 4 1 1 A 14 14 TYR CB C 48 36.242 40.700 -4.458 1
1 125 . 4 1 1 A 14 14 TYR N N 48 126.962 124.427 2.535 1
1 126 . 4 1 1 A 15 15 VAL H H 49 8.537 8.656 -0.119 1
1 127 . 4 1 1 A 15 15 VAL HA H 49 4.360 4.703 -0.343 1
1 132 . 4 1 1 A 15 15 VAL C C 49 174.600 174.979 -0.379 1
1 133 . 4 1 1 A 15 15 VAL CA C 49 62.600 60.100 2.500 1
1 134 . 4 1 1 A 15 15 VAL CB C 49 35.100 35.628 -0.528 1
1 136 . 4 1 1 A 15 15 VAL N N 49 123.837 126.041 -2.204 1
1 137 . 4 1 1 A 16 16 GLU H H 50 8.296 8.836 -0.540 1
1 138 . 4 1 1 A 16 16 GLU HA H 50 3.702 4.155 -0.453 1
1 142 . 4 1 1 A 16 16 GLU C C 50 175.947 177.141 -1.194 1
1 143 . 4 1 1 A 16 16 GLU CA C 50 55.400 56.461 -1.061 1
1 144 . 4 1 1 A 16 16 GLU CB C 50 30.100 30.198 -0.098 1
1 145 . 4 1 1 A 16 16 GLU N N 50 124.989 126.630 -1.641 1
1 146 . 4 1 1 A 17 17 GLN H H 51 8.529 8.104 0.425 1
1 147 . 4 1 1 A 17 17 GLN HA H 51 4.415 4.140 0.275 1
1 151 . 4 1 1 A 17 17 GLN C C 51 175.122 175.240 -0.118 1
1 152 . 4 1 1 A 17 17 GLN CA C 51 54.060 57.411 -3.351 1
1 153 . 4 1 1 A 17 17 GLN CB C 51 29.943 28.531 1.412 1
1 155 . 4 1 1 A 17 17 GLN N N 51 124.656 118.105 6.551 1
1 156 . 4 1 1 A 18 18 SER HA H 52 4.420 4.422 -0.002 1
1 157 . 4 1 1 A 18 18 SER C C 52 173.505 173.808 -0.303 1
1 158 . 4 1 1 A 18 18 SER CA C 52 58.279 59.520 -1.241 1
1 159 . 4 1 1 A 18 18 SER CB C 52 63.835 62.720 1.115 1
1 160 . 4 1 1 A 19 19 ASN H H 53 8.109 7.759 0.350 1
1 161 . 4 1 1 A 19 19 ASN HA H 53 4.399 4.965 -0.566 1
1 164 . 4 1 1 A 19 19 ASN C C 53 179.837 174.791 5.046 1
1 165 . 4 1 1 A 19 19 ASN CA C 53 54.664 52.151 2.513 1
1 166 . 4 1 1 A 19 19 ASN CB C 53 39.983 38.484 1.499 1
1 167 . 4 1 1 A 19 19 ASN N N 53 126.199 115.139 11.060 1
1 168 . 4 1 1 A 20 20 GLY H H 54 8.166 8.536 -0.370 1
1 169 . 4 1 1 A 20 20 GLY HA2 H 54 3.911 4.055 -0.144 1
1 170 . 4 1 1 A 20 20 GLY C C 54 174.876 174.081 0.795 1
1 171 . 4 1 1 A 20 20 GLY CA C 54 45.206 45.943 -0.737 1
1 172 . 4 1 1 A 20 20 GLY N N 54 113.067 109.363 3.704 1
1 173 . 4 1 1 A 22 22 GLY CA C 56 45.279 45.681 -0.402 1
1 174 . 4 1 1 A 23 23 GLY H H 57 8.235 8.284 -0.049 1
1 175 . 4 1 1 A 23 23 GLY HA2 H 57 3.929 4.049 -0.120 1
1 176 . 4 1 1 A 23 23 GLY C C 57 173.796 173.686 0.110 1
1 177 . 4 1 1 A 23 23 GLY CA C 57 45.348 45.459 -0.111 1
1 178 . 4 1 1 A 23 23 GLY N N 57 108.389 109.844 -1.455 1
1 179 . 4 1 1 A 24 24 LYS HA H 58 4.804 4.472 0.332 1
1 180 . 4 1 1 A 24 24 LYS C C 58 175.908 174.685 1.223 1
1 181 . 4 1 1 A 24 24 LYS CA C 58 54.833 54.955 -0.122 1
1 182 . 4 1 1 A 24 24 LYS CB C 58 34.402 32.916 1.486 1
1 183 . 4 1 1 A 25 25 THR H H 59 8.413 7.367 1.046 1
1 184 . 4 1 1 A 25 25 THR HA H 59 4.482 4.733 -0.251 1
1 187 . 4 1 1 A 25 25 THR C C 59 171.934 171.365 0.569 1
1 188 . 4 1 1 A 25 25 THR CA C 59 60.144 60.259 -0.115 1
1 189 . 4 1 1 A 25 25 THR CB C 59 71.035 71.029 0.006 1
1 191 . 4 1 1 A 25 25 THR N N 59 115.947 117.295 -1.348 1
1 192 . 4 1 1 A 26 26 TYR H H 60 8.182 8.691 -0.509 1
1 193 . 4 1 1 A 26 26 TYR HA H 60 4.883 5.107 -0.224 1
1 198 . 4 1 1 A 26 26 TYR C C 60 173.593 173.852 -0.259 1
1 199 . 4 1 1 A 26 26 TYR CA C 60 54.043 55.777 -1.734 1
1 200 . 4 1 1 A 26 26 TYR CB C 60 40.100 39.726 0.374 1
1 202 . 4 1 1 A 26 26 TYR N N 60 121.985 124.589 -2.604 1
1 203 . 4 1 1 A 27 27 LYS H H 61 8.385 9.165 -0.780 1
1 204 . 4 1 1 A 27 27 LYS HA H 61 4.563 5.070 -0.507 1
1 205 . 4 1 1 A 27 27 LYS C C 61 174.186 174.768 -0.582 1
1 206 . 4 1 1 A 27 27 LYS CA C 61 54.589 54.398 0.191 1
1 207 . 4 1 1 A 27 27 LYS CB C 61 35.801 36.197 -0.396 1
1 208 . 4 1 1 A 27 27 LYS N N 61 120.203 123.976 -3.773 1
1 209 . 4 1 1 A 28 28 TRP H H 62 8.524 8.967 -0.443 1
1 210 . 4 1 1 A 28 28 TRP HA H 62 5.361 5.389 -0.028 1
1 215 . 4 1 1 A 28 28 TRP C C 62 176.934 175.775 1.159 1
1 216 . 4 1 1 A 28 28 TRP CA C 62 56.499 57.035 -0.536 1
1 217 . 4 1 1 A 28 28 TRP CB C 62 29.300 30.853 -1.553 1
1 218 . 4 1 1 A 28 28 TRP N N 62 122.913 126.477 -3.564 1
1 220 . 4 1 1 A 29 29 VAL H H 63 9.470 8.684 0.786 1
1 221 . 4 1 1 A 29 29 VAL HA H 63 4.626 4.938 -0.312 1
1 229 . 4 1 1 A 29 29 VAL C C 63 175.264 174.249 1.015 1
1 230 . 4 1 1 A 29 29 VAL CA C 63 59.163 60.323 -1.160 1
1 231 . 4 1 1 A 29 29 VAL CB C 63 34.759 35.912 -1.153 1
1 234 . 4 1 1 A 29 29 VAL N N 63 120.454 121.611 -1.157 1
1 235 . 4 1 1 A 30 30 ASP H H 64 8.576 8.923 -0.347 1
1 236 . 4 1 1 A 30 30 ASP HA H 64 4.386 4.804 -0.418 1
1 237 . 4 1 1 A 30 30 ASP C C 64 174.186 176.092 -1.906 1
1 238 . 4 1 1 A 30 30 ASP CA C 64 55.907 53.663 2.244 1
1 239 . 4 1 1 A 30 30 ASP CB C 64 39.942 41.908 -1.966 1
1 240 . 4 1 1 A 30 30 ASP N N 64 123.588 124.781 -1.193 1
1 241 . 4 1 1 A 31 31 GLU H H 65 9.482 9.510 -0.028 1
1 242 . 4 1 1 A 31 31 GLU HA H 65 4.674 4.534 0.140 1
1 246 . 4 1 1 A 31 31 GLU C C 65 176.000 176.313 -0.313 1
1 247 . 4 1 1 A 31 31 GLU CA C 65 57.263 58.096 -0.833 1
1 248 . 4 1 1 A 31 31 GLU CB C 65 30.200 31.695 -1.495 1
1 250 . 4 1 1 A 31 31 GLU N N 65 124.008 123.854 0.154 1
1 251 . 4 1 1 A 32 32 PHE H H 66 7.257 7.578 -0.321 1
1 252 . 4 1 1 A 32 32 PHE HA H 66 4.940 5.153 -0.213 1
1 254 . 4 1 1 A 32 32 PHE C C 66 172.742 172.956 -0.214 1
1 255 . 4 1 1 A 32 32 PHE CA C 66 56.316 56.549 -0.233 1
1 256 . 4 1 1 A 32 32 PHE CB C 66 38.948 40.810 -1.862 1
1 257 . 4 1 1 A 32 32 PHE N N 66 110.866 113.003 -2.137 1
1 258 . 4 1 1 A 33 33 THR H H 67 8.603 8.719 -0.116 1
1 259 . 4 1 1 A 33 33 THR HA H 67 5.377 5.381 -0.004 1
1 262 . 4 1 1 A 33 33 THR C C 67 173.388 172.962 0.426 1
1 263 . 4 1 1 A 33 33 THR CA C 67 60.207 60.842 -0.635 1
1 264 . 4 1 1 A 33 33 THR CB C 67 71.620 71.962 -0.342 1
1 266 . 4 1 1 A 33 33 THR N N 67 114.847 113.845 1.002 1
1 267 . 4 1 1 A 34 34 ALA H H 68 9.185 8.743 0.442 1
1 268 . 4 1 1 A 34 34 ALA HA H 68 4.873 4.964 -0.091 1
1 272 . 4 1 1 A 34 34 ALA C C 68 174.999 175.875 -0.876 1
1 273 . 4 1 1 A 34 34 ALA CA C 68 50.660 51.432 -0.772 1
1 274 . 4 1 1 A 34 34 ALA CB C 68 23.911 24.013 -0.102 1
1 275 . 4 1 1 A 34 34 ALA N N 68 125.817 127.251 -1.434 1
1 276 . 4 1 1 A 35 35 ALA H H 69 8.347 8.528 -0.181 1
1 277 . 4 1 1 A 35 35 ALA HA H 69 4.889 5.087 -0.198 1
1 281 . 4 1 1 A 35 35 ALA C C 69 176.937 177.096 -0.159 1
1 282 . 4 1 1 A 35 35 ALA CA C 69 51.329 51.620 -0.291 1
1 283 . 4 1 1 A 35 35 ALA CB C 69 19.210 19.977 -0.767 1
1 284 . 4 1 1 A 35 35 ALA N N 69 122.342 122.423 -0.081 1
1 285 . 4 1 1 A 36 36 ALA H H 70 8.468 8.749 -0.281 1
1 286 . 4 1 1 A 36 36 ALA HA H 70 4.996 4.747 0.249 1
1 290 . 4 1 1 A 36 36 ALA C C 70 175.102 175.323 -0.221 1
1 291 . 4 1 1 A 36 36 ALA CA C 70 50.876 51.440 -0.564 1
1 292 . 4 1 1 A 36 36 ALA CB C 70 23.556 23.915 -0.359 1
1 293 . 4 1 1 A 36 36 ALA N N 70 120.267 125.342 -5.075 1
1 294 . 4 1 1 A 37 37 HIS H H 71 9.136 8.490 0.646 1
1 295 . 4 1 1 A 37 37 HIS HA H 71 5.343 5.380 -0.037 1
1 298 . 4 1 1 A 37 37 HIS C C 71 174.002 173.619 0.383 1
1 299 . 4 1 1 A 37 37 HIS CA C 71 54.803 53.684 1.119 1
1 300 . 4 1 1 A 37 37 HIS CB C 71 32.322 32.603 -0.281 1
1 301 . 4 1 1 A 37 37 HIS N N 71 119.360 119.368 -0.008 1
1 302 . 4 1 1 A 38 38 VAL H H 72 8.557 9.170 -0.613 1
1 303 . 4 1 1 A 38 38 VAL HA H 72 4.174 4.660 -0.486 1
1 311 . 4 1 1 A 38 38 VAL C C 72 174.000 175.299 -1.299 1
1 312 . 4 1 1 A 38 38 VAL CA C 72 61.587 61.473 0.114 1
1 313 . 4 1 1 A 38 38 VAL CB C 72 31.381 32.523 -1.142 1
1 316 . 4 1 1 A 38 38 VAL N N 72 127.947 128.475 -0.528 1
1 317 . 4 1 1 A 39 39 GLN H H 73 8.971 8.248 0.723 1
1 318 . 4 1 1 A 39 39 GLN HA H 73 5.019 4.532 0.487 1
1 321 . 4 1 1 A 39 39 GLN C C 73 173.260 172.891 0.369 1
1 322 . 4 1 1 A 39 39 GLN CA C 73 51.310 52.266 -0.956 1
1 323 . 4 1 1 A 39 39 GLN CB C 73 30.955 31.545 -0.590 1
1 324 . 4 1 1 A 39 39 GLN N N 73 127.985 125.218 2.767 1
1 325 . 4 1 1 A 40 40 PRO HA H 74 4.707 4.103 0.604 1
1 329 . 4 1 1 A 40 40 PRO C C 74 3.820 176.154 -172.334 1
1 330 . 4 1 1 A 40 40 PRO CA C 74 176.828 62.085 114.743 1
1 331 . 4 1 1 A 40 40 PRO CB C 74 62.215 32.136 30.079 1
1 333 . 4 1 1 A 40 40 PRO N N 74 50.800 135.234 -84.434 1
1 334 . 4 1 1 A 41 41 ILE H H 75 8.105 8.346 -0.241 1
1 335 . 4 1 1 A 41 41 ILE HA H 75 4.074 4.205 -0.131 1
1 338 . 4 1 1 A 41 41 ILE C C 75 175.881 174.995 0.886 1
1 339 . 4 1 1 A 41 41 ILE CA C 75 61.399 59.928 1.471 1
1 340 . 4 1 1 A 41 41 ILE CB C 75 38.214 36.736 1.478 1
1 342 . 4 1 1 A 41 41 ILE N N 75 122.818 121.882 0.936 1
1 343 . 4 1 1 A 43 43 GLN HA H 77 4.267 4.634 -0.367 1
1 344 . 4 1 1 A 43 43 GLN C C 77 176.255 176.124 0.131 1
1 345 . 4 1 1 A 43 43 GLN CA C 77 56.500 55.562 0.938 1
1 346 . 4 1 1 A 43 43 GLN CB C 77 29.100 30.069 -0.969 1
1 347 . 4 1 1 A 44 44 GLU H H 78 8.458 8.537 -0.079 1
1 348 . 4 1 1 A 44 44 GLU HA H 78 4.184 4.196 -0.012 1
1 351 . 4 1 1 A 44 44 GLU C C 78 177.000 176.446 0.554 1
1 352 . 4 1 1 A 44 44 GLU CA C 78 57.400 58.080 -0.680 1
1 353 . 4 1 1 A 44 44 GLU CB C 78 29.148 30.458 -1.310 1
1 355 . 4 1 1 A 44 44 GLU N N 78 120.627 121.541 -0.914 1
1 356 . 4 1 1 A 45 45 GLU H H 79 8.283 7.878 0.405 1
1 357 . 4 1 1 A 45 45 GLU HA H 79 4.121 4.145 -0.024 1
1 360 . 4 1 1 A 45 45 GLU C C 79 176.972 175.965 1.007 1
1 361 . 4 1 1 A 45 45 GLU CA C 79 57.106 57.057 0.049 1
1 362 . 4 1 1 A 45 45 GLU CB C 79 29.680 27.376 2.304 1
1 364 . 4 1 1 A 45 45 GLU N N 79 119.997 116.461 3.536 1
1 365 . 4 1 1 A 46 46 TYR H H 80 7.961 8.307 -0.346 1
1 366 . 4 1 1 A 46 46 TYR HA H 80 4.369 4.355 0.014 1
1 369 . 4 1 1 A 46 46 TYR C C 80 176.086 175.256 0.830 1
1 370 . 4 1 1 A 46 46 TYR CA C 80 58.284 60.119 -1.835 1
1 371 . 4 1 1 A 46 46 TYR CB C 80 38.214 39.441 -1.227 1
1 372 . 4 1 1 A 46 46 TYR N N 80 119.582 120.867 -1.285 1
1 373 . 4 1 1 A 47 47 TYR H H 81 7.918 7.882 0.036 1
1 374 . 4 1 1 A 47 47 TYR HA H 81 4.399 4.589 -0.190 1
1 378 . 4 1 1 A 47 47 TYR C C 81 176.566 172.645 3.921 1
1 379 . 4 1 1 A 47 47 TYR CA C 81 58.479 58.212 0.267 1
1 380 . 4 1 1 A 47 47 TYR CB C 81 38.042 39.367 -1.325 1
1 381 . 4 1 1 A 47 47 TYR N N 81 119.336 118.815 0.521 1
1 382 . 4 1 1 A 48 48 LYS HA H 82 4.090 4.526 -0.436 1
1 383 . 4 1 1 A 48 48 LYS C C 82 176.894 174.291 2.603 1
1 384 . 4 1 1 A 48 48 LYS CA C 82 56.786 55.383 1.403 1
1 385 . 4 1 1 A 48 48 LYS CB C 82 32.306 36.597 -4.291 1
1 386 . 4 1 1 A 49 49 ALA H H 83 7.999 8.488 -0.489 1
1 387 . 4 1 1 A 49 49 ALA HA H 83 4.178 4.330 -0.152 1
1 391 . 4 1 1 A 49 49 ALA C C 83 178.193 175.856 2.337 1
1 392 . 4 1 1 A 49 49 ALA CA C 83 52.825 52.658 0.167 1
1 393 . 4 1 1 A 49 49 ALA CB C 83 18.200 18.826 -0.626 1
1 394 . 4 1 1 A 49 49 ALA N N 83 122.394 125.760 -3.366 1
1 395 . 4 1 1 A 50 50 GLN H H 84 8.006 7.284 0.722 1
1 396 . 4 1 1 A 50 50 GLN HA H 84 4.167 4.712 -0.545 1
1 400 . 4 1 1 A 50 50 GLN C C 84 176.200 175.631 0.569 1
1 401 . 4 1 1 A 50 50 GLN CA C 84 56.016 54.259 1.757 1
1 402 . 4 1 1 A 50 50 GLN CB C 84 28.467 31.520 -3.053 1
1 404 . 4 1 1 A 50 50 GLN N N 84 116.623 116.301 0.322 1
1 405 . 4 1 1 A 51 51 GLN H H 85 8.085 8.527 -0.442 1
1 406 . 4 1 1 A 51 51 GLN HA H 85 4.223 4.623 -0.400 1
1 410 . 4 1 1 A 51 51 GLN CA C 85 56.393 54.938 1.455 1
1 411 . 4 1 1 A 51 51 GLN CB C 85 28.600 28.706 -0.106 1
1 413 . 4 1 1 A 51 51 GLN N N 85 118.681 119.377 -0.696 1
1 414 . 4 1 1 A 53 53 GLN HA H 87 4.268 4.766 -0.498 1
1 415 . 4 1 1 A 53 53 GLN C C 87 175.517 174.540 0.977 1
1 416 . 4 1 1 A 53 53 GLN CA C 87 55.821 54.495 1.326 1
1 417 . 4 1 1 A 53 53 GLN CB C 87 28.296 32.745 -4.449 1
1 418 . 4 1 1 A 54 54 THR H H 88 7.950 8.485 -0.535 1
1 419 . 4 1 1 A 54 54 THR HA H 88 4.540 4.963 -0.423 1
1 422 . 4 1 1 A 54 54 THR C C 88 172.445 173.292 -0.847 1
1 423 . 4 1 1 A 54 54 THR CA C 88 59.184 59.092 0.092 1
1 424 . 4 1 1 A 54 54 THR CB C 88 69.534 69.759 -0.225 1
1 426 . 4 1 1 A 54 54 THR N N 88 116.337 114.058 2.279 1
1 427 . 4 1 1 A 55 55 PRO HA H 89 4.410 4.773 -0.363 1
1 431 . 4 1 1 A 55 55 PRO C C 89 3.600 177.319 -173.719 1
1 432 . 4 1 1 A 55 55 PRO CA C 89 176.508 63.124 113.384 1
1 433 . 4 1 1 A 55 55 PRO CB C 89 62.325 31.691 30.634 1
1 436 . 4 1 1 A 55 55 PRO N N 89 50.400 138.139 -87.739 1
1 437 . 4 1 1 A 56 56 ILE H H 90 8.247 8.325 -0.078 1
1 438 . 4 1 1 A 56 56 ILE HA H 90 3.993 4.135 -0.142 1
1 443 . 4 1 1 A 56 56 ILE C C 90 175.132 176.191 -1.059 1
1 444 . 4 1 1 A 56 56 ILE CA C 90 60.718 62.161 -1.443 1
1 445 . 4 1 1 A 56 56 ILE CB C 90 38.277 36.755 1.522 1
1 447 . 4 1 1 A 56 56 ILE N N 90 121.921 118.918 3.003 1
1 448 . 4 1 1 A 57 57 GLY H H 91 7.820 8.845 -1.025 1
1 449 . 4 1 1 A 57 57 GLY HA2 H 91 4.550 4.212 0.338 1
1 450 . 4 1 1 A 57 57 GLY HA3 H 91 3.640 4.300 -0.660 1
1 451 . 4 1 1 A 57 57 GLY C C 91 172.184 173.100 -0.916 1
1 452 . 4 1 1 A 57 57 GLY CA C 91 43.575 44.416 -0.841 1
1 453 . 4 1 1 A 57 57 GLY N N 91 110.987 114.501 -3.514 1
1 454 . 4 1 1 A 58 58 TYR H H 92 8.593 8.744 -0.151 1
1 455 . 4 1 1 A 58 58 TYR HA H 92 5.166 5.282 -0.116 1
1 460 . 4 1 1 A 58 58 TYR C C 92 175.122 174.361 0.761 1
1 461 . 4 1 1 A 58 58 TYR CA C 92 56.544 56.922 -0.378 1
1 462 . 4 1 1 A 58 58 TYR CB C 92 43.819 41.748 2.071 1
1 465 . 4 1 1 A 58 58 TYR N N 92 116.307 119.202 -2.895 1
1 466 . 4 1 1 A 59 59 ASN H H 93 8.964 9.164 -0.200 1
1 467 . 4 1 1 A 59 59 ASN HA H 93 5.116 5.589 -0.473 1
1 470 . 4 1 1 A 59 59 ASN C C 93 173.457 174.084 -0.627 1
1 471 . 4 1 1 A 59 59 ASN CA C 93 52.717 51.912 0.805 1
1 472 . 4 1 1 A 59 59 ASN CB C 93 40.420 41.507 -1.087 1
1 473 . 4 1 1 A 59 59 ASN N N 93 119.232 119.413 -0.181 1
1 474 . 4 1 1 A 60 60 ILE H H 94 9.013 8.863 0.150 1
1 475 . 4 1 1 A 60 60 ILE HA H 94 4.383 5.038 -0.655 1
1 476 . 4 1 1 A 60 60 ILE C C 94 173.370 174.175 -0.805 1
1 477 . 4 1 1 A 60 60 ILE CA C 94 60.231 60.062 0.169 1
1 478 . 4 1 1 A 60 60 ILE CB C 94 38.728 42.560 -3.832 1
1 479 . 4 1 1 A 60 60 ILE N N 94 123.021 126.134 -3.113 1
1 480 . 4 1 1 A 61 61 TYR H H 95 8.867 8.459 0.408 1
1 481 . 4 1 1 A 61 61 TYR HA H 95 5.279 5.800 -0.521 1
1 486 . 4 1 1 A 61 61 TYR C C 95 174.262 173.250 1.012 1
1 487 . 4 1 1 A 61 61 TYR CA C 95 55.732 55.226 0.506 1
1 488 . 4 1 1 A 61 61 TYR CB C 95 39.723 42.210 -2.487 1
1 491 . 4 1 1 A 61 61 TYR N N 95 125.343 122.888 2.455 1
1 492 . 4 1 1 A 62 62 THR H H 96 8.998 8.452 0.546 1
1 493 . 4 1 1 A 62 62 THR HA H 96 4.889 4.598 0.291 1
1 496 . 4 1 1 A 62 62 THR C C 96 172.708 171.579 1.129 1
1 497 . 4 1 1 A 62 62 THR CA C 96 58.248 57.836 0.412 1
1 498 . 4 1 1 A 62 62 THR CB C 96 73.097 72.469 0.628 1
1 500 . 4 1 1 A 62 62 THR N N 96 119.223 115.778 3.445 1
1 501 . 4 1 1 A 63 63 PRO HA H 97 4.410 4.546 -0.136 1
1 503 . 4 1 1 A 63 63 PRO C C 97 3.190 177.113 -173.923 1
1 504 . 4 1 1 A 63 63 PRO CA C 97 175.250 63.582 111.668 1
1 505 . 4 1 1 A 63 63 PRO CB C 97 63.642 31.668 31.974 1
1 507 . 4 1 1 A 63 63 PRO N N 97 51.700 141.161 -89.461 1
1 508 . 4 1 1 A 64 64 TYR H H 98 7.826 9.204 -1.378 1
1 509 . 4 1 1 A 64 64 TYR HA H 98 4.265 4.258 0.007 1
1 514 . 4 1 1 A 64 64 TYR C C 98 175.150 174.578 0.572 1
1 515 . 4 1 1 A 64 64 TYR CA C 98 59.434 59.293 0.141 1
1 516 . 4 1 1 A 64 64 TYR CB C 98 37.240 37.219 0.021 1
1 518 . 4 1 1 A 64 64 TYR N N 98 122.118 123.183 -1.065 1
1 519 . 4 1 1 A 65 65 ASP H H 99 5.931 7.810 -1.879 1
1 520 . 4 1 1 A 65 65 ASP HA H 99 4.255 4.656 -0.401 1
1 523 . 4 1 1 A 65 65 ASP C C 99 176.079 175.478 0.601 1
1 524 . 4 1 1 A 65 65 ASP CA C 99 52.885 52.626 0.259 1
1 525 . 4 1 1 A 65 65 ASP CB C 99 43.486 42.144 1.342 1
1 526 . 4 1 1 A 65 65 ASP N N 99 125.409 120.440 4.969 1
1 527 . 4 1 1 A 66 66 ASP H H 100 8.703 8.732 -0.029 1
1 528 . 4 1 1 A 66 66 ASP HA H 100 4.058 4.777 -0.719 1
1 531 . 4 1 1 A 66 66 ASP C C 100 176.300 176.837 -0.537 1
1 532 . 4 1 1 A 66 66 ASP CA C 100 55.332 52.941 2.391 1
1 533 . 4 1 1 A 66 66 ASP CB C 100 40.206 41.077 -0.871 1
1 534 . 4 1 1 A 66 66 ASP N N 100 128.295 126.211 2.084 1
1 535 . 4 1 1 A 67 67 ARG H H 101 8.832 7.585 1.247 1
1 536 . 4 1 1 A 67 67 ARG HA H 101 3.944 4.271 -0.327 1
1 538 . 4 1 1 A 67 67 ARG C C 101 177.624 177.994 -0.370 1
1 539 . 4 1 1 A 67 67 ARG CA C 101 56.509 57.237 -0.728 1
1 540 . 4 1 1 A 67 67 ARG CB C 101 31.162 30.837 0.325 1
1 541 . 4 1 1 A 67 67 ARG N N 101 117.507 120.790 -3.283 1
1 542 . 4 1 1 A 68 68 ILE H H 102 7.004 7.849 -0.845 1
1 543 . 4 1 1 A 68 68 ILE HA H 102 3.507 4.297 -0.790 1
1 548 . 4 1 1 A 68 68 ILE C C 102 174.835 175.752 -0.917 1
1 549 . 4 1 1 A 68 68 ILE CA C 102 63.638 64.212 -0.574 1
1 550 . 4 1 1 A 68 68 ILE CB C 102 36.617 37.767 -1.150 1
1 552 . 4 1 1 A 68 68 ILE N N 102 116.003 118.151 -2.148 1
1 553 . 4 1 1 A 69 69 ASP H H 103 8.026 7.985 0.041 1
1 554 . 4 1 1 A 69 69 ASP HA H 103 4.954 4.685 0.269 1
1 557 . 4 1 1 A 69 69 ASP C C 103 175.574 174.770 0.804 1
1 558 . 4 1 1 A 69 69 ASP CA C 103 52.485 53.107 -0.622 1
1 559 . 4 1 1 A 69 69 ASP CB C 103 45.984 42.388 3.596 1
1 560 . 4 1 1 A 69 69 ASP N N 103 129.672 120.582 9.090 1
1 561 . 4 1 1 A 70 70 LYS H H 104 8.505 8.618 -0.113 1
1 562 . 4 1 1 A 70 70 LYS C C 104 175.300 174.774 0.526 1
1 563 . 4 1 1 A 70 70 LYS CA C 104 58.027 57.801 0.226 1
1 564 . 4 1 1 A 70 70 LYS CB C 104 31.376 34.184 -2.808 1
1 565 . 4 1 1 A 70 70 LYS N N 104 119.646 127.239 -7.593 1
1 566 . 4 1 1 A 71 71 LYS H H 105 8.653 7.685 0.968 1
1 567 . 4 1 1 A 71 71 LYS HA H 105 4.513 4.632 -0.119 1
1 571 . 4 1 1 A 71 71 LYS C C 105 178.190 174.944 3.246 1
1 572 . 4 1 1 A 71 71 LYS CA C 105 56.415 55.213 1.202 1
1 573 . 4 1 1 A 71 71 LYS CB C 105 30.942 33.775 -2.833 1
1 575 . 4 1 1 A 71 71 LYS N N 105 118.554 118.243 0.311 1
1 576 . 4 1 1 A 72 72 MET H H 106 7.596 8.433 -0.837 1
1 577 . 4 1 1 A 72 72 MET HA H 106 5.019 5.039 -0.020 1
1 578 . 4 1 1 A 72 72 MET C C 106 172.309 174.101 -1.792 1
1 579 . 4 1 1 A 72 72 MET CA C 106 56.500 54.644 1.856 1
1 580 . 4 1 1 A 72 72 MET CB C 106 34.892 36.125 -1.233 1
1 581 . 4 1 1 A 72 72 MET N N 106 119.949 123.154 -3.205 1
1 582 . 4 1 1 A 73 73 ARG H H 107 8.266 8.648 -0.382 1
1 583 . 4 1 1 A 73 73 ARG HA H 107 4.075 5.373 -1.298 1
1 585 . 4 1 1 A 73 73 ARG C C 107 172.995 174.815 -1.820 1
1 586 . 4 1 1 A 73 73 ARG CA C 107 53.348 54.695 -1.347 1
1 587 . 4 1 1 A 73 73 ARG CB C 107 31.579 34.145 -2.566 1
1 588 . 4 1 1 A 73 73 ARG N N 107 112.423 123.259 -10.836 1
1 589 . 4 1 1 A 74 74 VAL H H 108 8.371 8.565 -0.194 1
1 590 . 4 1 1 A 74 74 VAL HA H 108 4.954 4.789 0.165 1
1 598 . 4 1 1 A 74 74 VAL C C 108 173.137 174.612 -1.475 1
1 599 . 4 1 1 A 74 74 VAL CA C 108 58.400 59.017 -0.617 1
1 600 . 4 1 1 A 74 74 VAL CB C 108 35.700 35.606 0.094 1
1 603 . 4 1 1 A 74 74 VAL N N 108 117.751 119.165 -1.414 1
1 604 . 4 1 1 A 75 75 ILE H H 109 8.644 8.531 0.113 1
1 605 . 4 1 1 A 75 75 ILE HA H 109 4.772 5.087 -0.315 1
1 610 . 4 1 1 A 75 75 ILE C C 109 176.377 173.724 2.653 1
1 611 . 4 1 1 A 75 75 ILE CA C 109 57.500 59.828 -2.328 1
1 612 . 4 1 1 A 75 75 ILE CB C 109 35.550 39.827 -4.277 1
1 614 . 4 1 1 A 75 75 ILE N N 109 122.741 121.920 0.821 1
1 615 . 4 1 1 A 76 76 TYR H H 110 8.928 8.580 0.348 1
1 616 . 4 1 1 A 76 76 TYR HA H 110 4.873 4.768 0.105 1
1 621 . 4 1 1 A 76 76 TYR C C 110 173.400 175.623 -2.223 1
1 622 . 4 1 1 A 76 76 TYR CA C 110 54.699 57.149 -2.450 1
1 623 . 4 1 1 A 76 76 TYR CB C 110 40.392 39.956 0.436 1
1 626 . 4 1 1 A 76 76 TYR N N 110 129.091 128.806 0.285 1
1 627 . 4 1 1 A 77 77 ARG H H 111 9.206 9.025 0.181 1
1 628 . 4 1 1 A 77 77 ARG HA H 111 3.537 3.819 -0.282 1
1 633 . 4 1 1 A 77 77 ARG C C 111 176.065 175.171 0.894 1
1 634 . 4 1 1 A 77 77 ARG CA C 111 56.490 56.872 -0.382 1
1 635 . 4 1 1 A 77 77 ARG CB C 111 27.448 28.934 -1.486 1
1 636 . 4 1 1 A 77 77 ARG N N 111 126.774 127.484 -0.710 1
1 637 . 4 1 1 A 78 78 GLY H H 112 8.155 8.340 -0.185 1
1 638 . 4 1 1 A 78 78 GLY HA2 H 112 4.040 3.773 0.267 1
1 639 . 4 1 1 A 78 78 GLY HA3 H 112 3.540 3.779 -0.239 1
1 640 . 4 1 1 A 78 78 GLY C C 112 173.810 173.717 0.093 1
1 641 . 4 1 1 A 78 78 GLY CA C 112 45.284 45.346 -0.062 1
1 642 . 4 1 1 A 78 78 GLY N N 112 102.172 105.035 -2.863 1
1 643 . 4 1 1 A 79 79 LYS HA H 113 3.910 4.515 -0.605 1
1 644 . 4 1 1 A 79 79 LYS C C 113 174.750 174.618 0.132 1
1 645 . 4 1 1 A 79 79 LYS CA C 113 53.808 55.000 -1.192 1
1 646 . 4 1 1 A 79 79 LYS CB C 113 33.298 34.838 -1.540 1
1 647 . 4 1 1 A 80 80 ILE H H 114 8.484 8.676 -0.192 1
1 648 . 4 1 1 A 80 80 ILE HA H 114 3.860 4.683 -0.823 1
1 653 . 4 1 1 A 80 80 ILE C C 114 174.732 173.925 0.807 1
1 654 . 4 1 1 A 80 80 ILE CA C 114 61.130 60.061 1.069 1
1 655 . 4 1 1 A 80 80 ILE CB C 114 37.740 40.100 -2.360 1
1 657 . 4 1 1 A 80 80 ILE N N 114 121.186 126.038 -4.852 1
1 658 . 4 1 1 A 81 81 VAL H H 115 9.395 8.561 0.834 1
1 659 . 4 1 1 A 81 81 VAL HA H 115 4.645 4.669 -0.024 1
1 664 . 4 1 1 A 81 81 VAL C C 115 174.934 173.729 1.205 1
1 665 . 4 1 1 A 81 81 VAL CA C 115 60.401 60.285 0.116 1
1 666 . 4 1 1 A 81 81 VAL CB C 115 32.142 34.814 -2.672 1
1 668 . 4 1 1 A 81 81 VAL N N 115 129.212 129.534 -0.322 1
1 669 . 4 1 1 A 82 82 THR H H 116 8.661 8.720 -0.059 1
1 670 . 4 1 1 A 82 82 THR HA H 116 4.483 5.136 -0.653 1
1 673 . 4 1 1 A 82 82 THR C C 116 175.000 172.736 2.264 1
1 674 . 4 1 1 A 82 82 THR CA C 116 59.911 59.070 0.841 1
1 675 . 4 1 1 A 82 82 THR CB C 116 69.844 71.232 -1.388 1
1 677 . 4 1 1 A 82 82 THR N N 116 120.129 122.667 -2.538 1
1 678 . 4 1 1 A 83 83 PHE H H 117 9.153 8.734 0.419 1
1 679 . 4 1 1 A 83 83 PHE HA H 117 5.003 5.148 -0.145 1
1 681 . 4 1 1 A 83 83 PHE C C 117 177.126 172.022 5.104 1
1 682 . 4 1 1 A 83 83 PHE CA C 117 55.003 56.207 -1.204 1
1 683 . 4 1 1 A 83 83 PHE CB C 117 37.018 40.643 -3.625 1
1 684 . 4 1 1 A 83 83 PHE N N 117 123.251 121.503 1.748 1
1 685 . 4 1 1 A 84 84 ILE H H 118 8.882 8.943 -0.061 1
1 686 . 4 1 1 A 84 84 ILE HA H 118 4.320 5.299 -0.979 1
1 695 . 4 1 1 A 84 84 ILE C C 118 175.958 174.713 1.245 1
1 696 . 4 1 1 A 84 84 ILE CA C 118 60.275 59.338 0.937 1
1 697 . 4 1 1 A 84 84 ILE CB C 118 37.057 41.413 -4.356 1
1 700 . 4 1 1 A 84 84 ILE N N 118 122.450 121.190 1.260 1
1 701 . 4 1 1 A 85 85 GLY H H 119 8.198 8.918 -0.720 1
1 702 . 4 1 1 A 85 85 GLY HA2 H 119 4.050 4.196 -0.146 1
1 703 . 4 1 1 A 85 85 GLY HA3 H 119 3.900 4.263 -0.363 1
1 704 . 4 1 1 A 85 85 GLY C C 119 172.376 171.360 1.016 1
1 705 . 4 1 1 A 85 85 GLY CA C 119 44.033 45.558 -1.525 1
1 706 . 4 1 1 A 85 85 GLY N N 119 112.995 114.835 -1.840 1
1 707 . 4 1 1 A 86 86 ASP H H 120 8.132 8.685 -0.553 1
1 708 . 4 1 1 A 86 86 ASP HA H 120 4.938 5.210 -0.272 1
1 711 . 4 1 1 A 86 86 ASP C C 120 175.418 173.344 2.074 1
1 712 . 4 1 1 A 86 86 ASP CA C 120 52.656 51.058 1.598 1
1 713 . 4 1 1 A 86 86 ASP CB C 120 40.163 42.491 -2.328 1
1 714 . 4 1 1 A 86 86 ASP N N 120 119.130 119.841 -0.711 1
1 715 . 4 1 1 A 87 87 PRO HA H 121 4.470 4.773 -0.303 1
1 719 . 4 1 1 A 87 87 PRO CA C 121 175.750 62.537 113.213 1
1 720 . 4 1 1 A 87 87 PRO CB C 121 62.414 32.304 30.110 1
1 723 . 4 1 1 A 87 87 PRO N N 121 49.700 140.179 -90.479 1
1 724 . 4 1 1 A 88 88 VAL H H 122 8.707 8.930 -0.223 1
1 725 . 4 1 1 A 88 88 VAL HA H 122 4.400 4.766 -0.366 1
1 733 . 4 1 1 A 88 88 VAL C C 122 174.250 173.579 0.671 1
1 734 . 4 1 1 A 88 88 VAL CA C 122 60.598 59.626 0.972 1
1 735 . 4 1 1 A 88 88 VAL CB C 122 34.847 35.931 -1.084 1
1 738 . 4 1 1 A 88 88 VAL N N 122 121.987 121.711 0.276 1
1 739 . 4 1 1 A 89 89 ASP H H 123 8.437 8.570 -0.133 1
1 740 . 4 1 1 A 89 89 ASP HA H 123 5.068 5.103 -0.035 1
1 743 . 4 1 1 A 89 89 ASP C C 123 177.435 176.434 1.001 1
1 744 . 4 1 1 A 89 89 ASP CA C 123 52.751 52.834 -0.083 1
1 745 . 4 1 1 A 89 89 ASP CB C 123 40.191 40.988 -0.797 1
1 746 . 4 1 1 A 89 89 ASP N N 123 125.856 126.322 -0.466 1
1 747 . 4 1 1 A 90 90 LEU H H 124 8.793 8.730 0.063 1
1 748 . 4 1 1 A 90 90 LEU HA H 124 4.047 4.274 -0.227 1
1 749 . 4 1 1 A 90 90 LEU CA C 124 56.836 57.293 -0.457 1
1 750 . 4 1 1 A 90 90 LEU CB C 124 41.301 42.394 -1.093 1
1 751 . 4 1 1 A 90 90 LEU N N 124 128.178 126.601 1.577 1
1 752 . 4 1 1 A 91 91 SER H H 125 8.927 7.586 1.341 1
1 753 . 4 1 1 A 91 91 SER HA H 125 4.287 4.527 -0.240 1
1 754 . 4 1 1 A 91 91 SER C C 125 173.984 174.828 -0.844 1
1 755 . 4 1 1 A 91 91 SER CA C 125 58.498 58.481 0.017 1
1 756 . 4 1 1 A 91 91 SER CB C 125 63.600 64.588 -0.988 1
1 757 . 4 1 1 A 91 91 SER N N 125 115.226 110.049 5.177 1
1 758 . 4 1 1 A 92 92 GLY H H 126 8.250 7.694 0.556 1
1 759 . 4 1 1 A 92 92 GLY HA2 H 126 3.950 3.983 -0.033 1
1 760 . 4 1 1 A 92 92 GLY HA3 H 126 3.670 4.029 -0.359 1
1 761 . 4 1 1 A 92 92 GLY C C 126 174.700 174.158 0.542 1
1 762 . 4 1 1 A 92 92 GLY CA C 126 45.900 45.551 0.349 1
1 763 . 4 1 1 A 92 92 GLY N N 126 109.395 109.284 0.111 1
1 764 . 4 1 1 A 94 94 GLN C C 128 174.459 175.231 -0.772 1
1 765 . 4 1 1 A 94 94 GLN CA C 128 56.434 54.606 1.828 1
1 766 . 4 1 1 A 94 94 GLN CB C 128 25.491 28.619 -3.128 1
1 767 . 4 1 1 A 95 95 GLU H H 129 8.474 7.936 0.538 1
1 768 . 4 1 1 A 95 95 GLU HA H 129 4.596 3.884 0.712 1
1 772 . 4 1 1 A 95 95 GLU C C 129 177.559 174.809 2.750 1
1 773 . 4 1 1 A 95 95 GLU CA C 129 57.183 57.506 -0.323 1
1 774 . 4 1 1 A 95 95 GLU CB C 129 31.432 27.231 4.201 1
1 775 . 4 1 1 A 95 95 GLU N N 129 115.145 113.771 1.374 1
1 776 . 4 1 1 A 96 96 ILE H H 130 9.393 8.123 1.270 1
1 777 . 4 1 1 A 96 96 ILE HA H 130 4.660 4.837 -0.177 1
1 782 . 4 1 1 A 96 96 ILE C C 130 173.821 174.687 -0.866 1
1 783 . 4 1 1 A 96 96 ILE CA C 130 59.481 59.950 -0.469 1
1 784 . 4 1 1 A 96 96 ILE CB C 130 41.386 39.328 2.058 1
1 785 . 4 1 1 A 96 96 ILE N N 130 124.603 115.527 9.076 1
1 786 . 4 1 1 A 97 97 THR H H 131 9.341 8.671 0.670 1
1 787 . 4 1 1 A 97 97 THR HA H 131 5.135 4.990 0.145 1
1 790 . 4 1 1 A 97 97 THR C C 131 172.742 172.879 -0.137 1
1 791 . 4 1 1 A 97 97 THR CA C 131 62.458 61.874 0.584 1
1 792 . 4 1 1 A 97 97 THR CB C 131 69.995 69.679 0.316 1
1 794 . 4 1 1 A 97 97 THR N N 131 125.280 121.314 3.966 1
1 795 . 4 1 1 A 98 98 ARG H H 132 9.286 9.239 0.047 1
1 796 . 4 1 1 A 98 98 ARG HA H 132 5.263 5.163 0.100 1
1 802 . 4 1 1 A 98 98 ARG C C 132 175.462 173.435 2.027 1
1 803 . 4 1 1 A 98 98 ARG CA C 132 53.122 54.321 -1.199 1
1 804 . 4 1 1 A 98 98 ARG CB C 132 32.555 33.963 -1.408 1
1 805 . 4 1 1 A 98 98 ARG N N 132 126.525 128.449 -1.924 1
1 806 . 4 1 1 A 99 99 ILE H H 133 9.338 8.764 0.574 1
1 807 . 4 1 1 A 99 99 ILE HA H 133 3.959 4.971 -1.012 1
1 816 . 4 1 1 A 99 99 ILE C C 133 173.860 174.360 -0.500 1
1 817 . 4 1 1 A 99 99 ILE CA C 133 59.719 59.762 -0.043 1
1 818 . 4 1 1 A 99 99 ILE CB C 133 41.429 40.957 0.472 1
1 821 . 4 1 1 A 99 99 ILE N N 133 129.483 127.048 2.435 1
1 822 . 4 1 1 A 100 100 LYS H H 134 8.457 8.945 -0.488 1
1 823 . 4 1 1 A 100 100 LYS HA H 134 4.990 5.086 -0.096 1
1 824 . 4 1 1 A 100 100 LYS C C 134 175.750 175.029 0.721 1
1 825 . 4 1 1 A 100 100 LYS CA C 134 54.548 54.752 -0.204 1
1 826 . 4 1 1 A 100 100 LYS CB C 134 32.800 34.628 -1.828 1
1 827 . 4 1 1 A 100 100 LYS N N 134 128.506 126.955 1.551 1
1 828 . 4 1 1 A 101 101 GLY H H 135 8.968 8.586 0.382 1
1 829 . 4 1 1 A 101 101 GLY HA2 H 135 5.350 4.446 0.904 1
1 830 . 4 1 1 A 101 101 GLY HA3 H 135 3.290 4.449 -1.159 1
1 831 . 4 1 1 A 101 101 GLY C C 135 171.558 172.563 -1.005 1
1 832 . 4 1 1 A 101 101 GLY CA C 135 44.286 44.876 -0.590 1
1 833 . 4 1 1 A 101 101 GLY N N 135 110.167 109.807 0.360 1
1 834 . 4 1 1 A 102 102 LYS H H 136 9.158 9.042 0.116 1
1 835 . 4 1 1 A 102 102 LYS C C 136 174.516 174.268 0.248 1
1 836 . 4 1 1 A 102 102 LYS CA C 136 53.781 54.810 -1.029 1
1 837 . 4 1 1 A 102 102 LYS CB C 136 34.807 35.762 -0.955 1
1 838 . 4 1 1 A 102 102 LYS N N 136 119.838 120.242 -0.404 1
1 839 . 4 1 1 A 103 103 GLU H H 137 8.711 8.820 -0.109 1
1 840 . 4 1 1 A 103 103 GLU HA H 137 4.709 4.639 0.070 1
1 841 . 4 1 1 A 103 103 GLU C C 137 176.875 175.970 0.905 1
1 842 . 4 1 1 A 103 103 GLU CA C 137 56.833 55.837 0.996 1
1 843 . 4 1 1 A 103 103 GLU CB C 137 30.640 32.156 -1.516 1
1 844 . 4 1 1 A 103 103 GLU N N 137 124.293 122.692 1.601 1
1 845 . 4 1 1 A 104 104 ASP H H 138 9.334 9.413 -0.079 1
1 846 . 4 1 1 A 104 104 ASP HA H 138 4.954 4.610 0.344 1
1 849 . 4 1 1 A 104 104 ASP C C 138 175.340 176.081 -0.741 1
1 850 . 4 1 1 A 104 104 ASP CA C 138 53.107 55.929 -2.822 1
1 851 . 4 1 1 A 104 104 ASP CB C 138 42.374 41.066 1.308 1
1 852 . 4 1 1 A 104 104 ASP N N 138 127.542 127.649 -0.107 1
1 853 . 4 1 1 A 105 105 GLY H H 139 7.732 8.383 -0.651 1
1 854 . 4 1 1 A 105 105 GLY HA2 H 139 4.360 4.049 0.311 1
1 855 . 4 1 1 A 105 105 GLY HA3 H 139 3.800 4.058 -0.258 1
1 856 . 4 1 1 A 105 105 GLY C C 139 172.374 174.471 -2.097 1
1 857 . 4 1 1 A 105 105 GLY CA C 139 43.800 45.747 -1.947 1
1 858 . 4 1 1 A 105 105 GLY N N 139 106.466 107.542 -1.076 1
1 859 . 4 1 1 A 106 106 ALA H H 140 8.191 8.311 -0.120 1
1 860 . 4 1 1 A 106 106 ALA HA H 140 4.564 3.958 0.606 1
1 864 . 4 1 1 A 106 106 ALA C C 140 177.004 175.932 1.072 1
1 865 . 4 1 1 A 106 106 ALA CA C 140 51.406 55.235 -3.829 1
1 866 . 4 1 1 A 106 106 ALA CB C 140 19.500 17.588 1.912 1
1 867 . 4 1 1 A 106 106 ALA N N 140 120.674 121.150 -0.476 1
1 868 . 4 1 1 A 107 107 TYR H H 141 8.458 7.858 0.600 1
1 869 . 4 1 1 A 107 107 TYR HA H 141 4.578 4.839 -0.261 1
1 873 . 4 1 1 A 107 107 TYR C C 141 174.746 177.067 -2.321 1
1 874 . 4 1 1 A 107 107 TYR CA C 141 56.554 57.320 -0.766 1
1 875 . 4 1 1 A 107 107 TYR CB C 141 38.649 40.196 -1.547 1
1 878 . 4 1 1 A 107 107 TYR N N 141 121.312 118.069 3.243 1
1 879 . 4 1 1 A 108 108 VAL H H 142 7.941 8.264 -0.323 1
1 880 . 4 1 1 A 108 108 VAL HA H 142 4.008 3.768 0.240 1
1 888 . 4 1 1 A 108 108 VAL C C 142 174.701 177.323 -2.622 1
1 889 . 4 1 1 A 108 108 VAL CA C 142 60.912 65.272 -4.360 1
1 890 . 4 1 1 A 108 108 VAL CB C 142 32.065 31.428 0.637 1
1 893 . 4 1 1 A 108 108 VAL N N 142 125.257 124.454 0.803 1
1 9 . 5 1 1 A 2 2 TYR H H 36 7.537 7.846 -0.309 1
1 10 . 5 1 1 A 2 2 TYR HA H 36 3.945 4.933 -0.988 1
1 15 . 5 1 1 A 2 2 TYR C C 36 176.000 175.224 0.776 1
1 16 . 5 1 1 A 2 2 TYR CA C 36 57.871 57.087 0.784 1
1 17 . 5 1 1 A 2 2 TYR CB C 36 37.248 40.162 -2.914 1
1 18 . 5 1 1 A 2 2 TYR N N 36 117.048 117.462 -0.414 1
1 19 . 5 1 1 A 3 3 GLU H H 37 7.718 8.945 -1.227 1
1 20 . 5 1 1 A 3 3 GLU HA H 37 4.025 4.501 -0.476 1
1 24 . 5 1 1 A 3 3 GLU C C 37 176.100 176.260 -0.160 1
1 25 . 5 1 1 A 3 3 GLU CA C 37 56.788 55.669 1.119 1
1 26 . 5 1 1 A 3 3 GLU CB C 37 29.527 27.676 1.851 1
1 28 . 5 1 1 A 3 3 GLU N N 37 118.925 125.232 -6.307 1
1 29 . 5 1 1 A 4 4 GLU H H 38 7.866 8.149 -0.283 1
1 30 . 5 1 1 A 4 4 GLU HA H 38 4.215 3.944 0.271 1
1 35 . 5 1 1 A 4 4 GLU C C 38 176.205 175.086 1.119 1
1 36 . 5 1 1 A 4 4 GLU CA C 38 55.595 59.135 -3.540 1
1 37 . 5 1 1 A 4 4 GLU CB C 38 29.162 27.685 1.477 1
1 38 . 5 1 1 A 4 4 GLU N N 38 116.623 112.831 3.792 1
1 39 . 5 1 1 A 5 5 PHE H H 39 8.087 8.178 -0.091 1
1 40 . 5 1 1 A 5 5 PHE HA H 39 4.780 4.809 -0.029 1
1 46 . 5 1 1 A 5 5 PHE C C 39 176.758 173.666 3.092 1
1 47 . 5 1 1 A 5 5 PHE CA C 39 54.914 57.796 -2.882 1
1 48 . 5 1 1 A 5 5 PHE CB C 39 36.531 42.559 -6.028 1
1 49 . 5 1 1 A 5 5 PHE N N 39 121.852 117.765 4.087 1
1 50 . 5 1 1 A 6 6 ARG HA H 40 4.515 5.269 -0.754 1
1 51 . 5 1 1 A 6 6 ARG C C 40 176.376 173.268 3.108 1
1 52 . 5 1 1 A 6 6 ARG CA C 40 56.288 54.932 1.356 1
1 53 . 5 1 1 A 6 6 ARG CB C 40 31.100 32.281 -1.181 1
1 54 . 5 1 1 A 7 7 ASP H H 41 8.851 9.353 -0.502 1
1 55 . 5 1 1 A 7 7 ASP HA H 41 5.182 5.300 -0.118 1
1 57 . 5 1 1 A 7 7 ASP C C 41 175.379 174.664 0.715 1
1 58 . 5 1 1 A 7 7 ASP CA C 41 53.324 52.461 0.863 1
1 59 . 5 1 1 A 7 7 ASP CB C 41 44.292 44.417 -0.125 1
1 60 . 5 1 1 A 7 7 ASP N N 41 119.795 125.224 -5.429 1
1 61 . 5 1 1 A 8 8 VAL H H 42 8.580 8.502 0.078 1
1 62 . 5 1 1 A 8 8 VAL HA H 42 4.856 4.589 0.267 1
1 70 . 5 1 1 A 8 8 VAL C C 42 175.170 175.351 -0.181 1
1 71 . 5 1 1 A 8 8 VAL CA C 42 61.398 61.952 -0.554 1
1 72 . 5 1 1 A 8 8 VAL CB C 42 33.643 32.424 1.219 1
1 75 . 5 1 1 A 8 8 VAL N N 42 120.042 122.486 -2.444 1
1 76 . 5 1 1 A 9 9 ILE H H 43 8.765 9.569 -0.804 1
1 77 . 5 1 1 A 9 9 ILE HA H 43 4.939 4.938 0.001 1
1 79 . 5 1 1 A 9 9 ILE C C 43 173.755 175.200 -1.445 1
1 80 . 5 1 1 A 9 9 ILE CA C 43 58.528 59.699 -1.171 1
1 81 . 5 1 1 A 9 9 ILE CB C 43 40.437 41.045 -0.608 1
1 82 . 5 1 1 A 9 9 ILE N N 43 117.778 129.067 -11.289 1
1 83 . 5 1 1 A 10 10 THR H H 44 7.834 8.085 -0.251 1
1 84 . 5 1 1 A 10 10 THR HA H 44 4.709 4.699 0.010 1
1 87 . 5 1 1 A 10 10 THR C C 44 173.691 173.786 -0.095 1
1 88 . 5 1 1 A 10 10 THR CA C 44 61.662 61.559 0.103 1
1 89 . 5 1 1 A 10 10 THR CB C 44 70.906 69.869 1.037 1
1 91 . 5 1 1 A 10 10 THR N N 44 116.613 120.592 -3.979 1
1 92 . 5 1 1 A 11 11 PHE H H 45 8.821 8.862 -0.041 1
1 93 . 5 1 1 A 11 11 PHE HA H 45 4.807 5.089 -0.282 1
1 94 . 5 1 1 A 11 11 PHE C C 45 175.619 175.132 0.487 1
1 95 . 5 1 1 A 11 11 PHE CA C 45 57.779 56.175 1.604 1
1 96 . 5 1 1 A 11 11 PHE CB C 45 39.649 41.086 -1.437 1
1 97 . 5 1 1 A 11 11 PHE N N 45 125.155 125.715 -0.560 1
1 98 . 5 1 1 A 12 12 GLN H H 46 9.103 8.663 0.440 1
1 99 . 5 1 1 A 12 12 GLN HA H 46 5.573 5.158 0.415 1
1 103 . 5 1 1 A 12 12 GLN C C 46 175.011 174.367 0.644 1
1 104 . 5 1 1 A 12 12 GLN CA C 46 54.423 54.230 0.193 1
1 105 . 5 1 1 A 12 12 GLN CB C 46 34.467 32.437 2.030 1
1 106 . 5 1 1 A 12 12 GLN N N 46 119.069 121.432 -2.363 1
1 107 . 5 1 1 A 13 13 SER H H 47 8.730 8.933 -0.203 1
1 108 . 5 1 1 A 13 13 SER HA H 47 5.229 5.682 -0.453 1
1 110 . 5 1 1 A 13 13 SER C C 47 171.559 172.134 -0.575 1
1 111 . 5 1 1 A 13 13 SER CA C 47 56.514 56.314 0.200 1
1 112 . 5 1 1 A 13 13 SER CB C 47 66.075 66.184 -0.109 1
1 113 . 5 1 1 A 13 13 SER N N 47 114.734 116.704 -1.970 1
1 114 . 5 1 1 A 14 14 TYR H H 48 8.544 8.808 -0.264 1
1 115 . 5 1 1 A 14 14 TYR HA H 48 4.256 4.847 -0.591 1
1 120 . 5 1 1 A 14 14 TYR C C 48 175.437 173.637 1.800 1
1 121 . 5 1 1 A 14 14 TYR CA C 48 56.137 55.215 0.922 1
1 122 . 5 1 1 A 14 14 TYR CB C 48 36.242 40.831 -4.589 1
1 125 . 5 1 1 A 14 14 TYR N N 48 126.962 127.490 -0.528 1
1 126 . 5 1 1 A 15 15 VAL H H 49 8.537 8.984 -0.447 1
1 127 . 5 1 1 A 15 15 VAL HA H 49 4.360 4.565 -0.205 1
1 132 . 5 1 1 A 15 15 VAL C C 49 174.600 174.578 0.022 1
1 133 . 5 1 1 A 15 15 VAL CA C 49 62.600 61.151 1.449 1
1 134 . 5 1 1 A 15 15 VAL CB C 49 35.100 32.834 2.266 1
1 136 . 5 1 1 A 15 15 VAL N N 49 123.837 128.016 -4.179 1
1 137 . 5 1 1 A 16 16 GLU H H 50 8.296 8.828 -0.532 1
1 138 . 5 1 1 A 16 16 GLU HA H 50 3.702 5.030 -1.328 1
1 142 . 5 1 1 A 16 16 GLU C C 50 175.947 174.836 1.111 1
1 143 . 5 1 1 A 16 16 GLU CA C 50 55.400 54.376 1.024 1
1 144 . 5 1 1 A 16 16 GLU CB C 50 30.100 32.284 -2.184 1
1 145 . 5 1 1 A 16 16 GLU N N 50 124.989 124.698 0.291 1
1 146 . 5 1 1 A 17 17 GLN H H 51 8.529 8.099 0.430 1
1 147 . 5 1 1 A 17 17 GLN HA H 51 4.415 4.689 -0.274 1
1 151 . 5 1 1 A 17 17 GLN C C 51 175.122 173.417 1.705 1
1 152 . 5 1 1 A 17 17 GLN CA C 51 54.060 55.356 -1.296 1
1 153 . 5 1 1 A 17 17 GLN CB C 51 29.943 32.965 -3.022 1
1 155 . 5 1 1 A 17 17 GLN N N 51 124.656 121.394 3.262 1
1 156 . 5 1 1 A 18 18 SER HA H 52 4.420 4.897 -0.477 1
1 157 . 5 1 1 A 18 18 SER C C 52 173.505 174.608 -1.103 1
1 158 . 5 1 1 A 18 18 SER CA C 52 58.279 56.588 1.691 1
1 159 . 5 1 1 A 18 18 SER CB C 52 63.835 64.307 -0.472 1
1 160 . 5 1 1 A 19 19 ASN H H 53 8.109 8.970 -0.861 1
1 161 . 5 1 1 A 19 19 ASN HA H 53 4.399 4.969 -0.570 1
1 164 . 5 1 1 A 19 19 ASN C C 53 179.837 175.089 4.748 1
1 165 . 5 1 1 A 19 19 ASN CA C 53 54.664 52.393 2.271 1
1 166 . 5 1 1 A 19 19 ASN CB C 53 39.983 39.269 0.714 1
1 167 . 5 1 1 A 19 19 ASN N N 53 126.199 124.669 1.530 1
1 168 . 5 1 1 A 20 20 GLY H H 54 8.166 8.193 -0.027 1
1 169 . 5 1 1 A 20 20 GLY HA2 H 54 3.911 4.008 -0.097 1
1 170 . 5 1 1 A 20 20 GLY C C 54 174.876 173.112 1.764 1
1 171 . 5 1 1 A 20 20 GLY CA C 54 45.206 45.416 -0.210 1
1 172 . 5 1 1 A 20 20 GLY N N 54 113.067 106.760 6.307 1
1 173 . 5 1 1 A 22 22 GLY CA C 56 45.279 45.470 -0.191 1
1 174 . 5 1 1 A 23 23 GLY H H 57 8.235 8.573 -0.338 1
1 175 . 5 1 1 A 23 23 GLY HA2 H 57 3.929 3.959 -0.030 1
1 176 . 5 1 1 A 23 23 GLY C C 57 173.796 174.140 -0.344 1
1 177 . 5 1 1 A 23 23 GLY CA C 57 45.348 46.279 -0.931 1
1 178 . 5 1 1 A 23 23 GLY N N 57 108.389 108.800 -0.411 1
1 179 . 5 1 1 A 24 24 LYS HA H 58 4.804 4.540 0.264 1
1 180 . 5 1 1 A 24 24 LYS C C 58 175.908 175.337 0.571 1
1 181 . 5 1 1 A 24 24 LYS CA C 58 54.833 56.119 -1.286 1
1 182 . 5 1 1 A 24 24 LYS CB C 58 34.402 31.817 2.585 1
1 183 . 5 1 1 A 25 25 THR H H 59 8.413 8.034 0.379 1
1 184 . 5 1 1 A 25 25 THR HA H 59 4.482 4.763 -0.281 1
1 187 . 5 1 1 A 25 25 THR C C 59 171.934 172.298 -0.364 1
1 188 . 5 1 1 A 25 25 THR CA C 59 60.144 59.414 0.730 1
1 189 . 5 1 1 A 25 25 THR CB C 59 71.035 70.917 0.118 1
1 191 . 5 1 1 A 25 25 THR N N 59 115.947 116.164 -0.217 1
1 192 . 5 1 1 A 26 26 TYR H H 60 8.182 8.244 -0.062 1
1 193 . 5 1 1 A 26 26 TYR HA H 60 4.883 5.550 -0.667 1
1 198 . 5 1 1 A 26 26 TYR C C 60 173.593 172.596 0.997 1
1 199 . 5 1 1 A 26 26 TYR CA C 60 54.043 55.456 -1.413 1
1 200 . 5 1 1 A 26 26 TYR CB C 60 40.100 41.787 -1.687 1
1 202 . 5 1 1 A 26 26 TYR N N 60 121.985 124.208 -2.223 1
1 203 . 5 1 1 A 27 27 LYS H H 61 8.385 8.908 -0.523 1
1 204 . 5 1 1 A 27 27 LYS HA H 61 4.563 5.211 -0.648 1
1 205 . 5 1 1 A 27 27 LYS C C 61 174.186 174.536 -0.350 1
1 206 . 5 1 1 A 27 27 LYS CA C 61 54.589 55.103 -0.514 1
1 207 . 5 1 1 A 27 27 LYS CB C 61 35.801 36.295 -0.494 1
1 208 . 5 1 1 A 27 27 LYS N N 61 120.203 120.600 -0.397 1
1 209 . 5 1 1 A 28 28 TRP H H 62 8.524 9.116 -0.592 1
1 210 . 5 1 1 A 28 28 TRP HA H 62 5.361 5.528 -0.167 1
1 215 . 5 1 1 A 28 28 TRP C C 62 176.934 176.429 0.505 1
1 216 . 5 1 1 A 28 28 TRP CA C 62 56.499 55.471 1.028 1
1 217 . 5 1 1 A 28 28 TRP CB C 62 29.300 31.624 -2.324 1
1 218 . 5 1 1 A 28 28 TRP N N 62 122.913 126.870 -3.957 1
1 220 . 5 1 1 A 29 29 VAL H H 63 9.470 8.919 0.551 1
1 221 . 5 1 1 A 29 29 VAL HA H 63 4.626 5.122 -0.496 1
1 229 . 5 1 1 A 29 29 VAL C C 63 175.264 173.531 1.733 1
1 230 . 5 1 1 A 29 29 VAL CA C 63 59.163 59.198 -0.035 1
1 231 . 5 1 1 A 29 29 VAL CB C 63 34.759 35.521 -0.762 1
1 234 . 5 1 1 A 29 29 VAL N N 63 120.454 117.706 2.748 1
1 235 . 5 1 1 A 30 30 ASP H H 64 8.576 8.779 -0.203 1
1 236 . 5 1 1 A 30 30 ASP HA H 64 4.386 5.107 -0.721 1
1 237 . 5 1 1 A 30 30 ASP C C 64 174.186 175.918 -1.732 1
1 238 . 5 1 1 A 30 30 ASP CA C 64 55.907 53.306 2.601 1
1 239 . 5 1 1 A 30 30 ASP CB C 64 39.942 42.888 -2.946 1
1 240 . 5 1 1 A 30 30 ASP N N 64 123.588 124.053 -0.465 1
1 241 . 5 1 1 A 31 31 GLU H H 65 9.482 9.209 0.273 1
1 242 . 5 1 1 A 31 31 GLU HA H 65 4.674 4.541 0.133 1
1 246 . 5 1 1 A 31 31 GLU C C 65 176.000 176.316 -0.316 1
1 247 . 5 1 1 A 31 31 GLU CA C 65 57.263 58.203 -0.940 1
1 248 . 5 1 1 A 31 31 GLU CB C 65 30.200 31.352 -1.152 1
1 250 . 5 1 1 A 31 31 GLU N N 65 124.008 125.898 -1.890 1
1 251 . 5 1 1 A 32 32 PHE H H 66 7.257 7.478 -0.221 1
1 252 . 5 1 1 A 32 32 PHE HA H 66 4.940 5.124 -0.184 1
1 254 . 5 1 1 A 32 32 PHE C C 66 172.742 172.534 0.208 1
1 255 . 5 1 1 A 32 32 PHE CA C 66 56.316 56.542 -0.226 1
1 256 . 5 1 1 A 32 32 PHE CB C 66 38.948 40.785 -1.837 1
1 257 . 5 1 1 A 32 32 PHE N N 66 110.866 112.747 -1.881 1
1 258 . 5 1 1 A 33 33 THR H H 67 8.603 8.834 -0.231 1
1 259 . 5 1 1 A 33 33 THR HA H 67 5.377 5.233 0.144 1
1 262 . 5 1 1 A 33 33 THR C C 67 173.388 172.334 1.054 1
1 263 . 5 1 1 A 33 33 THR CA C 67 60.207 60.245 -0.038 1
1 264 . 5 1 1 A 33 33 THR CB C 67 71.620 71.515 0.105 1
1 266 . 5 1 1 A 33 33 THR N N 67 114.847 114.602 0.245 1
1 267 . 5 1 1 A 34 34 ALA H H 68 9.185 8.657 0.528 1
1 268 . 5 1 1 A 34 34 ALA HA H 68 4.873 4.918 -0.045 1
1 272 . 5 1 1 A 34 34 ALA C C 68 174.999 175.862 -0.863 1
1 273 . 5 1 1 A 34 34 ALA CA C 68 50.660 51.511 -0.851 1
1 274 . 5 1 1 A 34 34 ALA CB C 68 23.911 23.771 0.140 1
1 275 . 5 1 1 A 34 34 ALA N N 68 125.817 128.918 -3.101 1
1 276 . 5 1 1 A 35 35 ALA H H 69 8.347 8.506 -0.159 1
1 277 . 5 1 1 A 35 35 ALA HA H 69 4.889 5.048 -0.159 1
1 281 . 5 1 1 A 35 35 ALA C C 69 176.937 177.056 -0.119 1
1 282 . 5 1 1 A 35 35 ALA CA C 69 51.329 51.716 -0.387 1
1 283 . 5 1 1 A 35 35 ALA CB C 69 19.210 20.030 -0.820 1
1 284 . 5 1 1 A 35 35 ALA N N 69 122.342 122.364 -0.022 1
1 285 . 5 1 1 A 36 36 ALA H H 70 8.468 9.145 -0.677 1
1 286 . 5 1 1 A 36 36 ALA HA H 70 4.996 4.675 0.321 1
1 290 . 5 1 1 A 36 36 ALA C C 70 175.102 175.296 -0.194 1
1 291 . 5 1 1 A 36 36 ALA CA C 70 50.876 51.548 -0.672 1
1 292 . 5 1 1 A 36 36 ALA CB C 70 23.556 23.348 0.208 1
1 293 . 5 1 1 A 36 36 ALA N N 70 120.267 124.912 -4.645 1
1 294 . 5 1 1 A 37 37 HIS H H 71 9.136 8.166 0.970 1
1 295 . 5 1 1 A 37 37 HIS HA H 71 5.343 5.483 -0.140 1
1 298 . 5 1 1 A 37 37 HIS C C 71 174.002 173.346 0.656 1
1 299 . 5 1 1 A 37 37 HIS CA C 71 54.803 54.396 0.407 1
1 300 . 5 1 1 A 37 37 HIS CB C 71 32.322 33.270 -0.948 1
1 301 . 5 1 1 A 37 37 HIS N N 71 119.360 119.222 0.138 1
1 302 . 5 1 1 A 38 38 VAL H H 72 8.557 8.947 -0.390 1
1 303 . 5 1 1 A 38 38 VAL HA H 72 4.174 4.380 -0.206 1
1 311 . 5 1 1 A 38 38 VAL C C 72 174.000 174.080 -0.080 1
1 312 . 5 1 1 A 38 38 VAL CA C 72 61.587 61.114 0.473 1
1 313 . 5 1 1 A 38 38 VAL CB C 72 31.381 32.143 -0.762 1
1 316 . 5 1 1 A 38 38 VAL N N 72 127.947 127.694 0.253 1
1 317 . 5 1 1 A 39 39 GLN H H 73 8.971 8.774 0.197 1
1 318 . 5 1 1 A 39 39 GLN HA H 73 5.019 4.571 0.448 1
1 321 . 5 1 1 A 39 39 GLN C C 73 173.260 174.316 -1.056 1
1 322 . 5 1 1 A 39 39 GLN CA C 73 51.310 52.173 -0.863 1
1 323 . 5 1 1 A 39 39 GLN CB C 73 30.955 31.668 -0.713 1
1 324 . 5 1 1 A 39 39 GLN N N 73 127.985 128.037 -0.052 1
1 325 . 5 1 1 A 40 40 PRO HA H 74 4.707 3.727 0.980 1
1 329 . 5 1 1 A 40 40 PRO C C 74 3.820 176.661 -172.841 1
1 330 . 5 1 1 A 40 40 PRO CA C 74 176.828 62.011 114.817 1
1 331 . 5 1 1 A 40 40 PRO CB C 74 62.215 32.121 30.094 1
1 333 . 5 1 1 A 40 40 PRO N N 74 50.800 138.124 -87.324 1
1 334 . 5 1 1 A 41 41 ILE H H 75 8.105 7.784 0.321 1
1 335 . 5 1 1 A 41 41 ILE HA H 75 4.074 3.991 0.083 1
1 338 . 5 1 1 A 41 41 ILE C C 75 175.881 175.958 -0.077 1
1 339 . 5 1 1 A 41 41 ILE CA C 75 61.399 60.958 0.441 1
1 340 . 5 1 1 A 41 41 ILE CB C 75 38.214 36.926 1.288 1
1 342 . 5 1 1 A 41 41 ILE N N 75 122.818 118.969 3.849 1
1 343 . 5 1 1 A 43 43 GLN HA H 77 4.267 4.473 -0.206 1
1 344 . 5 1 1 A 43 43 GLN C C 77 176.255 175.989 0.266 1
1 345 . 5 1 1 A 43 43 GLN CA C 77 56.500 54.512 1.988 1
1 346 . 5 1 1 A 43 43 GLN CB C 77 29.100 30.085 -0.985 1
1 347 . 5 1 1 A 44 44 GLU H H 78 8.458 8.502 -0.044 1
1 348 . 5 1 1 A 44 44 GLU HA H 78 4.184 4.383 -0.199 1
1 351 . 5 1 1 A 44 44 GLU C C 78 177.000 176.315 0.685 1
1 352 . 5 1 1 A 44 44 GLU CA C 78 57.400 55.965 1.435 1
1 353 . 5 1 1 A 44 44 GLU CB C 78 29.148 29.505 -0.357 1
1 355 . 5 1 1 A 44 44 GLU N N 78 120.627 121.615 -0.988 1
1 356 . 5 1 1 A 45 45 GLU H H 79 8.283 8.002 0.281 1
1 357 . 5 1 1 A 45 45 GLU HA H 79 4.121 4.116 0.005 1
1 360 . 5 1 1 A 45 45 GLU C C 79 176.972 176.662 0.310 1
1 361 . 5 1 1 A 45 45 GLU CA C 79 57.106 57.861 -0.755 1
1 362 . 5 1 1 A 45 45 GLU CB C 79 29.680 27.686 1.994 1
1 364 . 5 1 1 A 45 45 GLU N N 79 119.997 117.947 2.050 1
1 365 . 5 1 1 A 46 46 TYR H H 80 7.961 8.076 -0.115 1
1 366 . 5 1 1 A 46 46 TYR HA H 80 4.369 4.553 -0.184 1
1 369 . 5 1 1 A 46 46 TYR C C 80 176.086 175.673 0.413 1
1 370 . 5 1 1 A 46 46 TYR CA C 80 58.284 59.762 -1.478 1
1 371 . 5 1 1 A 46 46 TYR CB C 80 38.214 38.326 -0.112 1
1 372 . 5 1 1 A 46 46 TYR N N 80 119.582 119.144 0.438 1
1 373 . 5 1 1 A 47 47 TYR H H 81 7.918 7.633 0.285 1
1 374 . 5 1 1 A 47 47 TYR HA H 81 4.399 5.116 -0.717 1
1 378 . 5 1 1 A 47 47 TYR C C 81 176.566 174.548 2.018 1
1 379 . 5 1 1 A 47 47 TYR CA C 81 58.479 56.226 2.253 1
1 380 . 5 1 1 A 47 47 TYR CB C 81 38.042 42.013 -3.971 1
1 381 . 5 1 1 A 47 47 TYR N N 81 119.336 116.614 2.722 1
1 382 . 5 1 1 A 48 48 LYS HA H 82 4.090 3.963 0.127 1
1 383 . 5 1 1 A 48 48 LYS C C 82 176.894 176.021 0.873 1
1 384 . 5 1 1 A 48 48 LYS CA C 82 56.786 57.029 -0.243 1
1 385 . 5 1 1 A 48 48 LYS CB C 82 32.306 29.059 3.247 1
1 386 . 5 1 1 A 49 49 ALA H H 83 7.999 8.023 -0.024 1
1 387 . 5 1 1 A 49 49 ALA HA H 83 4.178 4.425 -0.247 1
1 391 . 5 1 1 A 49 49 ALA C C 83 178.193 177.934 0.259 1
1 392 . 5 1 1 A 49 49 ALA CA C 83 52.825 51.683 1.142 1
1 393 . 5 1 1 A 49 49 ALA CB C 83 18.200 19.092 -0.892 1
1 394 . 5 1 1 A 49 49 ALA N N 83 122.394 119.263 3.131 1
1 395 . 5 1 1 A 50 50 GLN H H 84 8.006 8.196 -0.190 1
1 396 . 5 1 1 A 50 50 GLN HA H 84 4.167 4.372 -0.205 1
1 400 . 5 1 1 A 50 50 GLN C C 84 176.200 175.049 1.151 1
1 401 . 5 1 1 A 50 50 GLN CA C 84 56.016 55.756 0.260 1
1 402 . 5 1 1 A 50 50 GLN CB C 84 28.467 28.365 0.102 1
1 404 . 5 1 1 A 50 50 GLN N N 84 116.623 117.130 -0.507 1
1 405 . 5 1 1 A 51 51 GLN H H 85 8.085 7.697 0.388 1
1 406 . 5 1 1 A 51 51 GLN HA H 85 4.223 4.595 -0.372 1
1 410 . 5 1 1 A 51 51 GLN CA C 85 56.393 54.909 1.484 1
1 411 . 5 1 1 A 51 51 GLN CB C 85 28.600 30.895 -2.295 1
1 413 . 5 1 1 A 51 51 GLN N N 85 118.681 116.513 2.168 1
1 414 . 5 1 1 A 53 53 GLN HA H 87 4.268 4.678 -0.410 1
1 415 . 5 1 1 A 53 53 GLN C C 87 175.517 173.309 2.208 1
1 416 . 5 1 1 A 53 53 GLN CA C 87 55.821 55.180 0.641 1
1 417 . 5 1 1 A 53 53 GLN CB C 87 28.296 32.389 -4.093 1
1 418 . 5 1 1 A 54 54 THR H H 88 7.950 8.682 -0.732 1
1 419 . 5 1 1 A 54 54 THR HA H 88 4.540 5.045 -0.505 1
1 422 . 5 1 1 A 54 54 THR C C 88 172.445 172.268 0.177 1
1 423 . 5 1 1 A 54 54 THR CA C 88 59.184 57.886 1.298 1
1 424 . 5 1 1 A 54 54 THR CB C 88 69.534 72.243 -2.709 1
1 426 . 5 1 1 A 54 54 THR N N 88 116.337 115.471 0.866 1
1 427 . 5 1 1 A 55 55 PRO HA H 89 4.410 4.873 -0.463 1
1 431 . 5 1 1 A 55 55 PRO C C 89 3.600 175.275 -171.675 1
1 432 . 5 1 1 A 55 55 PRO CA C 89 176.508 62.454 114.054 1
1 433 . 5 1 1 A 55 55 PRO CB C 89 62.325 32.431 29.894 1
1 436 . 5 1 1 A 55 55 PRO N N 89 50.400 139.094 -88.694 1
1 437 . 5 1 1 A 56 56 ILE H H 90 8.247 8.582 -0.335 1
1 438 . 5 1 1 A 56 56 ILE HA H 90 3.993 5.052 -1.059 1
1 443 . 5 1 1 A 56 56 ILE C C 90 175.132 174.591 0.541 1
1 444 . 5 1 1 A 56 56 ILE CA C 90 60.718 59.341 1.377 1
1 445 . 5 1 1 A 56 56 ILE CB C 90 38.277 42.464 -4.187 1
1 447 . 5 1 1 A 56 56 ILE N N 90 121.921 123.091 -1.170 1
1 448 . 5 1 1 A 57 57 GLY H H 91 7.820 8.225 -0.405 1
1 449 . 5 1 1 A 57 57 GLY HA2 H 91 4.550 4.207 0.343 1
1 450 . 5 1 1 A 57 57 GLY HA3 H 91 3.640 4.322 -0.682 1
1 451 . 5 1 1 A 57 57 GLY C C 91 172.184 171.360 0.824 1
1 452 . 5 1 1 A 57 57 GLY CA C 91 43.575 46.023 -2.448 1
1 453 . 5 1 1 A 57 57 GLY N N 91 110.987 112.545 -1.558 1
1 454 . 5 1 1 A 58 58 TYR H H 92 8.593 8.494 0.099 1
1 455 . 5 1 1 A 58 58 TYR HA H 92 5.166 5.426 -0.260 1
1 460 . 5 1 1 A 58 58 TYR C C 92 175.122 174.207 0.915 1
1 461 . 5 1 1 A 58 58 TYR CA C 92 56.544 56.545 -0.001 1
1 462 . 5 1 1 A 58 58 TYR CB C 92 43.819 43.639 0.180 1
1 465 . 5 1 1 A 58 58 TYR N N 92 116.307 119.263 -2.956 1
1 466 . 5 1 1 A 59 59 ASN H H 93 8.964 9.187 -0.223 1
1 467 . 5 1 1 A 59 59 ASN HA H 93 5.116 5.741 -0.625 1
1 470 . 5 1 1 A 59 59 ASN C C 93 173.457 173.861 -0.404 1
1 471 . 5 1 1 A 59 59 ASN CA C 93 52.717 51.872 0.845 1
1 472 . 5 1 1 A 59 59 ASN CB C 93 40.420 41.419 -0.999 1
1 473 . 5 1 1 A 59 59 ASN N N 93 119.232 119.639 -0.407 1
1 474 . 5 1 1 A 60 60 ILE H H 94 9.013 8.863 0.150 1
1 475 . 5 1 1 A 60 60 ILE HA H 94 4.383 4.932 -0.549 1
1 476 . 5 1 1 A 60 60 ILE C C 94 173.370 174.524 -1.154 1
1 477 . 5 1 1 A 60 60 ILE CA C 94 60.231 59.896 0.335 1
1 478 . 5 1 1 A 60 60 ILE CB C 94 38.728 42.238 -3.510 1
1 479 . 5 1 1 A 60 60 ILE N N 94 123.021 125.456 -2.435 1
1 480 . 5 1 1 A 61 61 TYR H H 95 8.867 8.694 0.173 1
1 481 . 5 1 1 A 61 61 TYR HA H 95 5.279 5.843 -0.564 1
1 486 . 5 1 1 A 61 61 TYR C C 95 174.262 174.638 -0.376 1
1 487 . 5 1 1 A 61 61 TYR CA C 95 55.732 55.382 0.350 1
1 488 . 5 1 1 A 61 61 TYR CB C 95 39.723 41.801 -2.078 1
1 491 . 5 1 1 A 61 61 TYR N N 95 125.343 123.059 2.284 1
1 492 . 5 1 1 A 62 62 THR H H 96 8.998 8.716 0.282 1
1 493 . 5 1 1 A 62 62 THR HA H 96 4.889 4.813 0.076 1
1 496 . 5 1 1 A 62 62 THR C C 96 172.708 172.242 0.466 1
1 497 . 5 1 1 A 62 62 THR CA C 96 58.248 59.233 -0.985 1
1 498 . 5 1 1 A 62 62 THR CB C 96 73.097 71.949 1.148 1
1 500 . 5 1 1 A 62 62 THR N N 96 119.223 117.460 1.763 1
1 501 . 5 1 1 A 63 63 PRO HA H 97 4.410 4.721 -0.311 1
1 503 . 5 1 1 A 63 63 PRO C C 97 3.190 177.609 -174.419 1
1 504 . 5 1 1 A 63 63 PRO CA C 97 175.250 63.168 112.082 1
1 505 . 5 1 1 A 63 63 PRO CB C 97 63.642 32.393 31.249 1
1 507 . 5 1 1 A 63 63 PRO N N 97 51.700 138.320 -86.620 1
1 508 . 5 1 1 A 64 64 TYR H H 98 7.826 9.257 -1.431 1
1 509 . 5 1 1 A 64 64 TYR HA H 98 4.265 4.160 0.105 1
1 514 . 5 1 1 A 64 64 TYR C C 98 175.150 173.802 1.348 1
1 515 . 5 1 1 A 64 64 TYR CA C 98 59.434 59.477 -0.043 1
1 516 . 5 1 1 A 64 64 TYR CB C 98 37.240 37.618 -0.378 1
1 518 . 5 1 1 A 64 64 TYR N N 98 122.118 122.636 -0.518 1
1 519 . 5 1 1 A 65 65 ASP H H 99 5.931 8.101 -2.170 1
1 520 . 5 1 1 A 65 65 ASP HA H 99 4.255 4.483 -0.228 1
1 523 . 5 1 1 A 65 65 ASP C C 99 176.079 175.526 0.553 1
1 524 . 5 1 1 A 65 65 ASP CA C 99 52.885 53.068 -0.183 1
1 525 . 5 1 1 A 65 65 ASP CB C 99 43.486 40.622 2.864 1
1 526 . 5 1 1 A 65 65 ASP N N 99 125.409 120.694 4.715 1
1 527 . 5 1 1 A 66 66 ASP H H 100 8.703 8.717 -0.014 1
1 528 . 5 1 1 A 66 66 ASP HA H 100 4.058 4.553 -0.495 1
1 531 . 5 1 1 A 66 66 ASP C C 100 176.300 175.165 1.135 1
1 532 . 5 1 1 A 66 66 ASP CA C 100 55.332 53.596 1.736 1
1 533 . 5 1 1 A 66 66 ASP CB C 100 40.206 40.103 0.103 1
1 534 . 5 1 1 A 66 66 ASP N N 100 128.295 124.948 3.347 1
1 535 . 5 1 1 A 67 67 ARG H H 101 8.832 7.557 1.275 1
1 536 . 5 1 1 A 67 67 ARG HA H 101 3.944 4.317 -0.373 1
1 538 . 5 1 1 A 67 67 ARG C C 101 177.624 178.110 -0.486 1
1 539 . 5 1 1 A 67 67 ARG CA C 101 56.509 57.507 -0.998 1
1 540 . 5 1 1 A 67 67 ARG CB C 101 31.162 30.826 0.336 1
1 541 . 5 1 1 A 67 67 ARG N N 101 117.507 120.041 -2.534 1
1 542 . 5 1 1 A 68 68 ILE H H 102 7.004 7.865 -0.861 1
1 543 . 5 1 1 A 68 68 ILE HA H 102 3.507 3.960 -0.453 1
1 548 . 5 1 1 A 68 68 ILE C C 102 174.835 176.196 -1.361 1
1 549 . 5 1 1 A 68 68 ILE CA C 102 63.638 64.570 -0.932 1
1 550 . 5 1 1 A 68 68 ILE CB C 102 36.617 37.617 -1.000 1
1 552 . 5 1 1 A 68 68 ILE N N 102 116.003 118.346 -2.343 1
1 553 . 5 1 1 A 69 69 ASP H H 103 8.026 8.229 -0.203 1
1 554 . 5 1 1 A 69 69 ASP HA H 103 4.954 4.831 0.123 1
1 557 . 5 1 1 A 69 69 ASP C C 103 175.574 174.310 1.264 1
1 558 . 5 1 1 A 69 69 ASP CA C 103 52.485 52.361 0.124 1
1 559 . 5 1 1 A 69 69 ASP CB C 103 45.984 42.151 3.833 1
1 560 . 5 1 1 A 69 69 ASP N N 103 129.672 121.865 7.807 1
1 561 . 5 1 1 A 70 70 LYS H H 104 8.505 8.825 -0.320 1
1 562 . 5 1 1 A 70 70 LYS C C 104 175.300 175.915 -0.615 1
1 563 . 5 1 1 A 70 70 LYS CA C 104 58.027 55.313 2.714 1
1 564 . 5 1 1 A 70 70 LYS CB C 104 31.376 32.707 -1.331 1
1 565 . 5 1 1 A 70 70 LYS N N 104 119.646 126.373 -6.727 1
1 566 . 5 1 1 A 71 71 LYS H H 105 8.653 8.120 0.533 1
1 567 . 5 1 1 A 71 71 LYS HA H 105 4.513 3.932 0.581 1
1 571 . 5 1 1 A 71 71 LYS C C 105 178.190 174.794 3.396 1
1 572 . 5 1 1 A 71 71 LYS CA C 105 56.415 57.114 -0.699 1
1 573 . 5 1 1 A 71 71 LYS CB C 105 30.942 29.620 1.322 1
1 575 . 5 1 1 A 71 71 LYS N N 105 118.554 114.536 4.018 1
1 576 . 5 1 1 A 72 72 MET H H 106 7.596 7.383 0.213 1
1 577 . 5 1 1 A 72 72 MET HA H 106 5.019 5.510 -0.491 1
1 578 . 5 1 1 A 72 72 MET C C 106 172.309 174.360 -2.051 1
1 579 . 5 1 1 A 72 72 MET CA C 106 56.500 54.274 2.226 1
1 580 . 5 1 1 A 72 72 MET CB C 106 34.892 37.727 -2.835 1
1 581 . 5 1 1 A 72 72 MET N N 106 119.949 116.987 2.962 1
1 582 . 5 1 1 A 73 73 ARG H H 107 8.266 9.220 -0.954 1
1 583 . 5 1 1 A 73 73 ARG HA H 107 4.075 5.138 -1.063 1
1 585 . 5 1 1 A 73 73 ARG C C 107 172.995 174.256 -1.261 1
1 586 . 5 1 1 A 73 73 ARG CA C 107 53.348 54.602 -1.254 1
1 587 . 5 1 1 A 73 73 ARG CB C 107 31.579 33.641 -2.062 1
1 588 . 5 1 1 A 73 73 ARG N N 107 112.423 123.057 -10.634 1
1 589 . 5 1 1 A 74 74 VAL H H 108 8.371 8.548 -0.177 1
1 590 . 5 1 1 A 74 74 VAL HA H 108 4.954 4.725 0.229 1
1 598 . 5 1 1 A 74 74 VAL C C 108 173.137 173.616 -0.479 1
1 599 . 5 1 1 A 74 74 VAL CA C 108 58.400 59.302 -0.902 1
1 600 . 5 1 1 A 74 74 VAL CB C 108 35.700 35.632 0.068 1
1 603 . 5 1 1 A 74 74 VAL N N 108 117.751 124.934 -7.183 1
1 604 . 5 1 1 A 75 75 ILE H H 109 8.644 8.453 0.191 1
1 605 . 5 1 1 A 75 75 ILE HA H 109 4.772 4.661 0.111 1
1 610 . 5 1 1 A 75 75 ILE C C 109 176.377 173.904 2.473 1
1 611 . 5 1 1 A 75 75 ILE CA C 109 57.500 59.978 -2.478 1
1 612 . 5 1 1 A 75 75 ILE CB C 109 35.550 38.478 -2.928 1
1 614 . 5 1 1 A 75 75 ILE N N 109 122.741 128.111 -5.370 1
1 615 . 5 1 1 A 76 76 TYR H H 110 8.928 8.890 0.038 1
1 616 . 5 1 1 A 76 76 TYR HA H 110 4.873 4.842 0.031 1
1 621 . 5 1 1 A 76 76 TYR C C 110 173.400 175.466 -2.066 1
1 622 . 5 1 1 A 76 76 TYR CA C 110 54.699 57.083 -2.384 1
1 623 . 5 1 1 A 76 76 TYR CB C 110 40.392 39.171 1.221 1
1 626 . 5 1 1 A 76 76 TYR N N 110 129.091 128.786 0.305 1
1 627 . 5 1 1 A 77 77 ARG H H 111 9.206 9.059 0.147 1
1 628 . 5 1 1 A 77 77 ARG HA H 111 3.537 3.906 -0.369 1
1 633 . 5 1 1 A 77 77 ARG C C 111 176.065 175.245 0.820 1
1 634 . 5 1 1 A 77 77 ARG CA C 111 56.490 56.993 -0.503 1
1 635 . 5 1 1 A 77 77 ARG CB C 111 27.448 29.078 -1.630 1
1 636 . 5 1 1 A 77 77 ARG N N 111 126.774 126.991 -0.217 1
1 637 . 5 1 1 A 78 78 GLY H H 112 8.155 8.409 -0.254 1
1 638 . 5 1 1 A 78 78 GLY HA2 H 112 4.040 3.779 0.261 1
1 639 . 5 1 1 A 78 78 GLY HA3 H 112 3.540 3.780 -0.240 1
1 640 . 5 1 1 A 78 78 GLY C C 112 173.810 173.711 0.099 1
1 641 . 5 1 1 A 78 78 GLY CA C 112 45.284 45.349 -0.065 1
1 642 . 5 1 1 A 78 78 GLY N N 112 102.172 105.048 -2.876 1
1 643 . 5 1 1 A 79 79 LYS HA H 113 3.910 4.438 -0.528 1
1 644 . 5 1 1 A 79 79 LYS C C 113 174.750 175.581 -0.831 1
1 645 . 5 1 1 A 79 79 LYS CA C 113 53.808 55.103 -1.295 1
1 646 . 5 1 1 A 79 79 LYS CB C 113 33.298 34.098 -0.800 1
1 647 . 5 1 1 A 80 80 ILE H H 114 8.484 8.805 -0.321 1
1 648 . 5 1 1 A 80 80 ILE HA H 114 3.860 4.852 -0.992 1
1 653 . 5 1 1 A 80 80 ILE C C 114 174.732 175.163 -0.431 1
1 654 . 5 1 1 A 80 80 ILE CA C 114 61.130 60.167 0.963 1
1 655 . 5 1 1 A 80 80 ILE CB C 114 37.740 39.100 -1.360 1
1 657 . 5 1 1 A 80 80 ILE N N 114 121.186 121.913 -0.727 1
1 658 . 5 1 1 A 81 81 VAL H H 115 9.395 8.602 0.793 1
1 659 . 5 1 1 A 81 81 VAL HA H 115 4.645 4.924 -0.279 1
1 664 . 5 1 1 A 81 81 VAL C C 115 174.934 173.275 1.659 1
1 665 . 5 1 1 A 81 81 VAL CA C 115 60.401 59.258 1.143 1
1 666 . 5 1 1 A 81 81 VAL CB C 115 32.142 35.403 -3.261 1
1 668 . 5 1 1 A 81 81 VAL N N 115 129.212 123.273 5.939 1
1 669 . 5 1 1 A 82 82 THR H H 116 8.661 8.710 -0.049 1
1 670 . 5 1 1 A 82 82 THR HA H 116 4.483 5.147 -0.664 1
1 673 . 5 1 1 A 82 82 THR C C 116 175.000 172.485 2.515 1
1 674 . 5 1 1 A 82 82 THR CA C 116 59.911 59.354 0.557 1
1 675 . 5 1 1 A 82 82 THR CB C 116 69.844 71.865 -2.021 1
1 677 . 5 1 1 A 82 82 THR N N 116 120.129 117.438 2.691 1
1 678 . 5 1 1 A 83 83 PHE H H 117 9.153 8.806 0.347 1
1 679 . 5 1 1 A 83 83 PHE HA H 117 5.003 5.156 -0.153 1
1 681 . 5 1 1 A 83 83 PHE C C 117 177.126 172.118 5.008 1
1 682 . 5 1 1 A 83 83 PHE CA C 117 55.003 56.258 -1.255 1
1 683 . 5 1 1 A 83 83 PHE CB C 117 37.018 40.760 -3.742 1
1 684 . 5 1 1 A 83 83 PHE N N 117 123.251 120.996 2.255 1
1 685 . 5 1 1 A 84 84 ILE H H 118 8.882 8.645 0.237 1
1 686 . 5 1 1 A 84 84 ILE HA H 118 4.320 4.942 -0.622 1
1 695 . 5 1 1 A 84 84 ILE C C 118 175.958 175.247 0.711 1
1 696 . 5 1 1 A 84 84 ILE CA C 118 60.275 59.905 0.370 1
1 697 . 5 1 1 A 84 84 ILE CB C 118 37.057 39.773 -2.716 1
1 700 . 5 1 1 A 84 84 ILE N N 118 122.450 121.064 1.386 1
1 701 . 5 1 1 A 85 85 GLY H H 119 8.198 8.710 -0.512 1
1 702 . 5 1 1 A 85 85 GLY HA2 H 119 4.050 4.232 -0.182 1
1 703 . 5 1 1 A 85 85 GLY HA3 H 119 3.900 4.300 -0.400 1
1 704 . 5 1 1 A 85 85 GLY C C 119 172.376 171.223 1.153 1
1 705 . 5 1 1 A 85 85 GLY CA C 119 44.033 44.587 -0.554 1
1 706 . 5 1 1 A 85 85 GLY N N 119 112.995 114.550 -1.555 1
1 707 . 5 1 1 A 86 86 ASP H H 120 8.132 8.651 -0.519 1
1 708 . 5 1 1 A 86 86 ASP HA H 120 4.938 5.285 -0.347 1
1 711 . 5 1 1 A 86 86 ASP C C 120 175.418 173.646 1.772 1
1 712 . 5 1 1 A 86 86 ASP CA C 120 52.656 51.185 1.471 1
1 713 . 5 1 1 A 86 86 ASP CB C 120 40.163 41.903 -1.740 1
1 714 . 5 1 1 A 86 86 ASP N N 120 119.130 120.339 -1.209 1
1 715 . 5 1 1 A 87 87 PRO HA H 121 4.470 4.809 -0.339 1
1 719 . 5 1 1 A 87 87 PRO CA C 121 175.750 62.264 113.486 1
1 720 . 5 1 1 A 87 87 PRO CB C 121 62.414 32.421 29.993 1
1 723 . 5 1 1 A 87 87 PRO N N 121 49.700 140.651 -90.951 1
1 724 . 5 1 1 A 88 88 VAL H H 122 8.707 8.938 -0.231 1
1 725 . 5 1 1 A 88 88 VAL HA H 122 4.400 4.675 -0.275 1
1 733 . 5 1 1 A 88 88 VAL C C 122 174.250 174.712 -0.462 1
1 734 . 5 1 1 A 88 88 VAL CA C 122 60.598 60.591 0.007 1
1 735 . 5 1 1 A 88 88 VAL CB C 122 34.847 35.450 -0.603 1
1 738 . 5 1 1 A 88 88 VAL N N 122 121.987 120.754 1.233 1
1 739 . 5 1 1 A 89 89 ASP H H 123 8.437 8.482 -0.045 1
1 740 . 5 1 1 A 89 89 ASP HA H 123 5.068 5.247 -0.179 1
1 743 . 5 1 1 A 89 89 ASP C C 123 177.435 176.002 1.433 1
1 744 . 5 1 1 A 89 89 ASP CA C 123 52.751 52.770 -0.019 1
1 745 . 5 1 1 A 89 89 ASP CB C 123 40.191 42.133 -1.942 1
1 746 . 5 1 1 A 89 89 ASP N N 123 125.856 126.789 -0.933 1
1 747 . 5 1 1 A 90 90 LEU H H 124 8.793 9.038 -0.245 1
1 748 . 5 1 1 A 90 90 LEU HA H 124 4.047 4.456 -0.409 1
1 749 . 5 1 1 A 90 90 LEU CA C 124 56.836 55.486 1.350 1
1 750 . 5 1 1 A 90 90 LEU CB C 124 41.301 43.175 -1.874 1
1 751 . 5 1 1 A 90 90 LEU N N 124 128.178 124.670 3.508 1
1 752 . 5 1 1 A 91 91 SER H H 125 8.927 8.335 0.592 1
1 753 . 5 1 1 A 91 91 SER HA H 125 4.287 4.328 -0.041 1
1 754 . 5 1 1 A 91 91 SER C C 125 173.984 173.406 0.578 1
1 755 . 5 1 1 A 91 91 SER CA C 125 58.498 59.359 -0.861 1
1 756 . 5 1 1 A 91 91 SER CB C 125 63.600 61.007 2.593 1
1 757 . 5 1 1 A 91 91 SER N N 125 115.226 114.259 0.967 1
1 758 . 5 1 1 A 92 92 GLY H H 126 8.250 7.406 0.844 1
1 759 . 5 1 1 A 92 92 GLY HA2 H 126 3.950 4.125 -0.175 1
1 760 . 5 1 1 A 92 92 GLY HA3 H 126 3.670 4.150 -0.480 1
1 761 . 5 1 1 A 92 92 GLY C C 126 174.700 172.755 1.945 1
1 762 . 5 1 1 A 92 92 GLY CA C 126 45.900 46.200 -0.300 1
1 763 . 5 1 1 A 92 92 GLY N N 126 109.395 109.022 0.373 1
1 764 . 5 1 1 A 94 94 GLN C C 128 174.459 174.181 0.278 1
1 765 . 5 1 1 A 94 94 GLN CA C 128 56.434 55.795 0.639 1
1 766 . 5 1 1 A 94 94 GLN CB C 128 25.491 32.002 -6.511 1
1 767 . 5 1 1 A 95 95 GLU H H 129 8.474 8.891 -0.417 1
1 768 . 5 1 1 A 95 95 GLU HA H 129 4.596 4.610 -0.014 1
1 772 . 5 1 1 A 95 95 GLU C C 129 177.559 175.123 2.436 1
1 773 . 5 1 1 A 95 95 GLU CA C 129 57.183 55.788 1.395 1
1 774 . 5 1 1 A 95 95 GLU CB C 129 31.432 30.199 1.233 1
1 775 . 5 1 1 A 95 95 GLU N N 129 115.145 124.521 -9.376 1
1 776 . 5 1 1 A 96 96 ILE H H 130 9.393 7.641 1.752 1
1 777 . 5 1 1 A 96 96 ILE HA H 130 4.660 4.458 0.202 1
1 782 . 5 1 1 A 96 96 ILE C C 130 173.821 175.038 -1.217 1
1 783 . 5 1 1 A 96 96 ILE CA C 130 59.481 60.173 -0.692 1
1 784 . 5 1 1 A 96 96 ILE CB C 130 41.386 39.077 2.309 1
1 785 . 5 1 1 A 96 96 ILE N N 130 124.603 122.277 2.326 1
1 786 . 5 1 1 A 97 97 THR H H 131 9.341 8.617 0.724 1
1 787 . 5 1 1 A 97 97 THR HA H 131 5.135 5.290 -0.155 1
1 790 . 5 1 1 A 97 97 THR C C 131 172.742 173.329 -0.587 1
1 791 . 5 1 1 A 97 97 THR CA C 131 62.458 60.901 1.557 1
1 792 . 5 1 1 A 97 97 THR CB C 131 69.995 70.107 -0.112 1
1 794 . 5 1 1 A 97 97 THR N N 131 125.280 120.229 5.051 1
1 795 . 5 1 1 A 98 98 ARG H H 132 9.286 8.881 0.405 1
1 796 . 5 1 1 A 98 98 ARG HA H 132 5.263 5.204 0.059 1
1 802 . 5 1 1 A 98 98 ARG C C 132 175.462 173.399 2.063 1
1 803 . 5 1 1 A 98 98 ARG CA C 132 53.122 54.326 -1.204 1
1 804 . 5 1 1 A 98 98 ARG CB C 132 32.555 34.029 -1.474 1
1 805 . 5 1 1 A 98 98 ARG N N 132 126.525 125.822 0.703 1
1 806 . 5 1 1 A 99 99 ILE H H 133 9.338 8.665 0.673 1
1 807 . 5 1 1 A 99 99 ILE HA H 133 3.959 5.063 -1.104 1
1 816 . 5 1 1 A 99 99 ILE C C 133 173.860 173.587 0.273 1
1 817 . 5 1 1 A 99 99 ILE CA C 133 59.719 59.452 0.267 1
1 818 . 5 1 1 A 99 99 ILE CB C 133 41.429 40.984 0.445 1
1 821 . 5 1 1 A 99 99 ILE N N 133 129.483 127.017 2.466 1
1 822 . 5 1 1 A 100 100 LYS H H 134 8.457 9.025 -0.568 1
1 823 . 5 1 1 A 100 100 LYS HA H 134 4.990 5.104 -0.114 1
1 824 . 5 1 1 A 100 100 LYS C C 134 175.750 175.365 0.385 1
1 825 . 5 1 1 A 100 100 LYS CA C 134 54.548 54.575 -0.027 1
1 826 . 5 1 1 A 100 100 LYS CB C 134 32.800 34.899 -2.099 1
1 827 . 5 1 1 A 100 100 LYS N N 134 128.506 129.783 -1.277 1
1 828 . 5 1 1 A 101 101 GLY H H 135 8.968 8.304 0.664 1
1 829 . 5 1 1 A 101 101 GLY HA2 H 135 5.350 4.429 0.921 1
1 830 . 5 1 1 A 101 101 GLY HA3 H 135 3.290 4.441 -1.151 1
1 831 . 5 1 1 A 101 101 GLY C C 135 171.558 172.343 -0.785 1
1 832 . 5 1 1 A 101 101 GLY CA C 135 44.286 44.968 -0.682 1
1 833 . 5 1 1 A 101 101 GLY N N 135 110.167 112.807 -2.640 1
1 834 . 5 1 1 A 102 102 LYS H H 136 9.158 8.924 0.234 1
1 835 . 5 1 1 A 102 102 LYS C C 136 174.516 174.103 0.413 1
1 836 . 5 1 1 A 102 102 LYS CA C 136 53.781 54.598 -0.817 1
1 837 . 5 1 1 A 102 102 LYS CB C 136 34.807 36.905 -2.098 1
1 838 . 5 1 1 A 102 102 LYS N N 136 119.838 117.449 2.389 1
1 839 . 5 1 1 A 103 103 GLU H H 137 8.711 9.385 -0.674 1
1 840 . 5 1 1 A 103 103 GLU HA H 137 4.709 5.356 -0.647 1
1 841 . 5 1 1 A 103 103 GLU C C 137 176.875 174.596 2.279 1
1 842 . 5 1 1 A 103 103 GLU CA C 137 56.833 54.799 2.034 1
1 843 . 5 1 1 A 103 103 GLU CB C 137 30.640 33.657 -3.017 1
1 844 . 5 1 1 A 103 103 GLU N N 137 124.293 120.722 3.571 1
1 845 . 5 1 1 A 104 104 ASP H H 138 9.334 8.995 0.339 1
1 846 . 5 1 1 A 104 104 ASP HA H 138 4.954 5.097 -0.143 1
1 849 . 5 1 1 A 104 104 ASP C C 138 175.340 175.684 -0.344 1
1 850 . 5 1 1 A 104 104 ASP CA C 138 53.107 52.982 0.125 1
1 851 . 5 1 1 A 104 104 ASP CB C 138 42.374 44.876 -2.502 1
1 852 . 5 1 1 A 104 104 ASP N N 138 127.542 124.254 3.288 1
1 853 . 5 1 1 A 105 105 GLY H H 139 7.732 9.007 -1.275 1
1 854 . 5 1 1 A 105 105 GLY HA2 H 139 4.360 4.024 0.336 1
1 855 . 5 1 1 A 105 105 GLY HA3 H 139 3.800 4.040 -0.240 1
1 856 . 5 1 1 A 105 105 GLY C C 139 172.374 174.419 -2.045 1
1 857 . 5 1 1 A 105 105 GLY CA C 139 43.800 46.144 -2.344 1
1 858 . 5 1 1 A 105 105 GLY N N 139 106.466 107.409 -0.943 1
1 859 . 5 1 1 A 106 106 ALA H H 140 8.191 7.922 0.269 1
1 860 . 5 1 1 A 106 106 ALA HA H 140 4.564 4.573 -0.009 1
1 864 . 5 1 1 A 106 106 ALA C C 140 177.004 176.902 0.102 1
1 865 . 5 1 1 A 106 106 ALA CA C 140 51.406 51.156 0.250 1
1 866 . 5 1 1 A 106 106 ALA CB C 140 19.500 19.442 0.058 1
1 867 . 5 1 1 A 106 106 ALA N N 140 120.674 121.589 -0.915 1
1 868 . 5 1 1 A 107 107 TYR H H 141 8.458 7.868 0.590 1
1 869 . 5 1 1 A 107 107 TYR HA H 141 4.578 4.854 -0.276 1
1 873 . 5 1 1 A 107 107 TYR C C 141 174.746 175.789 -1.043 1
1 874 . 5 1 1 A 107 107 TYR CA C 141 56.554 56.727 -0.173 1
1 875 . 5 1 1 A 107 107 TYR CB C 141 38.649 39.244 -0.595 1
1 878 . 5 1 1 A 107 107 TYR N N 141 121.312 119.684 1.628 1
1 879 . 5 1 1 A 108 108 VAL H H 142 7.941 7.659 0.282 1
1 880 . 5 1 1 A 108 108 VAL HA H 142 4.008 4.521 -0.513 1
1 888 . 5 1 1 A 108 108 VAL C C 142 174.701 175.245 -0.544 1
1 889 . 5 1 1 A 108 108 VAL CA C 142 60.912 61.161 -0.249 1
1 890 . 5 1 1 A 108 108 VAL CB C 142 32.065 31.916 0.149 1
1 893 . 5 1 1 A 108 108 VAL N N 142 125.257 120.539 4.718 1
1 9 . 6 1 1 A 2 2 TYR H H 36 7.537 7.852 -0.315 1
1 10 . 6 1 1 A 2 2 TYR HA H 36 3.945 4.720 -0.775 1
1 15 . 6 1 1 A 2 2 TYR C C 36 176.000 175.097 0.903 1
1 16 . 6 1 1 A 2 2 TYR CA C 36 57.871 56.472 1.399 1
1 17 . 6 1 1 A 2 2 TYR CB C 36 37.248 36.182 1.066 1
1 18 . 6 1 1 A 2 2 TYR N N 36 117.048 116.591 0.457 1
1 19 . 6 1 1 A 3 3 GLU H H 37 7.718 8.004 -0.286 1
1 20 . 6 1 1 A 3 3 GLU HA H 37 4.025 4.711 -0.686 1
1 24 . 6 1 1 A 3 3 GLU C C 37 176.100 176.537 -0.437 1
1 25 . 6 1 1 A 3 3 GLU CA C 37 56.788 54.810 1.978 1
1 26 . 6 1 1 A 3 3 GLU CB C 37 29.527 28.965 0.562 1
1 28 . 6 1 1 A 3 3 GLU N N 37 118.925 121.648 -2.723 1
1 29 . 6 1 1 A 4 4 GLU H H 38 7.866 8.955 -1.089 1
1 30 . 6 1 1 A 4 4 GLU HA H 38 4.215 4.594 -0.379 1
1 35 . 6 1 1 A 4 4 GLU C C 38 176.205 176.218 -0.013 1
1 36 . 6 1 1 A 4 4 GLU CA C 38 55.595 57.312 -1.717 1
1 37 . 6 1 1 A 4 4 GLU CB C 38 29.162 30.285 -1.123 1
1 38 . 6 1 1 A 4 4 GLU N N 38 116.623 124.233 -7.610 1
1 39 . 6 1 1 A 5 5 PHE H H 39 8.087 7.607 0.480 1
1 40 . 6 1 1 A 5 5 PHE HA H 39 4.780 4.815 -0.035 1
1 46 . 6 1 1 A 5 5 PHE C C 39 176.758 175.113 1.645 1
1 47 . 6 1 1 A 5 5 PHE CA C 39 54.914 58.399 -3.485 1
1 48 . 6 1 1 A 5 5 PHE CB C 39 36.531 40.714 -4.183 1
1 49 . 6 1 1 A 5 5 PHE N N 39 121.852 119.961 1.891 1
1 50 . 6 1 1 A 6 6 ARG HA H 40 4.515 3.948 0.567 1
1 51 . 6 1 1 A 6 6 ARG C C 40 176.376 174.510 1.866 1
1 52 . 6 1 1 A 6 6 ARG CA C 40 56.288 57.545 -1.257 1
1 53 . 6 1 1 A 6 6 ARG CB C 40 31.100 30.609 0.491 1
1 54 . 6 1 1 A 7 7 ASP H H 41 8.851 7.058 1.793 1
1 55 . 6 1 1 A 7 7 ASP HA H 41 5.182 4.975 0.207 1
1 57 . 6 1 1 A 7 7 ASP C C 41 175.379 174.490 0.889 1
1 58 . 6 1 1 A 7 7 ASP CA C 41 53.324 52.610 0.714 1
1 59 . 6 1 1 A 7 7 ASP CB C 41 44.292 44.323 -0.031 1
1 60 . 6 1 1 A 7 7 ASP N N 41 119.795 117.718 2.077 1
1 61 . 6 1 1 A 8 8 VAL H H 42 8.580 8.875 -0.295 1
1 62 . 6 1 1 A 8 8 VAL HA H 42 4.856 4.635 0.221 1
1 70 . 6 1 1 A 8 8 VAL C C 42 175.170 175.118 0.052 1
1 71 . 6 1 1 A 8 8 VAL CA C 42 61.398 61.920 -0.522 1
1 72 . 6 1 1 A 8 8 VAL CB C 42 33.643 32.611 1.032 1
1 75 . 6 1 1 A 8 8 VAL N N 42 120.042 124.828 -4.786 1
1 76 . 6 1 1 A 9 9 ILE H H 43 8.765 9.605 -0.840 1
1 77 . 6 1 1 A 9 9 ILE HA H 43 4.939 4.725 0.214 1
1 79 . 6 1 1 A 9 9 ILE C C 43 173.755 175.066 -1.311 1
1 80 . 6 1 1 A 9 9 ILE CA C 43 58.528 59.762 -1.234 1
1 81 . 6 1 1 A 9 9 ILE CB C 43 40.437 40.607 -0.170 1
1 82 . 6 1 1 A 9 9 ILE N N 43 117.778 129.288 -11.510 1
1 83 . 6 1 1 A 10 10 THR H H 44 7.834 8.162 -0.328 1
1 84 . 6 1 1 A 10 10 THR HA H 44 4.709 4.567 0.142 1
1 87 . 6 1 1 A 10 10 THR C C 44 173.691 173.605 0.086 1
1 88 . 6 1 1 A 10 10 THR CA C 44 61.662 61.374 0.288 1
1 89 . 6 1 1 A 10 10 THR CB C 44 70.906 69.391 1.515 1
1 91 . 6 1 1 A 10 10 THR N N 44 116.613 120.644 -4.031 1
1 92 . 6 1 1 A 11 11 PHE H H 45 8.821 8.463 0.358 1
1 93 . 6 1 1 A 11 11 PHE HA H 45 4.807 5.192 -0.385 1
1 94 . 6 1 1 A 11 11 PHE C C 45 175.619 175.328 0.291 1
1 95 . 6 1 1 A 11 11 PHE CA C 45 57.779 56.361 1.418 1
1 96 . 6 1 1 A 11 11 PHE CB C 45 39.649 40.771 -1.122 1
1 97 . 6 1 1 A 11 11 PHE N N 45 125.155 126.100 -0.945 1
1 98 . 6 1 1 A 12 12 GLN H H 46 9.103 8.504 0.599 1
1 99 . 6 1 1 A 12 12 GLN HA H 46 5.573 5.215 0.358 1
1 103 . 6 1 1 A 12 12 GLN C C 46 175.011 174.994 0.017 1
1 104 . 6 1 1 A 12 12 GLN CA C 46 54.423 54.092 0.331 1
1 105 . 6 1 1 A 12 12 GLN CB C 46 34.467 32.787 1.680 1
1 106 . 6 1 1 A 12 12 GLN N N 46 119.069 121.889 -2.820 1
1 107 . 6 1 1 A 13 13 SER H H 47 8.730 8.869 -0.139 1
1 108 . 6 1 1 A 13 13 SER HA H 47 5.229 5.549 -0.320 1
1 110 . 6 1 1 A 13 13 SER C C 47 171.559 172.556 -0.997 1
1 111 . 6 1 1 A 13 13 SER CA C 47 56.514 56.032 0.482 1
1 112 . 6 1 1 A 13 13 SER CB C 47 66.075 66.013 0.062 1
1 113 . 6 1 1 A 13 13 SER N N 47 114.734 115.462 -0.728 1
1 114 . 6 1 1 A 14 14 TYR H H 48 8.544 8.801 -0.257 1
1 115 . 6 1 1 A 14 14 TYR HA H 48 4.256 4.918 -0.662 1
1 120 . 6 1 1 A 14 14 TYR C C 48 175.437 173.534 1.903 1
1 121 . 6 1 1 A 14 14 TYR CA C 48 56.137 55.497 0.640 1
1 122 . 6 1 1 A 14 14 TYR CB C 48 36.242 41.246 -5.004 1
1 125 . 6 1 1 A 14 14 TYR N N 48 126.962 122.944 4.018 1
1 126 . 6 1 1 A 15 15 VAL H H 49 8.537 8.786 -0.249 1
1 127 . 6 1 1 A 15 15 VAL HA H 49 4.360 4.619 -0.259 1
1 132 . 6 1 1 A 15 15 VAL C C 49 174.600 174.794 -0.194 1
1 133 . 6 1 1 A 15 15 VAL CA C 49 62.600 60.891 1.709 1
1 134 . 6 1 1 A 15 15 VAL CB C 49 35.100 33.617 1.483 1
1 136 . 6 1 1 A 15 15 VAL N N 49 123.837 127.532 -3.695 1
1 137 . 6 1 1 A 16 16 GLU H H 50 8.296 8.871 -0.575 1
1 138 . 6 1 1 A 16 16 GLU HA H 50 3.702 4.744 -1.042 1
1 142 . 6 1 1 A 16 16 GLU C C 50 175.947 175.986 -0.039 1
1 143 . 6 1 1 A 16 16 GLU CA C 50 55.400 54.395 1.005 1
1 144 . 6 1 1 A 16 16 GLU CB C 50 30.100 32.544 -2.444 1
1 145 . 6 1 1 A 16 16 GLU N N 50 124.989 126.226 -1.237 1
1 146 . 6 1 1 A 17 17 GLN H H 51 8.529 8.143 0.386 1
1 147 . 6 1 1 A 17 17 GLN HA H 51 4.415 4.390 0.025 1
1 151 . 6 1 1 A 17 17 GLN C C 51 175.122 175.142 -0.020 1
1 152 . 6 1 1 A 17 17 GLN CA C 51 54.060 55.463 -1.403 1
1 153 . 6 1 1 A 17 17 GLN CB C 51 29.943 29.201 0.742 1
1 155 . 6 1 1 A 17 17 GLN N N 51 124.656 121.619 3.037 1
1 156 . 6 1 1 A 18 18 SER HA H 52 4.420 4.520 -0.100 1
1 157 . 6 1 1 A 18 18 SER C C 52 173.505 173.053 0.452 1
1 158 . 6 1 1 A 18 18 SER CA C 52 58.279 58.068 0.211 1
1 159 . 6 1 1 A 18 18 SER CB C 52 63.835 64.137 -0.302 1
1 160 . 6 1 1 A 19 19 ASN H H 53 8.109 8.812 -0.703 1
1 161 . 6 1 1 A 19 19 ASN HA H 53 4.399 5.197 -0.798 1
1 164 . 6 1 1 A 19 19 ASN C C 53 179.837 174.976 4.861 1
1 165 . 6 1 1 A 19 19 ASN CA C 53 54.664 51.849 2.815 1
1 166 . 6 1 1 A 19 19 ASN CB C 53 39.983 39.028 0.955 1
1 167 . 6 1 1 A 19 19 ASN N N 53 126.199 120.998 5.201 1
1 168 . 6 1 1 A 20 20 GLY H H 54 8.166 7.503 0.663 1
1 169 . 6 1 1 A 20 20 GLY HA2 H 54 3.911 4.093 -0.182 1
1 170 . 6 1 1 A 20 20 GLY C C 54 174.876 173.558 1.318 1
1 171 . 6 1 1 A 20 20 GLY CA C 54 45.206 44.170 1.036 1
1 172 . 6 1 1 A 20 20 GLY N N 54 113.067 111.623 1.444 1
1 173 . 6 1 1 A 22 22 GLY CA C 56 45.279 45.564 -0.285 1
1 174 . 6 1 1 A 23 23 GLY H H 57 8.235 7.669 0.566 1
1 175 . 6 1 1 A 23 23 GLY HA2 H 57 3.929 4.125 -0.196 1
1 176 . 6 1 1 A 23 23 GLY C C 57 173.796 172.439 1.357 1
1 177 . 6 1 1 A 23 23 GLY CA C 57 45.348 45.055 0.293 1
1 178 . 6 1 1 A 23 23 GLY N N 57 108.389 108.041 0.348 1
1 179 . 6 1 1 A 24 24 LYS HA H 58 4.804 4.641 0.163 1
1 180 . 6 1 1 A 24 24 LYS C C 58 175.908 174.580 1.328 1
1 181 . 6 1 1 A 24 24 LYS CA C 58 54.833 55.039 -0.206 1
1 182 . 6 1 1 A 24 24 LYS CB C 58 34.402 33.183 1.219 1
1 183 . 6 1 1 A 25 25 THR H H 59 8.413 7.424 0.989 1
1 184 . 6 1 1 A 25 25 THR HA H 59 4.482 4.726 -0.244 1
1 187 . 6 1 1 A 25 25 THR C C 59 171.934 172.233 -0.299 1
1 188 . 6 1 1 A 25 25 THR CA C 59 60.144 60.806 -0.662 1
1 189 . 6 1 1 A 25 25 THR CB C 59 71.035 72.256 -1.221 1
1 191 . 6 1 1 A 25 25 THR N N 59 115.947 116.802 -0.855 1
1 192 . 6 1 1 A 26 26 TYR H H 60 8.182 8.740 -0.558 1
1 193 . 6 1 1 A 26 26 TYR HA H 60 4.883 5.080 -0.197 1
1 198 . 6 1 1 A 26 26 TYR C C 60 173.593 174.544 -0.951 1
1 199 . 6 1 1 A 26 26 TYR CA C 60 54.043 56.082 -2.039 1
1 200 . 6 1 1 A 26 26 TYR CB C 60 40.100 43.102 -3.002 1
1 202 . 6 1 1 A 26 26 TYR N N 60 121.985 124.325 -2.340 1
1 203 . 6 1 1 A 27 27 LYS H H 61 8.385 8.496 -0.111 1
1 204 . 6 1 1 A 27 27 LYS HA H 61 4.563 5.197 -0.634 1
1 205 . 6 1 1 A 27 27 LYS C C 61 174.186 174.277 -0.091 1
1 206 . 6 1 1 A 27 27 LYS CA C 61 54.589 54.768 -0.179 1
1 207 . 6 1 1 A 27 27 LYS CB C 61 35.801 36.113 -0.312 1
1 208 . 6 1 1 A 27 27 LYS N N 61 120.203 118.383 1.820 1
1 209 . 6 1 1 A 28 28 TRP H H 62 8.524 8.905 -0.381 1
1 210 . 6 1 1 A 28 28 TRP HA H 62 5.361 5.561 -0.200 1
1 215 . 6 1 1 A 28 28 TRP C C 62 176.934 175.303 1.631 1
1 216 . 6 1 1 A 28 28 TRP CA C 62 56.499 55.825 0.674 1
1 217 . 6 1 1 A 28 28 TRP CB C 62 29.300 31.153 -1.853 1
1 218 . 6 1 1 A 28 28 TRP N N 62 122.913 122.382 0.531 1
1 220 . 6 1 1 A 29 29 VAL H H 63 9.470 8.758 0.712 1
1 221 . 6 1 1 A 29 29 VAL HA H 63 4.626 4.928 -0.302 1
1 229 . 6 1 1 A 29 29 VAL C C 63 175.264 173.042 2.222 1
1 230 . 6 1 1 A 29 29 VAL CA C 63 59.163 60.106 -0.943 1
1 231 . 6 1 1 A 29 29 VAL CB C 63 34.759 36.047 -1.288 1
1 234 . 6 1 1 A 29 29 VAL N N 63 120.454 122.115 -1.661 1
1 235 . 6 1 1 A 30 30 ASP H H 64 8.576 8.779 -0.203 1
1 236 . 6 1 1 A 30 30 ASP HA H 64 4.386 4.920 -0.534 1
1 237 . 6 1 1 A 30 30 ASP C C 64 174.186 176.042 -1.856 1
1 238 . 6 1 1 A 30 30 ASP CA C 64 55.907 54.368 1.539 1
1 239 . 6 1 1 A 30 30 ASP CB C 64 39.942 42.780 -2.838 1
1 240 . 6 1 1 A 30 30 ASP N N 64 123.588 125.733 -2.145 1
1 241 . 6 1 1 A 31 31 GLU H H 65 9.482 9.431 0.051 1
1 242 . 6 1 1 A 31 31 GLU HA H 65 4.674 4.481 0.193 1
1 246 . 6 1 1 A 31 31 GLU C C 65 176.000 176.360 -0.360 1
1 247 . 6 1 1 A 31 31 GLU CA C 65 57.263 58.104 -0.841 1
1 248 . 6 1 1 A 31 31 GLU CB C 65 30.200 31.504 -1.304 1
1 250 . 6 1 1 A 31 31 GLU N N 65 124.008 124.519 -0.511 1
1 251 . 6 1 1 A 32 32 PHE H H 66 7.257 7.430 -0.173 1
1 252 . 6 1 1 A 32 32 PHE HA H 66 4.940 5.171 -0.231 1
1 254 . 6 1 1 A 32 32 PHE C C 66 172.742 173.352 -0.610 1
1 255 . 6 1 1 A 32 32 PHE CA C 66 56.316 56.583 -0.267 1
1 256 . 6 1 1 A 32 32 PHE CB C 66 38.948 40.909 -1.961 1
1 257 . 6 1 1 A 32 32 PHE N N 66 110.866 112.822 -1.956 1
1 258 . 6 1 1 A 33 33 THR H H 67 8.603 8.864 -0.261 1
1 259 . 6 1 1 A 33 33 THR HA H 67 5.377 5.168 0.209 1
1 262 . 6 1 1 A 33 33 THR C C 67 173.388 173.539 -0.151 1
1 263 . 6 1 1 A 33 33 THR CA C 67 60.207 60.439 -0.232 1
1 264 . 6 1 1 A 33 33 THR CB C 67 71.620 71.228 0.392 1
1 266 . 6 1 1 A 33 33 THR N N 67 114.847 112.254 2.593 1
1 267 . 6 1 1 A 34 34 ALA H H 68 9.185 8.547 0.638 1
1 268 . 6 1 1 A 34 34 ALA HA H 68 4.873 4.920 -0.047 1
1 272 . 6 1 1 A 34 34 ALA C C 68 174.999 175.904 -0.905 1
1 273 . 6 1 1 A 34 34 ALA CA C 68 50.660 51.467 -0.807 1
1 274 . 6 1 1 A 34 34 ALA CB C 68 23.911 23.756 0.155 1
1 275 . 6 1 1 A 34 34 ALA N N 68 125.817 123.837 1.980 1
1 276 . 6 1 1 A 35 35 ALA H H 69 8.347 8.563 -0.216 1
1 277 . 6 1 1 A 35 35 ALA HA H 69 4.889 4.875 0.014 1
1 281 . 6 1 1 A 35 35 ALA C C 69 176.937 176.911 0.026 1
1 282 . 6 1 1 A 35 35 ALA CA C 69 51.329 51.537 -0.208 1
1 283 . 6 1 1 A 35 35 ALA CB C 69 19.210 20.128 -0.918 1
1 284 . 6 1 1 A 35 35 ALA N N 69 122.342 122.477 -0.135 1
1 285 . 6 1 1 A 36 36 ALA H H 70 8.468 8.790 -0.322 1
1 286 . 6 1 1 A 36 36 ALA HA H 70 4.996 4.857 0.139 1
1 290 . 6 1 1 A 36 36 ALA C C 70 175.102 175.041 0.061 1
1 291 . 6 1 1 A 36 36 ALA CA C 70 50.876 51.854 -0.978 1
1 292 . 6 1 1 A 36 36 ALA CB C 70 23.556 23.383 0.173 1
1 293 . 6 1 1 A 36 36 ALA N N 70 120.267 125.302 -5.035 1
1 294 . 6 1 1 A 37 37 HIS H H 71 9.136 8.305 0.831 1
1 295 . 6 1 1 A 37 37 HIS HA H 71 5.343 5.201 0.142 1
1 298 . 6 1 1 A 37 37 HIS C C 71 174.002 173.188 0.814 1
1 299 . 6 1 1 A 37 37 HIS CA C 71 54.803 53.702 1.101 1
1 300 . 6 1 1 A 37 37 HIS CB C 71 32.322 31.024 1.298 1
1 301 . 6 1 1 A 37 37 HIS N N 71 119.360 122.022 -2.662 1
1 302 . 6 1 1 A 38 38 VAL H H 72 8.557 9.221 -0.664 1
1 303 . 6 1 1 A 38 38 VAL HA H 72 4.174 4.471 -0.297 1
1 311 . 6 1 1 A 38 38 VAL C C 72 174.000 175.317 -1.317 1
1 312 . 6 1 1 A 38 38 VAL CA C 72 61.587 61.651 -0.064 1
1 313 . 6 1 1 A 38 38 VAL CB C 72 31.381 32.363 -0.982 1
1 316 . 6 1 1 A 38 38 VAL N N 72 127.947 128.913 -0.966 1
1 317 . 6 1 1 A 39 39 GLN H H 73 8.971 8.708 0.263 1
1 318 . 6 1 1 A 39 39 GLN HA H 73 5.019 4.736 0.283 1
1 321 . 6 1 1 A 39 39 GLN C C 73 173.260 173.307 -0.047 1
1 322 . 6 1 1 A 39 39 GLN CA C 73 51.310 52.003 -0.693 1
1 323 . 6 1 1 A 39 39 GLN CB C 73 30.955 30.885 0.070 1
1 324 . 6 1 1 A 39 39 GLN N N 73 127.985 125.920 2.065 1
1 325 . 6 1 1 A 40 40 PRO HA H 74 4.707 3.527 1.180 1
1 329 . 6 1 1 A 40 40 PRO C C 74 3.820 177.566 -173.746 1
1 330 . 6 1 1 A 40 40 PRO CA C 74 176.828 62.789 114.039 1
1 331 . 6 1 1 A 40 40 PRO CB C 74 62.215 31.833 30.382 1
1 333 . 6 1 1 A 40 40 PRO N N 74 50.800 138.209 -87.409 1
1 334 . 6 1 1 A 41 41 ILE H H 75 8.105 9.048 -0.943 1
1 335 . 6 1 1 A 41 41 ILE HA H 75 4.074 3.999 0.075 1
1 338 . 6 1 1 A 41 41 ILE C C 75 175.881 175.282 0.599 1
1 339 . 6 1 1 A 41 41 ILE CA C 75 61.399 62.977 -1.578 1
1 340 . 6 1 1 A 41 41 ILE CB C 75 38.214 38.065 0.149 1
1 342 . 6 1 1 A 41 41 ILE N N 75 122.818 121.550 1.268 1
1 343 . 6 1 1 A 43 43 GLN HA H 77 4.267 4.388 -0.121 1
1 344 . 6 1 1 A 43 43 GLN C C 77 176.255 175.414 0.841 1
1 345 . 6 1 1 A 43 43 GLN CA C 77 56.500 55.117 1.383 1
1 346 . 6 1 1 A 43 43 GLN CB C 77 29.100 27.387 1.713 1
1 347 . 6 1 1 A 44 44 GLU H H 78 8.458 8.827 -0.369 1
1 348 . 6 1 1 A 44 44 GLU HA H 78 4.184 4.452 -0.268 1
1 351 . 6 1 1 A 44 44 GLU C C 78 177.000 176.242 0.758 1
1 352 . 6 1 1 A 44 44 GLU CA C 78 57.400 58.033 -0.633 1
1 353 . 6 1 1 A 44 44 GLU CB C 78 29.148 31.245 -2.097 1
1 355 . 6 1 1 A 44 44 GLU N N 78 120.627 127.616 -6.989 1
1 356 . 6 1 1 A 45 45 GLU H H 79 8.283 7.983 0.300 1
1 357 . 6 1 1 A 45 45 GLU HA H 79 4.121 4.551 -0.430 1
1 360 . 6 1 1 A 45 45 GLU C C 79 176.972 176.017 0.955 1
1 361 . 6 1 1 A 45 45 GLU CA C 79 57.106 55.698 1.408 1
1 362 . 6 1 1 A 45 45 GLU CB C 79 29.680 29.715 -0.035 1
1 364 . 6 1 1 A 45 45 GLU N N 79 119.997 118.624 1.373 1
1 365 . 6 1 1 A 46 46 TYR H H 80 7.961 8.591 -0.630 1
1 366 . 6 1 1 A 46 46 TYR HA H 80 4.369 4.258 0.111 1
1 369 . 6 1 1 A 46 46 TYR C C 80 176.086 173.862 2.224 1
1 370 . 6 1 1 A 46 46 TYR CA C 80 58.284 60.221 -1.937 1
1 371 . 6 1 1 A 46 46 TYR CB C 80 38.214 39.711 -1.497 1
1 372 . 6 1 1 A 46 46 TYR N N 80 119.582 126.159 -6.577 1
1 373 . 6 1 1 A 47 47 TYR H H 81 7.918 7.626 0.292 1
1 374 . 6 1 1 A 47 47 TYR HA H 81 4.399 5.078 -0.679 1
1 378 . 6 1 1 A 47 47 TYR C C 81 176.566 174.982 1.584 1
1 379 . 6 1 1 A 47 47 TYR CA C 81 58.479 56.467 2.012 1
1 380 . 6 1 1 A 47 47 TYR CB C 81 38.042 42.635 -4.593 1
1 381 . 6 1 1 A 47 47 TYR N N 81 119.336 115.122 4.214 1
1 382 . 6 1 1 A 48 48 LYS HA H 82 4.090 4.439 -0.349 1
1 383 . 6 1 1 A 48 48 LYS C C 82 176.894 176.363 0.531 1
1 384 . 6 1 1 A 48 48 LYS CA C 82 56.786 55.272 1.514 1
1 385 . 6 1 1 A 48 48 LYS CB C 82 32.306 30.304 2.002 1
1 386 . 6 1 1 A 49 49 ALA H H 83 7.999 8.080 -0.081 1
1 387 . 6 1 1 A 49 49 ALA HA H 83 4.178 4.621 -0.443 1
1 391 . 6 1 1 A 49 49 ALA C C 83 178.193 177.640 0.553 1
1 392 . 6 1 1 A 49 49 ALA CA C 83 52.825 51.605 1.220 1
1 393 . 6 1 1 A 49 49 ALA CB C 83 18.200 19.318 -1.118 1
1 394 . 6 1 1 A 49 49 ALA N N 83 122.394 125.005 -2.611 1
1 395 . 6 1 1 A 50 50 GLN H H 84 8.006 7.595 0.411 1
1 396 . 6 1 1 A 50 50 GLN HA H 84 4.167 4.450 -0.283 1
1 400 . 6 1 1 A 50 50 GLN C C 84 176.200 175.601 0.599 1
1 401 . 6 1 1 A 50 50 GLN CA C 84 56.016 55.367 0.649 1
1 402 . 6 1 1 A 50 50 GLN CB C 84 28.467 26.920 1.547 1
1 404 . 6 1 1 A 50 50 GLN N N 84 116.623 118.966 -2.343 1
1 405 . 6 1 1 A 51 51 GLN H H 85 8.085 8.248 -0.163 1
1 406 . 6 1 1 A 51 51 GLN HA H 85 4.223 4.090 0.133 1
1 410 . 6 1 1 A 51 51 GLN CA C 85 56.393 56.949 -0.556 1
1 411 . 6 1 1 A 51 51 GLN CB C 85 28.600 25.835 2.765 1
1 413 . 6 1 1 A 51 51 GLN N N 85 118.681 113.905 4.776 1
1 414 . 6 1 1 A 53 53 GLN HA H 87 4.268 4.589 -0.321 1
1 415 . 6 1 1 A 53 53 GLN C C 87 175.517 173.933 1.584 1
1 416 . 6 1 1 A 53 53 GLN CA C 87 55.821 54.682 1.139 1
1 417 . 6 1 1 A 53 53 GLN CB C 87 28.296 29.560 -1.264 1
1 418 . 6 1 1 A 54 54 THR H H 88 7.950 8.531 -0.581 1
1 419 . 6 1 1 A 54 54 THR HA H 88 4.540 4.778 -0.238 1
1 422 . 6 1 1 A 54 54 THR C C 88 172.445 173.668 -1.223 1
1 423 . 6 1 1 A 54 54 THR CA C 88 59.184 59.606 -0.422 1
1 424 . 6 1 1 A 54 54 THR CB C 88 69.534 69.749 -0.215 1
1 426 . 6 1 1 A 54 54 THR N N 88 116.337 115.608 0.729 1
1 427 . 6 1 1 A 55 55 PRO HA H 89 4.410 4.651 -0.241 1
1 431 . 6 1 1 A 55 55 PRO C C 89 3.600 175.904 -172.304 1
1 432 . 6 1 1 A 55 55 PRO CA C 89 176.508 62.691 113.817 1
1 433 . 6 1 1 A 55 55 PRO CB C 89 62.325 31.764 30.561 1
1 436 . 6 1 1 A 55 55 PRO N N 89 50.400 143.066 -92.666 1
1 437 . 6 1 1 A 56 56 ILE H H 90 8.247 8.732 -0.485 1
1 438 . 6 1 1 A 56 56 ILE HA H 90 3.993 4.541 -0.548 1
1 443 . 6 1 1 A 56 56 ILE C C 90 175.132 174.728 0.404 1
1 444 . 6 1 1 A 56 56 ILE CA C 90 60.718 60.384 0.334 1
1 445 . 6 1 1 A 56 56 ILE CB C 90 38.277 39.153 -0.876 1
1 447 . 6 1 1 A 56 56 ILE N N 90 121.921 123.311 -1.390 1
1 448 . 6 1 1 A 57 57 GLY H H 91 7.820 8.094 -0.274 1
1 449 . 6 1 1 A 57 57 GLY HA2 H 91 4.550 4.278 0.272 1
1 450 . 6 1 1 A 57 57 GLY HA3 H 91 3.640 4.371 -0.731 1
1 451 . 6 1 1 A 57 57 GLY C C 91 172.184 171.428 0.756 1
1 452 . 6 1 1 A 57 57 GLY CA C 91 43.575 44.145 -0.570 1
1 453 . 6 1 1 A 57 57 GLY N N 91 110.987 112.201 -1.214 1
1 454 . 6 1 1 A 58 58 TYR H H 92 8.593 9.751 -1.158 1
1 455 . 6 1 1 A 58 58 TYR HA H 92 5.166 5.307 -0.141 1
1 460 . 6 1 1 A 58 58 TYR C C 92 175.122 175.427 -0.305 1
1 461 . 6 1 1 A 58 58 TYR CA C 92 56.544 56.645 -0.101 1
1 462 . 6 1 1 A 58 58 TYR CB C 92 43.819 42.788 1.031 1
1 465 . 6 1 1 A 58 58 TYR N N 92 116.307 122.087 -5.780 1
1 466 . 6 1 1 A 59 59 ASN H H 93 8.964 8.606 0.358 1
1 467 . 6 1 1 A 59 59 ASN HA H 93 5.116 5.477 -0.361 1
1 470 . 6 1 1 A 59 59 ASN C C 93 173.457 173.896 -0.439 1
1 471 . 6 1 1 A 59 59 ASN CA C 93 52.717 52.509 0.208 1
1 472 . 6 1 1 A 59 59 ASN CB C 93 40.420 42.129 -1.709 1
1 473 . 6 1 1 A 59 59 ASN N N 93 119.232 119.917 -0.685 1
1 474 . 6 1 1 A 60 60 ILE H H 94 9.013 9.100 -0.087 1
1 475 . 6 1 1 A 60 60 ILE HA H 94 4.383 4.841 -0.458 1
1 476 . 6 1 1 A 60 60 ILE C C 94 173.370 173.796 -0.426 1
1 477 . 6 1 1 A 60 60 ILE CA C 94 60.231 59.769 0.462 1
1 478 . 6 1 1 A 60 60 ILE CB C 94 38.728 41.648 -2.920 1
1 479 . 6 1 1 A 60 60 ILE N N 94 123.021 123.639 -0.618 1
1 480 . 6 1 1 A 61 61 TYR H H 95 8.867 8.229 0.638 1
1 481 . 6 1 1 A 61 61 TYR HA H 95 5.279 5.337 -0.058 1
1 486 . 6 1 1 A 61 61 TYR C C 95 174.262 173.992 0.270 1
1 487 . 6 1 1 A 61 61 TYR CA C 95 55.732 55.924 -0.192 1
1 488 . 6 1 1 A 61 61 TYR CB C 95 39.723 40.165 -0.442 1
1 491 . 6 1 1 A 61 61 TYR N N 95 125.343 125.468 -0.125 1
1 492 . 6 1 1 A 62 62 THR H H 96 8.998 8.407 0.591 1
1 493 . 6 1 1 A 62 62 THR HA H 96 4.889 4.597 0.292 1
1 496 . 6 1 1 A 62 62 THR C C 96 172.708 172.148 0.560 1
1 497 . 6 1 1 A 62 62 THR CA C 96 58.248 59.115 -0.867 1
1 498 . 6 1 1 A 62 62 THR CB C 96 73.097 71.677 1.420 1
1 500 . 6 1 1 A 62 62 THR N N 96 119.223 121.035 -1.812 1
1 501 . 6 1 1 A 63 63 PRO HA H 97 4.410 4.788 -0.378 1
1 503 . 6 1 1 A 63 63 PRO C C 97 3.190 177.300 -174.110 1
1 504 . 6 1 1 A 63 63 PRO CA C 97 175.250 63.024 112.226 1
1 505 . 6 1 1 A 63 63 PRO CB C 97 63.642 32.181 31.461 1
1 507 . 6 1 1 A 63 63 PRO N N 97 51.700 138.525 -86.825 1
1 508 . 6 1 1 A 64 64 TYR H H 98 7.826 9.204 -1.378 1
1 509 . 6 1 1 A 64 64 TYR HA H 98 4.265 4.142 0.123 1
1 514 . 6 1 1 A 64 64 TYR C C 98 175.150 173.973 1.177 1
1 515 . 6 1 1 A 64 64 TYR CA C 98 59.434 59.219 0.215 1
1 516 . 6 1 1 A 64 64 TYR CB C 98 37.240 36.947 0.293 1
1 518 . 6 1 1 A 64 64 TYR N N 98 122.118 122.515 -0.397 1
1 519 . 6 1 1 A 65 65 ASP H H 99 5.931 8.177 -2.246 1
1 520 . 6 1 1 A 65 65 ASP HA H 99 4.255 4.708 -0.453 1
1 523 . 6 1 1 A 65 65 ASP C C 99 176.079 175.139 0.940 1
1 524 . 6 1 1 A 65 65 ASP CA C 99 52.885 53.858 -0.973 1
1 525 . 6 1 1 A 65 65 ASP CB C 99 43.486 42.326 1.160 1
1 526 . 6 1 1 A 65 65 ASP N N 99 125.409 119.540 5.869 1
1 527 . 6 1 1 A 66 66 ASP H H 100 8.703 8.653 0.050 1
1 528 . 6 1 1 A 66 66 ASP HA H 100 4.058 4.866 -0.808 1
1 531 . 6 1 1 A 66 66 ASP C C 100 176.300 176.096 0.204 1
1 532 . 6 1 1 A 66 66 ASP CA C 100 55.332 53.678 1.654 1
1 533 . 6 1 1 A 66 66 ASP CB C 100 40.206 41.289 -1.083 1
1 534 . 6 1 1 A 66 66 ASP N N 100 128.295 124.289 4.006 1
1 535 . 6 1 1 A 67 67 ARG H H 101 8.832 7.572 1.260 1
1 536 . 6 1 1 A 67 67 ARG HA H 101 3.944 4.235 -0.291 1
1 538 . 6 1 1 A 67 67 ARG C C 101 177.624 178.339 -0.715 1
1 539 . 6 1 1 A 67 67 ARG CA C 101 56.509 57.418 -0.909 1
1 540 . 6 1 1 A 67 67 ARG CB C 101 31.162 30.746 0.416 1
1 541 . 6 1 1 A 67 67 ARG N N 101 117.507 118.710 -1.203 1
1 542 . 6 1 1 A 68 68 ILE H H 102 7.004 7.591 -0.587 1
1 543 . 6 1 1 A 68 68 ILE HA H 102 3.507 3.606 -0.099 1
1 548 . 6 1 1 A 68 68 ILE C C 102 174.835 175.825 -0.990 1
1 549 . 6 1 1 A 68 68 ILE CA C 102 63.638 64.846 -1.208 1
1 550 . 6 1 1 A 68 68 ILE CB C 102 36.617 37.821 -1.204 1
1 552 . 6 1 1 A 68 68 ILE N N 102 116.003 119.792 -3.789 1
1 553 . 6 1 1 A 69 69 ASP H H 103 8.026 7.561 0.465 1
1 554 . 6 1 1 A 69 69 ASP HA H 103 4.954 4.681 0.273 1
1 557 . 6 1 1 A 69 69 ASP C C 103 175.574 174.289 1.285 1
1 558 . 6 1 1 A 69 69 ASP CA C 103 52.485 52.560 -0.075 1
1 559 . 6 1 1 A 69 69 ASP CB C 103 45.984 42.010 3.974 1
1 560 . 6 1 1 A 69 69 ASP N N 103 129.672 116.128 13.544 1
1 561 . 6 1 1 A 70 70 LYS H H 104 8.505 8.684 -0.179 1
1 562 . 6 1 1 A 70 70 LYS C C 104 175.300 175.547 -0.247 1
1 563 . 6 1 1 A 70 70 LYS CA C 104 58.027 55.332 2.695 1
1 564 . 6 1 1 A 70 70 LYS CB C 104 31.376 32.918 -1.542 1
1 565 . 6 1 1 A 70 70 LYS N N 104 119.646 123.770 -4.124 1
1 566 . 6 1 1 A 71 71 LYS H H 105 8.653 8.001 0.652 1
1 567 . 6 1 1 A 71 71 LYS HA H 105 4.513 3.957 0.556 1
1 571 . 6 1 1 A 71 71 LYS C C 105 178.190 175.238 2.952 1
1 572 . 6 1 1 A 71 71 LYS CA C 105 56.415 57.156 -0.741 1
1 573 . 6 1 1 A 71 71 LYS CB C 105 30.942 30.927 0.015 1
1 575 . 6 1 1 A 71 71 LYS N N 105 118.554 119.603 -1.049 1
1 576 . 6 1 1 A 72 72 MET H H 106 7.596 7.691 -0.095 1
1 577 . 6 1 1 A 72 72 MET HA H 106 5.019 5.007 0.012 1
1 578 . 6 1 1 A 72 72 MET C C 106 172.309 174.691 -2.382 1
1 579 . 6 1 1 A 72 72 MET CA C 106 56.500 54.819 1.681 1
1 580 . 6 1 1 A 72 72 MET CB C 106 34.892 36.286 -1.394 1
1 581 . 6 1 1 A 72 72 MET N N 106 119.949 122.789 -2.840 1
1 582 . 6 1 1 A 73 73 ARG H H 107 8.266 8.899 -0.633 1
1 583 . 6 1 1 A 73 73 ARG HA H 107 4.075 5.241 -1.166 1
1 585 . 6 1 1 A 73 73 ARG C C 107 172.995 174.465 -1.470 1
1 586 . 6 1 1 A 73 73 ARG CA C 107 53.348 54.529 -1.181 1
1 587 . 6 1 1 A 73 73 ARG CB C 107 31.579 34.040 -2.461 1
1 588 . 6 1 1 A 73 73 ARG N N 107 112.423 120.686 -8.263 1
1 589 . 6 1 1 A 74 74 VAL H H 108 8.371 8.388 -0.017 1
1 590 . 6 1 1 A 74 74 VAL HA H 108 4.954 4.761 0.193 1
1 598 . 6 1 1 A 74 74 VAL C C 108 173.137 173.010 0.127 1
1 599 . 6 1 1 A 74 74 VAL CA C 108 58.400 59.572 -1.172 1
1 600 . 6 1 1 A 74 74 VAL CB C 108 35.700 35.759 -0.059 1
1 603 . 6 1 1 A 74 74 VAL N N 108 117.751 119.192 -1.441 1
1 604 . 6 1 1 A 75 75 ILE H H 109 8.644 8.462 0.182 1
1 605 . 6 1 1 A 75 75 ILE HA H 109 4.772 4.965 -0.193 1
1 610 . 6 1 1 A 75 75 ILE C C 109 176.377 173.791 2.586 1
1 611 . 6 1 1 A 75 75 ILE CA C 109 57.500 59.480 -1.980 1
1 612 . 6 1 1 A 75 75 ILE CB C 109 35.550 40.471 -4.921 1
1 614 . 6 1 1 A 75 75 ILE N N 109 122.741 126.847 -4.106 1
1 615 . 6 1 1 A 76 76 TYR H H 110 8.928 8.212 0.716 1
1 616 . 6 1 1 A 76 76 TYR HA H 110 4.873 5.126 -0.253 1
1 621 . 6 1 1 A 76 76 TYR C C 110 173.400 175.692 -2.292 1
1 622 . 6 1 1 A 76 76 TYR CA C 110 54.699 56.103 -1.404 1
1 623 . 6 1 1 A 76 76 TYR CB C 110 40.392 39.697 0.695 1
1 626 . 6 1 1 A 76 76 TYR N N 110 129.091 127.452 1.639 1
1 627 . 6 1 1 A 77 77 ARG H H 111 9.206 9.090 0.116 1
1 628 . 6 1 1 A 77 77 ARG HA H 111 3.537 3.923 -0.386 1
1 633 . 6 1 1 A 77 77 ARG C C 111 176.065 175.241 0.824 1
1 634 . 6 1 1 A 77 77 ARG CA C 111 56.490 57.006 -0.516 1
1 635 . 6 1 1 A 77 77 ARG CB C 111 27.448 29.167 -1.719 1
1 636 . 6 1 1 A 77 77 ARG N N 111 126.774 119.483 7.291 1
1 637 . 6 1 1 A 78 78 GLY H H 112 8.155 8.338 -0.183 1
1 638 . 6 1 1 A 78 78 GLY HA2 H 112 4.040 3.748 0.292 1
1 639 . 6 1 1 A 78 78 GLY HA3 H 112 3.540 3.763 -0.223 1
1 640 . 6 1 1 A 78 78 GLY C C 112 173.810 173.674 0.136 1
1 641 . 6 1 1 A 78 78 GLY CA C 112 45.284 45.245 0.039 1
1 642 . 6 1 1 A 78 78 GLY N N 112 102.172 104.960 -2.788 1
1 643 . 6 1 1 A 79 79 LYS HA H 113 3.910 4.268 -0.358 1
1 644 . 6 1 1 A 79 79 LYS C C 113 174.750 175.272 -0.522 1
1 645 . 6 1 1 A 79 79 LYS CA C 113 53.808 54.959 -1.151 1
1 646 . 6 1 1 A 79 79 LYS CB C 113 33.298 32.621 0.677 1
1 647 . 6 1 1 A 80 80 ILE H H 114 8.484 8.608 -0.124 1
1 648 . 6 1 1 A 80 80 ILE HA H 114 3.860 4.545 -0.685 1
1 653 . 6 1 1 A 80 80 ILE C C 114 174.732 175.119 -0.387 1
1 654 . 6 1 1 A 80 80 ILE CA C 114 61.130 59.993 1.137 1
1 655 . 6 1 1 A 80 80 ILE CB C 114 37.740 36.492 1.248 1
1 657 . 6 1 1 A 80 80 ILE N N 114 121.186 126.435 -5.249 1
1 658 . 6 1 1 A 81 81 VAL H H 115 9.395 8.407 0.988 1
1 659 . 6 1 1 A 81 81 VAL HA H 115 4.645 4.888 -0.243 1
1 664 . 6 1 1 A 81 81 VAL C C 115 174.934 172.798 2.136 1
1 665 . 6 1 1 A 81 81 VAL CA C 115 60.401 59.579 0.822 1
1 666 . 6 1 1 A 81 81 VAL CB C 115 32.142 35.650 -3.508 1
1 668 . 6 1 1 A 81 81 VAL N N 115 129.212 127.004 2.208 1
1 669 . 6 1 1 A 82 82 THR H H 116 8.661 8.986 -0.325 1
1 670 . 6 1 1 A 82 82 THR HA H 116 4.483 5.295 -0.812 1
1 673 . 6 1 1 A 82 82 THR C C 116 175.000 173.270 1.730 1
1 674 . 6 1 1 A 82 82 THR CA C 116 59.911 60.245 -0.334 1
1 675 . 6 1 1 A 82 82 THR CB C 116 69.844 71.252 -1.408 1
1 677 . 6 1 1 A 82 82 THR N N 116 120.129 121.217 -1.088 1
1 678 . 6 1 1 A 83 83 PHE H H 117 9.153 8.919 0.234 1
1 679 . 6 1 1 A 83 83 PHE HA H 117 5.003 5.389 -0.386 1
1 681 . 6 1 1 A 83 83 PHE C C 117 177.126 173.061 4.065 1
1 682 . 6 1 1 A 83 83 PHE CA C 117 55.003 55.955 -0.952 1
1 683 . 6 1 1 A 83 83 PHE CB C 117 37.018 41.524 -4.506 1
1 684 . 6 1 1 A 83 83 PHE N N 117 123.251 121.254 1.997 1
1 685 . 6 1 1 A 84 84 ILE H H 118 8.882 8.726 0.156 1
1 686 . 6 1 1 A 84 84 ILE HA H 118 4.320 4.908 -0.588 1
1 695 . 6 1 1 A 84 84 ILE C C 118 175.958 174.954 1.004 1
1 696 . 6 1 1 A 84 84 ILE CA C 118 60.275 58.664 1.611 1
1 697 . 6 1 1 A 84 84 ILE CB C 118 37.057 41.939 -4.882 1
1 700 . 6 1 1 A 84 84 ILE N N 118 122.450 116.845 5.605 1
1 701 . 6 1 1 A 85 85 GLY H H 119 8.198 8.245 -0.047 1
1 702 . 6 1 1 A 85 85 GLY HA2 H 119 4.050 4.098 -0.048 1
1 703 . 6 1 1 A 85 85 GLY HA3 H 119 3.900 4.158 -0.258 1
1 704 . 6 1 1 A 85 85 GLY C C 119 172.376 171.393 0.983 1
1 705 . 6 1 1 A 85 85 GLY CA C 119 44.033 45.887 -1.854 1
1 706 . 6 1 1 A 85 85 GLY N N 119 112.995 109.392 3.603 1
1 707 . 6 1 1 A 86 86 ASP H H 120 8.132 8.758 -0.626 1
1 708 . 6 1 1 A 86 86 ASP HA H 120 4.938 5.322 -0.384 1
1 711 . 6 1 1 A 86 86 ASP C C 120 175.418 174.241 1.177 1
1 712 . 6 1 1 A 86 86 ASP CA C 120 52.656 51.288 1.368 1
1 713 . 6 1 1 A 86 86 ASP CB C 120 40.163 44.166 -4.003 1
1 714 . 6 1 1 A 86 86 ASP N N 120 119.130 118.363 0.767 1
1 715 . 6 1 1 A 87 87 PRO HA H 121 4.470 4.937 -0.467 1
1 719 . 6 1 1 A 87 87 PRO CA C 121 175.750 62.177 113.573 1
1 720 . 6 1 1 A 87 87 PRO CB C 121 62.414 32.603 29.811 1
1 723 . 6 1 1 A 87 87 PRO N N 121 49.700 135.120 -85.420 1
1 724 . 6 1 1 A 88 88 VAL H H 122 8.707 8.426 0.281 1
1 725 . 6 1 1 A 88 88 VAL HA H 122 4.400 4.733 -0.333 1
1 733 . 6 1 1 A 88 88 VAL C C 122 174.250 174.196 0.054 1
1 734 . 6 1 1 A 88 88 VAL CA C 122 60.598 60.593 0.005 1
1 735 . 6 1 1 A 88 88 VAL CB C 122 34.847 35.823 -0.976 1
1 738 . 6 1 1 A 88 88 VAL N N 122 121.987 121.867 0.120 1
1 739 . 6 1 1 A 89 89 ASP H H 123 8.437 8.725 -0.288 1
1 740 . 6 1 1 A 89 89 ASP HA H 123 5.068 5.064 0.004 1
1 743 . 6 1 1 A 89 89 ASP C C 123 177.435 175.757 1.678 1
1 744 . 6 1 1 A 89 89 ASP CA C 123 52.751 52.910 -0.159 1
1 745 . 6 1 1 A 89 89 ASP CB C 123 40.191 41.007 -0.816 1
1 746 . 6 1 1 A 89 89 ASP N N 123 125.856 125.920 -0.064 1
1 747 . 6 1 1 A 90 90 LEU H H 124 8.793 8.983 -0.190 1
1 748 . 6 1 1 A 90 90 LEU HA H 124 4.047 4.421 -0.374 1
1 749 . 6 1 1 A 90 90 LEU CA C 124 56.836 56.922 -0.086 1
1 750 . 6 1 1 A 90 90 LEU CB C 124 41.301 42.967 -1.666 1
1 751 . 6 1 1 A 90 90 LEU N N 124 128.178 126.357 1.821 1
1 752 . 6 1 1 A 91 91 SER H H 125 8.927 7.655 1.272 1
1 753 . 6 1 1 A 91 91 SER HA H 125 4.287 4.940 -0.653 1
1 754 . 6 1 1 A 91 91 SER C C 125 173.984 174.173 -0.189 1
1 755 . 6 1 1 A 91 91 SER CA C 125 58.498 57.844 0.654 1
1 756 . 6 1 1 A 91 91 SER CB C 125 63.600 64.616 -1.016 1
1 757 . 6 1 1 A 91 91 SER N N 125 115.226 113.820 1.406 1
1 758 . 6 1 1 A 92 92 GLY H H 126 8.250 8.698 -0.448 1
1 759 . 6 1 1 A 92 92 GLY HA2 H 126 3.950 4.077 -0.127 1
1 760 . 6 1 1 A 92 92 GLY HA3 H 126 3.670 4.092 -0.422 1
1 761 . 6 1 1 A 92 92 GLY C C 126 174.700 174.740 -0.040 1
1 762 . 6 1 1 A 92 92 GLY CA C 126 45.900 45.281 0.619 1
1 763 . 6 1 1 A 92 92 GLY N N 126 109.395 115.135 -5.740 1
1 764 . 6 1 1 A 94 94 GLN C C 128 174.459 173.781 0.678 1
1 765 . 6 1 1 A 94 94 GLN CA C 128 56.434 55.309 1.125 1
1 766 . 6 1 1 A 94 94 GLN CB C 128 25.491 32.459 -6.968 1
1 767 . 6 1 1 A 95 95 GLU H H 129 8.474 8.472 0.002 1
1 768 . 6 1 1 A 95 95 GLU HA H 129 4.596 4.364 0.232 1
1 772 . 6 1 1 A 95 95 GLU C C 129 177.559 174.988 2.571 1
1 773 . 6 1 1 A 95 95 GLU CA C 129 57.183 56.261 0.922 1
1 774 . 6 1 1 A 95 95 GLU CB C 129 31.432 28.248 3.184 1
1 775 . 6 1 1 A 95 95 GLU N N 129 115.145 123.074 -7.929 1
1 776 . 6 1 1 A 96 96 ILE H H 130 9.393 8.052 1.341 1
1 777 . 6 1 1 A 96 96 ILE HA H 130 4.660 4.843 -0.183 1
1 782 . 6 1 1 A 96 96 ILE C C 130 173.821 174.894 -1.073 1
1 783 . 6 1 1 A 96 96 ILE CA C 130 59.481 60.364 -0.883 1
1 784 . 6 1 1 A 96 96 ILE CB C 130 41.386 39.400 1.986 1
1 785 . 6 1 1 A 96 96 ILE N N 130 124.603 124.209 0.394 1
1 786 . 6 1 1 A 97 97 THR H H 131 9.341 9.127 0.214 1
1 787 . 6 1 1 A 97 97 THR HA H 131 5.135 4.997 0.138 1
1 790 . 6 1 1 A 97 97 THR C C 131 172.742 172.677 0.065 1
1 791 . 6 1 1 A 97 97 THR CA C 131 62.458 61.222 1.236 1
1 792 . 6 1 1 A 97 97 THR CB C 131 69.995 71.191 -1.196 1
1 794 . 6 1 1 A 97 97 THR N N 131 125.280 124.028 1.252 1
1 795 . 6 1 1 A 98 98 ARG H H 132 9.286 8.612 0.674 1
1 796 . 6 1 1 A 98 98 ARG HA H 132 5.263 4.926 0.337 1
1 802 . 6 1 1 A 98 98 ARG C C 132 175.462 175.037 0.425 1
1 803 . 6 1 1 A 98 98 ARG CA C 132 53.122 55.102 -1.980 1
1 804 . 6 1 1 A 98 98 ARG CB C 132 32.555 32.141 0.414 1
1 805 . 6 1 1 A 98 98 ARG N N 132 126.525 126.830 -0.305 1
1 806 . 6 1 1 A 99 99 ILE H H 133 9.338 8.753 0.585 1
1 807 . 6 1 1 A 99 99 ILE HA H 133 3.959 4.757 -0.798 1
1 816 . 6 1 1 A 99 99 ILE C C 133 173.860 174.409 -0.549 1
1 817 . 6 1 1 A 99 99 ILE CA C 133 59.719 60.122 -0.403 1
1 818 . 6 1 1 A 99 99 ILE CB C 133 41.429 40.130 1.299 1
1 821 . 6 1 1 A 99 99 ILE N N 133 129.483 127.720 1.763 1
1 822 . 6 1 1 A 100 100 LYS H H 134 8.457 8.719 -0.262 1
1 823 . 6 1 1 A 100 100 LYS HA H 134 4.990 5.292 -0.302 1
1 824 . 6 1 1 A 100 100 LYS C C 134 175.750 175.432 0.318 1
1 825 . 6 1 1 A 100 100 LYS CA C 134 54.548 54.612 -0.064 1
1 826 . 6 1 1 A 100 100 LYS CB C 134 32.800 35.361 -2.561 1
1 827 . 6 1 1 A 100 100 LYS N N 134 128.506 129.132 -0.626 1
1 828 . 6 1 1 A 101 101 GLY H H 135 8.968 8.917 0.051 1
1 829 . 6 1 1 A 101 101 GLY HA2 H 135 5.350 4.336 1.014 1
1 830 . 6 1 1 A 101 101 GLY HA3 H 135 3.290 4.362 -1.072 1
1 831 . 6 1 1 A 101 101 GLY C C 135 171.558 172.319 -0.761 1
1 832 . 6 1 1 A 101 101 GLY CA C 135 44.286 44.751 -0.465 1
1 833 . 6 1 1 A 101 101 GLY N N 135 110.167 112.941 -2.774 1
1 834 . 6 1 1 A 102 102 LYS H H 136 9.158 8.705 0.453 1
1 835 . 6 1 1 A 102 102 LYS C C 136 174.516 173.819 0.697 1
1 836 . 6 1 1 A 102 102 LYS CA C 136 53.781 55.412 -1.631 1
1 837 . 6 1 1 A 102 102 LYS CB C 136 34.807 37.073 -2.266 1
1 838 . 6 1 1 A 102 102 LYS N N 136 119.838 122.792 -2.954 1
1 839 . 6 1 1 A 103 103 GLU H H 137 8.711 9.014 -0.303 1
1 840 . 6 1 1 A 103 103 GLU HA H 137 4.709 5.030 -0.321 1
1 841 . 6 1 1 A 103 103 GLU C C 137 176.875 174.692 2.183 1
1 842 . 6 1 1 A 103 103 GLU CA C 137 56.833 54.873 1.960 1
1 843 . 6 1 1 A 103 103 GLU CB C 137 30.640 32.012 -1.372 1
1 844 . 6 1 1 A 103 103 GLU N N 137 124.293 125.379 -1.086 1
1 845 . 6 1 1 A 104 104 ASP H H 138 9.334 8.666 0.668 1
1 846 . 6 1 1 A 104 104 ASP HA H 138 4.954 4.944 0.010 1
1 849 . 6 1 1 A 104 104 ASP C C 138 175.340 174.820 0.520 1
1 850 . 6 1 1 A 104 104 ASP CA C 138 53.107 53.200 -0.093 1
1 851 . 6 1 1 A 104 104 ASP CB C 138 42.374 41.456 0.918 1
1 852 . 6 1 1 A 104 104 ASP N N 138 127.542 128.026 -0.484 1
1 853 . 6 1 1 A 105 105 GLY H H 139 7.732 7.519 0.213 1
1 854 . 6 1 1 A 105 105 GLY HA2 H 139 4.360 4.087 0.273 1
1 855 . 6 1 1 A 105 105 GLY HA3 H 139 3.800 4.088 -0.288 1
1 856 . 6 1 1 A 105 105 GLY C C 139 172.374 171.007 1.367 1
1 857 . 6 1 1 A 105 105 GLY CA C 139 43.800 45.955 -2.155 1
1 858 . 6 1 1 A 105 105 GLY N N 139 106.466 108.524 -2.058 1
1 859 . 6 1 1 A 106 106 ALA H H 140 8.191 8.389 -0.198 1
1 860 . 6 1 1 A 106 106 ALA HA H 140 4.564 4.984 -0.420 1
1 864 . 6 1 1 A 106 106 ALA C C 140 177.004 175.936 1.068 1
1 865 . 6 1 1 A 106 106 ALA CA C 140 51.406 51.496 -0.090 1
1 866 . 6 1 1 A 106 106 ALA CB C 140 19.500 22.942 -3.442 1
1 867 . 6 1 1 A 106 106 ALA N N 140 120.674 121.958 -1.284 1
1 868 . 6 1 1 A 107 107 TYR H H 141 8.458 8.850 -0.392 1
1 869 . 6 1 1 A 107 107 TYR HA H 141 4.578 4.686 -0.108 1
1 873 . 6 1 1 A 107 107 TYR C C 141 174.746 174.821 -0.075 1
1 874 . 6 1 1 A 107 107 TYR CA C 141 56.554 59.220 -2.666 1
1 875 . 6 1 1 A 107 107 TYR CB C 141 38.649 40.544 -1.895 1
1 878 . 6 1 1 A 107 107 TYR N N 141 121.312 118.789 2.523 1
1 879 . 6 1 1 A 108 108 VAL H H 142 7.941 7.954 -0.013 1
1 880 . 6 1 1 A 108 108 VAL HA H 142 4.008 4.544 -0.536 1
1 888 . 6 1 1 A 108 108 VAL C C 142 174.701 174.674 0.027 1
1 889 . 6 1 1 A 108 108 VAL CA C 142 60.912 59.646 1.266 1
1 890 . 6 1 1 A 108 108 VAL CB C 142 32.065 34.863 -2.798 1
1 893 . 6 1 1 A 108 108 VAL N N 142 125.257 117.594 7.663 1
1 9 . 7 1 1 A 2 2 TYR H H 36 7.537 7.784 -0.247 1
1 10 . 7 1 1 A 2 2 TYR HA H 36 3.945 4.799 -0.854 1
1 15 . 7 1 1 A 2 2 TYR C C 36 176.000 173.536 2.464 1
1 16 . 7 1 1 A 2 2 TYR CA C 36 57.871 56.547 1.324 1
1 17 . 7 1 1 A 2 2 TYR CB C 36 37.248 38.684 -1.436 1
1 18 . 7 1 1 A 2 2 TYR N N 36 117.048 121.237 -4.189 1
1 19 . 7 1 1 A 3 3 GLU H H 37 7.718 8.596 -0.878 1
1 20 . 7 1 1 A 3 3 GLU HA H 37 4.025 5.123 -1.098 1
1 24 . 7 1 1 A 3 3 GLU C C 37 176.100 174.832 1.268 1
1 25 . 7 1 1 A 3 3 GLU CA C 37 56.788 54.893 1.895 1
1 26 . 7 1 1 A 3 3 GLU CB C 37 29.527 32.793 -3.266 1
1 28 . 7 1 1 A 3 3 GLU N N 37 118.925 125.525 -6.600 1
1 29 . 7 1 1 A 4 4 GLU H H 38 7.866 8.688 -0.822 1
1 30 . 7 1 1 A 4 4 GLU HA H 38 4.215 4.810 -0.595 1
1 35 . 7 1 1 A 4 4 GLU C C 38 176.205 174.038 2.167 1
1 36 . 7 1 1 A 4 4 GLU CA C 38 55.595 55.532 0.063 1
1 37 . 7 1 1 A 4 4 GLU CB C 38 29.162 33.683 -4.521 1
1 38 . 7 1 1 A 4 4 GLU N N 38 116.623 126.652 -10.029 1
1 39 . 7 1 1 A 5 5 PHE H H 39 8.087 9.042 -0.955 1
1 40 . 7 1 1 A 5 5 PHE HA H 39 4.780 5.114 -0.334 1
1 46 . 7 1 1 A 5 5 PHE C C 39 176.758 173.880 2.878 1
1 47 . 7 1 1 A 5 5 PHE CA C 39 54.914 57.068 -2.154 1
1 48 . 7 1 1 A 5 5 PHE CB C 39 36.531 42.011 -5.480 1
1 49 . 7 1 1 A 5 5 PHE N N 39 121.852 127.148 -5.296 1
1 50 . 7 1 1 A 6 6 ARG HA H 40 4.515 4.853 -0.338 1
1 51 . 7 1 1 A 6 6 ARG C C 40 176.376 174.376 2.000 1
1 52 . 7 1 1 A 6 6 ARG CA C 40 56.288 55.224 1.064 1
1 53 . 7 1 1 A 6 6 ARG CB C 40 31.100 30.864 0.236 1
1 54 . 7 1 1 A 7 7 ASP H H 41 8.851 7.558 1.293 1
1 55 . 7 1 1 A 7 7 ASP HA H 41 5.182 4.897 0.285 1
1 57 . 7 1 1 A 7 7 ASP C C 41 175.379 175.197 0.182 1
1 58 . 7 1 1 A 7 7 ASP CA C 41 53.324 52.813 0.511 1
1 59 . 7 1 1 A 7 7 ASP CB C 41 44.292 42.018 2.274 1
1 60 . 7 1 1 A 7 7 ASP N N 41 119.795 121.752 -1.957 1
1 61 . 7 1 1 A 8 8 VAL H H 42 8.580 8.535 0.045 1
1 62 . 7 1 1 A 8 8 VAL HA H 42 4.856 4.711 0.145 1
1 70 . 7 1 1 A 8 8 VAL C C 42 175.170 174.361 0.809 1
1 71 . 7 1 1 A 8 8 VAL CA C 42 61.398 60.825 0.573 1
1 72 . 7 1 1 A 8 8 VAL CB C 42 33.643 33.034 0.609 1
1 75 . 7 1 1 A 8 8 VAL N N 42 120.042 121.483 -1.441 1
1 76 . 7 1 1 A 9 9 ILE H H 43 8.765 9.648 -0.883 1
1 77 . 7 1 1 A 9 9 ILE HA H 43 4.939 4.862 0.077 1
1 79 . 7 1 1 A 9 9 ILE C C 43 173.755 175.231 -1.476 1
1 80 . 7 1 1 A 9 9 ILE CA C 43 58.528 59.831 -1.303 1
1 81 . 7 1 1 A 9 9 ILE CB C 43 40.437 40.709 -0.272 1
1 82 . 7 1 1 A 9 9 ILE N N 43 117.778 131.121 -13.343 1
1 83 . 7 1 1 A 10 10 THR H H 44 7.834 8.313 -0.479 1
1 84 . 7 1 1 A 10 10 THR HA H 44 4.709 4.799 -0.090 1
1 87 . 7 1 1 A 10 10 THR C C 44 173.691 173.717 -0.026 1
1 88 . 7 1 1 A 10 10 THR CA C 44 61.662 61.403 0.259 1
1 89 . 7 1 1 A 10 10 THR CB C 44 70.906 70.168 0.738 1
1 91 . 7 1 1 A 10 10 THR N N 44 116.613 120.318 -3.705 1
1 92 . 7 1 1 A 11 11 PHE H H 45 8.821 8.925 -0.104 1
1 93 . 7 1 1 A 11 11 PHE HA H 45 4.807 5.047 -0.240 1
1 94 . 7 1 1 A 11 11 PHE C C 45 175.619 174.232 1.387 1
1 95 . 7 1 1 A 11 11 PHE CA C 45 57.779 56.451 1.328 1
1 96 . 7 1 1 A 11 11 PHE CB C 45 39.649 40.533 -0.884 1
1 97 . 7 1 1 A 11 11 PHE N N 45 125.155 126.124 -0.969 1
1 98 . 7 1 1 A 12 12 GLN H H 46 9.103 9.201 -0.098 1
1 99 . 7 1 1 A 12 12 GLN HA H 46 5.573 5.283 0.290 1
1 103 . 7 1 1 A 12 12 GLN C C 46 175.011 174.417 0.594 1
1 104 . 7 1 1 A 12 12 GLN CA C 46 54.423 54.252 0.171 1
1 105 . 7 1 1 A 12 12 GLN CB C 46 34.467 32.809 1.658 1
1 106 . 7 1 1 A 12 12 GLN N N 46 119.069 123.027 -3.958 1
1 107 . 7 1 1 A 13 13 SER H H 47 8.730 9.020 -0.290 1
1 108 . 7 1 1 A 13 13 SER HA H 47 5.229 5.657 -0.428 1
1 110 . 7 1 1 A 13 13 SER C C 47 171.559 172.248 -0.689 1
1 111 . 7 1 1 A 13 13 SER CA C 47 56.514 55.850 0.664 1
1 112 . 7 1 1 A 13 13 SER CB C 47 66.075 66.544 -0.469 1
1 113 . 7 1 1 A 13 13 SER N N 47 114.734 117.155 -2.421 1
1 114 . 7 1 1 A 14 14 TYR H H 48 8.544 8.708 -0.164 1
1 115 . 7 1 1 A 14 14 TYR HA H 48 4.256 4.804 -0.548 1
1 120 . 7 1 1 A 14 14 TYR C C 48 175.437 173.633 1.804 1
1 121 . 7 1 1 A 14 14 TYR CA C 48 56.137 55.749 0.388 1
1 122 . 7 1 1 A 14 14 TYR CB C 48 36.242 40.923 -4.681 1
1 125 . 7 1 1 A 14 14 TYR N N 48 126.962 123.658 3.304 1
1 126 . 7 1 1 A 15 15 VAL H H 49 8.537 8.309 0.228 1
1 127 . 7 1 1 A 15 15 VAL HA H 49 4.360 4.718 -0.358 1
1 132 . 7 1 1 A 15 15 VAL C C 49 174.600 174.560 0.040 1
1 133 . 7 1 1 A 15 15 VAL CA C 49 62.600 59.740 2.860 1
1 134 . 7 1 1 A 15 15 VAL CB C 49 35.100 35.689 -0.589 1
1 136 . 7 1 1 A 15 15 VAL N N 49 123.837 127.173 -3.336 1
1 137 . 7 1 1 A 16 16 GLU H H 50 8.296 8.349 -0.053 1
1 138 . 7 1 1 A 16 16 GLU HA H 50 3.702 4.305 -0.603 1
1 142 . 7 1 1 A 16 16 GLU C C 50 175.947 177.601 -1.654 1
1 143 . 7 1 1 A 16 16 GLU CA C 50 55.400 56.375 -0.975 1
1 144 . 7 1 1 A 16 16 GLU CB C 50 30.100 30.308 -0.208 1
1 145 . 7 1 1 A 16 16 GLU N N 50 124.989 125.791 -0.802 1
1 146 . 7 1 1 A 17 17 GLN H H 51 8.529 8.090 0.439 1
1 147 . 7 1 1 A 17 17 GLN HA H 51 4.415 3.818 0.597 1
1 151 . 7 1 1 A 17 17 GLN C C 51 175.122 175.552 -0.430 1
1 152 . 7 1 1 A 17 17 GLN CA C 51 54.060 58.572 -4.512 1
1 153 . 7 1 1 A 17 17 GLN CB C 51 29.943 26.862 3.081 1
1 155 . 7 1 1 A 17 17 GLN N N 51 124.656 116.987 7.669 1
1 156 . 7 1 1 A 18 18 SER HA H 52 4.420 4.615 -0.195 1
1 157 . 7 1 1 A 18 18 SER C C 52 173.505 174.414 -0.909 1
1 158 . 7 1 1 A 18 18 SER CA C 52 58.279 59.472 -1.193 1
1 159 . 7 1 1 A 18 18 SER CB C 52 63.835 61.132 2.703 1
1 160 . 7 1 1 A 19 19 ASN H H 53 8.109 8.564 -0.455 1
1 161 . 7 1 1 A 19 19 ASN HA H 53 4.399 4.375 0.024 1
1 164 . 7 1 1 A 19 19 ASN C C 53 179.837 175.412 4.425 1
1 165 . 7 1 1 A 19 19 ASN CA C 53 54.664 54.335 0.329 1
1 166 . 7 1 1 A 19 19 ASN CB C 53 39.983 36.709 3.274 1
1 167 . 7 1 1 A 19 19 ASN N N 53 126.199 115.631 10.568 1
1 168 . 7 1 1 A 20 20 GLY H H 54 8.166 8.469 -0.303 1
1 169 . 7 1 1 A 20 20 GLY HA2 H 54 3.911 3.942 -0.031 1
1 170 . 7 1 1 A 20 20 GLY C C 54 174.876 174.935 -0.059 1
1 171 . 7 1 1 A 20 20 GLY CA C 54 45.206 45.408 -0.202 1
1 172 . 7 1 1 A 20 20 GLY N N 54 113.067 105.095 7.972 1
1 173 . 7 1 1 A 22 22 GLY CA C 56 45.279 46.148 -0.869 1
1 174 . 7 1 1 A 23 23 GLY H H 57 8.235 8.214 0.021 1
1 175 . 7 1 1 A 23 23 GLY HA2 H 57 3.929 4.078 -0.149 1
1 176 . 7 1 1 A 23 23 GLY C C 57 173.796 172.907 0.889 1
1 177 . 7 1 1 A 23 23 GLY CA C 57 45.348 45.935 -0.587 1
1 178 . 7 1 1 A 23 23 GLY N N 57 108.389 107.434 0.955 1
1 179 . 7 1 1 A 24 24 LYS HA H 58 4.804 4.360 0.444 1
1 180 . 7 1 1 A 24 24 LYS C C 58 175.908 175.107 0.801 1
1 181 . 7 1 1 A 24 24 LYS CA C 58 54.833 55.342 -0.509 1
1 182 . 7 1 1 A 24 24 LYS CB C 58 34.402 30.888 3.514 1
1 183 . 7 1 1 A 25 25 THR H H 59 8.413 8.058 0.355 1
1 184 . 7 1 1 A 25 25 THR HA H 59 4.482 4.604 -0.122 1
1 187 . 7 1 1 A 25 25 THR C C 59 171.934 172.203 -0.269 1
1 188 . 7 1 1 A 25 25 THR CA C 59 60.144 59.877 0.267 1
1 189 . 7 1 1 A 25 25 THR CB C 59 71.035 69.935 1.100 1
1 191 . 7 1 1 A 25 25 THR N N 59 115.947 117.727 -1.780 1
1 192 . 7 1 1 A 26 26 TYR H H 60 8.182 8.088 0.094 1
1 193 . 7 1 1 A 26 26 TYR HA H 60 4.883 5.603 -0.720 1
1 198 . 7 1 1 A 26 26 TYR C C 60 173.593 173.035 0.558 1
1 199 . 7 1 1 A 26 26 TYR CA C 60 54.043 55.206 -1.163 1
1 200 . 7 1 1 A 26 26 TYR CB C 60 40.100 42.086 -1.986 1
1 202 . 7 1 1 A 26 26 TYR N N 60 121.985 118.416 3.569 1
1 203 . 7 1 1 A 27 27 LYS H H 61 8.385 8.360 0.025 1
1 204 . 7 1 1 A 27 27 LYS HA H 61 4.563 5.130 -0.567 1
1 205 . 7 1 1 A 27 27 LYS C C 61 174.186 174.422 -0.236 1
1 206 . 7 1 1 A 27 27 LYS CA C 61 54.589 55.240 -0.651 1
1 207 . 7 1 1 A 27 27 LYS CB C 61 35.801 36.535 -0.734 1
1 208 . 7 1 1 A 27 27 LYS N N 61 120.203 120.106 0.097 1
1 209 . 7 1 1 A 28 28 TRP H H 62 8.524 8.589 -0.065 1
1 210 . 7 1 1 A 28 28 TRP HA H 62 5.361 5.598 -0.237 1
1 215 . 7 1 1 A 28 28 TRP C C 62 176.934 175.917 1.017 1
1 216 . 7 1 1 A 28 28 TRP CA C 62 56.499 55.366 1.133 1
1 217 . 7 1 1 A 28 28 TRP CB C 62 29.300 32.131 -2.831 1
1 218 . 7 1 1 A 28 28 TRP N N 62 122.913 125.275 -2.362 1
1 220 . 7 1 1 A 29 29 VAL H H 63 9.470 8.734 0.736 1
1 221 . 7 1 1 A 29 29 VAL HA H 63 4.626 4.976 -0.350 1
1 229 . 7 1 1 A 29 29 VAL C C 63 175.264 174.419 0.845 1
1 230 . 7 1 1 A 29 29 VAL CA C 63 59.163 59.210 -0.047 1
1 231 . 7 1 1 A 29 29 VAL CB C 63 34.759 36.043 -1.284 1
1 234 . 7 1 1 A 29 29 VAL N N 63 120.454 117.452 3.002 1
1 235 . 7 1 1 A 30 30 ASP H H 64 8.576 8.911 -0.335 1
1 236 . 7 1 1 A 30 30 ASP HA H 64 4.386 4.795 -0.409 1
1 237 . 7 1 1 A 30 30 ASP C C 64 174.186 176.316 -2.130 1
1 238 . 7 1 1 A 30 30 ASP CA C 64 55.907 54.080 1.827 1
1 239 . 7 1 1 A 30 30 ASP CB C 64 39.942 41.690 -1.748 1
1 240 . 7 1 1 A 30 30 ASP N N 64 123.588 121.995 1.593 1
1 241 . 7 1 1 A 31 31 GLU H H 65 9.482 9.400 0.082 1
1 242 . 7 1 1 A 31 31 GLU HA H 65 4.674 4.484 0.190 1
1 246 . 7 1 1 A 31 31 GLU C C 65 176.000 176.333 -0.333 1
1 247 . 7 1 1 A 31 31 GLU CA C 65 57.263 58.191 -0.928 1
1 248 . 7 1 1 A 31 31 GLU CB C 65 30.200 31.534 -1.334 1
1 250 . 7 1 1 A 31 31 GLU N N 65 124.008 123.851 0.157 1
1 251 . 7 1 1 A 32 32 PHE H H 66 7.257 7.446 -0.189 1
1 252 . 7 1 1 A 32 32 PHE HA H 66 4.940 5.159 -0.219 1
1 254 . 7 1 1 A 32 32 PHE C C 66 172.742 172.596 0.146 1
1 255 . 7 1 1 A 32 32 PHE CA C 66 56.316 56.546 -0.230 1
1 256 . 7 1 1 A 32 32 PHE CB C 66 38.948 40.782 -1.834 1
1 257 . 7 1 1 A 32 32 PHE N N 66 110.866 112.996 -2.130 1
1 258 . 7 1 1 A 33 33 THR H H 67 8.603 8.845 -0.242 1
1 259 . 7 1 1 A 33 33 THR HA H 67 5.377 5.343 0.034 1
1 262 . 7 1 1 A 33 33 THR C C 67 173.388 172.634 0.754 1
1 263 . 7 1 1 A 33 33 THR CA C 67 60.207 60.323 -0.116 1
1 264 . 7 1 1 A 33 33 THR CB C 67 71.620 71.528 0.092 1
1 266 . 7 1 1 A 33 33 THR N N 67 114.847 115.150 -0.303 1
1 267 . 7 1 1 A 34 34 ALA H H 68 9.185 8.755 0.430 1
1 268 . 7 1 1 A 34 34 ALA HA H 68 4.873 4.990 -0.117 1
1 272 . 7 1 1 A 34 34 ALA C C 68 174.999 175.813 -0.814 1
1 273 . 7 1 1 A 34 34 ALA CA C 68 50.660 51.415 -0.755 1
1 274 . 7 1 1 A 34 34 ALA CB C 68 23.911 23.824 0.087 1
1 275 . 7 1 1 A 34 34 ALA N N 68 125.817 129.418 -3.601 1
1 276 . 7 1 1 A 35 35 ALA H H 69 8.347 8.624 -0.277 1
1 277 . 7 1 1 A 35 35 ALA HA H 69 4.889 5.118 -0.229 1
1 281 . 7 1 1 A 35 35 ALA C C 69 176.937 176.999 -0.062 1
1 282 . 7 1 1 A 35 35 ALA CA C 69 51.329 51.481 -0.152 1
1 283 . 7 1 1 A 35 35 ALA CB C 69 19.210 19.928 -0.718 1
1 284 . 7 1 1 A 35 35 ALA N N 69 122.342 122.869 -0.527 1
1 285 . 7 1 1 A 36 36 ALA H H 70 8.468 8.968 -0.500 1
1 286 . 7 1 1 A 36 36 ALA HA H 70 4.996 4.902 0.094 1
1 290 . 7 1 1 A 36 36 ALA C C 70 175.102 175.193 -0.091 1
1 291 . 7 1 1 A 36 36 ALA CA C 70 50.876 51.710 -0.834 1
1 292 . 7 1 1 A 36 36 ALA CB C 70 23.556 23.370 0.186 1
1 293 . 7 1 1 A 36 36 ALA N N 70 120.267 125.303 -5.036 1
1 294 . 7 1 1 A 37 37 HIS H H 71 9.136 8.612 0.524 1
1 295 . 7 1 1 A 37 37 HIS HA H 71 5.343 5.351 -0.008 1
1 298 . 7 1 1 A 37 37 HIS C C 71 174.002 173.322 0.680 1
1 299 . 7 1 1 A 37 37 HIS CA C 71 54.803 53.359 1.444 1
1 300 . 7 1 1 A 37 37 HIS CB C 71 32.322 32.326 -0.004 1
1 301 . 7 1 1 A 37 37 HIS N N 71 119.360 118.997 0.363 1
1 302 . 7 1 1 A 38 38 VAL H H 72 8.557 9.041 -0.484 1
1 303 . 7 1 1 A 38 38 VAL HA H 72 4.174 4.232 -0.058 1
1 311 . 7 1 1 A 38 38 VAL C C 72 174.000 173.766 0.234 1
1 312 . 7 1 1 A 38 38 VAL CA C 72 61.587 61.050 0.537 1
1 313 . 7 1 1 A 38 38 VAL CB C 72 31.381 31.842 -0.461 1
1 316 . 7 1 1 A 38 38 VAL N N 72 127.947 128.057 -0.110 1
1 317 . 7 1 1 A 39 39 GLN H H 73 8.971 8.238 0.733 1
1 318 . 7 1 1 A 39 39 GLN HA H 73 5.019 3.801 1.218 1
1 321 . 7 1 1 A 39 39 GLN C C 73 173.260 173.593 -0.333 1
1 322 . 7 1 1 A 39 39 GLN CA C 73 51.310 51.684 -0.374 1
1 323 . 7 1 1 A 39 39 GLN CB C 73 30.955 31.432 -0.477 1
1 324 . 7 1 1 A 39 39 GLN N N 73 127.985 127.687 0.298 1
1 325 . 7 1 1 A 40 40 PRO HA H 74 4.707 4.140 0.567 1
1 329 . 7 1 1 A 40 40 PRO C C 74 3.820 176.874 -173.054 1
1 330 . 7 1 1 A 40 40 PRO CA C 74 176.828 63.182 113.646 1
1 331 . 7 1 1 A 40 40 PRO CB C 74 62.215 32.276 29.939 1
1 333 . 7 1 1 A 40 40 PRO N N 74 50.800 137.945 -87.145 1
1 334 . 7 1 1 A 41 41 ILE H H 75 8.105 8.590 -0.485 1
1 335 . 7 1 1 A 41 41 ILE HA H 75 4.074 3.988 0.086 1
1 338 . 7 1 1 A 41 41 ILE C C 75 175.881 175.514 0.367 1
1 339 . 7 1 1 A 41 41 ILE CA C 75 61.399 62.251 -0.852 1
1 340 . 7 1 1 A 41 41 ILE CB C 75 38.214 36.831 1.383 1
1 342 . 7 1 1 A 41 41 ILE N N 75 122.818 118.098 4.720 1
1 343 . 7 1 1 A 43 43 GLN HA H 77 4.267 4.464 -0.197 1
1 344 . 7 1 1 A 43 43 GLN C C 77 176.255 177.752 -1.497 1
1 345 . 7 1 1 A 43 43 GLN CA C 77 56.500 57.549 -1.049 1
1 346 . 7 1 1 A 43 43 GLN CB C 77 29.100 29.619 -0.519 1
1 347 . 7 1 1 A 44 44 GLU H H 78 8.458 7.869 0.589 1
1 348 . 7 1 1 A 44 44 GLU HA H 78 4.184 4.042 0.142 1
1 351 . 7 1 1 A 44 44 GLU C C 78 177.000 176.538 0.462 1
1 352 . 7 1 1 A 44 44 GLU CA C 78 57.400 58.630 -1.230 1
1 353 . 7 1 1 A 44 44 GLU CB C 78 29.148 30.218 -1.070 1
1 355 . 7 1 1 A 44 44 GLU N N 78 120.627 119.235 1.392 1
1 356 . 7 1 1 A 45 45 GLU H H 79 8.283 7.846 0.437 1
1 357 . 7 1 1 A 45 45 GLU HA H 79 4.121 4.535 -0.414 1
1 360 . 7 1 1 A 45 45 GLU C C 79 176.972 176.335 0.637 1
1 361 . 7 1 1 A 45 45 GLU CA C 79 57.106 55.128 1.978 1
1 362 . 7 1 1 A 45 45 GLU CB C 79 29.680 30.083 -0.403 1
1 364 . 7 1 1 A 45 45 GLU N N 79 119.997 119.208 0.789 1
1 365 . 7 1 1 A 46 46 TYR H H 80 7.961 8.738 -0.777 1
1 366 . 7 1 1 A 46 46 TYR HA H 80 4.369 4.355 0.014 1
1 369 . 7 1 1 A 46 46 TYR C C 80 176.086 176.057 0.029 1
1 370 . 7 1 1 A 46 46 TYR CA C 80 58.284 60.757 -2.473 1
1 371 . 7 1 1 A 46 46 TYR CB C 80 38.214 38.895 -0.681 1
1 372 . 7 1 1 A 46 46 TYR N N 80 119.582 125.108 -5.526 1
1 373 . 7 1 1 A 47 47 TYR H H 81 7.918 8.453 -0.535 1
1 374 . 7 1 1 A 47 47 TYR HA H 81 4.399 4.501 -0.102 1
1 378 . 7 1 1 A 47 47 TYR C C 81 176.566 174.158 2.408 1
1 379 . 7 1 1 A 47 47 TYR CA C 81 58.479 60.373 -1.894 1
1 380 . 7 1 1 A 47 47 TYR CB C 81 38.042 38.190 -0.148 1
1 381 . 7 1 1 A 47 47 TYR N N 81 119.336 119.563 -0.227 1
1 382 . 7 1 1 A 48 48 LYS HA H 82 4.090 4.604 -0.514 1
1 383 . 7 1 1 A 48 48 LYS C C 82 176.894 174.191 2.703 1
1 384 . 7 1 1 A 48 48 LYS CA C 82 56.786 55.728 1.058 1
1 385 . 7 1 1 A 48 48 LYS CB C 82 32.306 36.033 -3.727 1
1 386 . 7 1 1 A 49 49 ALA H H 83 7.999 8.043 -0.044 1
1 387 . 7 1 1 A 49 49 ALA HA H 83 4.178 4.684 -0.506 1
1 391 . 7 1 1 A 49 49 ALA C C 83 178.193 178.358 -0.165 1
1 392 . 7 1 1 A 49 49 ALA CA C 83 52.825 51.447 1.378 1
1 393 . 7 1 1 A 49 49 ALA CB C 83 18.200 19.556 -1.356 1
1 394 . 7 1 1 A 49 49 ALA N N 83 122.394 125.502 -3.108 1
1 395 . 7 1 1 A 50 50 GLN H H 84 8.006 8.263 -0.257 1
1 396 . 7 1 1 A 50 50 GLN HA H 84 4.167 3.968 0.199 1
1 400 . 7 1 1 A 50 50 GLN C C 84 176.200 175.715 0.485 1
1 401 . 7 1 1 A 50 50 GLN CA C 84 56.016 58.437 -2.421 1
1 402 . 7 1 1 A 50 50 GLN CB C 84 28.467 27.315 1.152 1
1 404 . 7 1 1 A 50 50 GLN N N 84 116.623 113.744 2.879 1
1 405 . 7 1 1 A 51 51 GLN H H 85 8.085 7.860 0.225 1
1 406 . 7 1 1 A 51 51 GLN HA H 85 4.223 4.550 -0.327 1
1 410 . 7 1 1 A 51 51 GLN CA C 85 56.393 56.571 -0.178 1
1 411 . 7 1 1 A 51 51 GLN CB C 85 28.600 30.224 -1.624 1
1 413 . 7 1 1 A 51 51 GLN N N 85 118.681 115.919 2.762 1
1 414 . 7 1 1 A 53 53 GLN HA H 87 4.268 5.086 -0.818 1
1 415 . 7 1 1 A 53 53 GLN C C 87 175.517 175.508 0.009 1
1 416 . 7 1 1 A 53 53 GLN CA C 87 55.821 54.004 1.817 1
1 417 . 7 1 1 A 53 53 GLN CB C 87 28.296 31.926 -3.630 1
1 418 . 7 1 1 A 54 54 THR H H 88 7.950 8.830 -0.880 1
1 419 . 7 1 1 A 54 54 THR HA H 88 4.540 4.713 -0.173 1
1 422 . 7 1 1 A 54 54 THR C C 88 172.445 173.457 -1.012 1
1 423 . 7 1 1 A 54 54 THR CA C 88 59.184 59.969 -0.785 1
1 424 . 7 1 1 A 54 54 THR CB C 88 69.534 69.148 0.386 1
1 426 . 7 1 1 A 54 54 THR N N 88 116.337 117.446 -1.109 1
1 427 . 7 1 1 A 55 55 PRO HA H 89 4.410 4.850 -0.440 1
1 431 . 7 1 1 A 55 55 PRO C C 89 3.600 176.219 -172.619 1
1 432 . 7 1 1 A 55 55 PRO CA C 89 176.508 62.446 114.062 1
1 433 . 7 1 1 A 55 55 PRO CB C 89 62.325 32.053 30.272 1
1 436 . 7 1 1 A 55 55 PRO N N 89 50.400 139.857 -89.457 1
1 437 . 7 1 1 A 56 56 ILE H H 90 8.247 7.893 0.354 1
1 438 . 7 1 1 A 56 56 ILE HA H 90 3.993 4.434 -0.441 1
1 443 . 7 1 1 A 56 56 ILE C C 90 175.132 174.865 0.267 1
1 444 . 7 1 1 A 56 56 ILE CA C 90 60.718 60.838 -0.120 1
1 445 . 7 1 1 A 56 56 ILE CB C 90 38.277 40.609 -2.332 1
1 447 . 7 1 1 A 56 56 ILE N N 90 121.921 120.873 1.048 1
1 448 . 7 1 1 A 57 57 GLY H H 91 7.820 8.515 -0.695 1
1 449 . 7 1 1 A 57 57 GLY HA2 H 91 4.550 4.248 0.302 1
1 450 . 7 1 1 A 57 57 GLY HA3 H 91 3.640 4.285 -0.645 1
1 451 . 7 1 1 A 57 57 GLY C C 91 172.184 171.021 1.163 1
1 452 . 7 1 1 A 57 57 GLY CA C 91 43.575 46.157 -2.582 1
1 453 . 7 1 1 A 57 57 GLY N N 91 110.987 114.982 -3.995 1
1 454 . 7 1 1 A 58 58 TYR H H 92 8.593 8.378 0.215 1
1 455 . 7 1 1 A 58 58 TYR HA H 92 5.166 5.057 0.109 1
1 460 . 7 1 1 A 58 58 TYR C C 92 175.122 174.652 0.470 1
1 461 . 7 1 1 A 58 58 TYR CA C 92 56.544 56.428 0.116 1
1 462 . 7 1 1 A 58 58 TYR CB C 92 43.819 40.851 2.968 1
1 465 . 7 1 1 A 58 58 TYR N N 92 116.307 120.377 -4.070 1
1 466 . 7 1 1 A 59 59 ASN H H 93 8.964 8.989 -0.025 1
1 467 . 7 1 1 A 59 59 ASN HA H 93 5.116 5.451 -0.335 1
1 470 . 7 1 1 A 59 59 ASN C C 93 173.457 173.917 -0.460 1
1 471 . 7 1 1 A 59 59 ASN CA C 93 52.717 51.148 1.569 1
1 472 . 7 1 1 A 59 59 ASN CB C 93 40.420 41.180 -0.760 1
1 473 . 7 1 1 A 59 59 ASN N N 93 119.232 122.315 -3.083 1
1 474 . 7 1 1 A 60 60 ILE H H 94 9.013 9.098 -0.085 1
1 475 . 7 1 1 A 60 60 ILE HA H 94 4.383 4.911 -0.528 1
1 476 . 7 1 1 A 60 60 ILE C C 94 173.370 173.722 -0.352 1
1 477 . 7 1 1 A 60 60 ILE CA C 94 60.231 59.855 0.376 1
1 478 . 7 1 1 A 60 60 ILE CB C 94 38.728 40.483 -1.755 1
1 479 . 7 1 1 A 60 60 ILE N N 94 123.021 124.528 -1.507 1
1 480 . 7 1 1 A 61 61 TYR H H 95 8.867 8.702 0.165 1
1 481 . 7 1 1 A 61 61 TYR HA H 95 5.279 5.403 -0.124 1
1 486 . 7 1 1 A 61 61 TYR C C 95 174.262 173.998 0.264 1
1 487 . 7 1 1 A 61 61 TYR CA C 95 55.732 55.945 -0.213 1
1 488 . 7 1 1 A 61 61 TYR CB C 95 39.723 40.310 -0.587 1
1 491 . 7 1 1 A 61 61 TYR N N 95 125.343 125.627 -0.284 1
1 492 . 7 1 1 A 62 62 THR H H 96 8.998 8.576 0.422 1
1 493 . 7 1 1 A 62 62 THR HA H 96 4.889 4.809 0.080 1
1 496 . 7 1 1 A 62 62 THR C C 96 172.708 172.190 0.518 1
1 497 . 7 1 1 A 62 62 THR CA C 96 58.248 58.076 0.172 1
1 498 . 7 1 1 A 62 62 THR CB C 96 73.097 72.672 0.425 1
1 500 . 7 1 1 A 62 62 THR N N 96 119.223 121.139 -1.916 1
1 501 . 7 1 1 A 63 63 PRO HA H 97 4.410 4.758 -0.348 1
1 503 . 7 1 1 A 63 63 PRO C C 97 3.190 177.042 -173.852 1
1 504 . 7 1 1 A 63 63 PRO CA C 97 175.250 62.640 112.610 1
1 505 . 7 1 1 A 63 63 PRO CB C 97 63.642 32.598 31.044 1
1 507 . 7 1 1 A 63 63 PRO N N 97 51.700 138.971 -87.271 1
1 508 . 7 1 1 A 64 64 TYR H H 98 7.826 9.148 -1.322 1
1 509 . 7 1 1 A 64 64 TYR HA H 98 4.265 4.300 -0.035 1
1 514 . 7 1 1 A 64 64 TYR C C 98 175.150 173.904 1.246 1
1 515 . 7 1 1 A 64 64 TYR CA C 98 59.434 60.108 -0.674 1
1 516 . 7 1 1 A 64 64 TYR CB C 98 37.240 37.189 0.051 1
1 518 . 7 1 1 A 64 64 TYR N N 98 122.118 122.625 -0.507 1
1 519 . 7 1 1 A 65 65 ASP H H 99 5.931 8.151 -2.220 1
1 520 . 7 1 1 A 65 65 ASP HA H 99 4.255 4.736 -0.481 1
1 523 . 7 1 1 A 65 65 ASP C C 99 176.079 175.615 0.464 1
1 524 . 7 1 1 A 65 65 ASP CA C 99 52.885 53.405 -0.520 1
1 525 . 7 1 1 A 65 65 ASP CB C 99 43.486 42.580 0.906 1
1 526 . 7 1 1 A 65 65 ASP N N 99 125.409 119.292 6.117 1
1 527 . 7 1 1 A 66 66 ASP H H 100 8.703 8.175 0.528 1
1 528 . 7 1 1 A 66 66 ASP HA H 100 4.058 4.767 -0.709 1
1 531 . 7 1 1 A 66 66 ASP C C 100 176.300 176.327 -0.027 1
1 532 . 7 1 1 A 66 66 ASP CA C 100 55.332 52.624 2.708 1
1 533 . 7 1 1 A 66 66 ASP CB C 100 40.206 40.171 0.035 1
1 534 . 7 1 1 A 66 66 ASP N N 100 128.295 118.332 9.963 1
1 535 . 7 1 1 A 67 67 ARG H H 101 8.832 7.665 1.167 1
1 536 . 7 1 1 A 67 67 ARG HA H 101 3.944 4.335 -0.391 1
1 538 . 7 1 1 A 67 67 ARG C C 101 177.624 178.087 -0.463 1
1 539 . 7 1 1 A 67 67 ARG CA C 101 56.509 57.261 -0.752 1
1 540 . 7 1 1 A 67 67 ARG CB C 101 31.162 31.126 0.036 1
1 541 . 7 1 1 A 67 67 ARG N N 101 117.507 119.615 -2.108 1
1 542 . 7 1 1 A 68 68 ILE H H 102 7.004 7.772 -0.768 1
1 543 . 7 1 1 A 68 68 ILE HA H 102 3.507 4.148 -0.641 1
1 548 . 7 1 1 A 68 68 ILE C C 102 174.835 176.414 -1.579 1
1 549 . 7 1 1 A 68 68 ILE CA C 102 63.638 65.163 -1.525 1
1 550 . 7 1 1 A 68 68 ILE CB C 102 36.617 38.039 -1.422 1
1 552 . 7 1 1 A 68 68 ILE N N 102 116.003 120.301 -4.298 1
1 553 . 7 1 1 A 69 69 ASP H H 103 8.026 8.077 -0.051 1
1 554 . 7 1 1 A 69 69 ASP HA H 103 4.954 5.118 -0.164 1
1 557 . 7 1 1 A 69 69 ASP C C 103 175.574 175.530 0.044 1
1 558 . 7 1 1 A 69 69 ASP CA C 103 52.485 52.993 -0.508 1
1 559 . 7 1 1 A 69 69 ASP CB C 103 45.984 42.647 3.337 1
1 560 . 7 1 1 A 69 69 ASP N N 103 129.672 120.299 9.373 1
1 561 . 7 1 1 A 70 70 LYS H H 104 8.505 8.858 -0.353 1
1 562 . 7 1 1 A 70 70 LYS C C 104 175.300 175.588 -0.288 1
1 563 . 7 1 1 A 70 70 LYS CA C 104 58.027 55.859 2.168 1
1 564 . 7 1 1 A 70 70 LYS CB C 104 31.376 33.146 -1.770 1
1 565 . 7 1 1 A 70 70 LYS N N 104 119.646 124.250 -4.604 1
1 566 . 7 1 1 A 71 71 LYS H H 105 8.653 8.136 0.517 1
1 567 . 7 1 1 A 71 71 LYS HA H 105 4.513 4.018 0.495 1
1 571 . 7 1 1 A 71 71 LYS C C 105 178.190 175.210 2.980 1
1 572 . 7 1 1 A 71 71 LYS CA C 105 56.415 57.231 -0.816 1
1 573 . 7 1 1 A 71 71 LYS CB C 105 30.942 31.024 -0.082 1
1 575 . 7 1 1 A 71 71 LYS N N 105 118.554 118.796 -0.242 1
1 576 . 7 1 1 A 72 72 MET H H 106 7.596 7.396 0.200 1
1 577 . 7 1 1 A 72 72 MET HA H 106 5.019 5.373 -0.354 1
1 578 . 7 1 1 A 72 72 MET C C 106 172.309 174.390 -2.081 1
1 579 . 7 1 1 A 72 72 MET CA C 106 56.500 54.496 2.004 1
1 580 . 7 1 1 A 72 72 MET CB C 106 34.892 38.229 -3.337 1
1 581 . 7 1 1 A 72 72 MET N N 106 119.949 119.856 0.093 1
1 582 . 7 1 1 A 73 73 ARG H H 107 8.266 8.607 -0.341 1
1 583 . 7 1 1 A 73 73 ARG HA H 107 4.075 4.734 -0.659 1
1 585 . 7 1 1 A 73 73 ARG C C 107 172.995 174.400 -1.405 1
1 586 . 7 1 1 A 73 73 ARG CA C 107 53.348 54.609 -1.261 1
1 587 . 7 1 1 A 73 73 ARG CB C 107 31.579 33.617 -2.038 1
1 588 . 7 1 1 A 73 73 ARG N N 107 112.423 121.809 -9.386 1
1 589 . 7 1 1 A 74 74 VAL H H 108 8.371 8.241 0.130 1
1 590 . 7 1 1 A 74 74 VAL HA H 108 4.954 4.808 0.146 1
1 598 . 7 1 1 A 74 74 VAL C C 108 173.137 174.614 -1.477 1
1 599 . 7 1 1 A 74 74 VAL CA C 108 58.400 60.611 -2.211 1
1 600 . 7 1 1 A 74 74 VAL CB C 108 35.700 35.690 0.010 1
1 603 . 7 1 1 A 74 74 VAL N N 108 117.751 125.853 -8.102 1
1 604 . 7 1 1 A 75 75 ILE H H 109 8.644 8.830 -0.186 1
1 605 . 7 1 1 A 75 75 ILE HA H 109 4.772 4.762 0.010 1
1 610 . 7 1 1 A 75 75 ILE C C 109 176.377 173.979 2.398 1
1 611 . 7 1 1 A 75 75 ILE CA C 109 57.500 60.026 -2.526 1
1 612 . 7 1 1 A 75 75 ILE CB C 109 35.550 38.572 -3.022 1
1 614 . 7 1 1 A 75 75 ILE N N 109 122.741 127.080 -4.339 1
1 615 . 7 1 1 A 76 76 TYR H H 110 8.928 9.150 -0.222 1
1 616 . 7 1 1 A 76 76 TYR HA H 110 4.873 4.878 -0.005 1
1 621 . 7 1 1 A 76 76 TYR C C 110 173.400 175.474 -2.074 1
1 622 . 7 1 1 A 76 76 TYR CA C 110 54.699 57.179 -2.480 1
1 623 . 7 1 1 A 76 76 TYR CB C 110 40.392 39.580 0.812 1
1 626 . 7 1 1 A 76 76 TYR N N 110 129.091 128.594 0.497 1
1 627 . 7 1 1 A 77 77 ARG H H 111 9.206 9.104 0.102 1
1 628 . 7 1 1 A 77 77 ARG HA H 111 3.537 3.916 -0.379 1
1 633 . 7 1 1 A 77 77 ARG C C 111 176.065 175.260 0.805 1
1 634 . 7 1 1 A 77 77 ARG CA C 111 56.490 57.039 -0.549 1
1 635 . 7 1 1 A 77 77 ARG CB C 111 27.448 28.937 -1.489 1
1 636 . 7 1 1 A 77 77 ARG N N 111 126.774 127.272 -0.498 1
1 637 . 7 1 1 A 78 78 GLY H H 112 8.155 8.463 -0.308 1
1 638 . 7 1 1 A 78 78 GLY HA2 H 112 4.040 3.810 0.230 1
1 639 . 7 1 1 A 78 78 GLY HA3 H 112 3.540 3.813 -0.273 1
1 640 . 7 1 1 A 78 78 GLY C C 112 173.810 173.329 0.481 1
1 641 . 7 1 1 A 78 78 GLY CA C 112 45.284 45.486 -0.202 1
1 642 . 7 1 1 A 78 78 GLY N N 112 102.172 105.331 -3.159 1
1 643 . 7 1 1 A 79 79 LYS HA H 113 3.910 4.612 -0.702 1
1 644 . 7 1 1 A 79 79 LYS C C 113 174.750 174.709 0.041 1
1 645 . 7 1 1 A 79 79 LYS CA C 113 53.808 54.954 -1.146 1
1 646 . 7 1 1 A 79 79 LYS CB C 113 33.298 34.595 -1.297 1
1 647 . 7 1 1 A 80 80 ILE H H 114 8.484 8.925 -0.441 1
1 648 . 7 1 1 A 80 80 ILE HA H 114 3.860 5.099 -1.239 1
1 653 . 7 1 1 A 80 80 ILE C C 114 174.732 174.083 0.649 1
1 654 . 7 1 1 A 80 80 ILE CA C 114 61.130 60.027 1.103 1
1 655 . 7 1 1 A 80 80 ILE CB C 114 37.740 40.834 -3.094 1
1 657 . 7 1 1 A 80 80 ILE N N 114 121.186 127.716 -6.530 1
1 658 . 7 1 1 A 81 81 VAL H H 115 9.395 8.490 0.905 1
1 659 . 7 1 1 A 81 81 VAL HA H 115 4.645 4.658 -0.013 1
1 664 . 7 1 1 A 81 81 VAL C C 115 174.934 174.135 0.799 1
1 665 . 7 1 1 A 81 81 VAL CA C 115 60.401 60.196 0.205 1
1 666 . 7 1 1 A 81 81 VAL CB C 115 32.142 35.724 -3.582 1
1 668 . 7 1 1 A 81 81 VAL N N 115 129.212 129.235 -0.023 1
1 669 . 7 1 1 A 82 82 THR H H 116 8.661 8.342 0.319 1
1 670 . 7 1 1 A 82 82 THR HA H 116 4.483 4.562 -0.079 1
1 673 . 7 1 1 A 82 82 THR C C 116 175.000 173.446 1.554 1
1 674 . 7 1 1 A 82 82 THR CA C 116 59.911 61.505 -1.594 1
1 675 . 7 1 1 A 82 82 THR CB C 116 69.844 70.229 -0.385 1
1 677 . 7 1 1 A 82 82 THR N N 116 120.129 121.728 -1.599 1
1 678 . 7 1 1 A 83 83 PHE H H 117 9.153 8.200 0.953 1
1 679 . 7 1 1 A 83 83 PHE HA H 117 5.003 5.113 -0.110 1
1 681 . 7 1 1 A 83 83 PHE C C 117 177.126 172.120 5.006 1
1 682 . 7 1 1 A 83 83 PHE CA C 117 55.003 56.161 -1.158 1
1 683 . 7 1 1 A 83 83 PHE CB C 117 37.018 40.728 -3.710 1
1 684 . 7 1 1 A 83 83 PHE N N 117 123.251 121.175 2.076 1
1 685 . 7 1 1 A 84 84 ILE H H 118 8.882 8.776 0.106 1
1 686 . 7 1 1 A 84 84 ILE HA H 118 4.320 5.169 -0.849 1
1 695 . 7 1 1 A 84 84 ILE C C 118 175.958 174.699 1.259 1
1 696 . 7 1 1 A 84 84 ILE CA C 118 60.275 59.374 0.901 1
1 697 . 7 1 1 A 84 84 ILE CB C 118 37.057 42.481 -5.424 1
1 700 . 7 1 1 A 84 84 ILE N N 118 122.450 120.930 1.520 1
1 701 . 7 1 1 A 85 85 GLY H H 119 8.198 8.256 -0.058 1
1 702 . 7 1 1 A 85 85 GLY HA2 H 119 4.050 4.225 -0.175 1
1 703 . 7 1 1 A 85 85 GLY HA3 H 119 3.900 4.248 -0.348 1
1 704 . 7 1 1 A 85 85 GLY C C 119 172.376 171.514 0.862 1
1 705 . 7 1 1 A 85 85 GLY CA C 119 44.033 45.841 -1.808 1
1 706 . 7 1 1 A 85 85 GLY N N 119 112.995 112.230 0.765 1
1 707 . 7 1 1 A 86 86 ASP H H 120 8.132 8.688 -0.556 1
1 708 . 7 1 1 A 86 86 ASP HA H 120 4.938 5.249 -0.311 1
1 711 . 7 1 1 A 86 86 ASP C C 120 175.418 174.486 0.932 1
1 712 . 7 1 1 A 86 86 ASP CA C 120 52.656 50.863 1.793 1
1 713 . 7 1 1 A 86 86 ASP CB C 120 40.163 44.381 -4.218 1
1 714 . 7 1 1 A 86 86 ASP N N 120 119.130 119.804 -0.674 1
1 715 . 7 1 1 A 87 87 PRO HA H 121 4.470 4.926 -0.456 1
1 719 . 7 1 1 A 87 87 PRO CA C 121 175.750 62.206 113.544 1
1 720 . 7 1 1 A 87 87 PRO CB C 121 62.414 32.576 29.838 1
1 723 . 7 1 1 A 87 87 PRO N N 121 49.700 138.870 -89.170 1
1 724 . 7 1 1 A 88 88 VAL H H 122 8.707 8.640 0.067 1
1 725 . 7 1 1 A 88 88 VAL HA H 122 4.400 4.991 -0.591 1
1 733 . 7 1 1 A 88 88 VAL C C 122 174.250 174.426 -0.176 1
1 734 . 7 1 1 A 88 88 VAL CA C 122 60.598 59.091 1.507 1
1 735 . 7 1 1 A 88 88 VAL CB C 122 34.847 35.474 -0.627 1
1 738 . 7 1 1 A 88 88 VAL N N 122 121.987 116.573 5.414 1
1 739 . 7 1 1 A 89 89 ASP H H 123 8.437 8.495 -0.058 1
1 740 . 7 1 1 A 89 89 ASP HA H 123 5.068 5.182 -0.114 1
1 743 . 7 1 1 A 89 89 ASP C C 123 177.435 176.280 1.155 1
1 744 . 7 1 1 A 89 89 ASP CA C 123 52.751 52.905 -0.154 1
1 745 . 7 1 1 A 89 89 ASP CB C 123 40.191 42.751 -2.560 1
1 746 . 7 1 1 A 89 89 ASP N N 123 125.856 123.141 2.715 1
1 747 . 7 1 1 A 90 90 LEU H H 124 8.793 9.401 -0.608 1
1 748 . 7 1 1 A 90 90 LEU HA H 124 4.047 4.582 -0.535 1
1 749 . 7 1 1 A 90 90 LEU CA C 124 56.836 55.313 1.523 1
1 750 . 7 1 1 A 90 90 LEU CB C 124 41.301 43.379 -2.078 1
1 751 . 7 1 1 A 90 90 LEU N N 124 128.178 123.959 4.219 1
1 752 . 7 1 1 A 91 91 SER H H 125 8.927 7.875 1.052 1
1 753 . 7 1 1 A 91 91 SER HA H 125 4.287 4.590 -0.303 1
1 754 . 7 1 1 A 91 91 SER C C 125 173.984 174.432 -0.448 1
1 755 . 7 1 1 A 91 91 SER CA C 125 58.498 59.842 -1.344 1
1 756 . 7 1 1 A 91 91 SER CB C 125 63.600 61.564 2.036 1
1 757 . 7 1 1 A 91 91 SER N N 125 115.226 114.839 0.387 1
1 758 . 7 1 1 A 92 92 GLY H H 126 8.250 7.767 0.483 1
1 759 . 7 1 1 A 92 92 GLY HA2 H 126 3.950 4.005 -0.055 1
1 760 . 7 1 1 A 92 92 GLY HA3 H 126 3.670 4.039 -0.369 1
1 761 . 7 1 1 A 92 92 GLY C C 126 174.700 174.774 -0.074 1
1 762 . 7 1 1 A 92 92 GLY CA C 126 45.900 44.298 1.602 1
1 763 . 7 1 1 A 92 92 GLY N N 126 109.395 109.803 -0.408 1
1 764 . 7 1 1 A 94 94 GLN C C 128 174.459 175.627 -1.168 1
1 765 . 7 1 1 A 94 94 GLN CA C 128 56.434 56.030 0.404 1
1 766 . 7 1 1 A 94 94 GLN CB C 128 25.491 29.675 -4.184 1
1 767 . 7 1 1 A 95 95 GLU H H 129 8.474 8.125 0.349 1
1 768 . 7 1 1 A 95 95 GLU HA H 129 4.596 3.944 0.652 1
1 772 . 7 1 1 A 95 95 GLU C C 129 177.559 174.936 2.623 1
1 773 . 7 1 1 A 95 95 GLU CA C 129 57.183 57.366 -0.183 1
1 774 . 7 1 1 A 95 95 GLU CB C 129 31.432 27.219 4.213 1
1 775 . 7 1 1 A 95 95 GLU N N 129 115.145 117.156 -2.011 1
1 776 . 7 1 1 A 96 96 ILE H H 130 9.393 7.826 1.567 1
1 777 . 7 1 1 A 96 96 ILE HA H 130 4.660 5.115 -0.455 1
1 782 . 7 1 1 A 96 96 ILE C C 130 173.821 174.542 -0.721 1
1 783 . 7 1 1 A 96 96 ILE CA C 130 59.481 59.366 0.115 1
1 784 . 7 1 1 A 96 96 ILE CB C 130 41.386 41.043 0.343 1
1 785 . 7 1 1 A 96 96 ILE N N 130 124.603 115.330 9.273 1
1 786 . 7 1 1 A 97 97 THR H H 131 9.341 8.938 0.403 1
1 787 . 7 1 1 A 97 97 THR HA H 131 5.135 5.160 -0.025 1
1 790 . 7 1 1 A 97 97 THR C C 131 172.742 174.008 -1.266 1
1 791 . 7 1 1 A 97 97 THR CA C 131 62.458 61.230 1.228 1
1 792 . 7 1 1 A 97 97 THR CB C 131 69.995 71.247 -1.252 1
1 794 . 7 1 1 A 97 97 THR N N 131 125.280 120.690 4.590 1
1 795 . 7 1 1 A 98 98 ARG H H 132 9.286 9.355 -0.069 1
1 796 . 7 1 1 A 98 98 ARG HA H 132 5.263 5.091 0.172 1
1 802 . 7 1 1 A 98 98 ARG C C 132 175.462 174.800 0.662 1
1 803 . 7 1 1 A 98 98 ARG CA C 132 53.122 54.626 -1.504 1
1 804 . 7 1 1 A 98 98 ARG CB C 132 32.555 33.574 -1.019 1
1 805 . 7 1 1 A 98 98 ARG N N 132 126.525 123.463 3.062 1
1 806 . 7 1 1 A 99 99 ILE H H 133 9.338 8.585 0.753 1
1 807 . 7 1 1 A 99 99 ILE HA H 133 3.959 4.896 -0.937 1
1 816 . 7 1 1 A 99 99 ILE C C 133 173.860 174.344 -0.484 1
1 817 . 7 1 1 A 99 99 ILE CA C 133 59.719 59.633 0.086 1
1 818 . 7 1 1 A 99 99 ILE CB C 133 41.429 40.639 0.790 1
1 821 . 7 1 1 A 99 99 ILE N N 133 129.483 123.562 5.921 1
1 822 . 7 1 1 A 100 100 LYS H H 134 8.457 8.540 -0.083 1
1 823 . 7 1 1 A 100 100 LYS HA H 134 4.990 5.199 -0.209 1
1 824 . 7 1 1 A 100 100 LYS C C 134 175.750 174.998 0.752 1
1 825 . 7 1 1 A 100 100 LYS CA C 134 54.548 54.305 0.243 1
1 826 . 7 1 1 A 100 100 LYS CB C 134 32.800 35.667 -2.867 1
1 827 . 7 1 1 A 100 100 LYS N N 134 128.506 127.961 0.545 1
1 828 . 7 1 1 A 101 101 GLY H H 135 8.968 8.922 0.046 1
1 829 . 7 1 1 A 101 101 GLY HA2 H 135 5.350 4.349 1.001 1
1 830 . 7 1 1 A 101 101 GLY HA3 H 135 3.290 4.378 -1.088 1
1 831 . 7 1 1 A 101 101 GLY C C 135 171.558 172.539 -0.981 1
1 832 . 7 1 1 A 101 101 GLY CA C 135 44.286 44.341 -0.055 1
1 833 . 7 1 1 A 101 101 GLY N N 135 110.167 112.326 -2.159 1
1 834 . 7 1 1 A 102 102 LYS H H 136 9.158 8.922 0.236 1
1 835 . 7 1 1 A 102 102 LYS C C 136 174.516 173.918 0.598 1
1 836 . 7 1 1 A 102 102 LYS CA C 136 53.781 54.730 -0.949 1
1 837 . 7 1 1 A 102 102 LYS CB C 136 34.807 36.706 -1.899 1
1 838 . 7 1 1 A 102 102 LYS N N 136 119.838 117.715 2.123 1
1 839 . 7 1 1 A 103 103 GLU H H 137 8.711 8.914 -0.203 1
1 840 . 7 1 1 A 103 103 GLU HA H 137 4.709 5.298 -0.589 1
1 841 . 7 1 1 A 103 103 GLU C C 137 176.875 174.803 2.072 1
1 842 . 7 1 1 A 103 103 GLU CA C 137 56.833 54.779 2.054 1
1 843 . 7 1 1 A 103 103 GLU CB C 137 30.640 32.950 -2.310 1
1 844 . 7 1 1 A 103 103 GLU N N 137 124.293 120.645 3.648 1
1 845 . 7 1 1 A 104 104 ASP H H 138 9.334 8.951 0.383 1
1 846 . 7 1 1 A 104 104 ASP HA H 138 4.954 5.079 -0.125 1
1 849 . 7 1 1 A 104 104 ASP C C 138 175.340 174.554 0.786 1
1 850 . 7 1 1 A 104 104 ASP CA C 138 53.107 52.889 0.218 1
1 851 . 7 1 1 A 104 104 ASP CB C 138 42.374 44.474 -2.100 1
1 852 . 7 1 1 A 104 104 ASP N N 138 127.542 124.714 2.828 1
1 853 . 7 1 1 A 105 105 GLY H H 139 7.732 8.763 -1.031 1
1 854 . 7 1 1 A 105 105 GLY HA2 H 139 4.360 4.239 0.121 1
1 855 . 7 1 1 A 105 105 GLY HA3 H 139 3.800 4.245 -0.445 1
1 856 . 7 1 1 A 105 105 GLY C C 139 172.374 173.103 -0.729 1
1 857 . 7 1 1 A 105 105 GLY CA C 139 43.800 44.292 -0.492 1
1 858 . 7 1 1 A 105 105 GLY N N 139 106.466 106.185 0.281 1
1 859 . 7 1 1 A 106 106 ALA H H 140 8.191 8.709 -0.518 1
1 860 . 7 1 1 A 106 106 ALA HA H 140 4.564 4.923 -0.359 1
1 864 . 7 1 1 A 106 106 ALA C C 140 177.004 174.893 2.111 1
1 865 . 7 1 1 A 106 106 ALA CA C 140 51.406 51.656 -0.250 1
1 866 . 7 1 1 A 106 106 ALA CB C 140 19.500 23.473 -3.973 1
1 867 . 7 1 1 A 106 106 ALA N N 140 120.674 123.535 -2.861 1
1 868 . 7 1 1 A 107 107 TYR H H 141 8.458 8.693 -0.235 1
1 869 . 7 1 1 A 107 107 TYR HA H 141 4.578 4.942 -0.364 1
1 873 . 7 1 1 A 107 107 TYR C C 141 174.746 173.450 1.296 1
1 874 . 7 1 1 A 107 107 TYR CA C 141 56.554 57.683 -1.129 1
1 875 . 7 1 1 A 107 107 TYR CB C 141 38.649 41.124 -2.475 1
1 878 . 7 1 1 A 107 107 TYR N N 141 121.312 119.209 2.103 1
1 879 . 7 1 1 A 108 108 VAL H H 142 7.941 7.455 0.486 1
1 880 . 7 1 1 A 108 108 VAL HA H 142 4.008 4.186 -0.178 1
1 888 . 7 1 1 A 108 108 VAL C C 142 174.701 174.832 -0.131 1
1 889 . 7 1 1 A 108 108 VAL CA C 142 60.912 60.820 0.092 1
1 890 . 7 1 1 A 108 108 VAL CB C 142 32.065 30.898 1.167 1
1 893 . 7 1 1 A 108 108 VAL N N 142 125.257 122.396 2.861 1
1 9 . 8 1 1 A 2 2 TYR H H 36 7.537 8.221 -0.684 1
1 10 . 8 1 1 A 2 2 TYR HA H 36 3.945 4.558 -0.613 1
1 15 . 8 1 1 A 2 2 TYR C C 36 176.000 174.813 1.187 1
1 16 . 8 1 1 A 2 2 TYR CA C 36 57.871 59.733 -1.862 1
1 17 . 8 1 1 A 2 2 TYR CB C 36 37.248 38.194 -0.946 1
1 18 . 8 1 1 A 2 2 TYR N N 36 117.048 118.469 -1.421 1
1 19 . 8 1 1 A 3 3 GLU H H 37 7.718 8.289 -0.571 1
1 20 . 8 1 1 A 3 3 GLU HA H 37 4.025 4.605 -0.580 1
1 24 . 8 1 1 A 3 3 GLU C C 37 176.100 174.769 1.331 1
1 25 . 8 1 1 A 3 3 GLU CA C 37 56.788 55.571 1.217 1
1 26 . 8 1 1 A 3 3 GLU CB C 37 29.527 31.242 -1.715 1
1 28 . 8 1 1 A 3 3 GLU N N 37 118.925 120.124 -1.199 1
1 29 . 8 1 1 A 4 4 GLU H H 38 7.866 8.492 -0.626 1
1 30 . 8 1 1 A 4 4 GLU HA H 38 4.215 5.077 -0.862 1
1 35 . 8 1 1 A 4 4 GLU C C 38 176.205 176.510 -0.305 1
1 36 . 8 1 1 A 4 4 GLU CA C 38 55.595 54.935 0.660 1
1 37 . 8 1 1 A 4 4 GLU CB C 38 29.162 33.108 -3.946 1
1 38 . 8 1 1 A 4 4 GLU N N 38 116.623 122.198 -5.575 1
1 39 . 8 1 1 A 5 5 PHE H H 39 8.087 8.544 -0.457 1
1 40 . 8 1 1 A 5 5 PHE HA H 39 4.780 4.856 -0.076 1
1 46 . 8 1 1 A 5 5 PHE C C 39 176.758 175.146 1.612 1
1 47 . 8 1 1 A 5 5 PHE CA C 39 54.914 58.663 -3.749 1
1 48 . 8 1 1 A 5 5 PHE CB C 39 36.531 39.898 -3.367 1
1 49 . 8 1 1 A 5 5 PHE N N 39 121.852 122.602 -0.750 1
1 50 . 8 1 1 A 6 6 ARG HA H 40 4.515 4.289 0.226 1
1 51 . 8 1 1 A 6 6 ARG C C 40 176.376 173.417 2.959 1
1 52 . 8 1 1 A 6 6 ARG CA C 40 56.288 56.750 -0.462 1
1 53 . 8 1 1 A 6 6 ARG CB C 40 31.100 30.955 0.145 1
1 54 . 8 1 1 A 7 7 ASP H H 41 8.851 7.829 1.022 1
1 55 . 8 1 1 A 7 7 ASP HA H 41 5.182 5.061 0.121 1
1 57 . 8 1 1 A 7 7 ASP C C 41 175.379 174.268 1.111 1
1 58 . 8 1 1 A 7 7 ASP CA C 41 53.324 52.748 0.576 1
1 59 . 8 1 1 A 7 7 ASP CB C 41 44.292 45.615 -1.323 1
1 60 . 8 1 1 A 7 7 ASP N N 41 119.795 117.394 2.401 1
1 61 . 8 1 1 A 8 8 VAL H H 42 8.580 8.671 -0.091 1
1 62 . 8 1 1 A 8 8 VAL HA H 42 4.856 4.764 0.092 1
1 70 . 8 1 1 A 8 8 VAL C C 42 175.170 175.191 -0.021 1
1 71 . 8 1 1 A 8 8 VAL CA C 42 61.398 61.673 -0.275 1
1 72 . 8 1 1 A 8 8 VAL CB C 42 33.643 32.892 0.751 1
1 75 . 8 1 1 A 8 8 VAL N N 42 120.042 120.290 -0.248 1
1 76 . 8 1 1 A 9 9 ILE H H 43 8.765 9.358 -0.593 1
1 77 . 8 1 1 A 9 9 ILE HA H 43 4.939 4.829 0.110 1
1 79 . 8 1 1 A 9 9 ILE C C 43 173.755 174.483 -0.728 1
1 80 . 8 1 1 A 9 9 ILE CA C 43 58.528 59.219 -0.691 1
1 81 . 8 1 1 A 9 9 ILE CB C 43 40.437 40.602 -0.165 1
1 82 . 8 1 1 A 9 9 ILE N N 43 117.778 128.308 -10.530 1
1 83 . 8 1 1 A 10 10 THR H H 44 7.834 8.000 -0.166 1
1 84 . 8 1 1 A 10 10 THR HA H 44 4.709 4.520 0.189 1
1 87 . 8 1 1 A 10 10 THR C C 44 173.691 173.648 0.043 1
1 88 . 8 1 1 A 10 10 THR CA C 44 61.662 61.660 0.002 1
1 89 . 8 1 1 A 10 10 THR CB C 44 70.906 69.203 1.703 1
1 91 . 8 1 1 A 10 10 THR N N 44 116.613 120.006 -3.393 1
1 92 . 8 1 1 A 11 11 PHE H H 45 8.821 8.635 0.186 1
1 93 . 8 1 1 A 11 11 PHE HA H 45 4.807 5.194 -0.387 1
1 94 . 8 1 1 A 11 11 PHE C C 45 175.619 175.213 0.406 1
1 95 . 8 1 1 A 11 11 PHE CA C 45 57.779 56.020 1.759 1
1 96 . 8 1 1 A 11 11 PHE CB C 45 39.649 40.722 -1.073 1
1 97 . 8 1 1 A 11 11 PHE N N 45 125.155 125.829 -0.674 1
1 98 . 8 1 1 A 12 12 GLN H H 46 9.103 8.531 0.572 1
1 99 . 8 1 1 A 12 12 GLN HA H 46 5.573 5.210 0.363 1
1 103 . 8 1 1 A 12 12 GLN C C 46 175.011 175.181 -0.170 1
1 104 . 8 1 1 A 12 12 GLN CA C 46 54.423 54.301 0.122 1
1 105 . 8 1 1 A 12 12 GLN CB C 46 34.467 32.350 2.117 1
1 106 . 8 1 1 A 12 12 GLN N N 46 119.069 122.083 -3.014 1
1 107 . 8 1 1 A 13 13 SER H H 47 8.730 9.340 -0.610 1
1 108 . 8 1 1 A 13 13 SER HA H 47 5.229 5.685 -0.456 1
1 110 . 8 1 1 A 13 13 SER C C 47 171.559 172.863 -1.304 1
1 111 . 8 1 1 A 13 13 SER CA C 47 56.514 55.981 0.533 1
1 112 . 8 1 1 A 13 13 SER CB C 47 66.075 66.095 -0.020 1
1 113 . 8 1 1 A 13 13 SER N N 47 114.734 114.612 0.122 1
1 114 . 8 1 1 A 14 14 TYR H H 48 8.544 8.919 -0.375 1
1 115 . 8 1 1 A 14 14 TYR HA H 48 4.256 4.589 -0.333 1
1 120 . 8 1 1 A 14 14 TYR C C 48 175.437 174.250 1.187 1
1 121 . 8 1 1 A 14 14 TYR CA C 48 56.137 56.152 -0.015 1
1 122 . 8 1 1 A 14 14 TYR CB C 48 36.242 39.980 -3.738 1
1 125 . 8 1 1 A 14 14 TYR N N 48 126.962 123.677 3.285 1
1 126 . 8 1 1 A 15 15 VAL H H 49 8.537 8.429 0.108 1
1 127 . 8 1 1 A 15 15 VAL HA H 49 4.360 4.776 -0.416 1
1 132 . 8 1 1 A 15 15 VAL C C 49 174.600 173.601 0.999 1
1 133 . 8 1 1 A 15 15 VAL CA C 49 62.600 58.916 3.684 1
1 134 . 8 1 1 A 15 15 VAL CB C 49 35.100 35.482 -0.382 1
1 136 . 8 1 1 A 15 15 VAL N N 49 123.837 121.830 2.007 1
1 137 . 8 1 1 A 16 16 GLU H H 50 8.296 8.560 -0.264 1
1 138 . 8 1 1 A 16 16 GLU HA H 50 3.702 4.986 -1.284 1
1 142 . 8 1 1 A 16 16 GLU C C 50 175.947 175.686 0.261 1
1 143 . 8 1 1 A 16 16 GLU CA C 50 55.400 54.568 0.832 1
1 144 . 8 1 1 A 16 16 GLU CB C 50 30.100 32.566 -2.466 1
1 145 . 8 1 1 A 16 16 GLU N N 50 124.989 121.732 3.257 1
1 146 . 8 1 1 A 17 17 GLN H H 51 8.529 8.073 0.456 1
1 147 . 8 1 1 A 17 17 GLN HA H 51 4.415 4.879 -0.464 1
1 151 . 8 1 1 A 17 17 GLN C C 51 175.122 175.595 -0.473 1
1 152 . 8 1 1 A 17 17 GLN CA C 51 54.060 53.676 0.384 1
1 153 . 8 1 1 A 17 17 GLN CB C 51 29.943 31.889 -1.946 1
1 155 . 8 1 1 A 17 17 GLN N N 51 124.656 122.358 2.298 1
1 156 . 8 1 1 A 18 18 SER HA H 52 4.420 4.411 0.009 1
1 157 . 8 1 1 A 18 18 SER C C 52 173.505 172.932 0.573 1
1 158 . 8 1 1 A 18 18 SER CA C 52 58.279 60.066 -1.787 1
1 159 . 8 1 1 A 18 18 SER CB C 52 63.835 62.929 0.906 1
1 160 . 8 1 1 A 19 19 ASN H H 53 8.109 7.599 0.510 1
1 161 . 8 1 1 A 19 19 ASN HA H 53 4.399 4.988 -0.589 1
1 164 . 8 1 1 A 19 19 ASN C C 53 179.837 174.524 5.313 1
1 165 . 8 1 1 A 19 19 ASN CA C 53 54.664 52.053 2.611 1
1 166 . 8 1 1 A 19 19 ASN CB C 53 39.983 41.834 -1.851 1
1 167 . 8 1 1 A 19 19 ASN N N 53 126.199 117.896 8.303 1
1 168 . 8 1 1 A 20 20 GLY H H 54 8.166 8.577 -0.411 1
1 169 . 8 1 1 A 20 20 GLY HA2 H 54 3.911 3.943 -0.032 1
1 170 . 8 1 1 A 20 20 GLY C C 54 174.876 174.578 0.298 1
1 171 . 8 1 1 A 20 20 GLY CA C 54 45.206 45.873 -0.667 1
1 172 . 8 1 1 A 20 20 GLY N N 54 113.067 109.404 3.663 1
1 173 . 8 1 1 A 22 22 GLY CA C 56 45.279 45.608 -0.329 1
1 174 . 8 1 1 A 23 23 GLY H H 57 8.235 8.412 -0.177 1
1 175 . 8 1 1 A 23 23 GLY HA2 H 57 3.929 3.934 -0.005 1
1 176 . 8 1 1 A 23 23 GLY C C 57 173.796 174.062 -0.266 1
1 177 . 8 1 1 A 23 23 GLY CA C 57 45.348 46.793 -1.445 1
1 178 . 8 1 1 A 23 23 GLY N N 57 108.389 112.179 -3.790 1
1 179 . 8 1 1 A 24 24 LYS HA H 58 4.804 4.866 -0.062 1
1 180 . 8 1 1 A 24 24 LYS C C 58 175.908 174.900 1.008 1
1 181 . 8 1 1 A 24 24 LYS CA C 58 54.833 54.922 -0.089 1
1 182 . 8 1 1 A 24 24 LYS CB C 58 34.402 35.669 -1.267 1
1 183 . 8 1 1 A 25 25 THR H H 59 8.413 8.640 -0.227 1
1 184 . 8 1 1 A 25 25 THR HA H 59 4.482 4.463 0.019 1
1 187 . 8 1 1 A 25 25 THR C C 59 171.934 173.157 -1.223 1
1 188 . 8 1 1 A 25 25 THR CA C 59 60.144 60.554 -0.410 1
1 189 . 8 1 1 A 25 25 THR CB C 59 71.035 72.042 -1.007 1
1 191 . 8 1 1 A 25 25 THR N N 59 115.947 119.791 -3.844 1
1 192 . 8 1 1 A 26 26 TYR H H 60 8.182 7.819 0.363 1
1 193 . 8 1 1 A 26 26 TYR HA H 60 4.883 5.665 -0.782 1
1 198 . 8 1 1 A 26 26 TYR C C 60 173.593 173.399 0.194 1
1 199 . 8 1 1 A 26 26 TYR CA C 60 54.043 54.946 -0.903 1
1 200 . 8 1 1 A 26 26 TYR CB C 60 40.100 41.867 -1.767 1
1 202 . 8 1 1 A 26 26 TYR N N 60 121.985 122.232 -0.247 1
1 203 . 8 1 1 A 27 27 LYS H H 61 8.385 8.122 0.263 1
1 204 . 8 1 1 A 27 27 LYS HA H 61 4.563 4.790 -0.227 1
1 205 . 8 1 1 A 27 27 LYS C C 61 174.186 174.368 -0.182 1
1 206 . 8 1 1 A 27 27 LYS CA C 61 54.589 55.562 -0.973 1
1 207 . 8 1 1 A 27 27 LYS CB C 61 35.801 36.849 -1.048 1
1 208 . 8 1 1 A 27 27 LYS N N 61 120.203 120.237 -0.034 1
1 209 . 8 1 1 A 28 28 TRP H H 62 8.524 8.955 -0.431 1
1 210 . 8 1 1 A 28 28 TRP HA H 62 5.361 5.648 -0.287 1
1 215 . 8 1 1 A 28 28 TRP C C 62 176.934 176.198 0.736 1
1 216 . 8 1 1 A 28 28 TRP CA C 62 56.499 56.385 0.114 1
1 217 . 8 1 1 A 28 28 TRP CB C 62 29.300 30.604 -1.304 1
1 218 . 8 1 1 A 28 28 TRP N N 62 122.913 123.627 -0.714 1
1 220 . 8 1 1 A 29 29 VAL H H 63 9.470 9.145 0.325 1
1 221 . 8 1 1 A 29 29 VAL HA H 63 4.626 4.794 -0.168 1
1 229 . 8 1 1 A 29 29 VAL C C 63 175.264 174.983 0.281 1
1 230 . 8 1 1 A 29 29 VAL CA C 63 59.163 60.056 -0.893 1
1 231 . 8 1 1 A 29 29 VAL CB C 63 34.759 35.416 -0.657 1
1 234 . 8 1 1 A 29 29 VAL N N 63 120.454 123.766 -3.312 1
1 235 . 8 1 1 A 30 30 ASP H H 64 8.576 8.760 -0.184 1
1 236 . 8 1 1 A 30 30 ASP HA H 64 4.386 4.604 -0.218 1
1 237 . 8 1 1 A 30 30 ASP C C 64 174.186 176.001 -1.815 1
1 238 . 8 1 1 A 30 30 ASP CA C 64 55.907 54.834 1.073 1
1 239 . 8 1 1 A 30 30 ASP CB C 64 39.942 41.808 -1.866 1
1 240 . 8 1 1 A 30 30 ASP N N 64 123.588 126.286 -2.698 1
1 241 . 8 1 1 A 31 31 GLU H H 65 9.482 9.537 -0.055 1
1 242 . 8 1 1 A 31 31 GLU HA H 65 4.674 4.473 0.201 1
1 246 . 8 1 1 A 31 31 GLU C C 65 176.000 176.411 -0.411 1
1 247 . 8 1 1 A 31 31 GLU CA C 65 57.263 57.873 -0.610 1
1 248 . 8 1 1 A 31 31 GLU CB C 65 30.200 31.753 -1.553 1
1 250 . 8 1 1 A 31 31 GLU N N 65 124.008 125.598 -1.590 1
1 251 . 8 1 1 A 32 32 PHE H H 66 7.257 7.590 -0.333 1
1 252 . 8 1 1 A 32 32 PHE HA H 66 4.940 5.103 -0.163 1
1 254 . 8 1 1 A 32 32 PHE C C 66 172.742 172.872 -0.130 1
1 255 . 8 1 1 A 32 32 PHE CA C 66 56.316 56.731 -0.415 1
1 256 . 8 1 1 A 32 32 PHE CB C 66 38.948 40.707 -1.759 1
1 257 . 8 1 1 A 32 32 PHE N N 66 110.866 113.324 -2.458 1
1 258 . 8 1 1 A 33 33 THR H H 67 8.603 8.771 -0.168 1
1 259 . 8 1 1 A 33 33 THR HA H 67 5.377 5.101 0.276 1
1 262 . 8 1 1 A 33 33 THR C C 67 173.388 172.287 1.101 1
1 263 . 8 1 1 A 33 33 THR CA C 67 60.207 60.383 -0.176 1
1 264 . 8 1 1 A 33 33 THR CB C 67 71.620 71.437 0.183 1
1 266 . 8 1 1 A 33 33 THR N N 67 114.847 115.094 -0.247 1
1 267 . 8 1 1 A 34 34 ALA H H 68 9.185 8.564 0.621 1
1 268 . 8 1 1 A 34 34 ALA HA H 68 4.873 4.906 -0.033 1
1 272 . 8 1 1 A 34 34 ALA C C 68 174.999 175.917 -0.918 1
1 273 . 8 1 1 A 34 34 ALA CA C 68 50.660 51.481 -0.821 1
1 274 . 8 1 1 A 34 34 ALA CB C 68 23.911 23.659 0.252 1
1 275 . 8 1 1 A 34 34 ALA N N 68 125.817 128.721 -2.904 1
1 276 . 8 1 1 A 35 35 ALA H H 69 8.347 8.564 -0.217 1
1 277 . 8 1 1 A 35 35 ALA HA H 69 4.889 4.992 -0.103 1
1 281 . 8 1 1 A 35 35 ALA C C 69 176.937 176.972 -0.035 1
1 282 . 8 1 1 A 35 35 ALA CA C 69 51.329 51.631 -0.302 1
1 283 . 8 1 1 A 35 35 ALA CB C 69 19.210 19.856 -0.646 1
1 284 . 8 1 1 A 35 35 ALA N N 69 122.342 122.452 -0.110 1
1 285 . 8 1 1 A 36 36 ALA H H 70 8.468 8.852 -0.384 1
1 286 . 8 1 1 A 36 36 ALA HA H 70 4.996 4.801 0.195 1
1 290 . 8 1 1 A 36 36 ALA C C 70 175.102 174.954 0.148 1
1 291 . 8 1 1 A 36 36 ALA CA C 70 50.876 51.237 -0.361 1
1 292 . 8 1 1 A 36 36 ALA CB C 70 23.556 23.560 -0.004 1
1 293 . 8 1 1 A 36 36 ALA N N 70 120.267 125.397 -5.130 1
1 294 . 8 1 1 A 37 37 HIS H H 71 9.136 8.496 0.640 1
1 295 . 8 1 1 A 37 37 HIS HA H 71 5.343 5.319 0.024 1
1 298 . 8 1 1 A 37 37 HIS C C 71 174.002 173.241 0.761 1
1 299 . 8 1 1 A 37 37 HIS CA C 71 54.803 54.493 0.310 1
1 300 . 8 1 1 A 37 37 HIS CB C 71 32.322 31.446 0.876 1
1 301 . 8 1 1 A 37 37 HIS N N 71 119.360 120.231 -0.871 1
1 302 . 8 1 1 A 38 38 VAL H H 72 8.557 8.814 -0.257 1
1 303 . 8 1 1 A 38 38 VAL HA H 72 4.174 4.615 -0.441 1
1 311 . 8 1 1 A 38 38 VAL C C 72 174.000 174.661 -0.661 1
1 312 . 8 1 1 A 38 38 VAL CA C 72 61.587 61.362 0.225 1
1 313 . 8 1 1 A 38 38 VAL CB C 72 31.381 32.634 -1.253 1
1 316 . 8 1 1 A 38 38 VAL N N 72 127.947 127.383 0.564 1
1 317 . 8 1 1 A 39 39 GLN H H 73 8.971 9.133 -0.162 1
1 318 . 8 1 1 A 39 39 GLN HA H 73 5.019 4.955 0.064 1
1 321 . 8 1 1 A 39 39 GLN C C 73 173.260 173.802 -0.542 1
1 322 . 8 1 1 A 39 39 GLN CA C 73 51.310 52.966 -1.656 1
1 323 . 8 1 1 A 39 39 GLN CB C 73 30.955 32.142 -1.187 1
1 324 . 8 1 1 A 39 39 GLN N N 73 127.985 123.811 4.174 1
1 325 . 8 1 1 A 40 40 PRO HA H 74 4.707 4.321 0.386 1
1 329 . 8 1 1 A 40 40 PRO C C 74 3.820 176.360 -172.540 1
1 330 . 8 1 1 A 40 40 PRO CA C 74 176.828 62.332 114.496 1
1 331 . 8 1 1 A 40 40 PRO CB C 74 62.215 32.206 30.009 1
1 333 . 8 1 1 A 40 40 PRO N N 74 50.800 135.620 -84.820 1
1 334 . 8 1 1 A 41 41 ILE H H 75 8.105 7.885 0.220 1
1 335 . 8 1 1 A 41 41 ILE HA H 75 4.074 4.163 -0.089 1
1 338 . 8 1 1 A 41 41 ILE C C 75 175.881 177.513 -1.632 1
1 339 . 8 1 1 A 41 41 ILE CA C 75 61.399 61.539 -0.140 1
1 340 . 8 1 1 A 41 41 ILE CB C 75 38.214 39.430 -1.216 1
1 342 . 8 1 1 A 41 41 ILE N N 75 122.818 122.251 0.567 1
1 343 . 8 1 1 A 43 43 GLN HA H 77 4.267 4.542 -0.275 1
1 344 . 8 1 1 A 43 43 GLN C C 77 176.255 176.989 -0.734 1
1 345 . 8 1 1 A 43 43 GLN CA C 77 56.500 54.764 1.736 1
1 346 . 8 1 1 A 43 43 GLN CB C 77 29.100 28.802 0.298 1
1 347 . 8 1 1 A 44 44 GLU H H 78 8.458 8.152 0.306 1
1 348 . 8 1 1 A 44 44 GLU HA H 78 4.184 4.076 0.108 1
1 351 . 8 1 1 A 44 44 GLU C C 78 177.000 176.825 0.175 1
1 352 . 8 1 1 A 44 44 GLU CA C 78 57.400 58.286 -0.886 1
1 353 . 8 1 1 A 44 44 GLU CB C 78 29.148 27.890 1.258 1
1 355 . 8 1 1 A 44 44 GLU N N 78 120.627 120.452 0.175 1
1 356 . 8 1 1 A 45 45 GLU H H 79 8.283 7.762 0.521 1
1 357 . 8 1 1 A 45 45 GLU HA H 79 4.121 4.252 -0.131 1
1 360 . 8 1 1 A 45 45 GLU C C 79 176.972 177.352 -0.380 1
1 361 . 8 1 1 A 45 45 GLU CA C 79 57.106 57.324 -0.218 1
1 362 . 8 1 1 A 45 45 GLU CB C 79 29.680 32.260 -2.580 1
1 364 . 8 1 1 A 45 45 GLU N N 79 119.997 118.739 1.258 1
1 365 . 8 1 1 A 46 46 TYR H H 80 7.961 7.435 0.526 1
1 366 . 8 1 1 A 46 46 TYR HA H 80 4.369 4.261 0.108 1
1 369 . 8 1 1 A 46 46 TYR C C 80 176.086 175.305 0.781 1
1 370 . 8 1 1 A 46 46 TYR CA C 80 58.284 60.129 -1.845 1
1 371 . 8 1 1 A 46 46 TYR CB C 80 38.214 38.680 -0.466 1
1 372 . 8 1 1 A 46 46 TYR N N 80 119.582 116.964 2.618 1
1 373 . 8 1 1 A 47 47 TYR H H 81 7.918 7.982 -0.064 1
1 374 . 8 1 1 A 47 47 TYR HA H 81 4.399 4.195 0.204 1
1 378 . 8 1 1 A 47 47 TYR C C 81 176.566 173.818 2.748 1
1 379 . 8 1 1 A 47 47 TYR CA C 81 58.479 59.124 -0.645 1
1 380 . 8 1 1 A 47 47 TYR CB C 81 38.042 35.393 2.649 1
1 381 . 8 1 1 A 47 47 TYR N N 81 119.336 116.171 3.165 1
1 382 . 8 1 1 A 48 48 LYS HA H 82 4.090 4.873 -0.783 1
1 383 . 8 1 1 A 48 48 LYS C C 82 176.894 176.329 0.565 1
1 384 . 8 1 1 A 48 48 LYS CA C 82 56.786 54.257 2.529 1
1 385 . 8 1 1 A 48 48 LYS CB C 82 32.306 35.402 -3.096 1
1 386 . 8 1 1 A 49 49 ALA H H 83 7.999 8.575 -0.576 1
1 387 . 8 1 1 A 49 49 ALA HA H 83 4.178 4.629 -0.451 1
1 391 . 8 1 1 A 49 49 ALA C C 83 178.193 177.891 0.302 1
1 392 . 8 1 1 A 49 49 ALA CA C 83 52.825 51.869 0.956 1
1 393 . 8 1 1 A 49 49 ALA CB C 83 18.200 19.320 -1.120 1
1 394 . 8 1 1 A 49 49 ALA N N 83 122.394 127.325 -4.931 1
1 395 . 8 1 1 A 50 50 GLN H H 84 8.006 7.664 0.342 1
1 396 . 8 1 1 A 50 50 GLN HA H 84 4.167 4.202 -0.035 1
1 400 . 8 1 1 A 50 50 GLN C C 84 176.200 176.772 -0.572 1
1 401 . 8 1 1 A 50 50 GLN CA C 84 56.016 55.281 0.735 1
1 402 . 8 1 1 A 50 50 GLN CB C 84 28.467 27.491 0.976 1
1 404 . 8 1 1 A 50 50 GLN N N 84 116.623 116.649 -0.026 1
1 405 . 8 1 1 A 51 51 GLN H H 85 8.085 8.425 -0.340 1
1 406 . 8 1 1 A 51 51 GLN HA H 85 4.223 4.216 0.007 1
1 410 . 8 1 1 A 51 51 GLN CA C 85 56.393 57.821 -1.428 1
1 411 . 8 1 1 A 51 51 GLN CB C 85 28.600 28.480 0.120 1
1 413 . 8 1 1 A 51 51 GLN N N 85 118.681 117.547 1.134 1
1 414 . 8 1 1 A 53 53 GLN HA H 87 4.268 5.029 -0.761 1
1 415 . 8 1 1 A 53 53 GLN C C 87 175.517 174.456 1.061 1
1 416 . 8 1 1 A 53 53 GLN CA C 87 55.821 54.093 1.728 1
1 417 . 8 1 1 A 53 53 GLN CB C 87 28.296 32.080 -3.784 1
1 418 . 8 1 1 A 54 54 THR H H 88 7.950 8.836 -0.886 1
1 419 . 8 1 1 A 54 54 THR HA H 88 4.540 5.091 -0.551 1
1 422 . 8 1 1 A 54 54 THR C C 88 172.445 172.083 0.362 1
1 423 . 8 1 1 A 54 54 THR CA C 88 59.184 58.272 0.912 1
1 424 . 8 1 1 A 54 54 THR CB C 88 69.534 70.718 -1.184 1
1 426 . 8 1 1 A 54 54 THR N N 88 116.337 112.694 3.643 1
1 427 . 8 1 1 A 55 55 PRO HA H 89 4.410 4.537 -0.127 1
1 431 . 8 1 1 A 55 55 PRO C C 89 3.600 176.746 -173.146 1
1 432 . 8 1 1 A 55 55 PRO CA C 89 176.508 62.141 114.367 1
1 433 . 8 1 1 A 55 55 PRO CB C 89 62.325 32.426 29.899 1
1 436 . 8 1 1 A 55 55 PRO N N 89 50.400 136.824 -86.424 1
1 437 . 8 1 1 A 56 56 ILE H H 90 8.247 8.409 -0.162 1
1 438 . 8 1 1 A 56 56 ILE HA H 90 3.993 3.954 0.039 1
1 443 . 8 1 1 A 56 56 ILE C C 90 175.132 175.430 -0.298 1
1 444 . 8 1 1 A 56 56 ILE CA C 90 60.718 62.733 -2.015 1
1 445 . 8 1 1 A 56 56 ILE CB C 90 38.277 37.704 0.573 1
1 447 . 8 1 1 A 56 56 ILE N N 90 121.921 123.059 -1.138 1
1 448 . 8 1 1 A 57 57 GLY H H 91 7.820 8.364 -0.544 1
1 449 . 8 1 1 A 57 57 GLY HA2 H 91 4.550 4.239 0.311 1
1 450 . 8 1 1 A 57 57 GLY HA3 H 91 3.640 4.261 -0.621 1
1 451 . 8 1 1 A 57 57 GLY C C 91 172.184 171.582 0.602 1
1 452 . 8 1 1 A 57 57 GLY CA C 91 43.575 45.530 -1.955 1
1 453 . 8 1 1 A 57 57 GLY N N 91 110.987 115.330 -4.343 1
1 454 . 8 1 1 A 58 58 TYR H H 92 8.593 8.592 0.001 1
1 455 . 8 1 1 A 58 58 TYR HA H 92 5.166 5.184 -0.018 1
1 460 . 8 1 1 A 58 58 TYR C C 92 175.122 174.638 0.484 1
1 461 . 8 1 1 A 58 58 TYR CA C 92 56.544 57.271 -0.727 1
1 462 . 8 1 1 A 58 58 TYR CB C 92 43.819 41.943 1.876 1
1 465 . 8 1 1 A 58 58 TYR N N 92 116.307 120.725 -4.418 1
1 466 . 8 1 1 A 59 59 ASN H H 93 8.964 9.290 -0.326 1
1 467 . 8 1 1 A 59 59 ASN HA H 93 5.116 5.636 -0.520 1
1 470 . 8 1 1 A 59 59 ASN C C 93 173.457 174.162 -0.705 1
1 471 . 8 1 1 A 59 59 ASN CA C 93 52.717 52.230 0.487 1
1 472 . 8 1 1 A 59 59 ASN CB C 93 40.420 41.137 -0.717 1
1 473 . 8 1 1 A 59 59 ASN N N 93 119.232 121.345 -2.113 1
1 474 . 8 1 1 A 60 60 ILE H H 94 9.013 8.579 0.434 1
1 475 . 8 1 1 A 60 60 ILE HA H 94 4.383 4.974 -0.591 1
1 476 . 8 1 1 A 60 60 ILE C C 94 173.370 173.286 0.084 1
1 477 . 8 1 1 A 60 60 ILE CA C 94 60.231 60.158 0.073 1
1 478 . 8 1 1 A 60 60 ILE CB C 94 38.728 41.676 -2.948 1
1 479 . 8 1 1 A 60 60 ILE N N 94 123.021 124.317 -1.296 1
1 480 . 8 1 1 A 61 61 TYR H H 95 8.867 8.627 0.240 1
1 481 . 8 1 1 A 61 61 TYR HA H 95 5.279 5.912 -0.633 1
1 486 . 8 1 1 A 61 61 TYR C C 95 174.262 174.044 0.218 1
1 487 . 8 1 1 A 61 61 TYR CA C 95 55.732 55.163 0.569 1
1 488 . 8 1 1 A 61 61 TYR CB C 95 39.723 42.388 -2.665 1
1 491 . 8 1 1 A 61 61 TYR N N 95 125.343 124.971 0.372 1
1 492 . 8 1 1 A 62 62 THR H H 96 8.998 9.074 -0.076 1
1 493 . 8 1 1 A 62 62 THR HA H 96 4.889 4.780 0.109 1
1 496 . 8 1 1 A 62 62 THR C C 96 172.708 172.257 0.451 1
1 497 . 8 1 1 A 62 62 THR CA C 96 58.248 59.275 -1.027 1
1 498 . 8 1 1 A 62 62 THR CB C 96 73.097 71.667 1.430 1
1 500 . 8 1 1 A 62 62 THR N N 96 119.223 115.689 3.534 1
1 501 . 8 1 1 A 63 63 PRO HA H 97 4.410 4.798 -0.388 1
1 503 . 8 1 1 A 63 63 PRO C C 97 3.190 177.667 -174.477 1
1 504 . 8 1 1 A 63 63 PRO CA C 97 175.250 63.125 112.125 1
1 505 . 8 1 1 A 63 63 PRO CB C 97 63.642 31.907 31.735 1
1 507 . 8 1 1 A 63 63 PRO N N 97 51.700 137.964 -86.264 1
1 508 . 8 1 1 A 64 64 TYR H H 98 7.826 9.076 -1.250 1
1 509 . 8 1 1 A 64 64 TYR HA H 98 4.265 4.053 0.212 1
1 514 . 8 1 1 A 64 64 TYR C C 98 175.150 174.205 0.945 1
1 515 . 8 1 1 A 64 64 TYR CA C 98 59.434 59.221 0.213 1
1 516 . 8 1 1 A 64 64 TYR CB C 98 37.240 37.072 0.168 1
1 518 . 8 1 1 A 64 64 TYR N N 98 122.118 122.872 -0.754 1
1 519 . 8 1 1 A 65 65 ASP H H 99 5.931 7.835 -1.904 1
1 520 . 8 1 1 A 65 65 ASP HA H 99 4.255 4.797 -0.542 1
1 523 . 8 1 1 A 65 65 ASP C C 99 176.079 175.271 0.808 1
1 524 . 8 1 1 A 65 65 ASP CA C 99 52.885 53.743 -0.858 1
1 525 . 8 1 1 A 65 65 ASP CB C 99 43.486 42.172 1.314 1
1 526 . 8 1 1 A 65 65 ASP N N 99 125.409 119.839 5.570 1
1 527 . 8 1 1 A 66 66 ASP H H 100 8.703 8.753 -0.050 1
1 528 . 8 1 1 A 66 66 ASP HA H 100 4.058 4.872 -0.814 1
1 531 . 8 1 1 A 66 66 ASP C C 100 176.300 176.248 0.052 1
1 532 . 8 1 1 A 66 66 ASP CA C 100 55.332 53.577 1.755 1
1 533 . 8 1 1 A 66 66 ASP CB C 100 40.206 41.340 -1.134 1
1 534 . 8 1 1 A 66 66 ASP N N 100 128.295 125.151 3.144 1
1 535 . 8 1 1 A 67 67 ARG H H 101 8.832 7.672 1.160 1
1 536 . 8 1 1 A 67 67 ARG HA H 101 3.944 4.252 -0.308 1
1 538 . 8 1 1 A 67 67 ARG C C 101 177.624 177.946 -0.322 1
1 539 . 8 1 1 A 67 67 ARG CA C 101 56.509 57.477 -0.968 1
1 540 . 8 1 1 A 67 67 ARG CB C 101 31.162 30.772 0.390 1
1 541 . 8 1 1 A 67 67 ARG N N 101 117.507 118.961 -1.454 1
1 542 . 8 1 1 A 68 68 ILE H H 102 7.004 7.822 -0.818 1
1 543 . 8 1 1 A 68 68 ILE HA H 102 3.507 3.927 -0.420 1
1 548 . 8 1 1 A 68 68 ILE C C 102 174.835 175.981 -1.146 1
1 549 . 8 1 1 A 68 68 ILE CA C 102 63.638 64.376 -0.738 1
1 550 . 8 1 1 A 68 68 ILE CB C 102 36.617 37.554 -0.937 1
1 552 . 8 1 1 A 68 68 ILE N N 102 116.003 117.695 -1.692 1
1 553 . 8 1 1 A 69 69 ASP H H 103 8.026 7.646 0.380 1
1 554 . 8 1 1 A 69 69 ASP HA H 103 4.954 4.931 0.023 1
1 557 . 8 1 1 A 69 69 ASP C C 103 175.574 174.322 1.252 1
1 558 . 8 1 1 A 69 69 ASP CA C 103 52.485 52.726 -0.241 1
1 559 . 8 1 1 A 69 69 ASP CB C 103 45.984 42.188 3.796 1
1 560 . 8 1 1 A 69 69 ASP N N 103 129.672 120.201 9.471 1
1 561 . 8 1 1 A 70 70 LYS H H 104 8.505 8.797 -0.292 1
1 562 . 8 1 1 A 70 70 LYS C C 104 175.300 175.595 -0.295 1
1 563 . 8 1 1 A 70 70 LYS CA C 104 58.027 55.540 2.487 1
1 564 . 8 1 1 A 70 70 LYS CB C 104 31.376 32.543 -1.167 1
1 565 . 8 1 1 A 70 70 LYS N N 104 119.646 123.378 -3.732 1
1 566 . 8 1 1 A 71 71 LYS H H 105 8.653 8.131 0.522 1
1 567 . 8 1 1 A 71 71 LYS HA H 105 4.513 4.012 0.501 1
1 571 . 8 1 1 A 71 71 LYS C C 105 178.190 175.065 3.125 1
1 572 . 8 1 1 A 71 71 LYS CA C 105 56.415 57.150 -0.735 1
1 573 . 8 1 1 A 71 71 LYS CB C 105 30.942 29.806 1.136 1
1 575 . 8 1 1 A 71 71 LYS N N 105 118.554 114.581 3.973 1
1 576 . 8 1 1 A 72 72 MET H H 106 7.596 7.372 0.224 1
1 577 . 8 1 1 A 72 72 MET HA H 106 5.019 5.631 -0.612 1
1 578 . 8 1 1 A 72 72 MET C C 106 172.309 174.912 -2.603 1
1 579 . 8 1 1 A 72 72 MET CA C 106 56.500 54.380 2.120 1
1 580 . 8 1 1 A 72 72 MET CB C 106 34.892 38.131 -3.239 1
1 581 . 8 1 1 A 72 72 MET N N 106 119.949 116.687 3.262 1
1 582 . 8 1 1 A 73 73 ARG H H 107 8.266 8.850 -0.584 1
1 583 . 8 1 1 A 73 73 ARG HA H 107 4.075 5.097 -1.022 1
1 585 . 8 1 1 A 73 73 ARG C C 107 172.995 174.627 -1.632 1
1 586 . 8 1 1 A 73 73 ARG CA C 107 53.348 54.368 -1.020 1
1 587 . 8 1 1 A 73 73 ARG CB C 107 31.579 32.694 -1.115 1
1 588 . 8 1 1 A 73 73 ARG N N 107 112.423 123.210 -10.787 1
1 589 . 8 1 1 A 74 74 VAL H H 108 8.371 8.512 -0.141 1
1 590 . 8 1 1 A 74 74 VAL HA H 108 4.954 4.839 0.115 1
1 598 . 8 1 1 A 74 74 VAL C C 108 173.137 174.329 -1.192 1
1 599 . 8 1 1 A 74 74 VAL CA C 108 58.400 58.924 -0.524 1
1 600 . 8 1 1 A 74 74 VAL CB C 108 35.700 35.568 0.132 1
1 603 . 8 1 1 A 74 74 VAL N N 108 117.751 120.234 -2.483 1
1 604 . 8 1 1 A 75 75 ILE H H 109 8.644 8.498 0.146 1
1 605 . 8 1 1 A 75 75 ILE HA H 109 4.772 4.802 -0.030 1
1 610 . 8 1 1 A 75 75 ILE C C 109 176.377 173.626 2.751 1
1 611 . 8 1 1 A 75 75 ILE CA C 109 57.500 60.229 -2.729 1
1 612 . 8 1 1 A 75 75 ILE CB C 109 35.550 39.273 -3.723 1
1 614 . 8 1 1 A 75 75 ILE N N 109 122.741 122.965 -0.224 1
1 615 . 8 1 1 A 76 76 TYR H H 110 8.928 8.535 0.393 1
1 616 . 8 1 1 A 76 76 TYR HA H 110 4.873 4.709 0.164 1
1 621 . 8 1 1 A 76 76 TYR C C 110 173.400 175.285 -1.885 1
1 622 . 8 1 1 A 76 76 TYR CA C 110 54.699 57.275 -2.576 1
1 623 . 8 1 1 A 76 76 TYR CB C 110 40.392 40.814 -0.422 1
1 626 . 8 1 1 A 76 76 TYR N N 110 129.091 128.256 0.835 1
1 627 . 8 1 1 A 77 77 ARG H H 111 9.206 9.081 0.125 1
1 628 . 8 1 1 A 77 77 ARG HA H 111 3.537 3.781 -0.244 1
1 633 . 8 1 1 A 77 77 ARG C C 111 176.065 175.151 0.914 1
1 634 . 8 1 1 A 77 77 ARG CA C 111 56.490 56.744 -0.254 1
1 635 . 8 1 1 A 77 77 ARG CB C 111 27.448 28.666 -1.218 1
1 636 . 8 1 1 A 77 77 ARG N N 111 126.774 126.978 -0.204 1
1 637 . 8 1 1 A 78 78 GLY H H 112 8.155 8.419 -0.264 1
1 638 . 8 1 1 A 78 78 GLY HA2 H 112 4.040 3.735 0.305 1
1 639 . 8 1 1 A 78 78 GLY HA3 H 112 3.540 3.735 -0.195 1
1 640 . 8 1 1 A 78 78 GLY C C 112 173.810 173.487 0.323 1
1 641 . 8 1 1 A 78 78 GLY CA C 112 45.284 45.275 0.009 1
1 642 . 8 1 1 A 78 78 GLY N N 112 102.172 104.801 -2.629 1
1 643 . 8 1 1 A 79 79 LYS HA H 113 3.910 4.551 -0.641 1
1 644 . 8 1 1 A 79 79 LYS C C 113 174.750 174.972 -0.222 1
1 645 . 8 1 1 A 79 79 LYS CA C 113 53.808 54.812 -1.004 1
1 646 . 8 1 1 A 79 79 LYS CB C 113 33.298 34.596 -1.298 1
1 647 . 8 1 1 A 80 80 ILE H H 114 8.484 8.863 -0.379 1
1 648 . 8 1 1 A 80 80 ILE HA H 114 3.860 4.722 -0.862 1
1 653 . 8 1 1 A 80 80 ILE C C 114 174.732 175.322 -0.590 1
1 654 . 8 1 1 A 80 80 ILE CA C 114 61.130 59.740 1.390 1
1 655 . 8 1 1 A 80 80 ILE CB C 114 37.740 38.196 -0.456 1
1 657 . 8 1 1 A 80 80 ILE N N 114 121.186 128.151 -6.965 1
1 658 . 8 1 1 A 81 81 VAL H H 115 9.395 8.543 0.852 1
1 659 . 8 1 1 A 81 81 VAL HA H 115 4.645 4.885 -0.240 1
1 664 . 8 1 1 A 81 81 VAL C C 115 174.934 173.192 1.742 1
1 665 . 8 1 1 A 81 81 VAL CA C 115 60.401 59.078 1.323 1
1 666 . 8 1 1 A 81 81 VAL CB C 115 32.142 35.251 -3.109 1
1 668 . 8 1 1 A 81 81 VAL N N 115 129.212 121.207 8.005 1
1 669 . 8 1 1 A 82 82 THR H H 116 8.661 8.564 0.097 1
1 670 . 8 1 1 A 82 82 THR HA H 116 4.483 5.162 -0.679 1
1 673 . 8 1 1 A 82 82 THR C C 116 175.000 172.566 2.434 1
1 674 . 8 1 1 A 82 82 THR CA C 116 59.911 59.512 0.399 1
1 675 . 8 1 1 A 82 82 THR CB C 116 69.844 71.463 -1.619 1
1 677 . 8 1 1 A 82 82 THR N N 116 120.129 117.185 2.944 1
1 678 . 8 1 1 A 83 83 PHE H H 117 9.153 8.853 0.300 1
1 679 . 8 1 1 A 83 83 PHE HA H 117 5.003 5.207 -0.204 1
1 681 . 8 1 1 A 83 83 PHE C C 117 177.126 172.254 4.872 1
1 682 . 8 1 1 A 83 83 PHE CA C 117 55.003 56.427 -1.424 1
1 683 . 8 1 1 A 83 83 PHE CB C 117 37.018 40.631 -3.613 1
1 684 . 8 1 1 A 83 83 PHE N N 117 123.251 121.046 2.205 1
1 685 . 8 1 1 A 84 84 ILE H H 118 8.882 8.896 -0.014 1
1 686 . 8 1 1 A 84 84 ILE HA H 118 4.320 4.948 -0.628 1
1 695 . 8 1 1 A 84 84 ILE C C 118 175.958 173.980 1.978 1
1 696 . 8 1 1 A 84 84 ILE CA C 118 60.275 59.803 0.472 1
1 697 . 8 1 1 A 84 84 ILE CB C 118 37.057 41.834 -4.777 1
1 700 . 8 1 1 A 84 84 ILE N N 118 122.450 121.385 1.065 1
1 701 . 8 1 1 A 85 85 GLY H H 119 8.198 8.753 -0.555 1
1 702 . 8 1 1 A 85 85 GLY HA2 H 119 4.050 4.242 -0.192 1
1 703 . 8 1 1 A 85 85 GLY HA3 H 119 3.900 4.315 -0.415 1
1 704 . 8 1 1 A 85 85 GLY C C 119 172.376 172.813 -0.437 1
1 705 . 8 1 1 A 85 85 GLY CA C 119 44.033 44.696 -0.663 1
1 706 . 8 1 1 A 85 85 GLY N N 119 112.995 115.220 -2.225 1
1 707 . 8 1 1 A 86 86 ASP H H 120 8.132 8.821 -0.689 1
1 708 . 8 1 1 A 86 86 ASP HA H 120 4.938 5.287 -0.349 1
1 711 . 8 1 1 A 86 86 ASP C C 120 175.418 174.091 1.327 1
1 712 . 8 1 1 A 86 86 ASP CA C 120 52.656 51.648 1.008 1
1 713 . 8 1 1 A 86 86 ASP CB C 120 40.163 40.977 -0.814 1
1 714 . 8 1 1 A 86 86 ASP N N 120 119.130 117.875 1.255 1
1 715 . 8 1 1 A 87 87 PRO HA H 121 4.470 4.741 -0.271 1
1 719 . 8 1 1 A 87 87 PRO CA C 121 175.750 62.278 113.472 1
1 720 . 8 1 1 A 87 87 PRO CB C 121 62.414 31.799 30.615 1
1 723 . 8 1 1 A 87 87 PRO N N 121 49.700 140.770 -91.070 1
1 724 . 8 1 1 A 88 88 VAL H H 122 8.707 8.574 0.133 1
1 725 . 8 1 1 A 88 88 VAL HA H 122 4.400 4.595 -0.195 1
1 733 . 8 1 1 A 88 88 VAL C C 122 174.250 175.107 -0.857 1
1 734 . 8 1 1 A 88 88 VAL CA C 122 60.598 59.746 0.852 1
1 735 . 8 1 1 A 88 88 VAL CB C 122 34.847 34.331 0.516 1
1 738 . 8 1 1 A 88 88 VAL N N 122 121.987 122.584 -0.597 1
1 739 . 8 1 1 A 89 89 ASP H H 123 8.437 8.562 -0.125 1
1 740 . 8 1 1 A 89 89 ASP HA H 123 5.068 4.937 0.131 1
1 743 . 8 1 1 A 89 89 ASP C C 123 177.435 176.655 0.780 1
1 744 . 8 1 1 A 89 89 ASP CA C 123 52.751 52.889 -0.138 1
1 745 . 8 1 1 A 89 89 ASP CB C 123 40.191 42.144 -1.953 1
1 746 . 8 1 1 A 89 89 ASP N N 123 125.856 127.414 -1.558 1
1 747 . 8 1 1 A 90 90 LEU H H 124 8.793 9.169 -0.376 1
1 748 . 8 1 1 A 90 90 LEU HA H 124 4.047 4.375 -0.328 1
1 749 . 8 1 1 A 90 90 LEU CA C 124 56.836 56.582 0.254 1
1 750 . 8 1 1 A 90 90 LEU CB C 124 41.301 43.350 -2.049 1
1 751 . 8 1 1 A 90 90 LEU N N 124 128.178 123.270 4.908 1
1 752 . 8 1 1 A 91 91 SER H H 125 8.927 8.026 0.901 1
1 753 . 8 1 1 A 91 91 SER HA H 125 4.287 4.572 -0.285 1
1 754 . 8 1 1 A 91 91 SER C C 125 173.984 174.320 -0.336 1
1 755 . 8 1 1 A 91 91 SER CA C 125 58.498 57.499 0.999 1
1 756 . 8 1 1 A 91 91 SER CB C 125 63.600 64.032 -0.432 1
1 757 . 8 1 1 A 91 91 SER N N 125 115.226 109.122 6.104 1
1 758 . 8 1 1 A 92 92 GLY H H 126 8.250 8.277 -0.027 1
1 759 . 8 1 1 A 92 92 GLY HA2 H 126 3.950 4.121 -0.171 1
1 760 . 8 1 1 A 92 92 GLY HA3 H 126 3.670 4.177 -0.507 1
1 761 . 8 1 1 A 92 92 GLY C C 126 174.700 174.374 0.326 1
1 762 . 8 1 1 A 92 92 GLY CA C 126 45.900 45.827 0.073 1
1 763 . 8 1 1 A 92 92 GLY N N 126 109.395 108.200 1.195 1
1 764 . 8 1 1 A 94 94 GLN C C 128 174.459 175.113 -0.654 1
1 765 . 8 1 1 A 94 94 GLN CA C 128 56.434 54.695 1.739 1
1 766 . 8 1 1 A 94 94 GLN CB C 128 25.491 29.115 -3.624 1
1 767 . 8 1 1 A 95 95 GLU H H 129 8.474 8.584 -0.110 1
1 768 . 8 1 1 A 95 95 GLU HA H 129 4.596 4.426 0.170 1
1 772 . 8 1 1 A 95 95 GLU C C 129 177.559 174.867 2.692 1
1 773 . 8 1 1 A 95 95 GLU CA C 129 57.183 56.288 0.895 1
1 774 . 8 1 1 A 95 95 GLU CB C 129 31.432 27.950 3.482 1
1 775 . 8 1 1 A 95 95 GLU N N 129 115.145 125.843 -10.698 1
1 776 . 8 1 1 A 96 96 ILE H H 130 9.393 7.845 1.548 1
1 777 . 8 1 1 A 96 96 ILE HA H 130 4.660 4.761 -0.101 1
1 782 . 8 1 1 A 96 96 ILE C C 130 173.821 175.272 -1.451 1
1 783 . 8 1 1 A 96 96 ILE CA C 130 59.481 60.343 -0.862 1
1 784 . 8 1 1 A 96 96 ILE CB C 130 41.386 40.250 1.136 1
1 785 . 8 1 1 A 96 96 ILE N N 130 124.603 123.968 0.635 1
1 786 . 8 1 1 A 97 97 THR H H 131 9.341 9.059 0.282 1
1 787 . 8 1 1 A 97 97 THR HA H 131 5.135 5.459 -0.324 1
1 790 . 8 1 1 A 97 97 THR C C 131 172.742 172.983 -0.241 1
1 791 . 8 1 1 A 97 97 THR CA C 131 62.458 60.573 1.885 1
1 792 . 8 1 1 A 97 97 THR CB C 131 69.995 70.658 -0.663 1
1 794 . 8 1 1 A 97 97 THR N N 131 125.280 119.635 5.645 1
1 795 . 8 1 1 A 98 98 ARG H H 132 9.286 9.573 -0.287 1
1 796 . 8 1 1 A 98 98 ARG HA H 132 5.263 5.179 0.084 1
1 802 . 8 1 1 A 98 98 ARG C C 132 175.462 173.522 1.940 1
1 803 . 8 1 1 A 98 98 ARG CA C 132 53.122 54.362 -1.240 1
1 804 . 8 1 1 A 98 98 ARG CB C 132 32.555 34.127 -1.572 1
1 805 . 8 1 1 A 98 98 ARG N N 132 126.525 124.866 1.659 1
1 806 . 8 1 1 A 99 99 ILE H H 133 9.338 9.610 -0.272 1
1 807 . 8 1 1 A 99 99 ILE HA H 133 3.959 4.961 -1.002 1
1 816 . 8 1 1 A 99 99 ILE C C 133 173.860 174.039 -0.179 1
1 817 . 8 1 1 A 99 99 ILE CA C 133 59.719 59.727 -0.008 1
1 818 . 8 1 1 A 99 99 ILE CB C 133 41.429 41.272 0.157 1
1 821 . 8 1 1 A 99 99 ILE N N 133 129.483 126.247 3.236 1
1 822 . 8 1 1 A 100 100 LYS H H 134 8.457 8.896 -0.439 1
1 823 . 8 1 1 A 100 100 LYS HA H 134 4.990 5.275 -0.285 1
1 824 . 8 1 1 A 100 100 LYS C C 134 175.750 175.575 0.175 1
1 825 . 8 1 1 A 100 100 LYS CA C 134 54.548 54.611 -0.063 1
1 826 . 8 1 1 A 100 100 LYS CB C 134 32.800 35.348 -2.548 1
1 827 . 8 1 1 A 100 100 LYS N N 134 128.506 129.065 -0.559 1
1 828 . 8 1 1 A 101 101 GLY H H 135 8.968 8.439 0.529 1
1 829 . 8 1 1 A 101 101 GLY HA2 H 135 5.350 4.497 0.853 1
1 830 . 8 1 1 A 101 101 GLY HA3 H 135 3.290 4.519 -1.229 1
1 831 . 8 1 1 A 101 101 GLY C C 135 171.558 172.542 -0.984 1
1 832 . 8 1 1 A 101 101 GLY CA C 135 44.286 44.792 -0.506 1
1 833 . 8 1 1 A 101 101 GLY N N 135 110.167 111.425 -1.258 1
1 834 . 8 1 1 A 102 102 LYS H H 136 9.158 8.968 0.190 1
1 835 . 8 1 1 A 102 102 LYS C C 136 174.516 174.986 -0.470 1
1 836 . 8 1 1 A 102 102 LYS CA C 136 53.781 54.620 -0.839 1
1 837 . 8 1 1 A 102 102 LYS CB C 136 34.807 35.848 -1.041 1
1 838 . 8 1 1 A 102 102 LYS N N 136 119.838 119.030 0.808 1
1 839 . 8 1 1 A 103 103 GLU H H 137 8.711 9.387 -0.676 1
1 840 . 8 1 1 A 103 103 GLU HA H 137 4.709 5.045 -0.336 1
1 841 . 8 1 1 A 103 103 GLU C C 137 176.875 174.404 2.471 1
1 842 . 8 1 1 A 103 103 GLU CA C 137 56.833 55.011 1.822 1
1 843 . 8 1 1 A 103 103 GLU CB C 137 30.640 31.854 -1.214 1
1 844 . 8 1 1 A 103 103 GLU N N 137 124.293 122.243 2.050 1
1 845 . 8 1 1 A 104 104 ASP H H 138 9.334 8.696 0.638 1
1 846 . 8 1 1 A 104 104 ASP HA H 138 4.954 4.956 -0.002 1
1 849 . 8 1 1 A 104 104 ASP C C 138 175.340 176.299 -0.959 1
1 850 . 8 1 1 A 104 104 ASP CA C 138 53.107 53.063 0.044 1
1 851 . 8 1 1 A 104 104 ASP CB C 138 42.374 42.894 -0.520 1
1 852 . 8 1 1 A 104 104 ASP N N 138 127.542 124.825 2.717 1
1 853 . 8 1 1 A 105 105 GLY H H 139 7.732 9.031 -1.299 1
1 854 . 8 1 1 A 105 105 GLY HA2 H 139 4.360 3.864 0.496 1
1 855 . 8 1 1 A 105 105 GLY HA3 H 139 3.800 3.868 -0.068 1
1 856 . 8 1 1 A 105 105 GLY C C 139 172.374 174.704 -2.330 1
1 857 . 8 1 1 A 105 105 GLY CA C 139 43.800 47.320 -3.520 1
1 858 . 8 1 1 A 105 105 GLY N N 139 106.466 116.444 -9.978 1
1 859 . 8 1 1 A 106 106 ALA H H 140 8.191 8.476 -0.285 1
1 860 . 8 1 1 A 106 106 ALA HA H 140 4.564 4.572 -0.008 1
1 864 . 8 1 1 A 106 106 ALA C C 140 177.004 176.523 0.481 1
1 865 . 8 1 1 A 106 106 ALA CA C 140 51.406 50.950 0.456 1
1 866 . 8 1 1 A 106 106 ALA CB C 140 19.500 19.386 0.114 1
1 867 . 8 1 1 A 106 106 ALA N N 140 120.674 128.840 -8.166 1
1 868 . 8 1 1 A 107 107 TYR H H 141 8.458 8.122 0.336 1
1 869 . 8 1 1 A 107 107 TYR HA H 141 4.578 4.173 0.405 1
1 873 . 8 1 1 A 107 107 TYR C C 141 174.746 174.490 0.256 1
1 874 . 8 1 1 A 107 107 TYR CA C 141 56.554 59.112 -2.558 1
1 875 . 8 1 1 A 107 107 TYR CB C 141 38.649 36.998 1.651 1
1 878 . 8 1 1 A 107 107 TYR N N 141 121.312 115.732 5.580 1
1 879 . 8 1 1 A 108 108 VAL H H 142 7.941 7.662 0.279 1
1 880 . 8 1 1 A 108 108 VAL HA H 142 4.008 4.538 -0.530 1
1 888 . 8 1 1 A 108 108 VAL C C 142 174.701 176.158 -1.457 1
1 889 . 8 1 1 A 108 108 VAL CA C 142 60.912 60.886 0.026 1
1 890 . 8 1 1 A 108 108 VAL CB C 142 32.065 32.166 -0.101 1
1 893 . 8 1 1 A 108 108 VAL N N 142 125.257 119.074 6.183 1
1 9 . 9 1 1 A 2 2 TYR H H 36 7.537 7.490 0.047 1
1 10 . 9 1 1 A 2 2 TYR HA H 36 3.945 4.962 -1.017 1
1 15 . 9 1 1 A 2 2 TYR C C 36 176.000 175.163 0.837 1
1 16 . 9 1 1 A 2 2 TYR CA C 36 57.871 57.424 0.447 1
1 17 . 9 1 1 A 2 2 TYR CB C 36 37.248 40.611 -3.363 1
1 18 . 9 1 1 A 2 2 TYR N N 36 117.048 119.500 -2.452 1
1 19 . 9 1 1 A 3 3 GLU H H 37 7.718 8.975 -1.257 1
1 20 . 9 1 1 A 3 3 GLU HA H 37 4.025 4.544 -0.519 1
1 24 . 9 1 1 A 3 3 GLU C C 37 176.100 175.607 0.493 1
1 25 . 9 1 1 A 3 3 GLU CA C 37 56.788 56.323 0.465 1
1 26 . 9 1 1 A 3 3 GLU CB C 37 29.527 28.903 0.624 1
1 28 . 9 1 1 A 3 3 GLU N N 37 118.925 120.455 -1.530 1
1 29 . 9 1 1 A 4 4 GLU H H 38 7.866 7.833 0.033 1
1 30 . 9 1 1 A 4 4 GLU HA H 38 4.215 4.911 -0.696 1
1 35 . 9 1 1 A 4 4 GLU C C 38 176.205 175.292 0.913 1
1 36 . 9 1 1 A 4 4 GLU CA C 38 55.595 55.725 -0.130 1
1 37 . 9 1 1 A 4 4 GLU CB C 38 29.162 30.274 -1.112 1
1 38 . 9 1 1 A 4 4 GLU N N 38 116.623 120.670 -4.047 1
1 39 . 9 1 1 A 5 5 PHE H H 39 8.087 9.096 -1.009 1
1 40 . 9 1 1 A 5 5 PHE HA H 39 4.780 4.923 -0.143 1
1 46 . 9 1 1 A 5 5 PHE C C 39 176.758 176.271 0.487 1
1 47 . 9 1 1 A 5 5 PHE CA C 39 54.914 58.504 -3.590 1
1 48 . 9 1 1 A 5 5 PHE CB C 39 36.531 40.715 -4.184 1
1 49 . 9 1 1 A 5 5 PHE N N 39 121.852 127.013 -5.161 1
1 50 . 9 1 1 A 6 6 ARG HA H 40 4.515 3.848 0.667 1
1 51 . 9 1 1 A 6 6 ARG C C 40 176.376 175.186 1.190 1
1 52 . 9 1 1 A 6 6 ARG CA C 40 56.288 58.269 -1.981 1
1 53 . 9 1 1 A 6 6 ARG CB C 40 31.100 29.608 1.492 1
1 54 . 9 1 1 A 7 7 ASP H H 41 8.851 7.402 1.449 1
1 55 . 9 1 1 A 7 7 ASP HA H 41 5.182 5.093 0.089 1
1 57 . 9 1 1 A 7 7 ASP C C 41 175.379 174.010 1.369 1
1 58 . 9 1 1 A 7 7 ASP CA C 41 53.324 52.484 0.840 1
1 59 . 9 1 1 A 7 7 ASP CB C 41 44.292 43.189 1.103 1
1 60 . 9 1 1 A 7 7 ASP N N 41 119.795 115.454 4.341 1
1 61 . 9 1 1 A 8 8 VAL H H 42 8.580 8.921 -0.341 1
1 62 . 9 1 1 A 8 8 VAL HA H 42 4.856 4.895 -0.039 1
1 70 . 9 1 1 A 8 8 VAL C C 42 175.170 174.396 0.774 1
1 71 . 9 1 1 A 8 8 VAL CA C 42 61.398 60.284 1.114 1
1 72 . 9 1 1 A 8 8 VAL CB C 42 33.643 34.036 -0.393 1
1 75 . 9 1 1 A 8 8 VAL N N 42 120.042 122.974 -2.932 1
1 76 . 9 1 1 A 9 9 ILE H H 43 8.765 9.669 -0.904 1
1 77 . 9 1 1 A 9 9 ILE HA H 43 4.939 4.670 0.269 1
1 79 . 9 1 1 A 9 9 ILE C C 43 173.755 174.954 -1.199 1
1 80 . 9 1 1 A 9 9 ILE CA C 43 58.528 59.694 -1.166 1
1 81 . 9 1 1 A 9 9 ILE CB C 43 40.437 40.278 0.159 1
1 82 . 9 1 1 A 9 9 ILE N N 43 117.778 130.685 -12.907 1
1 83 . 9 1 1 A 10 10 THR H H 44 7.834 8.375 -0.541 1
1 84 . 9 1 1 A 10 10 THR HA H 44 4.709 4.927 -0.218 1
1 87 . 9 1 1 A 10 10 THR C C 44 173.691 172.885 0.806 1
1 88 . 9 1 1 A 10 10 THR CA C 44 61.662 60.719 0.943 1
1 89 . 9 1 1 A 10 10 THR CB C 44 70.906 70.033 0.873 1
1 91 . 9 1 1 A 10 10 THR N N 44 116.613 115.863 0.750 1
1 92 . 9 1 1 A 11 11 PHE H H 45 8.821 8.668 0.153 1
1 93 . 9 1 1 A 11 11 PHE HA H 45 4.807 5.062 -0.255 1
1 94 . 9 1 1 A 11 11 PHE C C 45 175.619 175.420 0.199 1
1 95 . 9 1 1 A 11 11 PHE CA C 45 57.779 56.467 1.312 1
1 96 . 9 1 1 A 11 11 PHE CB C 45 39.649 40.594 -0.945 1
1 97 . 9 1 1 A 11 11 PHE N N 45 125.155 125.415 -0.260 1
1 98 . 9 1 1 A 12 12 GLN H H 46 9.103 9.213 -0.110 1
1 99 . 9 1 1 A 12 12 GLN HA H 46 5.573 5.258 0.315 1
1 103 . 9 1 1 A 12 12 GLN C C 46 175.011 173.782 1.229 1
1 104 . 9 1 1 A 12 12 GLN CA C 46 54.423 54.146 0.277 1
1 105 . 9 1 1 A 12 12 GLN CB C 46 34.467 33.152 1.315 1
1 106 . 9 1 1 A 12 12 GLN N N 46 119.069 120.404 -1.335 1
1 107 . 9 1 1 A 13 13 SER H H 47 8.730 8.978 -0.248 1
1 108 . 9 1 1 A 13 13 SER HA H 47 5.229 5.340 -0.111 1
1 110 . 9 1 1 A 13 13 SER C C 47 171.559 172.064 -0.505 1
1 111 . 9 1 1 A 13 13 SER CA C 47 56.514 56.757 -0.243 1
1 112 . 9 1 1 A 13 13 SER CB C 47 66.075 65.896 0.179 1
1 113 . 9 1 1 A 13 13 SER N N 47 114.734 115.263 -0.529 1
1 114 . 9 1 1 A 14 14 TYR H H 48 8.544 8.700 -0.156 1
1 115 . 9 1 1 A 14 14 TYR HA H 48 4.256 4.855 -0.599 1
1 120 . 9 1 1 A 14 14 TYR C C 48 175.437 173.777 1.660 1
1 121 . 9 1 1 A 14 14 TYR CA C 48 56.137 55.802 0.335 1
1 122 . 9 1 1 A 14 14 TYR CB C 48 36.242 41.092 -4.850 1
1 125 . 9 1 1 A 14 14 TYR N N 48 126.962 126.091 0.871 1
1 126 . 9 1 1 A 15 15 VAL H H 49 8.537 8.165 0.372 1
1 127 . 9 1 1 A 15 15 VAL HA H 49 4.360 4.609 -0.249 1
1 132 . 9 1 1 A 15 15 VAL C C 49 174.600 174.725 -0.125 1
1 133 . 9 1 1 A 15 15 VAL CA C 49 62.600 59.332 3.268 1
1 134 . 9 1 1 A 15 15 VAL CB C 49 35.100 35.641 -0.541 1
1 136 . 9 1 1 A 15 15 VAL N N 49 123.837 122.444 1.393 1
1 137 . 9 1 1 A 16 16 GLU H H 50 8.296 8.388 -0.092 1
1 138 . 9 1 1 A 16 16 GLU HA H 50 3.702 4.661 -0.959 1
1 142 . 9 1 1 A 16 16 GLU C C 50 175.947 175.873 0.074 1
1 143 . 9 1 1 A 16 16 GLU CA C 50 55.400 55.282 0.118 1
1 144 . 9 1 1 A 16 16 GLU CB C 50 30.100 29.522 0.578 1
1 145 . 9 1 1 A 16 16 GLU N N 50 124.989 120.094 4.895 1
1 146 . 9 1 1 A 17 17 GLN H H 51 8.529 7.386 1.143 1
1 147 . 9 1 1 A 17 17 GLN HA H 51 4.415 4.561 -0.146 1
1 151 . 9 1 1 A 17 17 GLN C C 51 175.122 175.694 -0.572 1
1 152 . 9 1 1 A 17 17 GLN CA C 51 54.060 54.373 -0.313 1
1 153 . 9 1 1 A 17 17 GLN CB C 51 29.943 28.055 1.888 1
1 155 . 9 1 1 A 17 17 GLN N N 51 124.656 120.725 3.931 1
1 156 . 9 1 1 A 18 18 SER HA H 52 4.420 4.536 -0.116 1
1 157 . 9 1 1 A 18 18 SER C C 52 173.505 174.087 -0.582 1
1 158 . 9 1 1 A 18 18 SER CA C 52 58.279 58.331 -0.052 1
1 159 . 9 1 1 A 18 18 SER CB C 52 63.835 63.661 0.174 1
1 160 . 9 1 1 A 19 19 ASN H H 53 8.109 8.050 0.059 1
1 161 . 9 1 1 A 19 19 ASN HA H 53 4.399 4.813 -0.414 1
1 164 . 9 1 1 A 19 19 ASN C C 53 179.837 174.802 5.035 1
1 165 . 9 1 1 A 19 19 ASN CA C 53 54.664 55.007 -0.343 1
1 166 . 9 1 1 A 19 19 ASN CB C 53 39.983 37.640 2.343 1
1 167 . 9 1 1 A 19 19 ASN N N 53 126.199 118.024 8.175 1
1 168 . 9 1 1 A 20 20 GLY H H 54 8.166 8.631 -0.465 1
1 169 . 9 1 1 A 20 20 GLY HA2 H 54 3.911 3.909 0.002 1
1 170 . 9 1 1 A 20 20 GLY C C 54 174.876 172.939 1.937 1
1 171 . 9 1 1 A 20 20 GLY CA C 54 45.206 47.085 -1.879 1
1 172 . 9 1 1 A 20 20 GLY N N 54 113.067 107.714 5.353 1
1 173 . 9 1 1 A 22 22 GLY CA C 56 45.279 47.029 -1.750 1
1 174 . 9 1 1 A 23 23 GLY H H 57 8.235 8.376 -0.141 1
1 175 . 9 1 1 A 23 23 GLY HA2 H 57 3.929 4.121 -0.192 1
1 176 . 9 1 1 A 23 23 GLY C C 57 173.796 173.375 0.421 1
1 177 . 9 1 1 A 23 23 GLY CA C 57 45.348 45.619 -0.271 1
1 178 . 9 1 1 A 23 23 GLY N N 57 108.389 107.925 0.464 1
1 179 . 9 1 1 A 24 24 LYS HA H 58 4.804 4.563 0.241 1
1 180 . 9 1 1 A 24 24 LYS C C 58 175.908 175.175 0.733 1
1 181 . 9 1 1 A 24 24 LYS CA C 58 54.833 55.642 -0.809 1
1 182 . 9 1 1 A 24 24 LYS CB C 58 34.402 32.315 2.087 1
1 183 . 9 1 1 A 25 25 THR H H 59 8.413 8.582 -0.169 1
1 184 . 9 1 1 A 25 25 THR HA H 59 4.482 4.677 -0.195 1
1 187 . 9 1 1 A 25 25 THR C C 59 171.934 172.039 -0.105 1
1 188 . 9 1 1 A 25 25 THR CA C 59 60.144 59.230 0.914 1
1 189 . 9 1 1 A 25 25 THR CB C 59 71.035 70.498 0.537 1
1 191 . 9 1 1 A 25 25 THR N N 59 115.947 120.693 -4.746 1
1 192 . 9 1 1 A 26 26 TYR H H 60 8.182 7.898 0.284 1
1 193 . 9 1 1 A 26 26 TYR HA H 60 4.883 5.693 -0.810 1
1 198 . 9 1 1 A 26 26 TYR C C 60 173.593 173.547 0.046 1
1 199 . 9 1 1 A 26 26 TYR CA C 60 54.043 55.263 -1.220 1
1 200 . 9 1 1 A 26 26 TYR CB C 60 40.100 41.500 -1.400 1
1 202 . 9 1 1 A 26 26 TYR N N 60 121.985 118.664 3.321 1
1 203 . 9 1 1 A 27 27 LYS H H 61 8.385 8.266 0.119 1
1 204 . 9 1 1 A 27 27 LYS HA H 61 4.563 5.014 -0.451 1
1 205 . 9 1 1 A 27 27 LYS C C 61 174.186 175.183 -0.997 1
1 206 . 9 1 1 A 27 27 LYS CA C 61 54.589 54.591 -0.002 1
1 207 . 9 1 1 A 27 27 LYS CB C 61 35.801 36.920 -1.119 1
1 208 . 9 1 1 A 27 27 LYS N N 61 120.203 119.711 0.492 1
1 209 . 9 1 1 A 28 28 TRP H H 62 8.524 8.812 -0.288 1
1 210 . 9 1 1 A 28 28 TRP HA H 62 5.361 5.551 -0.190 1
1 215 . 9 1 1 A 28 28 TRP C C 62 176.934 175.765 1.169 1
1 216 . 9 1 1 A 28 28 TRP CA C 62 56.499 55.667 0.832 1
1 217 . 9 1 1 A 28 28 TRP CB C 62 29.300 31.128 -1.828 1
1 218 . 9 1 1 A 28 28 TRP N N 62 122.913 120.195 2.718 1
1 220 . 9 1 1 A 29 29 VAL H H 63 9.470 8.941 0.529 1
1 221 . 9 1 1 A 29 29 VAL HA H 63 4.626 4.829 -0.203 1
1 229 . 9 1 1 A 29 29 VAL C C 63 175.264 174.127 1.137 1
1 230 . 9 1 1 A 29 29 VAL CA C 63 59.163 60.055 -0.892 1
1 231 . 9 1 1 A 29 29 VAL CB C 63 34.759 35.663 -0.904 1
1 234 . 9 1 1 A 29 29 VAL N N 63 120.454 122.168 -1.714 1
1 235 . 9 1 1 A 30 30 ASP H H 64 8.576 8.898 -0.322 1
1 236 . 9 1 1 A 30 30 ASP HA H 64 4.386 4.879 -0.493 1
1 237 . 9 1 1 A 30 30 ASP C C 64 174.186 176.231 -2.045 1
1 238 . 9 1 1 A 30 30 ASP CA C 64 55.907 53.437 2.470 1
1 239 . 9 1 1 A 30 30 ASP CB C 64 39.942 42.818 -2.876 1
1 240 . 9 1 1 A 30 30 ASP N N 64 123.588 125.106 -1.518 1
1 241 . 9 1 1 A 31 31 GLU H H 65 9.482 9.348 0.134 1
1 242 . 9 1 1 A 31 31 GLU HA H 65 4.674 4.456 0.218 1
1 246 . 9 1 1 A 31 31 GLU C C 65 176.000 176.414 -0.414 1
1 247 . 9 1 1 A 31 31 GLU CA C 65 57.263 58.262 -0.999 1
1 248 . 9 1 1 A 31 31 GLU CB C 65 30.200 31.230 -1.030 1
1 250 . 9 1 1 A 31 31 GLU N N 65 124.008 124.821 -0.813 1
1 251 . 9 1 1 A 32 32 PHE H H 66 7.257 7.443 -0.186 1
1 252 . 9 1 1 A 32 32 PHE HA H 66 4.940 5.137 -0.197 1
1 254 . 9 1 1 A 32 32 PHE C C 66 172.742 172.587 0.155 1
1 255 . 9 1 1 A 32 32 PHE CA C 66 56.316 56.678 -0.362 1
1 256 . 9 1 1 A 32 32 PHE CB C 66 38.948 40.778 -1.830 1
1 257 . 9 1 1 A 32 32 PHE N N 66 110.866 112.789 -1.923 1
1 258 . 9 1 1 A 33 33 THR H H 67 8.603 8.873 -0.270 1
1 259 . 9 1 1 A 33 33 THR HA H 67 5.377 5.303 0.074 1
1 262 . 9 1 1 A 33 33 THR C C 67 173.388 172.668 0.720 1
1 263 . 9 1 1 A 33 33 THR CA C 67 60.207 60.147 0.060 1
1 264 . 9 1 1 A 33 33 THR CB C 67 71.620 71.588 0.032 1
1 266 . 9 1 1 A 33 33 THR N N 67 114.847 115.136 -0.289 1
1 267 . 9 1 1 A 34 34 ALA H H 68 9.185 8.752 0.433 1
1 268 . 9 1 1 A 34 34 ALA HA H 68 4.873 5.145 -0.272 1
1 272 . 9 1 1 A 34 34 ALA C C 68 174.999 175.781 -0.782 1
1 273 . 9 1 1 A 34 34 ALA CA C 68 50.660 51.303 -0.643 1
1 274 . 9 1 1 A 34 34 ALA CB C 68 23.911 23.992 -0.081 1
1 275 . 9 1 1 A 34 34 ALA N N 68 125.817 129.791 -3.974 1
1 276 . 9 1 1 A 35 35 ALA H H 69 8.347 8.668 -0.321 1
1 277 . 9 1 1 A 35 35 ALA HA H 69 4.889 4.820 0.069 1
1 281 . 9 1 1 A 35 35 ALA C C 69 176.937 176.962 -0.025 1
1 282 . 9 1 1 A 35 35 ALA CA C 69 51.329 51.522 -0.193 1
1 283 . 9 1 1 A 35 35 ALA CB C 69 19.210 20.127 -0.917 1
1 284 . 9 1 1 A 35 35 ALA N N 69 122.342 123.274 -0.932 1
1 285 . 9 1 1 A 36 36 ALA H H 70 8.468 8.807 -0.339 1
1 286 . 9 1 1 A 36 36 ALA HA H 70 4.996 4.931 0.065 1
1 290 . 9 1 1 A 36 36 ALA C C 70 175.102 175.944 -0.842 1
1 291 . 9 1 1 A 36 36 ALA CA C 70 50.876 51.712 -0.836 1
1 292 . 9 1 1 A 36 36 ALA CB C 70 23.556 23.250 0.306 1
1 293 . 9 1 1 A 36 36 ALA N N 70 120.267 125.681 -5.414 1
1 294 . 9 1 1 A 37 37 HIS H H 71 9.136 8.431 0.705 1
1 295 . 9 1 1 A 37 37 HIS HA H 71 5.343 5.316 0.027 1
1 298 . 9 1 1 A 37 37 HIS C C 71 174.002 174.478 -0.476 1
1 299 . 9 1 1 A 37 37 HIS CA C 71 54.803 54.811 -0.008 1
1 300 . 9 1 1 A 37 37 HIS CB C 71 32.322 30.373 1.949 1
1 301 . 9 1 1 A 37 37 HIS N N 71 119.360 118.231 1.129 1
1 302 . 9 1 1 A 38 38 VAL H H 72 8.557 9.205 -0.648 1
1 303 . 9 1 1 A 38 38 VAL HA H 72 4.174 4.740 -0.566 1
1 311 . 9 1 1 A 38 38 VAL C C 72 174.000 175.336 -1.336 1
1 312 . 9 1 1 A 38 38 VAL CA C 72 61.587 61.880 -0.293 1
1 313 . 9 1 1 A 38 38 VAL CB C 72 31.381 33.447 -2.066 1
1 316 . 9 1 1 A 38 38 VAL N N 72 127.947 123.569 4.378 1
1 317 . 9 1 1 A 39 39 GLN H H 73 8.971 8.179 0.792 1
1 318 . 9 1 1 A 39 39 GLN HA H 73 5.019 4.716 0.303 1
1 321 . 9 1 1 A 39 39 GLN C C 73 173.260 172.831 0.429 1
1 322 . 9 1 1 A 39 39 GLN CA C 73 51.310 52.306 -0.996 1
1 323 . 9 1 1 A 39 39 GLN CB C 73 30.955 31.328 -0.373 1
1 324 . 9 1 1 A 39 39 GLN N N 73 127.985 125.147 2.838 1
1 325 . 9 1 1 A 40 40 PRO HA H 74 4.707 3.230 1.477 1
1 329 . 9 1 1 A 40 40 PRO C C 74 3.820 176.567 -172.747 1
1 330 . 9 1 1 A 40 40 PRO CA C 74 176.828 62.798 114.030 1
1 331 . 9 1 1 A 40 40 PRO CB C 74 62.215 31.693 30.522 1
1 333 . 9 1 1 A 40 40 PRO N N 74 50.800 135.609 -84.809 1
1 334 . 9 1 1 A 41 41 ILE H H 75 8.105 8.732 -0.627 1
1 335 . 9 1 1 A 41 41 ILE HA H 75 4.074 3.602 0.472 1
1 338 . 9 1 1 A 41 41 ILE C C 75 175.881 175.366 0.515 1
1 339 . 9 1 1 A 41 41 ILE CA C 75 61.399 63.657 -2.258 1
1 340 . 9 1 1 A 41 41 ILE CB C 75 38.214 36.419 1.795 1
1 342 . 9 1 1 A 41 41 ILE N N 75 122.818 116.973 5.845 1
1 343 . 9 1 1 A 43 43 GLN HA H 77 4.267 3.702 0.565 1
1 344 . 9 1 1 A 43 43 GLN C C 77 176.255 175.338 0.917 1
1 345 . 9 1 1 A 43 43 GLN CA C 77 56.500 58.598 -2.098 1
1 346 . 9 1 1 A 43 43 GLN CB C 77 29.100 26.782 2.318 1
1 347 . 9 1 1 A 44 44 GLU H H 78 8.458 8.181 0.277 1
1 348 . 9 1 1 A 44 44 GLU HA H 78 4.184 4.204 -0.020 1
1 351 . 9 1 1 A 44 44 GLU C C 78 177.000 176.137 0.863 1
1 352 . 9 1 1 A 44 44 GLU CA C 78 57.400 57.848 -0.448 1
1 353 . 9 1 1 A 44 44 GLU CB C 78 29.148 31.220 -2.072 1
1 355 . 9 1 1 A 44 44 GLU N N 78 120.627 117.745 2.882 1
1 356 . 9 1 1 A 45 45 GLU H H 79 8.283 7.487 0.796 1
1 357 . 9 1 1 A 45 45 GLU HA H 79 4.121 4.107 0.014 1
1 360 . 9 1 1 A 45 45 GLU C C 79 176.972 176.413 0.559 1
1 361 . 9 1 1 A 45 45 GLU CA C 79 57.106 57.643 -0.537 1
1 362 . 9 1 1 A 45 45 GLU CB C 79 29.680 28.464 1.216 1
1 364 . 9 1 1 A 45 45 GLU N N 79 119.997 117.553 2.444 1
1 365 . 9 1 1 A 46 46 TYR H H 80 7.961 8.602 -0.641 1
1 366 . 9 1 1 A 46 46 TYR HA H 80 4.369 4.668 -0.299 1
1 369 . 9 1 1 A 46 46 TYR C C 80 176.086 175.357 0.729 1
1 370 . 9 1 1 A 46 46 TYR CA C 80 58.284 58.510 -0.226 1
1 371 . 9 1 1 A 46 46 TYR CB C 80 38.214 38.870 -0.656 1
1 372 . 9 1 1 A 46 46 TYR N N 80 119.582 123.075 -3.493 1
1 373 . 9 1 1 A 47 47 TYR H H 81 7.918 7.385 0.533 1
1 374 . 9 1 1 A 47 47 TYR HA H 81 4.399 4.816 -0.417 1
1 378 . 9 1 1 A 47 47 TYR C C 81 176.566 172.613 3.953 1
1 379 . 9 1 1 A 47 47 TYR CA C 81 58.479 56.350 2.129 1
1 380 . 9 1 1 A 47 47 TYR CB C 81 38.042 39.623 -1.581 1
1 381 . 9 1 1 A 47 47 TYR N N 81 119.336 117.167 2.169 1
1 382 . 9 1 1 A 48 48 LYS HA H 82 4.090 4.277 -0.187 1
1 383 . 9 1 1 A 48 48 LYS C C 82 176.894 176.465 0.429 1
1 384 . 9 1 1 A 48 48 LYS CA C 82 56.786 55.428 1.358 1
1 385 . 9 1 1 A 48 48 LYS CB C 82 32.306 30.955 1.351 1
1 386 . 9 1 1 A 49 49 ALA H H 83 7.999 7.914 0.085 1
1 387 . 9 1 1 A 49 49 ALA HA H 83 4.178 4.300 -0.122 1
1 391 . 9 1 1 A 49 49 ALA C C 83 178.193 176.536 1.657 1
1 392 . 9 1 1 A 49 49 ALA CA C 83 52.825 51.759 1.066 1
1 393 . 9 1 1 A 49 49 ALA CB C 83 18.200 18.755 -0.555 1
1 394 . 9 1 1 A 49 49 ALA N N 83 122.394 127.316 -4.922 1
1 395 . 9 1 1 A 50 50 GLN H H 84 8.006 7.828 0.178 1
1 396 . 9 1 1 A 50 50 GLN HA H 84 4.167 4.260 -0.093 1
1 400 . 9 1 1 A 50 50 GLN C C 84 176.200 175.542 0.658 1
1 401 . 9 1 1 A 50 50 GLN CA C 84 56.016 56.672 -0.656 1
1 402 . 9 1 1 A 50 50 GLN CB C 84 28.467 27.467 1.000 1
1 404 . 9 1 1 A 50 50 GLN N N 84 116.623 113.589 3.034 1
1 405 . 9 1 1 A 51 51 GLN H H 85 8.085 8.438 -0.353 1
1 406 . 9 1 1 A 51 51 GLN HA H 85 4.223 4.657 -0.434 1
1 410 . 9 1 1 A 51 51 GLN CA C 85 56.393 55.234 1.159 1
1 411 . 9 1 1 A 51 51 GLN CB C 85 28.600 29.475 -0.875 1
1 413 . 9 1 1 A 51 51 GLN N N 85 118.681 121.695 -3.014 1
1 414 . 9 1 1 A 53 53 GLN HA H 87 4.268 4.322 -0.054 1
1 415 . 9 1 1 A 53 53 GLN C C 87 175.517 175.559 -0.042 1
1 416 . 9 1 1 A 53 53 GLN CA C 87 55.821 57.697 -1.876 1
1 417 . 9 1 1 A 53 53 GLN CB C 87 28.296 28.819 -0.523 1
1 418 . 9 1 1 A 54 54 THR H H 88 7.950 7.532 0.418 1
1 419 . 9 1 1 A 54 54 THR HA H 88 4.540 4.647 -0.107 1
1 422 . 9 1 1 A 54 54 THR C C 88 172.445 171.665 0.780 1
1 423 . 9 1 1 A 54 54 THR CA C 88 59.184 58.561 0.623 1
1 424 . 9 1 1 A 54 54 THR CB C 88 69.534 71.745 -2.211 1
1 426 . 9 1 1 A 54 54 THR N N 88 116.337 110.898 5.439 1
1 427 . 9 1 1 A 55 55 PRO HA H 89 4.410 4.806 -0.396 1
1 431 . 9 1 1 A 55 55 PRO C C 89 3.600 176.838 -173.238 1
1 432 . 9 1 1 A 55 55 PRO CA C 89 176.508 62.449 114.059 1
1 433 . 9 1 1 A 55 55 PRO CB C 89 62.325 32.101 30.224 1
1 436 . 9 1 1 A 55 55 PRO N N 89 50.400 141.473 -91.073 1
1 437 . 9 1 1 A 56 56 ILE H H 90 8.247 8.370 -0.123 1
1 438 . 9 1 1 A 56 56 ILE HA H 90 3.993 4.467 -0.474 1
1 443 . 9 1 1 A 56 56 ILE C C 90 175.132 175.731 -0.599 1
1 444 . 9 1 1 A 56 56 ILE CA C 90 60.718 60.866 -0.148 1
1 445 . 9 1 1 A 56 56 ILE CB C 90 38.277 38.444 -0.167 1
1 447 . 9 1 1 A 56 56 ILE N N 90 121.921 117.570 4.351 1
1 448 . 9 1 1 A 57 57 GLY H H 91 7.820 7.815 0.005 1
1 449 . 9 1 1 A 57 57 GLY HA2 H 91 4.550 4.170 0.380 1
1 450 . 9 1 1 A 57 57 GLY HA3 H 91 3.640 4.256 -0.616 1
1 451 . 9 1 1 A 57 57 GLY C C 91 172.184 171.519 0.665 1
1 452 . 9 1 1 A 57 57 GLY CA C 91 43.575 45.001 -1.426 1
1 453 . 9 1 1 A 57 57 GLY N N 91 110.987 110.170 0.817 1
1 454 . 9 1 1 A 58 58 TYR H H 92 8.593 9.092 -0.499 1
1 455 . 9 1 1 A 58 58 TYR HA H 92 5.166 5.299 -0.133 1
1 460 . 9 1 1 A 58 58 TYR C C 92 175.122 174.279 0.843 1
1 461 . 9 1 1 A 58 58 TYR CA C 92 56.544 56.554 -0.010 1
1 462 . 9 1 1 A 58 58 TYR CB C 92 43.819 42.925 0.894 1
1 465 . 9 1 1 A 58 58 TYR N N 92 116.307 121.393 -5.086 1
1 466 . 9 1 1 A 59 59 ASN H H 93 8.964 8.688 0.276 1
1 467 . 9 1 1 A 59 59 ASN HA H 93 5.116 5.663 -0.547 1
1 470 . 9 1 1 A 59 59 ASN C C 93 173.457 173.549 -0.092 1
1 471 . 9 1 1 A 59 59 ASN CA C 93 52.717 51.938 0.779 1
1 472 . 9 1 1 A 59 59 ASN CB C 93 40.420 41.653 -1.233 1
1 473 . 9 1 1 A 59 59 ASN N N 93 119.232 121.651 -2.419 1
1 474 . 9 1 1 A 60 60 ILE H H 94 9.013 8.846 0.167 1
1 475 . 9 1 1 A 60 60 ILE HA H 94 4.383 5.033 -0.650 1
1 476 . 9 1 1 A 60 60 ILE C C 94 173.370 173.620 -0.250 1
1 477 . 9 1 1 A 60 60 ILE CA C 94 60.231 59.908 0.323 1
1 478 . 9 1 1 A 60 60 ILE CB C 94 38.728 41.714 -2.986 1
1 479 . 9 1 1 A 60 60 ILE N N 94 123.021 125.532 -2.511 1
1 480 . 9 1 1 A 61 61 TYR H H 95 8.867 8.512 0.355 1
1 481 . 9 1 1 A 61 61 TYR HA H 95 5.279 5.815 -0.536 1
1 486 . 9 1 1 A 61 61 TYR C C 95 174.262 173.487 0.775 1
1 487 . 9 1 1 A 61 61 TYR CA C 95 55.732 55.308 0.424 1
1 488 . 9 1 1 A 61 61 TYR CB C 95 39.723 41.553 -1.830 1
1 491 . 9 1 1 A 61 61 TYR N N 95 125.343 125.272 0.071 1
1 492 . 9 1 1 A 62 62 THR H H 96 8.998 8.701 0.297 1
1 493 . 9 1 1 A 62 62 THR HA H 96 4.889 4.870 0.019 1
1 496 . 9 1 1 A 62 62 THR C C 96 172.708 171.691 1.017 1
1 497 . 9 1 1 A 62 62 THR CA C 96 58.248 58.225 0.023 1
1 498 . 9 1 1 A 62 62 THR CB C 96 73.097 72.710 0.387 1
1 500 . 9 1 1 A 62 62 THR N N 96 119.223 117.555 1.668 1
1 501 . 9 1 1 A 63 63 PRO HA H 97 4.410 4.654 -0.244 1
1 503 . 9 1 1 A 63 63 PRO C C 97 3.190 177.325 -174.135 1
1 504 . 9 1 1 A 63 63 PRO CA C 97 175.250 62.766 112.484 1
1 505 . 9 1 1 A 63 63 PRO CB C 97 63.642 32.608 31.034 1
1 507 . 9 1 1 A 63 63 PRO N N 97 51.700 138.941 -87.241 1
1 508 . 9 1 1 A 64 64 TYR H H 98 7.826 9.114 -1.288 1
1 509 . 9 1 1 A 64 64 TYR HA H 98 4.265 4.124 0.141 1
1 514 . 9 1 1 A 64 64 TYR C C 98 175.150 174.079 1.071 1
1 515 . 9 1 1 A 64 64 TYR CA C 98 59.434 59.388 0.046 1
1 516 . 9 1 1 A 64 64 TYR CB C 98 37.240 36.785 0.455 1
1 518 . 9 1 1 A 64 64 TYR N N 98 122.118 123.845 -1.727 1
1 519 . 9 1 1 A 65 65 ASP H H 99 5.931 8.016 -2.085 1
1 520 . 9 1 1 A 65 65 ASP HA H 99 4.255 4.718 -0.463 1
1 523 . 9 1 1 A 65 65 ASP C C 99 176.079 174.782 1.297 1
1 524 . 9 1 1 A 65 65 ASP CA C 99 52.885 53.732 -0.847 1
1 525 . 9 1 1 A 65 65 ASP CB C 99 43.486 42.201 1.285 1
1 526 . 9 1 1 A 65 65 ASP N N 99 125.409 119.487 5.922 1
1 527 . 9 1 1 A 66 66 ASP H H 100 8.703 8.631 0.072 1
1 528 . 9 1 1 A 66 66 ASP HA H 100 4.058 4.794 -0.736 1
1 531 . 9 1 1 A 66 66 ASP C C 100 176.300 176.595 -0.295 1
1 532 . 9 1 1 A 66 66 ASP CA C 100 55.332 53.945 1.387 1
1 533 . 9 1 1 A 66 66 ASP CB C 100 40.206 41.001 -0.795 1
1 534 . 9 1 1 A 66 66 ASP N N 100 128.295 124.555 3.740 1
1 535 . 9 1 1 A 67 67 ARG H H 101 8.832 7.612 1.220 1
1 536 . 9 1 1 A 67 67 ARG HA H 101 3.944 4.461 -0.517 1
1 538 . 9 1 1 A 67 67 ARG C C 101 177.624 177.048 0.576 1
1 539 . 9 1 1 A 67 67 ARG CA C 101 56.509 55.843 0.666 1
1 540 . 9 1 1 A 67 67 ARG CB C 101 31.162 30.598 0.564 1
1 541 . 9 1 1 A 67 67 ARG N N 101 117.507 118.103 -0.596 1
1 542 . 9 1 1 A 68 68 ILE H H 102 7.004 7.811 -0.807 1
1 543 . 9 1 1 A 68 68 ILE HA H 102 3.507 4.314 -0.807 1
1 548 . 9 1 1 A 68 68 ILE C C 102 174.835 175.445 -0.610 1
1 549 . 9 1 1 A 68 68 ILE CA C 102 63.638 63.903 -0.265 1
1 550 . 9 1 1 A 68 68 ILE CB C 102 36.617 37.551 -0.934 1
1 552 . 9 1 1 A 68 68 ILE N N 102 116.003 116.326 -0.323 1
1 553 . 9 1 1 A 69 69 ASP H H 103 8.026 8.215 -0.189 1
1 554 . 9 1 1 A 69 69 ASP HA H 103 4.954 4.966 -0.012 1
1 557 . 9 1 1 A 69 69 ASP C C 103 175.574 175.134 0.440 1
1 558 . 9 1 1 A 69 69 ASP CA C 103 52.485 52.535 -0.050 1
1 559 . 9 1 1 A 69 69 ASP CB C 103 45.984 43.027 2.957 1
1 560 . 9 1 1 A 69 69 ASP N N 103 129.672 121.806 7.866 1
1 561 . 9 1 1 A 70 70 LYS H H 104 8.505 9.223 -0.718 1
1 562 . 9 1 1 A 70 70 LYS C C 104 175.300 176.793 -1.493 1
1 563 . 9 1 1 A 70 70 LYS CA C 104 58.027 57.131 0.896 1
1 564 . 9 1 1 A 70 70 LYS CB C 104 31.376 35.045 -3.669 1
1 565 . 9 1 1 A 70 70 LYS N N 104 119.646 124.845 -5.199 1
1 566 . 9 1 1 A 71 71 LYS H H 105 8.653 7.772 0.881 1
1 567 . 9 1 1 A 71 71 LYS HA H 105 4.513 4.774 -0.261 1
1 571 . 9 1 1 A 71 71 LYS C C 105 178.190 174.422 3.768 1
1 572 . 9 1 1 A 71 71 LYS CA C 105 56.415 56.202 0.213 1
1 573 . 9 1 1 A 71 71 LYS CB C 105 30.942 32.746 -1.804 1
1 575 . 9 1 1 A 71 71 LYS N N 105 118.554 116.585 1.969 1
1 576 . 9 1 1 A 72 72 MET H H 106 7.596 8.381 -0.785 1
1 577 . 9 1 1 A 72 72 MET HA H 106 5.019 5.290 -0.271 1
1 578 . 9 1 1 A 72 72 MET C C 106 172.309 174.437 -2.128 1
1 579 . 9 1 1 A 72 72 MET CA C 106 56.500 54.435 2.065 1
1 580 . 9 1 1 A 72 72 MET CB C 106 34.892 38.401 -3.509 1
1 581 . 9 1 1 A 72 72 MET N N 106 119.949 123.884 -3.935 1
1 582 . 9 1 1 A 73 73 ARG H H 107 8.266 8.605 -0.339 1
1 583 . 9 1 1 A 73 73 ARG HA H 107 4.075 5.166 -1.091 1
1 585 . 9 1 1 A 73 73 ARG C C 107 172.995 174.619 -1.624 1
1 586 . 9 1 1 A 73 73 ARG CA C 107 53.348 54.613 -1.265 1
1 587 . 9 1 1 A 73 73 ARG CB C 107 31.579 34.154 -2.575 1
1 588 . 9 1 1 A 73 73 ARG N N 107 112.423 121.725 -9.302 1
1 589 . 9 1 1 A 74 74 VAL H H 108 8.371 8.111 0.260 1
1 590 . 9 1 1 A 74 74 VAL HA H 108 4.954 4.674 0.280 1
1 598 . 9 1 1 A 74 74 VAL C C 108 173.137 174.355 -1.218 1
1 599 . 9 1 1 A 74 74 VAL CA C 108 58.400 60.418 -2.018 1
1 600 . 9 1 1 A 74 74 VAL CB C 108 35.700 35.608 0.092 1
1 603 . 9 1 1 A 74 74 VAL N N 108 117.751 125.642 -7.891 1
1 604 . 9 1 1 A 75 75 ILE H H 109 8.644 8.353 0.291 1
1 605 . 9 1 1 A 75 75 ILE HA H 109 4.772 4.650 0.122 1
1 610 . 9 1 1 A 75 75 ILE C C 109 176.377 173.904 2.473 1
1 611 . 9 1 1 A 75 75 ILE CA C 109 57.500 59.292 -1.792 1
1 612 . 9 1 1 A 75 75 ILE CB C 109 35.550 39.958 -4.408 1
1 614 . 9 1 1 A 75 75 ILE N N 109 122.741 122.575 0.166 1
1 615 . 9 1 1 A 76 76 TYR H H 110 8.928 7.472 1.456 1
1 616 . 9 1 1 A 76 76 TYR HA H 110 4.873 4.664 0.209 1
1 621 . 9 1 1 A 76 76 TYR C C 110 173.400 175.572 -2.172 1
1 622 . 9 1 1 A 76 76 TYR CA C 110 54.699 56.847 -2.148 1
1 623 . 9 1 1 A 76 76 TYR CB C 110 40.392 38.617 1.775 1
1 626 . 9 1 1 A 76 76 TYR N N 110 129.091 126.766 2.325 1
1 627 . 9 1 1 A 77 77 ARG H H 111 9.206 9.492 -0.286 1
1 628 . 9 1 1 A 77 77 ARG HA H 111 3.537 3.925 -0.388 1
1 633 . 9 1 1 A 77 77 ARG C C 111 176.065 176.250 -0.185 1
1 634 . 9 1 1 A 77 77 ARG CA C 111 56.490 57.053 -0.563 1
1 635 . 9 1 1 A 77 77 ARG CB C 111 27.448 28.005 -0.557 1
1 636 . 9 1 1 A 77 77 ARG N N 111 126.774 126.368 0.406 1
1 637 . 9 1 1 A 78 78 GLY H H 112 8.155 8.334 -0.179 1
1 638 . 9 1 1 A 78 78 GLY HA2 H 112 4.040 3.746 0.294 1
1 639 . 9 1 1 A 78 78 GLY HA3 H 112 3.540 3.784 -0.244 1
1 640 . 9 1 1 A 78 78 GLY C C 112 173.810 173.402 0.408 1
1 641 . 9 1 1 A 78 78 GLY CA C 112 45.284 45.372 -0.088 1
1 642 . 9 1 1 A 78 78 GLY N N 112 102.172 104.981 -2.809 1
1 643 . 9 1 1 A 79 79 LYS HA H 113 3.910 4.565 -0.655 1
1 644 . 9 1 1 A 79 79 LYS C C 113 174.750 175.507 -0.757 1
1 645 . 9 1 1 A 79 79 LYS CA C 113 53.808 54.819 -1.011 1
1 646 . 9 1 1 A 79 79 LYS CB C 113 33.298 34.023 -0.725 1
1 647 . 9 1 1 A 80 80 ILE H H 114 8.484 8.480 0.004 1
1 648 . 9 1 1 A 80 80 ILE HA H 114 3.860 4.199 -0.339 1
1 653 . 9 1 1 A 80 80 ILE C C 114 174.732 175.398 -0.666 1
1 654 . 9 1 1 A 80 80 ILE CA C 114 61.130 60.541 0.589 1
1 655 . 9 1 1 A 80 80 ILE CB C 114 37.740 38.109 -0.369 1
1 657 . 9 1 1 A 80 80 ILE N N 114 121.186 122.911 -1.725 1
1 658 . 9 1 1 A 81 81 VAL H H 115 9.395 7.943 1.452 1
1 659 . 9 1 1 A 81 81 VAL HA H 115 4.645 4.639 0.006 1
1 664 . 9 1 1 A 81 81 VAL C C 115 174.934 173.468 1.466 1
1 665 . 9 1 1 A 81 81 VAL CA C 115 60.401 60.406 -0.005 1
1 666 . 9 1 1 A 81 81 VAL CB C 115 32.142 35.610 -3.468 1
1 668 . 9 1 1 A 81 81 VAL N N 115 129.212 126.439 2.773 1
1 669 . 9 1 1 A 82 82 THR H H 116 8.661 8.920 -0.259 1
1 670 . 9 1 1 A 82 82 THR HA H 116 4.483 5.282 -0.799 1
1 673 . 9 1 1 A 82 82 THR C C 116 175.000 172.988 2.012 1
1 674 . 9 1 1 A 82 82 THR CA C 116 59.911 59.694 0.217 1
1 675 . 9 1 1 A 82 82 THR CB C 116 69.844 71.338 -1.494 1
1 677 . 9 1 1 A 82 82 THR N N 116 120.129 122.676 -2.547 1
1 678 . 9 1 1 A 83 83 PHE H H 117 9.153 8.909 0.244 1
1 679 . 9 1 1 A 83 83 PHE HA H 117 5.003 5.311 -0.308 1
1 681 . 9 1 1 A 83 83 PHE C C 117 177.126 172.901 4.225 1
1 682 . 9 1 1 A 83 83 PHE CA C 117 55.003 55.797 -0.794 1
1 683 . 9 1 1 A 83 83 PHE CB C 117 37.018 40.873 -3.855 1
1 684 . 9 1 1 A 83 83 PHE N N 117 123.251 121.190 2.061 1
1 685 . 9 1 1 A 84 84 ILE H H 118 8.882 8.741 0.141 1
1 686 . 9 1 1 A 84 84 ILE HA H 118 4.320 5.161 -0.841 1
1 695 . 9 1 1 A 84 84 ILE C C 118 175.958 175.720 0.238 1
1 696 . 9 1 1 A 84 84 ILE CA C 118 60.275 59.231 1.044 1
1 697 . 9 1 1 A 84 84 ILE CB C 118 37.057 40.068 -3.011 1
1 700 . 9 1 1 A 84 84 ILE N N 118 122.450 117.026 5.424 1
1 701 . 9 1 1 A 85 85 GLY H H 119 8.198 8.548 -0.350 1
1 702 . 9 1 1 A 85 85 GLY HA2 H 119 4.050 4.179 -0.129 1
1 703 . 9 1 1 A 85 85 GLY HA3 H 119 3.900 4.264 -0.364 1
1 704 . 9 1 1 A 85 85 GLY C C 119 172.376 171.803 0.573 1
1 705 . 9 1 1 A 85 85 GLY CA C 119 44.033 45.570 -1.537 1
1 706 . 9 1 1 A 85 85 GLY N N 119 112.995 109.963 3.032 1
1 707 . 9 1 1 A 86 86 ASP H H 120 8.132 8.153 -0.021 1
1 708 . 9 1 1 A 86 86 ASP HA H 120 4.938 5.229 -0.291 1
1 711 . 9 1 1 A 86 86 ASP C C 120 175.418 174.504 0.914 1
1 712 . 9 1 1 A 86 86 ASP CA C 120 52.656 50.855 1.801 1
1 713 . 9 1 1 A 86 86 ASP CB C 120 40.163 44.668 -4.505 1
1 714 . 9 1 1 A 86 86 ASP N N 120 119.130 119.699 -0.569 1
1 715 . 9 1 1 A 87 87 PRO HA H 121 4.470 4.785 -0.315 1
1 719 . 9 1 1 A 87 87 PRO CA C 121 175.750 62.313 113.437 1
1 720 . 9 1 1 A 87 87 PRO CB C 121 62.414 32.578 29.836 1
1 723 . 9 1 1 A 87 87 PRO N N 121 49.700 138.554 -88.854 1
1 724 . 9 1 1 A 88 88 VAL H H 122 8.707 8.259 0.448 1
1 725 . 9 1 1 A 88 88 VAL HA H 122 4.400 5.097 -0.697 1
1 733 . 9 1 1 A 88 88 VAL C C 122 174.250 174.585 -0.335 1
1 734 . 9 1 1 A 88 88 VAL CA C 122 60.598 58.783 1.815 1
1 735 . 9 1 1 A 88 88 VAL CB C 122 34.847 34.869 -0.022 1
1 738 . 9 1 1 A 88 88 VAL N N 122 121.987 115.943 6.044 1
1 739 . 9 1 1 A 89 89 ASP H H 123 8.437 8.522 -0.085 1
1 740 . 9 1 1 A 89 89 ASP HA H 123 5.068 5.167 -0.099 1
1 743 . 9 1 1 A 89 89 ASP C C 123 177.435 176.295 1.140 1
1 744 . 9 1 1 A 89 89 ASP CA C 123 52.751 52.896 -0.145 1
1 745 . 9 1 1 A 89 89 ASP CB C 123 40.191 42.329 -2.138 1
1 746 . 9 1 1 A 89 89 ASP N N 123 125.856 123.595 2.261 1
1 747 . 9 1 1 A 90 90 LEU H H 124 8.793 8.690 0.103 1
1 748 . 9 1 1 A 90 90 LEU HA H 124 4.047 4.368 -0.321 1
1 749 . 9 1 1 A 90 90 LEU CA C 124 56.836 55.885 0.951 1
1 750 . 9 1 1 A 90 90 LEU CB C 124 41.301 43.004 -1.703 1
1 751 . 9 1 1 A 90 90 LEU N N 124 128.178 123.670 4.508 1
1 752 . 9 1 1 A 91 91 SER H H 125 8.927 8.304 0.623 1
1 753 . 9 1 1 A 91 91 SER HA H 125 4.287 4.463 -0.176 1
1 754 . 9 1 1 A 91 91 SER C C 125 173.984 174.330 -0.346 1
1 755 . 9 1 1 A 91 91 SER CA C 125 58.498 60.227 -1.729 1
1 756 . 9 1 1 A 91 91 SER CB C 125 63.600 62.859 0.741 1
1 757 . 9 1 1 A 91 91 SER N N 125 115.226 114.538 0.688 1
1 758 . 9 1 1 A 92 92 GLY H H 126 8.250 8.284 -0.034 1
1 759 . 9 1 1 A 92 92 GLY HA2 H 126 3.950 3.869 0.081 1
1 760 . 9 1 1 A 92 92 GLY HA3 H 126 3.670 3.880 -0.210 1
1 761 . 9 1 1 A 92 92 GLY C C 126 174.700 173.220 1.480 1
1 762 . 9 1 1 A 92 92 GLY CA C 126 45.900 46.489 -0.589 1
1 763 . 9 1 1 A 92 92 GLY N N 126 109.395 108.122 1.273 1
1 764 . 9 1 1 A 94 94 GLN C C 128 174.459 175.585 -1.126 1
1 765 . 9 1 1 A 94 94 GLN CA C 128 56.434 55.551 0.883 1
1 766 . 9 1 1 A 94 94 GLN CB C 128 25.491 27.847 -2.356 1
1 767 . 9 1 1 A 95 95 GLU H H 129 8.474 8.314 0.160 1
1 768 . 9 1 1 A 95 95 GLU HA H 129 4.596 3.615 0.981 1
1 772 . 9 1 1 A 95 95 GLU C C 129 177.559 174.528 3.031 1
1 773 . 9 1 1 A 95 95 GLU CA C 129 57.183 57.280 -0.097 1
1 774 . 9 1 1 A 95 95 GLU CB C 129 31.432 26.921 4.511 1
1 775 . 9 1 1 A 95 95 GLU N N 129 115.145 113.785 1.360 1
1 776 . 9 1 1 A 96 96 ILE H H 130 9.393 7.678 1.715 1
1 777 . 9 1 1 A 96 96 ILE HA H 130 4.660 4.967 -0.307 1
1 782 . 9 1 1 A 96 96 ILE C C 130 173.821 174.835 -1.014 1
1 783 . 9 1 1 A 96 96 ILE CA C 130 59.481 59.537 -0.056 1
1 784 . 9 1 1 A 96 96 ILE CB C 130 41.386 40.731 0.655 1
1 785 . 9 1 1 A 96 96 ILE N N 130 124.603 119.479 5.124 1
1 786 . 9 1 1 A 97 97 THR H H 131 9.341 8.863 0.478 1
1 787 . 9 1 1 A 97 97 THR HA H 131 5.135 5.393 -0.258 1
1 790 . 9 1 1 A 97 97 THR C C 131 172.742 174.001 -1.259 1
1 791 . 9 1 1 A 97 97 THR CA C 131 62.458 60.781 1.677 1
1 792 . 9 1 1 A 97 97 THR CB C 131 69.995 70.446 -0.451 1
1 794 . 9 1 1 A 97 97 THR N N 131 125.280 121.504 3.776 1
1 795 . 9 1 1 A 98 98 ARG H H 132 9.286 8.604 0.682 1
1 796 . 9 1 1 A 98 98 ARG HA H 132 5.263 5.307 -0.044 1
1 802 . 9 1 1 A 98 98 ARG C C 132 175.462 174.973 0.489 1
1 803 . 9 1 1 A 98 98 ARG CA C 132 53.122 54.738 -1.616 1
1 804 . 9 1 1 A 98 98 ARG CB C 132 32.555 33.280 -0.725 1
1 805 . 9 1 1 A 98 98 ARG N N 132 126.525 123.438 3.087 1
1 806 . 9 1 1 A 99 99 ILE H H 133 9.338 8.778 0.560 1
1 807 . 9 1 1 A 99 99 ILE HA H 133 3.959 4.940 -0.981 1
1 816 . 9 1 1 A 99 99 ILE C C 133 173.860 173.069 0.791 1
1 817 . 9 1 1 A 99 99 ILE CA C 133 59.719 59.009 0.710 1
1 818 . 9 1 1 A 99 99 ILE CB C 133 41.429 42.287 -0.858 1
1 821 . 9 1 1 A 99 99 ILE N N 133 129.483 121.378 8.105 1
1 822 . 9 1 1 A 100 100 LYS H H 134 8.457 8.958 -0.501 1
1 823 . 9 1 1 A 100 100 LYS HA H 134 4.990 5.331 -0.341 1
1 824 . 9 1 1 A 100 100 LYS C C 134 175.750 175.290 0.460 1
1 825 . 9 1 1 A 100 100 LYS CA C 134 54.548 54.333 0.215 1
1 826 . 9 1 1 A 100 100 LYS CB C 134 32.800 35.870 -3.070 1
1 827 . 9 1 1 A 100 100 LYS N N 134 128.506 128.322 0.184 1
1 828 . 9 1 1 A 101 101 GLY H H 135 8.968 8.279 0.689 1
1 829 . 9 1 1 A 101 101 GLY HA2 H 135 5.350 4.411 0.939 1
1 830 . 9 1 1 A 101 101 GLY HA3 H 135 3.290 4.484 -1.194 1
1 831 . 9 1 1 A 101 101 GLY C C 135 171.558 172.107 -0.549 1
1 832 . 9 1 1 A 101 101 GLY CA C 135 44.286 45.026 -0.740 1
1 833 . 9 1 1 A 101 101 GLY N N 135 110.167 111.990 -1.823 1
1 834 . 9 1 1 A 102 102 LYS H H 136 9.158 8.748 0.410 1
1 835 . 9 1 1 A 102 102 LYS C C 136 174.516 174.331 0.185 1
1 836 . 9 1 1 A 102 102 LYS CA C 136 53.781 54.368 -0.587 1
1 837 . 9 1 1 A 102 102 LYS CB C 136 34.807 37.337 -2.530 1
1 838 . 9 1 1 A 102 102 LYS N N 136 119.838 117.479 2.359 1
1 839 . 9 1 1 A 103 103 GLU H H 137 8.711 9.209 -0.498 1
1 840 . 9 1 1 A 103 103 GLU HA H 137 4.709 5.450 -0.741 1
1 841 . 9 1 1 A 103 103 GLU C C 137 176.875 174.943 1.932 1
1 842 . 9 1 1 A 103 103 GLU CA C 137 56.833 55.223 1.610 1
1 843 . 9 1 1 A 103 103 GLU CB C 137 30.640 32.547 -1.907 1
1 844 . 9 1 1 A 103 103 GLU N N 137 124.293 120.278 4.015 1
1 845 . 9 1 1 A 104 104 ASP H H 138 9.334 8.972 0.362 1
1 846 . 9 1 1 A 104 104 ASP HA H 138 4.954 5.263 -0.309 1
1 849 . 9 1 1 A 104 104 ASP C C 138 175.340 175.452 -0.112 1
1 850 . 9 1 1 A 104 104 ASP CA C 138 53.107 53.296 -0.189 1
1 851 . 9 1 1 A 104 104 ASP CB C 138 42.374 45.553 -3.179 1
1 852 . 9 1 1 A 104 104 ASP N N 138 127.542 125.305 2.237 1
1 853 . 9 1 1 A 105 105 GLY H H 139 7.732 8.413 -0.681 1
1 854 . 9 1 1 A 105 105 GLY HA2 H 139 4.360 4.429 -0.069 1
1 855 . 9 1 1 A 105 105 GLY HA3 H 139 3.800 4.432 -0.632 1
1 856 . 9 1 1 A 105 105 GLY C C 139 172.374 172.336 0.038 1
1 857 . 9 1 1 A 105 105 GLY CA C 139 43.800 45.859 -2.059 1
1 858 . 9 1 1 A 105 105 GLY N N 139 106.466 107.799 -1.333 1
1 859 . 9 1 1 A 106 106 ALA H H 140 8.191 8.455 -0.264 1
1 860 . 9 1 1 A 106 106 ALA HA H 140 4.564 5.130 -0.566 1
1 864 . 9 1 1 A 106 106 ALA C C 140 177.004 175.155 1.849 1
1 865 . 9 1 1 A 106 106 ALA CA C 140 51.406 51.514 -0.108 1
1 866 . 9 1 1 A 106 106 ALA CB C 140 19.500 23.397 -3.897 1
1 867 . 9 1 1 A 106 106 ALA N N 140 120.674 122.187 -1.513 1
1 868 . 9 1 1 A 107 107 TYR H H 141 8.458 8.721 -0.263 1
1 869 . 9 1 1 A 107 107 TYR HA H 141 4.578 4.942 -0.364 1
1 873 . 9 1 1 A 107 107 TYR C C 141 174.746 174.077 0.669 1
1 874 . 9 1 1 A 107 107 TYR CA C 141 56.554 57.901 -1.347 1
1 875 . 9 1 1 A 107 107 TYR CB C 141 38.649 41.228 -2.579 1
1 878 . 9 1 1 A 107 107 TYR N N 141 121.312 119.649 1.663 1
1 879 . 9 1 1 A 108 108 VAL H H 142 7.941 7.838 0.103 1
1 880 . 9 1 1 A 108 108 VAL HA H 142 4.008 4.266 -0.258 1
1 888 . 9 1 1 A 108 108 VAL C C 142 174.701 175.483 -0.782 1
1 889 . 9 1 1 A 108 108 VAL CA C 142 60.912 61.741 -0.829 1
1 890 . 9 1 1 A 108 108 VAL CB C 142 32.065 29.376 2.689 1
1 893 . 9 1 1 A 108 108 VAL N N 142 125.257 123.547 1.710 1
1 9 . 10 1 1 A 2 2 TYR H H 36 7.537 7.733 -0.196 1
1 10 . 10 1 1 A 2 2 TYR HA H 36 3.945 4.770 -0.825 1
1 15 . 10 1 1 A 2 2 TYR C C 36 176.000 173.123 2.877 1
1 16 . 10 1 1 A 2 2 TYR CA C 36 57.871 57.807 0.064 1
1 17 . 10 1 1 A 2 2 TYR CB C 36 37.248 40.387 -3.139 1
1 18 . 10 1 1 A 2 2 TYR N N 36 117.048 119.676 -2.628 1
1 19 . 10 1 1 A 3 3 GLU H H 37 7.718 7.489 0.229 1
1 20 . 10 1 1 A 3 3 GLU HA H 37 4.025 4.221 -0.196 1
1 24 . 10 1 1 A 3 3 GLU C C 37 176.100 176.342 -0.242 1
1 25 . 10 1 1 A 3 3 GLU CA C 37 56.788 54.925 1.863 1
1 26 . 10 1 1 A 3 3 GLU CB C 37 29.527 27.706 1.821 1
1 28 . 10 1 1 A 3 3 GLU N N 37 118.925 122.729 -3.804 1
1 29 . 10 1 1 A 4 4 GLU H H 38 7.866 8.406 -0.540 1
1 30 . 10 1 1 A 4 4 GLU HA H 38 4.215 4.564 -0.349 1
1 35 . 10 1 1 A 4 4 GLU C C 38 176.205 176.619 -0.414 1
1 36 . 10 1 1 A 4 4 GLU CA C 38 55.595 55.767 -0.172 1
1 37 . 10 1 1 A 4 4 GLU CB C 38 29.162 30.645 -1.483 1
1 38 . 10 1 1 A 4 4 GLU N N 38 116.623 122.292 -5.669 1
1 39 . 10 1 1 A 5 5 PHE H H 39 8.087 8.135 -0.048 1
1 40 . 10 1 1 A 5 5 PHE HA H 39 4.780 4.694 0.086 1
1 46 . 10 1 1 A 5 5 PHE C C 39 176.758 175.977 0.781 1
1 47 . 10 1 1 A 5 5 PHE CA C 39 54.914 56.504 -1.590 1
1 48 . 10 1 1 A 5 5 PHE CB C 39 36.531 37.589 -1.058 1
1 49 . 10 1 1 A 5 5 PHE N N 39 121.852 119.923 1.929 1
1 50 . 10 1 1 A 6 6 ARG HA H 40 4.515 4.679 -0.164 1
1 51 . 10 1 1 A 6 6 ARG C C 40 176.376 175.565 0.811 1
1 52 . 10 1 1 A 6 6 ARG CA C 40 56.288 55.427 0.861 1
1 53 . 10 1 1 A 6 6 ARG CB C 40 31.100 30.566 0.534 1
1 54 . 10 1 1 A 7 7 ASP H H 41 8.851 7.714 1.137 1
1 55 . 10 1 1 A 7 7 ASP HA H 41 5.182 5.074 0.108 1
1 57 . 10 1 1 A 7 7 ASP C C 41 175.379 175.032 0.347 1
1 58 . 10 1 1 A 7 7 ASP CA C 41 53.324 52.793 0.531 1
1 59 . 10 1 1 A 7 7 ASP CB C 41 44.292 43.337 0.955 1
1 60 . 10 1 1 A 7 7 ASP N N 41 119.795 120.294 -0.499 1
1 61 . 10 1 1 A 8 8 VAL H H 42 8.580 8.379 0.201 1
1 62 . 10 1 1 A 8 8 VAL HA H 42 4.856 4.510 0.346 1
1 70 . 10 1 1 A 8 8 VAL C C 42 175.170 175.104 0.066 1
1 71 . 10 1 1 A 8 8 VAL CA C 42 61.398 61.981 -0.583 1
1 72 . 10 1 1 A 8 8 VAL CB C 42 33.643 32.725 0.918 1
1 75 . 10 1 1 A 8 8 VAL N N 42 120.042 119.661 0.381 1
1 76 . 10 1 1 A 9 9 ILE H H 43 8.765 9.146 -0.381 1
1 77 . 10 1 1 A 9 9 ILE HA H 43 4.939 4.915 0.024 1
1 79 . 10 1 1 A 9 9 ILE C C 43 173.755 174.740 -0.985 1
1 80 . 10 1 1 A 9 9 ILE CA C 43 58.528 59.410 -0.882 1
1 81 . 10 1 1 A 9 9 ILE CB C 43 40.437 41.729 -1.292 1
1 82 . 10 1 1 A 9 9 ILE N N 43 117.778 127.259 -9.481 1
1 83 . 10 1 1 A 10 10 THR H H 44 7.834 8.174 -0.340 1
1 84 . 10 1 1 A 10 10 THR HA H 44 4.709 4.663 0.046 1
1 87 . 10 1 1 A 10 10 THR C C 44 173.691 173.406 0.285 1
1 88 . 10 1 1 A 10 10 THR CA C 44 61.662 61.448 0.214 1
1 89 . 10 1 1 A 10 10 THR CB C 44 70.906 69.827 1.079 1
1 91 . 10 1 1 A 10 10 THR N N 44 116.613 121.421 -4.808 1
1 92 . 10 1 1 A 11 11 PHE H H 45 8.821 8.558 0.263 1
1 93 . 10 1 1 A 11 11 PHE HA H 45 4.807 5.059 -0.252 1
1 94 . 10 1 1 A 11 11 PHE C C 45 175.619 175.419 0.200 1
1 95 . 10 1 1 A 11 11 PHE CA C 45 57.779 56.506 1.273 1
1 96 . 10 1 1 A 11 11 PHE CB C 45 39.649 40.294 -0.645 1
1 97 . 10 1 1 A 11 11 PHE N N 45 125.155 126.117 -0.962 1
1 98 . 10 1 1 A 12 12 GLN H H 46 9.103 8.914 0.189 1
1 99 . 10 1 1 A 12 12 GLN HA H 46 5.573 5.282 0.291 1
1 103 . 10 1 1 A 12 12 GLN C C 46 175.011 173.841 1.170 1
1 104 . 10 1 1 A 12 12 GLN CA C 46 54.423 54.019 0.404 1
1 105 . 10 1 1 A 12 12 GLN CB C 46 34.467 33.241 1.226 1
1 106 . 10 1 1 A 12 12 GLN N N 46 119.069 120.640 -1.571 1
1 107 . 10 1 1 A 13 13 SER H H 47 8.730 8.759 -0.029 1
1 108 . 10 1 1 A 13 13 SER HA H 47 5.229 5.286 -0.057 1
1 110 . 10 1 1 A 13 13 SER C C 47 171.559 171.953 -0.394 1
1 111 . 10 1 1 A 13 13 SER CA C 47 56.514 56.724 -0.210 1
1 112 . 10 1 1 A 13 13 SER CB C 47 66.075 66.414 -0.339 1
1 113 . 10 1 1 A 13 13 SER N N 47 114.734 115.482 -0.748 1
1 114 . 10 1 1 A 14 14 TYR H H 48 8.544 8.677 -0.133 1
1 115 . 10 1 1 A 14 14 TYR HA H 48 4.256 4.795 -0.539 1
1 120 . 10 1 1 A 14 14 TYR C C 48 175.437 173.726 1.711 1
1 121 . 10 1 1 A 14 14 TYR CA C 48 56.137 55.478 0.659 1
1 122 . 10 1 1 A 14 14 TYR CB C 48 36.242 40.474 -4.232 1
1 125 . 10 1 1 A 14 14 TYR N N 48 126.962 126.222 0.740 1
1 126 . 10 1 1 A 15 15 VAL H H 49 8.537 9.232 -0.695 1
1 127 . 10 1 1 A 15 15 VAL HA H 49 4.360 4.643 -0.283 1
1 132 . 10 1 1 A 15 15 VAL C C 49 174.600 174.847 -0.247 1
1 133 . 10 1 1 A 15 15 VAL CA C 49 62.600 60.324 2.276 1
1 134 . 10 1 1 A 15 15 VAL CB C 49 35.100 35.098 0.002 1
1 136 . 10 1 1 A 15 15 VAL N N 49 123.837 127.987 -4.150 1
1 137 . 10 1 1 A 16 16 GLU H H 50 8.296 8.601 -0.305 1
1 138 . 10 1 1 A 16 16 GLU HA H 50 3.702 4.921 -1.219 1
1 142 . 10 1 1 A 16 16 GLU C C 50 175.947 175.450 0.497 1
1 143 . 10 1 1 A 16 16 GLU CA C 50 55.400 55.872 -0.472 1
1 144 . 10 1 1 A 16 16 GLU CB C 50 30.100 30.503 -0.403 1
1 145 . 10 1 1 A 16 16 GLU N N 50 124.989 125.347 -0.358 1
1 146 . 10 1 1 A 17 17 GLN H H 51 8.529 8.394 0.135 1
1 147 . 10 1 1 A 17 17 GLN HA H 51 4.415 5.029 -0.614 1
1 151 . 10 1 1 A 17 17 GLN C C 51 175.122 173.585 1.537 1
1 152 . 10 1 1 A 17 17 GLN CA C 51 54.060 54.775 -0.715 1
1 153 . 10 1 1 A 17 17 GLN CB C 51 29.943 32.506 -2.563 1
1 155 . 10 1 1 A 17 17 GLN N N 51 124.656 122.506 2.150 1
1 156 . 10 1 1 A 18 18 SER HA H 52 4.420 4.891 -0.471 1
1 157 . 10 1 1 A 18 18 SER C C 52 173.505 173.029 0.476 1
1 158 . 10 1 1 A 18 18 SER CA C 52 58.279 58.162 0.117 1
1 159 . 10 1 1 A 18 18 SER CB C 52 63.835 66.082 -2.247 1
1 160 . 10 1 1 A 19 19 ASN H H 53 8.109 9.013 -0.904 1
1 161 . 10 1 1 A 19 19 ASN HA H 53 4.399 4.779 -0.380 1
1 164 . 10 1 1 A 19 19 ASN C C 53 179.837 175.111 4.726 1
1 165 . 10 1 1 A 19 19 ASN CA C 53 54.664 52.161 2.503 1
1 166 . 10 1 1 A 19 19 ASN CB C 53 39.983 37.006 2.977 1
1 167 . 10 1 1 A 19 19 ASN N N 53 126.199 125.076 1.123 1
1 168 . 10 1 1 A 20 20 GLY H H 54 8.166 7.630 0.536 1
1 169 . 10 1 1 A 20 20 GLY HA2 H 54 3.911 4.137 -0.226 1
1 170 . 10 1 1 A 20 20 GLY C C 54 174.876 171.703 3.173 1
1 171 . 10 1 1 A 20 20 GLY CA C 54 45.206 46.111 -0.905 1
1 172 . 10 1 1 A 20 20 GLY N N 54 113.067 106.987 6.080 1
1 173 . 10 1 1 A 22 22 GLY CA C 56 45.279 45.603 -0.324 1
1 174 . 10 1 1 A 23 23 GLY H H 57 8.235 8.473 -0.238 1
1 175 . 10 1 1 A 23 23 GLY HA2 H 57 3.929 3.991 -0.062 1
1 176 . 10 1 1 A 23 23 GLY C C 57 173.796 174.935 -1.139 1
1 177 . 10 1 1 A 23 23 GLY CA C 57 45.348 45.273 0.075 1
1 178 . 10 1 1 A 23 23 GLY N N 57 108.389 107.588 0.801 1
1 179 . 10 1 1 A 24 24 LYS HA H 58 4.804 4.261 0.543 1
1 180 . 10 1 1 A 24 24 LYS C C 58 175.908 175.288 0.620 1
1 181 . 10 1 1 A 24 24 LYS CA C 58 54.833 55.877 -1.044 1
1 182 . 10 1 1 A 24 24 LYS CB C 58 34.402 33.411 0.991 1
1 183 . 10 1 1 A 25 25 THR H H 59 8.413 7.332 1.081 1
1 184 . 10 1 1 A 25 25 THR HA H 59 4.482 4.257 0.225 1
1 187 . 10 1 1 A 25 25 THR C C 59 171.934 172.535 -0.601 1
1 188 . 10 1 1 A 25 25 THR CA C 59 60.144 61.362 -1.218 1
1 189 . 10 1 1 A 25 25 THR CB C 59 71.035 68.076 2.959 1
1 191 . 10 1 1 A 25 25 THR N N 59 115.947 115.246 0.701 1
1 192 . 10 1 1 A 26 26 TYR H H 60 8.182 8.639 -0.457 1
1 193 . 10 1 1 A 26 26 TYR HA H 60 4.883 5.090 -0.207 1
1 198 . 10 1 1 A 26 26 TYR C C 60 173.593 174.914 -1.321 1
1 199 . 10 1 1 A 26 26 TYR CA C 60 54.043 55.706 -1.663 1
1 200 . 10 1 1 A 26 26 TYR CB C 60 40.100 39.784 0.316 1
1 202 . 10 1 1 A 26 26 TYR N N 60 121.985 126.500 -4.515 1
1 203 . 10 1 1 A 27 27 LYS H H 61 8.385 8.684 -0.299 1
1 204 . 10 1 1 A 27 27 LYS HA H 61 4.563 5.053 -0.490 1
1 205 . 10 1 1 A 27 27 LYS C C 61 174.186 174.636 -0.450 1
1 206 . 10 1 1 A 27 27 LYS CA C 61 54.589 54.660 -0.071 1
1 207 . 10 1 1 A 27 27 LYS CB C 61 35.801 36.058 -0.257 1
1 208 . 10 1 1 A 27 27 LYS N N 61 120.203 119.677 0.526 1
1 209 . 10 1 1 A 28 28 TRP H H 62 8.524 8.848 -0.324 1
1 210 . 10 1 1 A 28 28 TRP HA H 62 5.361 5.240 0.121 1
1 215 . 10 1 1 A 28 28 TRP C C 62 176.934 176.487 0.447 1
1 216 . 10 1 1 A 28 28 TRP CA C 62 56.499 57.023 -0.524 1
1 217 . 10 1 1 A 28 28 TRP CB C 62 29.300 30.987 -1.687 1
1 218 . 10 1 1 A 28 28 TRP N N 62 122.913 122.560 0.353 1
1 220 . 10 1 1 A 29 29 VAL H H 63 9.470 8.616 0.854 1
1 221 . 10 1 1 A 29 29 VAL HA H 63 4.626 4.917 -0.291 1
1 229 . 10 1 1 A 29 29 VAL C C 63 175.264 174.308 0.956 1
1 230 . 10 1 1 A 29 29 VAL CA C 63 59.163 59.453 -0.290 1
1 231 . 10 1 1 A 29 29 VAL CB C 63 34.759 36.078 -1.319 1
1 234 . 10 1 1 A 29 29 VAL N N 63 120.454 117.717 2.737 1
1 235 . 10 1 1 A 30 30 ASP H H 64 8.576 8.856 -0.280 1
1 236 . 10 1 1 A 30 30 ASP HA H 64 4.386 4.802 -0.416 1
1 237 . 10 1 1 A 30 30 ASP C C 64 174.186 176.184 -1.998 1
1 238 . 10 1 1 A 30 30 ASP CA C 64 55.907 53.854 2.053 1
1 239 . 10 1 1 A 30 30 ASP CB C 64 39.942 41.758 -1.816 1
1 240 . 10 1 1 A 30 30 ASP N N 64 123.588 122.090 1.498 1
1 241 . 10 1 1 A 31 31 GLU H H 65 9.482 9.459 0.023 1
1 242 . 10 1 1 A 31 31 GLU HA H 65 4.674 4.481 0.193 1
1 246 . 10 1 1 A 31 31 GLU C C 65 176.000 176.338 -0.338 1
1 247 . 10 1 1 A 31 31 GLU CA C 65 57.263 58.096 -0.833 1
1 248 . 10 1 1 A 31 31 GLU CB C 65 30.200 31.566 -1.366 1
1 250 . 10 1 1 A 31 31 GLU N N 65 124.008 123.865 0.143 1
1 251 . 10 1 1 A 32 32 PHE H H 66 7.257 7.507 -0.250 1
1 252 . 10 1 1 A 32 32 PHE HA H 66 4.940 5.225 -0.285 1
1 254 . 10 1 1 A 32 32 PHE C C 66 172.742 172.969 -0.227 1
1 255 . 10 1 1 A 32 32 PHE CA C 66 56.316 56.597 -0.281 1
1 256 . 10 1 1 A 32 32 PHE CB C 66 38.948 40.861 -1.913 1
1 257 . 10 1 1 A 32 32 PHE N N 66 110.866 112.836 -1.970 1
1 258 . 10 1 1 A 33 33 THR H H 67 8.603 8.877 -0.274 1
1 259 . 10 1 1 A 33 33 THR HA H 67 5.377 5.054 0.323 1
1 262 . 10 1 1 A 33 33 THR C C 67 173.388 172.395 0.993 1
1 263 . 10 1 1 A 33 33 THR CA C 67 60.207 60.451 -0.244 1
1 264 . 10 1 1 A 33 33 THR CB C 67 71.620 71.557 0.063 1
1 266 . 10 1 1 A 33 33 THR N N 67 114.847 115.090 -0.243 1
1 267 . 10 1 1 A 34 34 ALA H H 68 9.185 8.413 0.772 1
1 268 . 10 1 1 A 34 34 ALA HA H 68 4.873 4.900 -0.027 1
1 272 . 10 1 1 A 34 34 ALA C C 68 174.999 175.791 -0.792 1
1 273 . 10 1 1 A 34 34 ALA CA C 68 50.660 51.450 -0.790 1
1 274 . 10 1 1 A 34 34 ALA CB C 68 23.911 23.727 0.184 1
1 275 . 10 1 1 A 34 34 ALA N N 68 125.817 128.741 -2.924 1
1 276 . 10 1 1 A 35 35 ALA H H 69 8.347 8.582 -0.235 1
1 277 . 10 1 1 A 35 35 ALA HA H 69 4.889 5.096 -0.207 1
1 281 . 10 1 1 A 35 35 ALA C C 69 176.937 176.758 0.179 1
1 282 . 10 1 1 A 35 35 ALA CA C 69 51.329 51.143 0.186 1
1 283 . 10 1 1 A 35 35 ALA CB C 69 19.210 20.251 -1.041 1
1 284 . 10 1 1 A 35 35 ALA N N 69 122.342 122.423 -0.081 1
1 285 . 10 1 1 A 36 36 ALA H H 70 8.468 8.875 -0.407 1
1 286 . 10 1 1 A 36 36 ALA HA H 70 4.996 4.823 0.173 1
1 290 . 10 1 1 A 36 36 ALA C C 70 175.102 175.189 -0.087 1
1 291 . 10 1 1 A 36 36 ALA CA C 70 50.876 51.687 -0.811 1
1 292 . 10 1 1 A 36 36 ALA CB C 70 23.556 23.136 0.420 1
1 293 . 10 1 1 A 36 36 ALA N N 70 120.267 124.844 -4.577 1
1 294 . 10 1 1 A 37 37 HIS H H 71 9.136 8.231 0.905 1
1 295 . 10 1 1 A 37 37 HIS HA H 71 5.343 5.154 0.189 1
1 298 . 10 1 1 A 37 37 HIS C C 71 174.002 173.135 0.867 1
1 299 . 10 1 1 A 37 37 HIS CA C 71 54.803 55.055 -0.252 1
1 300 . 10 1 1 A 37 37 HIS CB C 71 32.322 32.921 -0.599 1
1 301 . 10 1 1 A 37 37 HIS N N 71 119.360 119.055 0.305 1
1 302 . 10 1 1 A 38 38 VAL H H 72 8.557 8.375 0.182 1
1 303 . 10 1 1 A 38 38 VAL HA H 72 4.174 4.564 -0.390 1
1 311 . 10 1 1 A 38 38 VAL C C 72 174.000 174.647 -0.647 1
1 312 . 10 1 1 A 38 38 VAL CA C 72 61.587 61.616 -0.029 1
1 313 . 10 1 1 A 38 38 VAL CB C 72 31.381 33.213 -1.832 1
1 316 . 10 1 1 A 38 38 VAL N N 72 127.947 125.955 1.992 1
1 317 . 10 1 1 A 39 39 GLN H H 73 8.971 7.999 0.972 1
1 318 . 10 1 1 A 39 39 GLN HA H 73 5.019 4.492 0.527 1
1 321 . 10 1 1 A 39 39 GLN C C 73 173.260 172.844 0.416 1
1 322 . 10 1 1 A 39 39 GLN CA C 73 51.310 52.445 -1.135 1
1 323 . 10 1 1 A 39 39 GLN CB C 73 30.955 31.428 -0.473 1
1 324 . 10 1 1 A 39 39 GLN N N 73 127.985 124.877 3.108 1
1 325 . 10 1 1 A 40 40 PRO HA H 74 4.707 3.918 0.789 1
1 329 . 10 1 1 A 40 40 PRO C C 74 3.820 176.350 -172.530 1
1 330 . 10 1 1 A 40 40 PRO CA C 74 176.828 62.184 114.644 1
1 331 . 10 1 1 A 40 40 PRO CB C 74 62.215 31.835 30.380 1
1 333 . 10 1 1 A 40 40 PRO N N 74 50.800 134.798 -83.998 1
1 334 . 10 1 1 A 41 41 ILE H H 75 8.105 8.677 -0.572 1
1 335 . 10 1 1 A 41 41 ILE HA H 75 4.074 4.011 0.063 1
1 338 . 10 1 1 A 41 41 ILE C C 75 175.881 176.364 -0.483 1
1 339 . 10 1 1 A 41 41 ILE CA C 75 61.399 61.795 -0.396 1
1 340 . 10 1 1 A 41 41 ILE CB C 75 38.214 37.701 0.513 1
1 342 . 10 1 1 A 41 41 ILE N N 75 122.818 123.751 -0.933 1
1 343 . 10 1 1 A 43 43 GLN HA H 77 4.267 4.755 -0.488 1
1 344 . 10 1 1 A 43 43 GLN C C 77 176.255 175.847 0.408 1
1 345 . 10 1 1 A 43 43 GLN CA C 77 56.500 54.942 1.558 1
1 346 . 10 1 1 A 43 43 GLN CB C 77 29.100 30.705 -1.605 1
1 347 . 10 1 1 A 44 44 GLU H H 78 8.458 8.876 -0.418 1
1 348 . 10 1 1 A 44 44 GLU HA H 78 4.184 4.427 -0.243 1
1 351 . 10 1 1 A 44 44 GLU C C 78 177.000 176.560 0.440 1
1 352 . 10 1 1 A 44 44 GLU CA C 78 57.400 56.164 1.236 1
1 353 . 10 1 1 A 44 44 GLU CB C 78 29.148 29.547 -0.399 1
1 355 . 10 1 1 A 44 44 GLU N N 78 120.627 124.827 -4.200 1
1 356 . 10 1 1 A 45 45 GLU H H 79 8.283 8.232 0.051 1
1 357 . 10 1 1 A 45 45 GLU HA H 79 4.121 4.318 -0.197 1
1 360 . 10 1 1 A 45 45 GLU C C 79 176.972 176.233 0.739 1
1 361 . 10 1 1 A 45 45 GLU CA C 79 57.106 58.138 -1.032 1
1 362 . 10 1 1 A 45 45 GLU CB C 79 29.680 27.836 1.844 1
1 364 . 10 1 1 A 45 45 GLU N N 79 119.997 118.153 1.844 1
1 365 . 10 1 1 A 46 46 TYR H H 80 7.961 8.625 -0.664 1
1 366 . 10 1 1 A 46 46 TYR HA H 80 4.369 4.123 0.246 1
1 369 . 10 1 1 A 46 46 TYR C C 80 176.086 176.163 -0.077 1
1 370 . 10 1 1 A 46 46 TYR CA C 80 58.284 60.111 -1.827 1
1 371 . 10 1 1 A 46 46 TYR CB C 80 38.214 38.508 -0.294 1
1 372 . 10 1 1 A 46 46 TYR N N 80 119.582 120.919 -1.337 1
1 373 . 10 1 1 A 47 47 TYR H H 81 7.918 7.778 0.140 1
1 374 . 10 1 1 A 47 47 TYR HA H 81 4.399 4.506 -0.107 1
1 378 . 10 1 1 A 47 47 TYR C C 81 176.566 174.886 1.680 1
1 379 . 10 1 1 A 47 47 TYR CA C 81 58.479 59.263 -0.784 1
1 380 . 10 1 1 A 47 47 TYR CB C 81 38.042 40.076 -2.034 1
1 381 . 10 1 1 A 47 47 TYR N N 81 119.336 115.750 3.586 1
1 382 . 10 1 1 A 48 48 LYS HA H 82 4.090 4.647 -0.557 1
1 383 . 10 1 1 A 48 48 LYS C C 82 176.894 175.810 1.084 1
1 384 . 10 1 1 A 48 48 LYS CA C 82 56.786 55.004 1.782 1
1 385 . 10 1 1 A 48 48 LYS CB C 82 32.306 33.669 -1.363 1
1 386 . 10 1 1 A 49 49 ALA H H 83 7.999 8.519 -0.520 1
1 387 . 10 1 1 A 49 49 ALA HA H 83 4.178 4.639 -0.461 1
1 391 . 10 1 1 A 49 49 ALA C C 83 178.193 177.652 0.541 1
1 392 . 10 1 1 A 49 49 ALA CA C 83 52.825 51.396 1.429 1
1 393 . 10 1 1 A 49 49 ALA CB C 83 18.200 19.309 -1.109 1
1 394 . 10 1 1 A 49 49 ALA N N 83 122.394 127.108 -4.714 1
1 395 . 10 1 1 A 50 50 GLN H H 84 8.006 8.170 -0.164 1
1 396 . 10 1 1 A 50 50 GLN HA H 84 4.167 4.200 -0.033 1
1 400 . 10 1 1 A 50 50 GLN C C 84 176.200 174.857 1.343 1
1 401 . 10 1 1 A 50 50 GLN CA C 84 56.016 58.288 -2.272 1
1 402 . 10 1 1 A 50 50 GLN CB C 84 28.467 28.450 0.017 1
1 404 . 10 1 1 A 50 50 GLN N N 84 116.623 116.673 -0.050 1
1 405 . 10 1 1 A 51 51 GLN H H 85 8.085 7.947 0.138 1
1 406 . 10 1 1 A 51 51 GLN HA H 85 4.223 4.590 -0.367 1
1 410 . 10 1 1 A 51 51 GLN CA C 85 56.393 54.795 1.598 1
1 411 . 10 1 1 A 51 51 GLN CB C 85 28.600 28.767 -0.167 1
1 413 . 10 1 1 A 51 51 GLN N N 85 118.681 114.964 3.717 1
1 414 . 10 1 1 A 53 53 GLN HA H 87 4.268 4.582 -0.314 1
1 415 . 10 1 1 A 53 53 GLN C C 87 175.517 174.831 0.686 1
1 416 . 10 1 1 A 53 53 GLN CA C 87 55.821 55.172 0.649 1
1 417 . 10 1 1 A 53 53 GLN CB C 87 28.296 29.012 -0.716 1
1 418 . 10 1 1 A 54 54 THR H H 88 7.950 8.761 -0.811 1
1 419 . 10 1 1 A 54 54 THR HA H 88 4.540 4.834 -0.294 1
1 422 . 10 1 1 A 54 54 THR C C 88 172.445 171.747 0.698 1
1 423 . 10 1 1 A 54 54 THR CA C 88 59.184 58.395 0.789 1
1 424 . 10 1 1 A 54 54 THR CB C 88 69.534 72.130 -2.596 1
1 426 . 10 1 1 A 54 54 THR N N 88 116.337 120.185 -3.848 1
1 427 . 10 1 1 A 55 55 PRO HA H 89 4.410 4.794 -0.384 1
1 431 . 10 1 1 A 55 55 PRO C C 89 3.600 176.222 -172.622 1
1 432 . 10 1 1 A 55 55 PRO CA C 89 176.508 62.835 113.673 1
1 433 . 10 1 1 A 55 55 PRO CB C 89 62.325 31.843 30.482 1
1 436 . 10 1 1 A 55 55 PRO N N 89 50.400 139.272 -88.872 1
1 437 . 10 1 1 A 56 56 ILE H H 90 8.247 8.482 -0.235 1
1 438 . 10 1 1 A 56 56 ILE HA H 90 3.993 4.462 -0.469 1
1 443 . 10 1 1 A 56 56 ILE C C 90 175.132 175.449 -0.317 1
1 444 . 10 1 1 A 56 56 ILE CA C 90 60.718 60.347 0.371 1
1 445 . 10 1 1 A 56 56 ILE CB C 90 38.277 36.827 1.450 1
1 447 . 10 1 1 A 56 56 ILE N N 90 121.921 124.178 -2.257 1
1 448 . 10 1 1 A 57 57 GLY H H 91 7.820 8.185 -0.365 1
1 449 . 10 1 1 A 57 57 GLY HA2 H 91 4.550 4.327 0.223 1
1 450 . 10 1 1 A 57 57 GLY HA3 H 91 3.640 4.419 -0.779 1
1 451 . 10 1 1 A 57 57 GLY C C 91 172.184 171.318 0.866 1
1 452 . 10 1 1 A 57 57 GLY CA C 91 43.575 45.470 -1.895 1
1 453 . 10 1 1 A 57 57 GLY N N 91 110.987 113.138 -2.151 1
1 454 . 10 1 1 A 58 58 TYR H H 92 8.593 8.686 -0.093 1
1 455 . 10 1 1 A 58 58 TYR HA H 92 5.166 5.403 -0.237 1
1 460 . 10 1 1 A 58 58 TYR C C 92 175.122 174.867 0.255 1
1 461 . 10 1 1 A 58 58 TYR CA C 92 56.544 56.952 -0.408 1
1 462 . 10 1 1 A 58 58 TYR CB C 92 43.819 41.673 2.146 1
1 465 . 10 1 1 A 58 58 TYR N N 92 116.307 119.474 -3.167 1
1 466 . 10 1 1 A 59 59 ASN H H 93 8.964 9.363 -0.399 1
1 467 . 10 1 1 A 59 59 ASN HA H 93 5.116 5.629 -0.513 1
1 470 . 10 1 1 A 59 59 ASN C C 93 173.457 174.236 -0.779 1
1 471 . 10 1 1 A 59 59 ASN CA C 93 52.717 52.268 0.449 1
1 472 . 10 1 1 A 59 59 ASN CB C 93 40.420 41.635 -1.215 1
1 473 . 10 1 1 A 59 59 ASN N N 93 119.232 120.197 -0.965 1
1 474 . 10 1 1 A 60 60 ILE H H 94 9.013 9.237 -0.224 1
1 475 . 10 1 1 A 60 60 ILE HA H 94 4.383 5.222 -0.839 1
1 476 . 10 1 1 A 60 60 ILE C C 94 173.370 174.553 -1.183 1
1 477 . 10 1 1 A 60 60 ILE CA C 94 60.231 60.385 -0.154 1
1 478 . 10 1 1 A 60 60 ILE CB C 94 38.728 42.566 -3.838 1
1 479 . 10 1 1 A 60 60 ILE N N 94 123.021 126.020 -2.999 1
1 480 . 10 1 1 A 61 61 TYR H H 95 8.867 8.649 0.218 1
1 481 . 10 1 1 A 61 61 TYR HA H 95 5.279 6.021 -0.742 1
1 486 . 10 1 1 A 61 61 TYR C C 95 174.262 173.620 0.642 1
1 487 . 10 1 1 A 61 61 TYR CA C 95 55.732 55.401 0.331 1
1 488 . 10 1 1 A 61 61 TYR CB C 95 39.723 42.497 -2.774 1
1 491 . 10 1 1 A 61 61 TYR N N 95 125.343 123.131 2.212 1
1 492 . 10 1 1 A 62 62 THR H H 96 8.998 8.632 0.366 1
1 493 . 10 1 1 A 62 62 THR HA H 96 4.889 4.996 -0.107 1
1 496 . 10 1 1 A 62 62 THR C C 96 172.708 171.804 0.904 1
1 497 . 10 1 1 A 62 62 THR CA C 96 58.248 58.282 -0.034 1
1 498 . 10 1 1 A 62 62 THR CB C 96 73.097 72.927 0.170 1
1 500 . 10 1 1 A 62 62 THR N N 96 119.223 115.777 3.446 1
1 501 . 10 1 1 A 63 63 PRO HA H 97 4.410 4.630 -0.220 1
1 503 . 10 1 1 A 63 63 PRO C C 97 3.190 176.871 -173.681 1
1 504 . 10 1 1 A 63 63 PRO CA C 97 175.250 63.759 111.491 1
1 505 . 10 1 1 A 63 63 PRO CB C 97 63.642 31.872 31.770 1
1 507 . 10 1 1 A 63 63 PRO N N 97 51.700 139.198 -87.498 1
1 508 . 10 1 1 A 64 64 TYR H H 98 7.826 9.230 -1.404 1
1 509 . 10 1 1 A 64 64 TYR HA H 98 4.265 4.264 0.001 1
1 514 . 10 1 1 A 64 64 TYR C C 98 175.150 174.278 0.872 1
1 515 . 10 1 1 A 64 64 TYR CA C 98 59.434 58.934 0.500 1
1 516 . 10 1 1 A 64 64 TYR CB C 98 37.240 38.309 -1.069 1
1 518 . 10 1 1 A 64 64 TYR N N 98 122.118 123.709 -1.591 1
1 519 . 10 1 1 A 65 65 ASP H H 99 5.931 7.889 -1.958 1
1 520 . 10 1 1 A 65 65 ASP HA H 99 4.255 4.422 -0.167 1
1 523 . 10 1 1 A 65 65 ASP C C 99 176.079 175.356 0.723 1
1 524 . 10 1 1 A 65 65 ASP CA C 99 52.885 53.593 -0.708 1
1 525 . 10 1 1 A 65 65 ASP CB C 99 43.486 39.548 3.938 1
1 526 . 10 1 1 A 65 65 ASP N N 99 125.409 126.064 -0.655 1
1 527 . 10 1 1 A 66 66 ASP H H 100 8.703 7.859 0.844 1
1 528 . 10 1 1 A 66 66 ASP HA H 100 4.058 4.675 -0.617 1
1 531 . 10 1 1 A 66 66 ASP C C 100 176.300 176.035 0.265 1
1 532 . 10 1 1 A 66 66 ASP CA C 100 55.332 53.079 2.253 1
1 533 . 10 1 1 A 66 66 ASP CB C 100 40.206 40.661 -0.455 1
1 534 . 10 1 1 A 66 66 ASP N N 100 128.295 124.438 3.857 1
1 535 . 10 1 1 A 67 67 ARG H H 101 8.832 8.129 0.703 1
1 536 . 10 1 1 A 67 67 ARG HA H 101 3.944 4.280 -0.336 1
1 538 . 10 1 1 A 67 67 ARG C C 101 177.624 176.897 0.727 1
1 539 . 10 1 1 A 67 67 ARG CA C 101 56.509 57.515 -1.006 1
1 540 . 10 1 1 A 67 67 ARG CB C 101 31.162 31.633 -0.471 1
1 541 . 10 1 1 A 67 67 ARG N N 101 117.507 120.618 -3.111 1
1 542 . 10 1 1 A 68 68 ILE H H 102 7.004 7.687 -0.683 1
1 543 . 10 1 1 A 68 68 ILE HA H 102 3.507 3.615 -0.108 1
1 548 . 10 1 1 A 68 68 ILE C C 102 174.835 174.789 0.046 1
1 549 . 10 1 1 A 68 68 ILE CA C 102 63.638 63.709 -0.071 1
1 550 . 10 1 1 A 68 68 ILE CB C 102 36.617 36.576 0.041 1
1 552 . 10 1 1 A 68 68 ILE N N 102 116.003 117.351 -1.348 1
1 553 . 10 1 1 A 69 69 ASP H H 103 8.026 7.731 0.295 1
1 554 . 10 1 1 A 69 69 ASP HA H 103 4.954 4.583 0.371 1
1 557 . 10 1 1 A 69 69 ASP C C 103 175.574 175.543 0.031 1
1 558 . 10 1 1 A 69 69 ASP CA C 103 52.485 51.343 1.142 1
1 559 . 10 1 1 A 69 69 ASP CB C 103 45.984 41.910 4.074 1
1 560 . 10 1 1 A 69 69 ASP N N 103 129.672 118.163 11.509 1
1 561 . 10 1 1 A 70 70 LYS H H 104 8.505 8.689 -0.184 1
1 562 . 10 1 1 A 70 70 LYS C C 104 175.300 175.630 -0.330 1
1 563 . 10 1 1 A 70 70 LYS CA C 104 58.027 57.078 0.949 1
1 564 . 10 1 1 A 70 70 LYS CB C 104 31.376 31.213 0.163 1
1 565 . 10 1 1 A 70 70 LYS N N 104 119.646 119.261 0.385 1
1 566 . 10 1 1 A 71 71 LYS H H 105 8.653 8.521 0.132 1
1 567 . 10 1 1 A 71 71 LYS HA H 105 4.513 3.967 0.546 1
1 571 . 10 1 1 A 71 71 LYS C C 105 178.190 175.133 3.057 1
1 572 . 10 1 1 A 71 71 LYS CA C 105 56.415 57.677 -1.262 1
1 573 . 10 1 1 A 71 71 LYS CB C 105 30.942 31.374 -0.432 1
1 575 . 10 1 1 A 71 71 LYS N N 105 118.554 118.275 0.279 1
1 576 . 10 1 1 A 72 72 MET H H 106 7.596 7.623 -0.027 1
1 577 . 10 1 1 A 72 72 MET HA H 106 5.019 5.136 -0.117 1
1 578 . 10 1 1 A 72 72 MET C C 106 172.309 174.588 -2.279 1
1 579 . 10 1 1 A 72 72 MET CA C 106 56.500 54.084 2.416 1
1 580 . 10 1 1 A 72 72 MET CB C 106 34.892 35.249 -0.357 1
1 581 . 10 1 1 A 72 72 MET N N 106 119.949 118.554 1.395 1
1 582 . 10 1 1 A 73 73 ARG H H 107 8.266 9.122 -0.856 1
1 583 . 10 1 1 A 73 73 ARG HA H 107 4.075 5.203 -1.128 1
1 585 . 10 1 1 A 73 73 ARG C C 107 172.995 174.237 -1.242 1
1 586 . 10 1 1 A 73 73 ARG CA C 107 53.348 54.840 -1.492 1
1 587 . 10 1 1 A 73 73 ARG CB C 107 31.579 31.915 -0.336 1
1 588 . 10 1 1 A 73 73 ARG N N 107 112.423 124.323 -11.900 1
1 589 . 10 1 1 A 74 74 VAL H H 108 8.371 8.647 -0.276 1
1 590 . 10 1 1 A 74 74 VAL HA H 108 4.954 4.803 0.151 1
1 598 . 10 1 1 A 74 74 VAL C C 108 173.137 173.371 -0.234 1
1 599 . 10 1 1 A 74 74 VAL CA C 108 58.400 59.421 -1.021 1
1 600 . 10 1 1 A 74 74 VAL CB C 108 35.700 34.332 1.368 1
1 603 . 10 1 1 A 74 74 VAL N N 108 117.751 126.845 -9.094 1
1 604 . 10 1 1 A 75 75 ILE H H 109 8.644 8.653 -0.009 1
1 605 . 10 1 1 A 75 75 ILE HA H 109 4.772 4.370 0.402 1
1 610 . 10 1 1 A 75 75 ILE C C 109 176.377 174.313 2.064 1
1 611 . 10 1 1 A 75 75 ILE CA C 109 57.500 59.907 -2.407 1
1 612 . 10 1 1 A 75 75 ILE CB C 109 35.550 38.791 -3.241 1
1 614 . 10 1 1 A 75 75 ILE N N 109 122.741 128.070 -5.329 1
1 615 . 10 1 1 A 76 76 TYR H H 110 8.928 7.608 1.320 1
1 616 . 10 1 1 A 76 76 TYR HA H 110 4.873 4.652 0.221 1
1 621 . 10 1 1 A 76 76 TYR C C 110 173.400 175.596 -2.196 1
1 622 . 10 1 1 A 76 76 TYR CA C 110 54.699 56.294 -1.595 1
1 623 . 10 1 1 A 76 76 TYR CB C 110 40.392 36.571 3.821 1
1 626 . 10 1 1 A 76 76 TYR N N 110 129.091 128.624 0.467 1
1 627 . 10 1 1 A 77 77 ARG H H 111 9.206 9.468 -0.262 1
1 628 . 10 1 1 A 77 77 ARG HA H 111 3.537 3.941 -0.404 1
1 633 . 10 1 1 A 77 77 ARG C C 111 176.065 176.378 -0.313 1
1 634 . 10 1 1 A 77 77 ARG CA C 111 56.490 57.067 -0.577 1
1 635 . 10 1 1 A 77 77 ARG CB C 111 27.448 28.151 -0.703 1
1 636 . 10 1 1 A 77 77 ARG N N 111 126.774 125.629 1.145 1
1 637 . 10 1 1 A 78 78 GLY H H 112 8.155 8.379 -0.224 1
1 638 . 10 1 1 A 78 78 GLY HA2 H 112 4.040 3.726 0.314 1
1 639 . 10 1 1 A 78 78 GLY HA3 H 112 3.540 3.759 -0.219 1
1 640 . 10 1 1 A 78 78 GLY C C 112 173.810 173.835 -0.025 1
1 641 . 10 1 1 A 78 78 GLY CA C 112 45.284 45.412 -0.128 1
1 642 . 10 1 1 A 78 78 GLY N N 112 102.172 104.280 -2.108 1
1 643 . 10 1 1 A 79 79 LYS HA H 113 3.910 4.247 -0.337 1
1 644 . 10 1 1 A 79 79 LYS C C 113 174.750 174.901 -0.151 1
1 645 . 10 1 1 A 79 79 LYS CA C 113 53.808 55.113 -1.305 1
1 646 . 10 1 1 A 79 79 LYS CB C 113 33.298 33.059 0.239 1
1 647 . 10 1 1 A 80 80 ILE H H 114 8.484 8.407 0.077 1
1 648 . 10 1 1 A 80 80 ILE HA H 114 3.860 4.366 -0.506 1
1 653 . 10 1 1 A 80 80 ILE C C 114 174.732 175.101 -0.369 1
1 654 . 10 1 1 A 80 80 ILE CA C 114 61.130 60.428 0.702 1
1 655 . 10 1 1 A 80 80 ILE CB C 114 37.740 38.225 -0.485 1
1 657 . 10 1 1 A 80 80 ILE N N 114 121.186 122.538 -1.352 1
1 658 . 10 1 1 A 81 81 VAL H H 115 9.395 8.571 0.824 1
1 659 . 10 1 1 A 81 81 VAL HA H 115 4.645 4.711 -0.066 1
1 664 . 10 1 1 A 81 81 VAL C C 115 174.934 174.613 0.321 1
1 665 . 10 1 1 A 81 81 VAL CA C 115 60.401 59.996 0.405 1
1 666 . 10 1 1 A 81 81 VAL CB C 115 32.142 34.017 -1.875 1
1 668 . 10 1 1 A 81 81 VAL N N 115 129.212 127.641 1.571 1
1 669 . 10 1 1 A 82 82 THR H H 116 8.661 8.698 -0.037 1
1 670 . 10 1 1 A 82 82 THR HA H 116 4.483 5.307 -0.824 1
1 673 . 10 1 1 A 82 82 THR C C 116 175.000 173.903 1.097 1
1 674 . 10 1 1 A 82 82 THR CA C 116 59.911 62.246 -2.335 1
1 675 . 10 1 1 A 82 82 THR CB C 116 69.844 69.743 0.101 1
1 677 . 10 1 1 A 82 82 THR N N 116 120.129 123.307 -3.178 1
1 678 . 10 1 1 A 83 83 PHE H H 117 9.153 9.191 -0.038 1
1 679 . 10 1 1 A 83 83 PHE HA H 117 5.003 5.570 -0.567 1
1 681 . 10 1 1 A 83 83 PHE C C 117 177.126 172.919 4.207 1
1 682 . 10 1 1 A 83 83 PHE CA C 117 55.003 55.690 -0.687 1
1 683 . 10 1 1 A 83 83 PHE CB C 117 37.018 42.876 -5.858 1
1 684 . 10 1 1 A 83 83 PHE N N 117 123.251 123.182 0.069 1
1 685 . 10 1 1 A 84 84 ILE H H 118 8.882 8.628 0.254 1
1 686 . 10 1 1 A 84 84 ILE HA H 118 4.320 4.871 -0.551 1
1 695 . 10 1 1 A 84 84 ILE C C 118 175.958 174.882 1.076 1
1 696 . 10 1 1 A 84 84 ILE CA C 118 60.275 58.790 1.485 1
1 697 . 10 1 1 A 84 84 ILE CB C 118 37.057 41.068 -4.011 1
1 700 . 10 1 1 A 84 84 ILE N N 118 122.450 116.405 6.045 1
1 701 . 10 1 1 A 85 85 GLY H H 119 8.198 8.199 -0.001 1
1 702 . 10 1 1 A 85 85 GLY HA2 H 119 4.050 4.061 -0.011 1
1 703 . 10 1 1 A 85 85 GLY HA3 H 119 3.900 4.108 -0.208 1
1 704 . 10 1 1 A 85 85 GLY C C 119 172.376 170.746 1.630 1
1 705 . 10 1 1 A 85 85 GLY CA C 119 44.033 45.607 -1.574 1
1 706 . 10 1 1 A 85 85 GLY N N 119 112.995 109.650 3.345 1
1 707 . 10 1 1 A 86 86 ASP H H 120 8.132 8.562 -0.430 1
1 708 . 10 1 1 A 86 86 ASP HA H 120 4.938 5.291 -0.353 1
1 711 . 10 1 1 A 86 86 ASP C C 120 175.418 174.553 0.865 1
1 712 . 10 1 1 A 86 86 ASP CA C 120 52.656 50.675 1.981 1
1 713 . 10 1 1 A 86 86 ASP CB C 120 40.163 45.095 -4.932 1
1 714 . 10 1 1 A 86 86 ASP N N 120 119.130 119.479 -0.349 1
1 715 . 10 1 1 A 87 87 PRO HA H 121 4.470 4.715 -0.245 1
1 719 . 10 1 1 A 87 87 PRO CA C 121 175.750 62.325 113.425 1
1 720 . 10 1 1 A 87 87 PRO CB C 121 62.414 32.609 29.805 1
1 723 . 10 1 1 A 87 87 PRO N N 121 49.700 137.748 -88.048 1
1 724 . 10 1 1 A 88 88 VAL H H 122 8.707 7.907 0.800 1
1 725 . 10 1 1 A 88 88 VAL HA H 122 4.400 4.835 -0.435 1
1 733 . 10 1 1 A 88 88 VAL C C 122 174.250 174.506 -0.256 1
1 734 . 10 1 1 A 88 88 VAL CA C 122 60.598 59.269 1.329 1
1 735 . 10 1 1 A 88 88 VAL CB C 122 34.847 35.551 -0.704 1
1 738 . 10 1 1 A 88 88 VAL N N 122 121.987 115.533 6.454 1
1 739 . 10 1 1 A 89 89 ASP H H 123 8.437 8.562 -0.125 1
1 740 . 10 1 1 A 89 89 ASP HA H 123 5.068 4.852 0.216 1
1 743 . 10 1 1 A 89 89 ASP C C 123 177.435 176.586 0.849 1
1 744 . 10 1 1 A 89 89 ASP CA C 123 52.751 53.259 -0.508 1
1 745 . 10 1 1 A 89 89 ASP CB C 123 40.191 42.045 -1.854 1
1 746 . 10 1 1 A 89 89 ASP N N 123 125.856 122.894 2.962 1
1 747 . 10 1 1 A 90 90 LEU H H 124 8.793 9.248 -0.455 1
1 748 . 10 1 1 A 90 90 LEU HA H 124 4.047 4.292 -0.245 1
1 749 . 10 1 1 A 90 90 LEU CA C 124 56.836 57.094 -0.258 1
1 750 . 10 1 1 A 90 90 LEU CB C 124 41.301 42.708 -1.407 1
1 751 . 10 1 1 A 90 90 LEU N N 124 128.178 124.263 3.915 1
1 752 . 10 1 1 A 91 91 SER H H 125 8.927 7.905 1.022 1
1 753 . 10 1 1 A 91 91 SER HA H 125 4.287 4.655 -0.368 1
1 754 . 10 1 1 A 91 91 SER C C 125 173.984 175.019 -1.035 1
1 755 . 10 1 1 A 91 91 SER CA C 125 58.498 58.456 0.042 1
1 756 . 10 1 1 A 91 91 SER CB C 125 63.600 64.392 -0.792 1
1 757 . 10 1 1 A 91 91 SER N N 125 115.226 112.042 3.184 1
1 758 . 10 1 1 A 92 92 GLY H H 126 8.250 8.276 -0.026 1
1 759 . 10 1 1 A 92 92 GLY HA2 H 126 3.950 3.990 -0.040 1
1 760 . 10 1 1 A 92 92 GLY HA3 H 126 3.670 4.015 -0.345 1
1 761 . 10 1 1 A 92 92 GLY C C 126 174.700 173.955 0.745 1
1 762 . 10 1 1 A 92 92 GLY CA C 126 45.900 46.663 -0.763 1
1 763 . 10 1 1 A 92 92 GLY N N 126 109.395 110.389 -0.994 1
1 764 . 10 1 1 A 94 94 GLN C C 128 174.459 174.835 -0.376 1
1 765 . 10 1 1 A 94 94 GLN CA C 128 56.434 57.597 -1.163 1
1 766 . 10 1 1 A 94 94 GLN CB C 128 25.491 27.680 -2.189 1
1 767 . 10 1 1 A 95 95 GLU H H 129 8.474 8.701 -0.227 1
1 768 . 10 1 1 A 95 95 GLU HA H 129 4.596 4.186 0.410 1
1 772 . 10 1 1 A 95 95 GLU C C 129 177.559 175.372 2.187 1
1 773 . 10 1 1 A 95 95 GLU CA C 129 57.183 58.992 -1.809 1
1 774 . 10 1 1 A 95 95 GLU CB C 129 31.432 29.133 2.299 1
1 775 . 10 1 1 A 95 95 GLU N N 129 115.145 119.914 -4.769 1
1 776 . 10 1 1 A 96 96 ILE H H 130 9.393 8.487 0.906 1
1 777 . 10 1 1 A 96 96 ILE HA H 130 4.660 5.029 -0.369 1
1 782 . 10 1 1 A 96 96 ILE C C 130 173.821 173.881 -0.060 1
1 783 . 10 1 1 A 96 96 ILE CA C 130 59.481 59.974 -0.493 1
1 784 . 10 1 1 A 96 96 ILE CB C 130 41.386 41.357 0.029 1
1 785 . 10 1 1 A 96 96 ILE N N 130 124.603 124.313 0.290 1
1 786 . 10 1 1 A 97 97 THR H H 131 9.341 8.878 0.463 1
1 787 . 10 1 1 A 97 97 THR HA H 131 5.135 4.954 0.181 1
1 790 . 10 1 1 A 97 97 THR C C 131 172.742 173.141 -0.399 1
1 791 . 10 1 1 A 97 97 THR CA C 131 62.458 60.577 1.881 1
1 792 . 10 1 1 A 97 97 THR CB C 131 69.995 71.143 -1.148 1
1 794 . 10 1 1 A 97 97 THR N N 131 125.280 122.536 2.744 1
1 795 . 10 1 1 A 98 98 ARG H H 132 9.286 8.651 0.635 1
1 796 . 10 1 1 A 98 98 ARG HA H 132 5.263 5.046 0.217 1
1 802 . 10 1 1 A 98 98 ARG C C 132 175.462 174.447 1.015 1
1 803 . 10 1 1 A 98 98 ARG CA C 132 53.122 54.877 -1.755 1
1 804 . 10 1 1 A 98 98 ARG CB C 132 32.555 31.574 0.981 1
1 805 . 10 1 1 A 98 98 ARG N N 132 126.525 127.151 -0.626 1
1 806 . 10 1 1 A 99 99 ILE H H 133 9.338 9.000 0.338 1
1 807 . 10 1 1 A 99 99 ILE HA H 133 3.959 4.945 -0.986 1
1 816 . 10 1 1 A 99 99 ILE C C 133 173.860 174.256 -0.396 1
1 817 . 10 1 1 A 99 99 ILE CA C 133 59.719 59.815 -0.096 1
1 818 . 10 1 1 A 99 99 ILE CB C 133 41.429 41.316 0.113 1
1 821 . 10 1 1 A 99 99 ILE N N 133 129.483 124.489 4.994 1
1 822 . 10 1 1 A 100 100 LYS H H 134 8.457 8.943 -0.486 1
1 823 . 10 1 1 A 100 100 LYS HA H 134 4.990 5.330 -0.340 1
1 824 . 10 1 1 A 100 100 LYS C C 134 175.750 175.543 0.207 1
1 825 . 10 1 1 A 100 100 LYS CA C 134 54.548 54.785 -0.237 1
1 826 . 10 1 1 A 100 100 LYS CB C 134 32.800 35.445 -2.645 1
1 827 . 10 1 1 A 100 100 LYS N N 134 128.506 128.745 -0.239 1
1 828 . 10 1 1 A 101 101 GLY H H 135 8.968 8.627 0.341 1
1 829 . 10 1 1 A 101 101 GLY HA2 H 135 5.350 4.486 0.864 1
1 830 . 10 1 1 A 101 101 GLY HA3 H 135 3.290 4.492 -1.202 1
1 831 . 10 1 1 A 101 101 GLY C C 135 171.558 172.253 -0.695 1
1 832 . 10 1 1 A 101 101 GLY CA C 135 44.286 44.882 -0.596 1
1 833 . 10 1 1 A 101 101 GLY N N 135 110.167 111.417 -1.250 1
1 834 . 10 1 1 A 102 102 LYS H H 136 9.158 8.839 0.319 1
1 835 . 10 1 1 A 102 102 LYS C C 136 174.516 174.895 -0.379 1
1 836 . 10 1 1 A 102 102 LYS CA C 136 53.781 54.054 -0.273 1
1 837 . 10 1 1 A 102 102 LYS CB C 136 34.807 36.725 -1.918 1
1 838 . 10 1 1 A 102 102 LYS N N 136 119.838 118.695 1.143 1
1 839 . 10 1 1 A 103 103 GLU H H 137 8.711 9.295 -0.584 1
1 840 . 10 1 1 A 103 103 GLU HA H 137 4.709 4.947 -0.238 1
1 841 . 10 1 1 A 103 103 GLU C C 137 176.875 175.909 0.966 1
1 842 . 10 1 1 A 103 103 GLU CA C 137 56.833 54.711 2.122 1
1 843 . 10 1 1 A 103 103 GLU CB C 137 30.640 32.567 -1.927 1
1 844 . 10 1 1 A 103 103 GLU N N 137 124.293 120.321 3.972 1
1 845 . 10 1 1 A 104 104 ASP H H 138 9.334 9.097 0.237 1
1 846 . 10 1 1 A 104 104 ASP HA H 138 4.954 4.817 0.137 1
1 849 . 10 1 1 A 104 104 ASP C C 138 175.340 176.554 -1.214 1
1 850 . 10 1 1 A 104 104 ASP CA C 138 53.107 53.842 -0.735 1
1 851 . 10 1 1 A 104 104 ASP CB C 138 42.374 38.911 3.463 1
1 852 . 10 1 1 A 104 104 ASP N N 138 127.542 124.446 3.096 1
1 853 . 10 1 1 A 105 105 GLY H H 139 7.732 8.949 -1.217 1
1 854 . 10 1 1 A 105 105 GLY HA2 H 139 4.360 3.847 0.513 1
1 855 . 10 1 1 A 105 105 GLY HA3 H 139 3.800 3.862 -0.062 1
1 856 . 10 1 1 A 105 105 GLY C C 139 172.374 175.370 -2.996 1
1 857 . 10 1 1 A 105 105 GLY CA C 139 43.800 47.038 -3.238 1
1 858 . 10 1 1 A 105 105 GLY N N 139 106.466 109.397 -2.931 1
1 859 . 10 1 1 A 106 106 ALA H H 140 8.191 7.891 0.300 1
1 860 . 10 1 1 A 106 106 ALA HA H 140 4.564 4.334 0.230 1
1 864 . 10 1 1 A 106 106 ALA C C 140 177.004 177.381 -0.377 1
1 865 . 10 1 1 A 106 106 ALA CA C 140 51.406 52.374 -0.968 1
1 866 . 10 1 1 A 106 106 ALA CB C 140 19.500 19.044 0.456 1
1 867 . 10 1 1 A 106 106 ALA N N 140 120.674 124.261 -3.587 1
1 868 . 10 1 1 A 107 107 TYR H H 141 8.458 7.699 0.759 1
1 869 . 10 1 1 A 107 107 TYR HA H 141 4.578 4.678 -0.100 1
1 873 . 10 1 1 A 107 107 TYR C C 141 174.746 175.115 -0.369 1
1 874 . 10 1 1 A 107 107 TYR CA C 141 56.554 56.773 -0.219 1
1 875 . 10 1 1 A 107 107 TYR CB C 141 38.649 36.788 1.861 1
1 878 . 10 1 1 A 107 107 TYR N N 141 121.312 117.416 3.896 1
1 879 . 10 1 1 A 108 108 VAL H H 142 7.941 8.078 -0.137 1
1 880 . 10 1 1 A 108 108 VAL HA H 142 4.008 3.735 0.273 1
1 888 . 10 1 1 A 108 108 VAL C C 142 174.701 175.779 -1.078 1
1 889 . 10 1 1 A 108 108 VAL CA C 142 60.912 65.378 -4.466 1
1 890 . 10 1 1 A 108 108 VAL CB C 142 32.065 29.706 2.359 1
1 893 . 10 1 1 A 108 108 VAL N N 142 125.257 114.790 10.467 1
1 9 . 11 1 1 A 2 2 TYR H H 36 7.537 7.888 -0.351 1
1 10 . 11 1 1 A 2 2 TYR HA H 36 3.945 4.675 -0.730 1
1 15 . 11 1 1 A 2 2 TYR C C 36 176.000 176.134 -0.134 1
1 16 . 11 1 1 A 2 2 TYR CA C 36 57.871 58.867 -0.996 1
1 17 . 11 1 1 A 2 2 TYR CB C 36 37.248 37.628 -0.380 1
1 18 . 11 1 1 A 2 2 TYR N N 36 117.048 116.839 0.209 1
1 19 . 11 1 1 A 3 3 GLU H H 37 7.718 7.731 -0.013 1
1 20 . 11 1 1 A 3 3 GLU HA H 37 4.025 4.595 -0.570 1
1 24 . 11 1 1 A 3 3 GLU C C 37 176.100 176.427 -0.327 1
1 25 . 11 1 1 A 3 3 GLU CA C 37 56.788 55.204 1.584 1
1 26 . 11 1 1 A 3 3 GLU CB C 37 29.527 29.738 -0.211 1
1 28 . 11 1 1 A 3 3 GLU N N 37 118.925 121.391 -2.466 1
1 29 . 11 1 1 A 4 4 GLU H H 38 7.866 8.185 -0.319 1
1 30 . 11 1 1 A 4 4 GLU HA H 38 4.215 4.068 0.147 1
1 35 . 11 1 1 A 4 4 GLU C C 38 176.205 176.198 0.007 1
1 36 . 11 1 1 A 4 4 GLU CA C 38 55.595 57.984 -2.389 1
1 37 . 11 1 1 A 4 4 GLU CB C 38 29.162 27.941 1.221 1
1 38 . 11 1 1 A 4 4 GLU N N 38 116.623 119.579 -2.956 1
1 39 . 11 1 1 A 5 5 PHE H H 39 8.087 8.731 -0.644 1
1 40 . 11 1 1 A 5 5 PHE HA H 39 4.780 4.849 -0.069 1
1 46 . 11 1 1 A 5 5 PHE C C 39 176.758 175.198 1.560 1
1 47 . 11 1 1 A 5 5 PHE CA C 39 54.914 56.776 -1.862 1
1 48 . 11 1 1 A 5 5 PHE CB C 39 36.531 37.914 -1.383 1
1 49 . 11 1 1 A 5 5 PHE N N 39 121.852 117.401 4.451 1
1 50 . 11 1 1 A 6 6 ARG HA H 40 4.515 4.748 -0.233 1
1 51 . 11 1 1 A 6 6 ARG C C 40 176.376 173.757 2.619 1
1 52 . 11 1 1 A 6 6 ARG CA C 40 56.288 55.347 0.941 1
1 53 . 11 1 1 A 6 6 ARG CB C 40 31.100 30.643 0.457 1
1 54 . 11 1 1 A 7 7 ASP H H 41 8.851 8.277 0.574 1
1 55 . 11 1 1 A 7 7 ASP HA H 41 5.182 5.263 -0.081 1
1 57 . 11 1 1 A 7 7 ASP C C 41 175.379 174.779 0.600 1
1 58 . 11 1 1 A 7 7 ASP CA C 41 53.324 52.631 0.693 1
1 59 . 11 1 1 A 7 7 ASP CB C 41 44.292 45.708 -1.416 1
1 60 . 11 1 1 A 7 7 ASP N N 41 119.795 123.914 -4.119 1
1 61 . 11 1 1 A 8 8 VAL H H 42 8.580 8.401 0.179 1
1 62 . 11 1 1 A 8 8 VAL HA H 42 4.856 4.990 -0.134 1
1 70 . 11 1 1 A 8 8 VAL C C 42 175.170 175.289 -0.119 1
1 71 . 11 1 1 A 8 8 VAL CA C 42 61.398 60.468 0.930 1
1 72 . 11 1 1 A 8 8 VAL CB C 42 33.643 33.514 0.129 1
1 75 . 11 1 1 A 8 8 VAL N N 42 120.042 118.025 2.017 1
1 76 . 11 1 1 A 9 9 ILE H H 43 8.765 8.722 0.043 1
1 77 . 11 1 1 A 9 9 ILE HA H 43 4.939 4.829 0.110 1
1 79 . 11 1 1 A 9 9 ILE C C 43 173.755 174.054 -0.299 1
1 80 . 11 1 1 A 9 9 ILE CA C 43 58.528 59.175 -0.647 1
1 81 . 11 1 1 A 9 9 ILE CB C 43 40.437 42.288 -1.851 1
1 82 . 11 1 1 A 9 9 ILE N N 43 117.778 122.384 -4.606 1
1 83 . 11 1 1 A 10 10 THR H H 44 7.834 8.002 -0.168 1
1 84 . 11 1 1 A 10 10 THR HA H 44 4.709 4.726 -0.017 1
1 87 . 11 1 1 A 10 10 THR C C 44 173.691 173.516 0.175 1
1 88 . 11 1 1 A 10 10 THR CA C 44 61.662 60.919 0.743 1
1 89 . 11 1 1 A 10 10 THR CB C 44 70.906 70.703 0.203 1
1 91 . 11 1 1 A 10 10 THR N N 44 116.613 117.248 -0.635 1
1 92 . 11 1 1 A 11 11 PHE H H 45 8.821 8.576 0.245 1
1 93 . 11 1 1 A 11 11 PHE HA H 45 4.807 5.092 -0.285 1
1 94 . 11 1 1 A 11 11 PHE C C 45 175.619 175.121 0.498 1
1 95 . 11 1 1 A 11 11 PHE CA C 45 57.779 56.195 1.584 1
1 96 . 11 1 1 A 11 11 PHE CB C 45 39.649 40.874 -1.225 1
1 97 . 11 1 1 A 11 11 PHE N N 45 125.155 125.420 -0.265 1
1 98 . 11 1 1 A 12 12 GLN H H 46 9.103 8.963 0.140 1
1 99 . 11 1 1 A 12 12 GLN HA H 46 5.573 5.129 0.444 1
1 103 . 11 1 1 A 12 12 GLN C C 46 175.011 174.972 0.039 1
1 104 . 11 1 1 A 12 12 GLN CA C 46 54.423 54.303 0.120 1
1 105 . 11 1 1 A 12 12 GLN CB C 46 34.467 32.575 1.892 1
1 106 . 11 1 1 A 12 12 GLN N N 46 119.069 121.560 -2.491 1
1 107 . 11 1 1 A 13 13 SER H H 47 8.730 8.561 0.169 1
1 108 . 11 1 1 A 13 13 SER HA H 47 5.229 5.388 -0.159 1
1 110 . 11 1 1 A 13 13 SER C C 47 171.559 172.204 -0.645 1
1 111 . 11 1 1 A 13 13 SER CA C 47 56.514 57.407 -0.893 1
1 112 . 11 1 1 A 13 13 SER CB C 47 66.075 66.585 -0.510 1
1 113 . 11 1 1 A 13 13 SER N N 47 114.734 116.791 -2.057 1
1 114 . 11 1 1 A 14 14 TYR H H 48 8.544 8.744 -0.200 1
1 115 . 11 1 1 A 14 14 TYR HA H 48 4.256 4.823 -0.567 1
1 120 . 11 1 1 A 14 14 TYR C C 48 175.437 173.736 1.701 1
1 121 . 11 1 1 A 14 14 TYR CA C 48 56.137 55.950 0.187 1
1 122 . 11 1 1 A 14 14 TYR CB C 48 36.242 41.102 -4.860 1
1 125 . 11 1 1 A 14 14 TYR N N 48 126.962 125.137 1.825 1
1 126 . 11 1 1 A 15 15 VAL H H 49 8.537 9.171 -0.634 1
1 127 . 11 1 1 A 15 15 VAL HA H 49 4.360 4.405 -0.045 1
1 132 . 11 1 1 A 15 15 VAL C C 49 174.600 174.759 -0.159 1
1 133 . 11 1 1 A 15 15 VAL CA C 49 62.600 61.136 1.464 1
1 134 . 11 1 1 A 15 15 VAL CB C 49 35.100 33.134 1.966 1
1 136 . 11 1 1 A 15 15 VAL N N 49 123.837 126.789 -2.952 1
1 137 . 11 1 1 A 16 16 GLU H H 50 8.296 8.780 -0.484 1
1 138 . 11 1 1 A 16 16 GLU HA H 50 3.702 4.596 -0.894 1
1 142 . 11 1 1 A 16 16 GLU C C 50 175.947 174.828 1.119 1
1 143 . 11 1 1 A 16 16 GLU CA C 50 55.400 55.621 -0.221 1
1 144 . 11 1 1 A 16 16 GLU CB C 50 30.100 28.176 1.924 1
1 145 . 11 1 1 A 16 16 GLU N N 50 124.989 127.364 -2.375 1
1 146 . 11 1 1 A 17 17 GLN H H 51 8.529 8.311 0.218 1
1 147 . 11 1 1 A 17 17 GLN HA H 51 4.415 4.467 -0.052 1
1 151 . 11 1 1 A 17 17 GLN C C 51 175.122 174.163 0.959 1
1 152 . 11 1 1 A 17 17 GLN CA C 51 54.060 54.944 -0.884 1
1 153 . 11 1 1 A 17 17 GLN CB C 51 29.943 27.742 2.201 1
1 155 . 11 1 1 A 17 17 GLN N N 51 124.656 124.318 0.338 1
1 156 . 11 1 1 A 18 18 SER HA H 52 4.420 4.592 -0.172 1
1 157 . 11 1 1 A 18 18 SER C C 52 173.505 173.806 -0.301 1
1 158 . 11 1 1 A 18 18 SER CA C 52 58.279 57.674 0.605 1
1 159 . 11 1 1 A 18 18 SER CB C 52 63.835 63.685 0.150 1
1 160 . 11 1 1 A 19 19 ASN H H 53 8.109 8.348 -0.239 1
1 161 . 11 1 1 A 19 19 ASN HA H 53 4.399 4.926 -0.527 1
1 164 . 11 1 1 A 19 19 ASN C C 53 179.837 175.873 3.964 1
1 165 . 11 1 1 A 19 19 ASN CA C 53 54.664 52.687 1.977 1
1 166 . 11 1 1 A 19 19 ASN CB C 53 39.983 39.970 0.013 1
1 167 . 11 1 1 A 19 19 ASN N N 53 126.199 117.193 9.006 1
1 168 . 11 1 1 A 20 20 GLY H H 54 8.166 8.072 0.094 1
1 169 . 11 1 1 A 20 20 GLY HA2 H 54 3.911 3.993 -0.082 1
1 170 . 11 1 1 A 20 20 GLY C C 54 174.876 175.219 -0.343 1
1 171 . 11 1 1 A 20 20 GLY CA C 54 45.206 46.089 -0.883 1
1 172 . 11 1 1 A 20 20 GLY N N 54 113.067 107.824 5.243 1
1 173 . 11 1 1 A 22 22 GLY CA C 56 45.279 45.855 -0.576 1
1 174 . 11 1 1 A 23 23 GLY H H 57 8.235 8.532 -0.297 1
1 175 . 11 1 1 A 23 23 GLY HA2 H 57 3.929 4.173 -0.244 1
1 176 . 11 1 1 A 23 23 GLY C C 57 173.796 172.242 1.554 1
1 177 . 11 1 1 A 23 23 GLY CA C 57 45.348 44.925 0.423 1
1 178 . 11 1 1 A 23 23 GLY N N 57 108.389 108.359 0.030 1
1 179 . 11 1 1 A 24 24 LYS HA H 58 4.804 4.893 -0.089 1
1 180 . 11 1 1 A 24 24 LYS C C 58 175.908 174.947 0.961 1
1 181 . 11 1 1 A 24 24 LYS CA C 58 54.833 55.185 -0.352 1
1 182 . 11 1 1 A 24 24 LYS CB C 58 34.402 32.789 1.613 1
1 183 . 11 1 1 A 25 25 THR H H 59 8.413 7.212 1.201 1
1 184 . 11 1 1 A 25 25 THR HA H 59 4.482 4.601 -0.119 1
1 187 . 11 1 1 A 25 25 THR C C 59 171.934 171.886 0.048 1
1 188 . 11 1 1 A 25 25 THR CA C 59 60.144 60.930 -0.786 1
1 189 . 11 1 1 A 25 25 THR CB C 59 71.035 70.671 0.364 1
1 191 . 11 1 1 A 25 25 THR N N 59 115.947 118.075 -2.128 1
1 192 . 11 1 1 A 26 26 TYR H H 60 8.182 8.855 -0.673 1
1 193 . 11 1 1 A 26 26 TYR HA H 60 4.883 5.028 -0.145 1
1 198 . 11 1 1 A 26 26 TYR C C 60 173.593 174.398 -0.805 1
1 199 . 11 1 1 A 26 26 TYR CA C 60 54.043 56.084 -2.041 1
1 200 . 11 1 1 A 26 26 TYR CB C 60 40.100 43.355 -3.255 1
1 202 . 11 1 1 A 26 26 TYR N N 60 121.985 127.823 -5.838 1
1 203 . 11 1 1 A 27 27 LYS H H 61 8.385 8.247 0.138 1
1 204 . 11 1 1 A 27 27 LYS HA H 61 4.563 5.105 -0.542 1
1 205 . 11 1 1 A 27 27 LYS C C 61 174.186 174.485 -0.299 1
1 206 . 11 1 1 A 27 27 LYS CA C 61 54.589 55.187 -0.598 1
1 207 . 11 1 1 A 27 27 LYS CB C 61 35.801 36.343 -0.542 1
1 208 . 11 1 1 A 27 27 LYS N N 61 120.203 121.380 -1.177 1
1 209 . 11 1 1 A 28 28 TRP H H 62 8.524 8.827 -0.303 1
1 210 . 11 1 1 A 28 28 TRP HA H 62 5.361 5.492 -0.131 1
1 215 . 11 1 1 A 28 28 TRP C C 62 176.934 176.200 0.734 1
1 216 . 11 1 1 A 28 28 TRP CA C 62 56.499 55.519 0.980 1
1 217 . 11 1 1 A 28 28 TRP CB C 62 29.300 31.720 -2.420 1
1 218 . 11 1 1 A 28 28 TRP N N 62 122.913 125.969 -3.056 1
1 220 . 11 1 1 A 29 29 VAL H H 63 9.470 8.827 0.643 1
1 221 . 11 1 1 A 29 29 VAL HA H 63 4.626 5.000 -0.374 1
1 229 . 11 1 1 A 29 29 VAL C C 63 175.264 173.833 1.431 1
1 230 . 11 1 1 A 29 29 VAL CA C 63 59.163 59.210 -0.047 1
1 231 . 11 1 1 A 29 29 VAL CB C 63 34.759 35.918 -1.159 1
1 234 . 11 1 1 A 29 29 VAL N N 63 120.454 117.499 2.955 1
1 235 . 11 1 1 A 30 30 ASP H H 64 8.576 8.794 -0.218 1
1 236 . 11 1 1 A 30 30 ASP HA H 64 4.386 4.941 -0.555 1
1 237 . 11 1 1 A 30 30 ASP C C 64 174.186 176.009 -1.823 1
1 238 . 11 1 1 A 30 30 ASP CA C 64 55.907 54.384 1.523 1
1 239 . 11 1 1 A 30 30 ASP CB C 64 39.942 42.803 -2.861 1
1 240 . 11 1 1 A 30 30 ASP N N 64 123.588 124.101 -0.513 1
1 241 . 11 1 1 A 31 31 GLU H H 65 9.482 9.442 0.040 1
1 242 . 11 1 1 A 31 31 GLU HA H 65 4.674 4.488 0.186 1
1 246 . 11 1 1 A 31 31 GLU C C 65 176.000 176.356 -0.356 1
1 247 . 11 1 1 A 31 31 GLU CA C 65 57.263 58.209 -0.946 1
1 248 . 11 1 1 A 31 31 GLU CB C 65 30.200 31.525 -1.325 1
1 250 . 11 1 1 A 31 31 GLU N N 65 124.008 124.553 -0.545 1
1 251 . 11 1 1 A 32 32 PHE H H 66 7.257 7.515 -0.258 1
1 252 . 11 1 1 A 32 32 PHE HA H 66 4.940 5.165 -0.225 1
1 254 . 11 1 1 A 32 32 PHE C C 66 172.742 172.435 0.307 1
1 255 . 11 1 1 A 32 32 PHE CA C 66 56.316 56.597 -0.281 1
1 256 . 11 1 1 A 32 32 PHE CB C 66 38.948 40.716 -1.768 1
1 257 . 11 1 1 A 32 32 PHE N N 66 110.866 112.720 -1.854 1
1 258 . 11 1 1 A 33 33 THR H H 67 8.603 8.895 -0.292 1
1 259 . 11 1 1 A 33 33 THR HA H 67 5.377 5.217 0.160 1
1 262 . 11 1 1 A 33 33 THR C C 67 173.388 172.424 0.964 1
1 263 . 11 1 1 A 33 33 THR CA C 67 60.207 59.855 0.352 1
1 264 . 11 1 1 A 33 33 THR CB C 67 71.620 71.428 0.192 1
1 266 . 11 1 1 A 33 33 THR N N 67 114.847 115.179 -0.332 1
1 267 . 11 1 1 A 34 34 ALA H H 68 9.185 8.590 0.595 1
1 268 . 11 1 1 A 34 34 ALA HA H 68 4.873 4.897 -0.024 1
1 272 . 11 1 1 A 34 34 ALA C C 68 174.999 175.859 -0.860 1
1 273 . 11 1 1 A 34 34 ALA CA C 68 50.660 51.517 -0.857 1
1 274 . 11 1 1 A 34 34 ALA CB C 68 23.911 24.110 -0.199 1
1 275 . 11 1 1 A 34 34 ALA N N 68 125.817 129.689 -3.872 1
1 276 . 11 1 1 A 35 35 ALA H H 69 8.347 8.582 -0.235 1
1 277 . 11 1 1 A 35 35 ALA HA H 69 4.889 5.183 -0.294 1
1 281 . 11 1 1 A 35 35 ALA C C 69 176.937 176.838 0.099 1
1 282 . 11 1 1 A 35 35 ALA CA C 69 51.329 51.194 0.135 1
1 283 . 11 1 1 A 35 35 ALA CB C 69 19.210 20.287 -1.077 1
1 284 . 11 1 1 A 35 35 ALA N N 69 122.342 122.441 -0.099 1
1 285 . 11 1 1 A 36 36 ALA H H 70 8.468 9.007 -0.539 1
1 286 . 11 1 1 A 36 36 ALA HA H 70 4.996 5.130 -0.134 1
1 290 . 11 1 1 A 36 36 ALA C C 70 175.102 175.509 -0.407 1
1 291 . 11 1 1 A 36 36 ALA CA C 70 50.876 51.902 -1.026 1
1 292 . 11 1 1 A 36 36 ALA CB C 70 23.556 23.552 0.004 1
1 293 . 11 1 1 A 36 36 ALA N N 70 120.267 125.053 -4.786 1
1 294 . 11 1 1 A 37 37 HIS H H 71 9.136 8.820 0.316 1
1 295 . 11 1 1 A 37 37 HIS HA H 71 5.343 5.257 0.086 1
1 298 . 11 1 1 A 37 37 HIS C C 71 174.002 174.406 -0.404 1
1 299 . 11 1 1 A 37 37 HIS CA C 71 54.803 55.499 -0.696 1
1 300 . 11 1 1 A 37 37 HIS CB C 71 32.322 33.935 -1.613 1
1 301 . 11 1 1 A 37 37 HIS N N 71 119.360 116.506 2.854 1
1 302 . 11 1 1 A 38 38 VAL H H 72 8.557 8.929 -0.372 1
1 303 . 11 1 1 A 38 38 VAL HA H 72 4.174 4.562 -0.388 1
1 311 . 11 1 1 A 38 38 VAL C C 72 174.000 174.547 -0.547 1
1 312 . 11 1 1 A 38 38 VAL CA C 72 61.587 61.299 0.288 1
1 313 . 11 1 1 A 38 38 VAL CB C 72 31.381 32.191 -0.810 1
1 316 . 11 1 1 A 38 38 VAL N N 72 127.947 122.608 5.339 1
1 317 . 11 1 1 A 39 39 GLN H H 73 8.971 9.226 -0.255 1
1 318 . 11 1 1 A 39 39 GLN HA H 73 5.019 4.666 0.353 1
1 321 . 11 1 1 A 39 39 GLN C C 73 173.260 173.645 -0.385 1
1 322 . 11 1 1 A 39 39 GLN CA C 73 51.310 51.871 -0.561 1
1 323 . 11 1 1 A 39 39 GLN CB C 73 30.955 30.226 0.729 1
1 324 . 11 1 1 A 39 39 GLN N N 73 127.985 126.783 1.202 1
1 325 . 11 1 1 A 40 40 PRO HA H 74 4.707 4.317 0.390 1
1 329 . 11 1 1 A 40 40 PRO C C 74 3.820 176.598 -172.778 1
1 330 . 11 1 1 A 40 40 PRO CA C 74 176.828 62.199 114.629 1
1 331 . 11 1 1 A 40 40 PRO CB C 74 62.215 31.452 30.763 1
1 333 . 11 1 1 A 40 40 PRO N N 74 50.800 138.579 -87.779 1
1 334 . 11 1 1 A 41 41 ILE H H 75 8.105 8.147 -0.042 1
1 335 . 11 1 1 A 41 41 ILE HA H 75 4.074 4.297 -0.223 1
1 338 . 11 1 1 A 41 41 ILE C C 75 175.881 176.760 -0.879 1
1 339 . 11 1 1 A 41 41 ILE CA C 75 61.399 62.170 -0.771 1
1 340 . 11 1 1 A 41 41 ILE CB C 75 38.214 39.767 -1.553 1
1 342 . 11 1 1 A 41 41 ILE N N 75 122.818 121.163 1.655 1
1 343 . 11 1 1 A 43 43 GLN HA H 77 4.267 4.157 0.110 1
1 344 . 11 1 1 A 43 43 GLN C C 77 176.255 176.220 0.035 1
1 345 . 11 1 1 A 43 43 GLN CA C 77 56.500 54.540 1.960 1
1 346 . 11 1 1 A 43 43 GLN CB C 77 29.100 26.918 2.182 1
1 347 . 11 1 1 A 44 44 GLU H H 78 8.458 8.608 -0.150 1
1 348 . 11 1 1 A 44 44 GLU HA H 78 4.184 4.391 -0.207 1
1 351 . 11 1 1 A 44 44 GLU C C 78 177.000 176.246 0.754 1
1 352 . 11 1 1 A 44 44 GLU CA C 78 57.400 56.694 0.706 1
1 353 . 11 1 1 A 44 44 GLU CB C 78 29.148 30.558 -1.410 1
1 355 . 11 1 1 A 44 44 GLU N N 78 120.627 126.840 -6.213 1
1 356 . 11 1 1 A 45 45 GLU H H 79 8.283 7.883 0.400 1
1 357 . 11 1 1 A 45 45 GLU HA H 79 4.121 3.806 0.315 1
1 360 . 11 1 1 A 45 45 GLU C C 79 176.972 175.887 1.085 1
1 361 . 11 1 1 A 45 45 GLU CA C 79 57.106 57.058 0.048 1
1 362 . 11 1 1 A 45 45 GLU CB C 79 29.680 28.088 1.592 1
1 364 . 11 1 1 A 45 45 GLU N N 79 119.997 119.211 0.786 1
1 365 . 11 1 1 A 46 46 TYR H H 80 7.961 8.324 -0.363 1
1 366 . 11 1 1 A 46 46 TYR HA H 80 4.369 4.707 -0.338 1
1 369 . 11 1 1 A 46 46 TYR C C 80 176.086 174.919 1.167 1
1 370 . 11 1 1 A 46 46 TYR CA C 80 58.284 57.960 0.324 1
1 371 . 11 1 1 A 46 46 TYR CB C 80 38.214 38.754 -0.540 1
1 372 . 11 1 1 A 46 46 TYR N N 80 119.582 125.998 -6.416 1
1 373 . 11 1 1 A 47 47 TYR H H 81 7.918 7.872 0.046 1
1 374 . 11 1 1 A 47 47 TYR HA H 81 4.399 4.666 -0.267 1
1 378 . 11 1 1 A 47 47 TYR C C 81 176.566 175.121 1.445 1
1 379 . 11 1 1 A 47 47 TYR CA C 81 58.479 58.492 -0.013 1
1 380 . 11 1 1 A 47 47 TYR CB C 81 38.042 38.395 -0.353 1
1 381 . 11 1 1 A 47 47 TYR N N 81 119.336 117.808 1.528 1
1 382 . 11 1 1 A 48 48 LYS HA H 82 4.090 4.641 -0.551 1
1 383 . 11 1 1 A 48 48 LYS C C 82 176.894 176.002 0.892 1
1 384 . 11 1 1 A 48 48 LYS CA C 82 56.786 55.094 1.692 1
1 385 . 11 1 1 A 48 48 LYS CB C 82 32.306 34.078 -1.772 1
1 386 . 11 1 1 A 49 49 ALA H H 83 7.999 8.584 -0.585 1
1 387 . 11 1 1 A 49 49 ALA HA H 83 4.178 4.214 -0.036 1
1 391 . 11 1 1 A 49 49 ALA C C 83 178.193 176.619 1.574 1
1 392 . 11 1 1 A 49 49 ALA CA C 83 52.825 52.444 0.381 1
1 393 . 11 1 1 A 49 49 ALA CB C 83 18.200 19.708 -1.508 1
1 394 . 11 1 1 A 49 49 ALA N N 83 122.394 128.412 -6.018 1
1 395 . 11 1 1 A 50 50 GLN H H 84 8.006 7.625 0.381 1
1 396 . 11 1 1 A 50 50 GLN HA H 84 4.167 4.607 -0.440 1
1 400 . 11 1 1 A 50 50 GLN C C 84 176.200 175.202 0.998 1
1 401 . 11 1 1 A 50 50 GLN CA C 84 56.016 54.892 1.124 1
1 402 . 11 1 1 A 50 50 GLN CB C 84 28.467 30.187 -1.720 1
1 404 . 11 1 1 A 50 50 GLN N N 84 116.623 119.233 -2.610 1
1 405 . 11 1 1 A 51 51 GLN H H 85 8.085 8.728 -0.643 1
1 406 . 11 1 1 A 51 51 GLN HA H 85 4.223 4.912 -0.689 1
1 410 . 11 1 1 A 51 51 GLN CA C 85 56.393 54.634 1.759 1
1 411 . 11 1 1 A 51 51 GLN CB C 85 28.600 30.928 -2.328 1
1 413 . 11 1 1 A 51 51 GLN N N 85 118.681 125.914 -7.233 1
1 414 . 11 1 1 A 53 53 GLN HA H 87 4.268 4.205 0.063 1
1 415 . 11 1 1 A 53 53 GLN C C 87 175.517 175.055 0.462 1
1 416 . 11 1 1 A 53 53 GLN CA C 87 55.821 57.998 -2.177 1
1 417 . 11 1 1 A 53 53 GLN CB C 87 28.296 28.469 -0.173 1
1 418 . 11 1 1 A 54 54 THR H H 88 7.950 7.909 0.041 1
1 419 . 11 1 1 A 54 54 THR HA H 88 4.540 4.418 0.122 1
1 422 . 11 1 1 A 54 54 THR C C 88 172.445 172.970 -0.525 1
1 423 . 11 1 1 A 54 54 THR CA C 88 59.184 60.758 -1.574 1
1 424 . 11 1 1 A 54 54 THR CB C 88 69.534 69.476 0.058 1
1 426 . 11 1 1 A 54 54 THR N N 88 116.337 115.434 0.903 1
1 427 . 11 1 1 A 55 55 PRO HA H 89 4.410 4.722 -0.312 1
1 431 . 11 1 1 A 55 55 PRO C C 89 3.600 176.830 -173.230 1
1 432 . 11 1 1 A 55 55 PRO CA C 89 176.508 62.713 113.795 1
1 433 . 11 1 1 A 55 55 PRO CB C 89 62.325 32.829 29.496 1
1 436 . 11 1 1 A 55 55 PRO N N 89 50.400 140.893 -90.493 1
1 437 . 11 1 1 A 56 56 ILE H H 90 8.247 8.769 -0.522 1
1 438 . 11 1 1 A 56 56 ILE HA H 90 3.993 4.424 -0.431 1
1 443 . 11 1 1 A 56 56 ILE C C 90 175.132 176.267 -1.135 1
1 444 . 11 1 1 A 56 56 ILE CA C 90 60.718 61.773 -1.055 1
1 445 . 11 1 1 A 56 56 ILE CB C 90 38.277 39.801 -1.524 1
1 447 . 11 1 1 A 56 56 ILE N N 90 121.921 119.612 2.309 1
1 448 . 11 1 1 A 57 57 GLY H H 91 7.820 7.428 0.392 1
1 449 . 11 1 1 A 57 57 GLY HA2 H 91 4.550 4.051 0.499 1
1 450 . 11 1 1 A 57 57 GLY HA3 H 91 3.640 4.062 -0.422 1
1 451 . 11 1 1 A 57 57 GLY C C 91 172.184 170.940 1.244 1
1 452 . 11 1 1 A 57 57 GLY CA C 91 43.575 45.936 -2.361 1
1 453 . 11 1 1 A 57 57 GLY N N 91 110.987 106.750 4.237 1
1 454 . 11 1 1 A 58 58 TYR H H 92 8.593 8.664 -0.071 1
1 455 . 11 1 1 A 58 58 TYR HA H 92 5.166 5.285 -0.119 1
1 460 . 11 1 1 A 58 58 TYR C C 92 175.122 174.911 0.211 1
1 461 . 11 1 1 A 58 58 TYR CA C 92 56.544 56.590 -0.046 1
1 462 . 11 1 1 A 58 58 TYR CB C 92 43.819 41.356 2.463 1
1 465 . 11 1 1 A 58 58 TYR N N 92 116.307 119.543 -3.236 1
1 466 . 11 1 1 A 59 59 ASN H H 93 8.964 9.034 -0.070 1
1 467 . 11 1 1 A 59 59 ASN HA H 93 5.116 5.538 -0.422 1
1 470 . 11 1 1 A 59 59 ASN C C 93 173.457 174.433 -0.976 1
1 471 . 11 1 1 A 59 59 ASN CA C 93 52.717 52.851 -0.134 1
1 472 . 11 1 1 A 59 59 ASN CB C 93 40.420 40.284 0.136 1
1 473 . 11 1 1 A 59 59 ASN N N 93 119.232 121.235 -2.003 1
1 474 . 11 1 1 A 60 60 ILE H H 94 9.013 9.278 -0.265 1
1 475 . 11 1 1 A 60 60 ILE HA H 94 4.383 5.047 -0.664 1
1 476 . 11 1 1 A 60 60 ILE C C 94 173.370 174.549 -1.179 1
1 477 . 11 1 1 A 60 60 ILE CA C 94 60.231 59.825 0.406 1
1 478 . 11 1 1 A 60 60 ILE CB C 94 38.728 42.293 -3.565 1
1 479 . 11 1 1 A 60 60 ILE N N 94 123.021 124.242 -1.221 1
1 480 . 11 1 1 A 61 61 TYR H H 95 8.867 8.739 0.128 1
1 481 . 11 1 1 A 61 61 TYR HA H 95 5.279 5.935 -0.656 1
1 486 . 11 1 1 A 61 61 TYR C C 95 174.262 174.076 0.186 1
1 487 . 11 1 1 A 61 61 TYR CA C 95 55.732 55.462 0.270 1
1 488 . 11 1 1 A 61 61 TYR CB C 95 39.723 42.159 -2.436 1
1 491 . 11 1 1 A 61 61 TYR N N 95 125.343 123.973 1.370 1
1 492 . 11 1 1 A 62 62 THR H H 96 8.998 8.484 0.514 1
1 493 . 11 1 1 A 62 62 THR HA H 96 4.889 4.654 0.235 1
1 496 . 11 1 1 A 62 62 THR C C 96 172.708 172.094 0.614 1
1 497 . 11 1 1 A 62 62 THR CA C 96 58.248 59.053 -0.805 1
1 498 . 11 1 1 A 62 62 THR CB C 96 73.097 71.957 1.140 1
1 500 . 11 1 1 A 62 62 THR N N 96 119.223 119.320 -0.097 1
1 501 . 11 1 1 A 63 63 PRO HA H 97 4.410 4.499 -0.089 1
1 503 . 11 1 1 A 63 63 PRO C C 97 3.190 177.205 -174.015 1
1 504 . 11 1 1 A 63 63 PRO CA C 97 175.250 63.543 111.707 1
1 505 . 11 1 1 A 63 63 PRO CB C 97 63.642 31.473 32.169 1
1 507 . 11 1 1 A 63 63 PRO N N 97 51.700 139.886 -88.186 1
1 508 . 11 1 1 A 64 64 TYR H H 98 7.826 9.000 -1.174 1
1 509 . 11 1 1 A 64 64 TYR HA H 98 4.265 4.106 0.159 1
1 514 . 11 1 1 A 64 64 TYR C C 98 175.150 174.070 1.080 1
1 515 . 11 1 1 A 64 64 TYR CA C 98 59.434 59.225 0.209 1
1 516 . 11 1 1 A 64 64 TYR CB C 98 37.240 37.010 0.230 1
1 518 . 11 1 1 A 64 64 TYR N N 98 122.118 123.041 -0.923 1
1 519 . 11 1 1 A 65 65 ASP H H 99 5.931 7.807 -1.876 1
1 520 . 11 1 1 A 65 65 ASP HA H 99 4.255 4.661 -0.406 1
1 523 . 11 1 1 A 65 65 ASP C C 99 176.079 174.718 1.361 1
1 524 . 11 1 1 A 65 65 ASP CA C 99 52.885 53.608 -0.723 1
1 525 . 11 1 1 A 65 65 ASP CB C 99 43.486 41.946 1.540 1
1 526 . 11 1 1 A 65 65 ASP N N 99 125.409 120.061 5.348 1
1 527 . 11 1 1 A 66 66 ASP H H 100 8.703 8.582 0.121 1
1 528 . 11 1 1 A 66 66 ASP HA H 100 4.058 4.877 -0.819 1
1 531 . 11 1 1 A 66 66 ASP C C 100 176.300 176.249 0.051 1
1 532 . 11 1 1 A 66 66 ASP CA C 100 55.332 53.693 1.639 1
1 533 . 11 1 1 A 66 66 ASP CB C 100 40.206 40.915 -0.709 1
1 534 . 11 1 1 A 66 66 ASP N N 100 128.295 124.694 3.601 1
1 535 . 11 1 1 A 67 67 ARG H H 101 8.832 7.610 1.222 1
1 536 . 11 1 1 A 67 67 ARG HA H 101 3.944 4.128 -0.184 1
1 538 . 11 1 1 A 67 67 ARG C C 101 177.624 178.269 -0.645 1
1 539 . 11 1 1 A 67 67 ARG CA C 101 56.509 58.385 -1.876 1
1 540 . 11 1 1 A 67 67 ARG CB C 101 31.162 30.652 0.510 1
1 541 . 11 1 1 A 67 67 ARG N N 101 117.507 118.959 -1.452 1
1 542 . 11 1 1 A 68 68 ILE H H 102 7.004 7.731 -0.727 1
1 543 . 11 1 1 A 68 68 ILE HA H 102 3.507 3.911 -0.404 1
1 548 . 11 1 1 A 68 68 ILE C C 102 174.835 176.068 -1.233 1
1 549 . 11 1 1 A 68 68 ILE CA C 102 63.638 65.156 -1.518 1
1 550 . 11 1 1 A 68 68 ILE CB C 102 36.617 38.043 -1.426 1
1 552 . 11 1 1 A 68 68 ILE N N 102 116.003 120.238 -4.235 1
1 553 . 11 1 1 A 69 69 ASP H H 103 8.026 8.275 -0.249 1
1 554 . 11 1 1 A 69 69 ASP HA H 103 4.954 5.113 -0.159 1
1 557 . 11 1 1 A 69 69 ASP C C 103 175.574 174.248 1.326 1
1 558 . 11 1 1 A 69 69 ASP CA C 103 52.485 52.731 -0.246 1
1 559 . 11 1 1 A 69 69 ASP CB C 103 45.984 42.800 3.184 1
1 560 . 11 1 1 A 69 69 ASP N N 103 129.672 119.443 10.229 1
1 561 . 11 1 1 A 70 70 LYS H H 104 8.505 8.677 -0.172 1
1 562 . 11 1 1 A 70 70 LYS C C 104 175.300 175.467 -0.167 1
1 563 . 11 1 1 A 70 70 LYS CA C 104 58.027 55.592 2.435 1
1 564 . 11 1 1 A 70 70 LYS CB C 104 31.376 32.507 -1.131 1
1 565 . 11 1 1 A 70 70 LYS N N 104 119.646 126.218 -6.572 1
1 566 . 11 1 1 A 71 71 LYS H H 105 8.653 8.534 0.119 1
1 567 . 11 1 1 A 71 71 LYS HA H 105 4.513 3.690 0.823 1
1 571 . 11 1 1 A 71 71 LYS C C 105 178.190 174.813 3.377 1
1 572 . 11 1 1 A 71 71 LYS CA C 105 56.415 56.998 -0.583 1
1 573 . 11 1 1 A 71 71 LYS CB C 105 30.942 29.563 1.379 1
1 575 . 11 1 1 A 71 71 LYS N N 105 118.554 114.240 4.314 1
1 576 . 11 1 1 A 72 72 MET H H 106 7.596 6.756 0.840 1
1 577 . 11 1 1 A 72 72 MET HA H 106 5.019 4.566 0.453 1
1 578 . 11 1 1 A 72 72 MET C C 106 172.309 173.552 -1.243 1
1 579 . 11 1 1 A 72 72 MET CA C 106 56.500 53.492 3.008 1
1 580 . 11 1 1 A 72 72 MET CB C 106 34.892 34.761 0.131 1
1 581 . 11 1 1 A 72 72 MET N N 106 119.949 113.068 6.881 1
1 582 . 11 1 1 A 73 73 ARG H H 107 8.266 8.855 -0.589 1
1 583 . 11 1 1 A 73 73 ARG HA H 107 4.075 5.177 -1.102 1
1 585 . 11 1 1 A 73 73 ARG C C 107 172.995 173.666 -0.671 1
1 586 . 11 1 1 A 73 73 ARG CA C 107 53.348 54.970 -1.622 1
1 587 . 11 1 1 A 73 73 ARG CB C 107 31.579 34.092 -2.513 1
1 588 . 11 1 1 A 73 73 ARG N N 107 112.423 120.747 -8.324 1
1 589 . 11 1 1 A 74 74 VAL H H 108 8.371 8.763 -0.392 1
1 590 . 11 1 1 A 74 74 VAL HA H 108 4.954 4.949 0.005 1
1 598 . 11 1 1 A 74 74 VAL C C 108 173.137 173.609 -0.472 1
1 599 . 11 1 1 A 74 74 VAL CA C 108 58.400 59.513 -1.113 1
1 600 . 11 1 1 A 74 74 VAL CB C 108 35.700 34.267 1.433 1
1 603 . 11 1 1 A 74 74 VAL N N 108 117.751 124.617 -6.866 1
1 604 . 11 1 1 A 75 75 ILE H H 109 8.644 8.578 0.066 1
1 605 . 11 1 1 A 75 75 ILE HA H 109 4.772 4.868 -0.096 1
1 610 . 11 1 1 A 75 75 ILE C C 109 176.377 173.824 2.553 1
1 611 . 11 1 1 A 75 75 ILE CA C 109 57.500 59.704 -2.204 1
1 612 . 11 1 1 A 75 75 ILE CB C 109 35.550 39.779 -4.229 1
1 614 . 11 1 1 A 75 75 ILE N N 109 122.741 129.299 -6.558 1
1 615 . 11 1 1 A 76 76 TYR H H 110 8.928 8.855 0.073 1
1 616 . 11 1 1 A 76 76 TYR HA H 110 4.873 4.638 0.235 1
1 621 . 11 1 1 A 76 76 TYR C C 110 173.400 175.486 -2.086 1
1 622 . 11 1 1 A 76 76 TYR CA C 110 54.699 57.000 -2.301 1
1 623 . 11 1 1 A 76 76 TYR CB C 110 40.392 39.768 0.624 1
1 626 . 11 1 1 A 76 76 TYR N N 110 129.091 131.748 -2.657 1
1 627 . 11 1 1 A 77 77 ARG H H 111 9.206 8.774 0.432 1
1 628 . 11 1 1 A 77 77 ARG HA H 111 3.537 3.716 -0.179 1
1 633 . 11 1 1 A 77 77 ARG C C 111 176.065 175.075 0.990 1
1 634 . 11 1 1 A 77 77 ARG CA C 111 56.490 56.722 -0.232 1
1 635 . 11 1 1 A 77 77 ARG CB C 111 27.448 28.771 -1.323 1
1 636 . 11 1 1 A 77 77 ARG N N 111 126.774 127.095 -0.321 1
1 637 . 11 1 1 A 78 78 GLY H H 112 8.155 8.238 -0.083 1
1 638 . 11 1 1 A 78 78 GLY HA2 H 112 4.040 3.731 0.309 1
1 639 . 11 1 1 A 78 78 GLY HA3 H 112 3.540 3.742 -0.202 1
1 640 . 11 1 1 A 78 78 GLY C C 112 173.810 173.357 0.453 1
1 641 . 11 1 1 A 78 78 GLY CA C 112 45.284 45.406 -0.122 1
1 642 . 11 1 1 A 78 78 GLY N N 112 102.172 105.015 -2.843 1
1 643 . 11 1 1 A 79 79 LYS HA H 113 3.910 4.638 -0.728 1
1 644 . 11 1 1 A 79 79 LYS C C 113 174.750 174.792 -0.042 1
1 645 . 11 1 1 A 79 79 LYS CA C 113 53.808 54.878 -1.070 1
1 646 . 11 1 1 A 79 79 LYS CB C 113 33.298 34.809 -1.511 1
1 647 . 11 1 1 A 80 80 ILE H H 114 8.484 8.700 -0.216 1
1 648 . 11 1 1 A 80 80 ILE HA H 114 3.860 4.762 -0.902 1
1 653 . 11 1 1 A 80 80 ILE C C 114 174.732 175.236 -0.504 1
1 654 . 11 1 1 A 80 80 ILE CA C 114 61.130 60.527 0.603 1
1 655 . 11 1 1 A 80 80 ILE CB C 114 37.740 39.084 -1.344 1
1 657 . 11 1 1 A 80 80 ILE N N 114 121.186 128.333 -7.147 1
1 658 . 11 1 1 A 81 81 VAL H H 115 9.395 8.486 0.909 1
1 659 . 11 1 1 A 81 81 VAL HA H 115 4.645 5.257 -0.612 1
1 664 . 11 1 1 A 81 81 VAL C C 115 174.934 174.110 0.824 1
1 665 . 11 1 1 A 81 81 VAL CA C 115 60.401 59.728 0.673 1
1 666 . 11 1 1 A 81 81 VAL CB C 115 32.142 36.041 -3.899 1
1 668 . 11 1 1 A 81 81 VAL N N 115 129.212 124.221 4.991 1
1 669 . 11 1 1 A 82 82 THR H H 116 8.661 8.470 0.191 1
1 670 . 11 1 1 A 82 82 THR HA H 116 4.483 4.616 -0.133 1
1 673 . 11 1 1 A 82 82 THR C C 116 175.000 173.517 1.483 1
1 674 . 11 1 1 A 82 82 THR CA C 116 59.911 61.940 -2.029 1
1 675 . 11 1 1 A 82 82 THR CB C 116 69.844 69.256 0.588 1
1 677 . 11 1 1 A 82 82 THR N N 116 120.129 113.980 6.149 1
1 678 . 11 1 1 A 83 83 PHE H H 117 9.153 8.504 0.649 1
1 679 . 11 1 1 A 83 83 PHE HA H 117 5.003 4.619 0.384 1
1 681 . 11 1 1 A 83 83 PHE C C 117 177.126 175.128 1.998 1
1 682 . 11 1 1 A 83 83 PHE CA C 117 55.003 61.284 -6.281 1
1 683 . 11 1 1 A 83 83 PHE CB C 117 37.018 37.637 -0.619 1
1 684 . 11 1 1 A 83 83 PHE N N 117 123.251 120.534 2.717 1
1 685 . 11 1 1 A 84 84 ILE H H 118 8.882 8.489 0.393 1
1 686 . 11 1 1 A 84 84 ILE HA H 118 4.320 4.431 -0.111 1
1 695 . 11 1 1 A 84 84 ILE C C 118 175.958 175.545 0.413 1
1 696 . 11 1 1 A 84 84 ILE CA C 118 60.275 60.292 -0.017 1
1 697 . 11 1 1 A 84 84 ILE CB C 118 37.057 38.106 -1.049 1
1 700 . 11 1 1 A 84 84 ILE N N 118 122.450 120.786 1.664 1
1 701 . 11 1 1 A 85 85 GLY H H 119 8.198 8.639 -0.441 1
1 702 . 11 1 1 A 85 85 GLY HA2 H 119 4.050 4.403 -0.353 1
1 703 . 11 1 1 A 85 85 GLY HA3 H 119 3.900 4.406 -0.506 1
1 704 . 11 1 1 A 85 85 GLY C C 119 172.376 172.496 -0.120 1
1 705 . 11 1 1 A 85 85 GLY CA C 119 44.033 44.777 -0.744 1
1 706 . 11 1 1 A 85 85 GLY N N 119 112.995 114.511 -1.516 1
1 707 . 11 1 1 A 86 86 ASP H H 120 8.132 9.120 -0.988 1
1 708 . 11 1 1 A 86 86 ASP HA H 120 4.938 5.340 -0.402 1
1 711 . 11 1 1 A 86 86 ASP C C 120 175.418 174.236 1.182 1
1 712 . 11 1 1 A 86 86 ASP CA C 120 52.656 51.032 1.624 1
1 713 . 11 1 1 A 86 86 ASP CB C 120 40.163 44.139 -3.976 1
1 714 . 11 1 1 A 86 86 ASP N N 120 119.130 118.039 1.091 1
1 715 . 11 1 1 A 87 87 PRO HA H 121 4.470 4.931 -0.461 1
1 719 . 11 1 1 A 87 87 PRO CA C 121 175.750 62.156 113.594 1
1 720 . 11 1 1 A 87 87 PRO CB C 121 62.414 32.373 30.041 1
1 723 . 11 1 1 A 87 87 PRO N N 121 49.700 137.104 -87.404 1
1 724 . 11 1 1 A 88 88 VAL H H 122 8.707 8.396 0.311 1
1 725 . 11 1 1 A 88 88 VAL HA H 122 4.400 4.809 -0.409 1
1 733 . 11 1 1 A 88 88 VAL C C 122 174.250 173.861 0.389 1
1 734 . 11 1 1 A 88 88 VAL CA C 122 60.598 60.578 0.020 1
1 735 . 11 1 1 A 88 88 VAL CB C 122 34.847 35.640 -0.793 1
1 738 . 11 1 1 A 88 88 VAL N N 122 121.987 122.203 -0.216 1
1 739 . 11 1 1 A 89 89 ASP H H 123 8.437 8.605 -0.168 1
1 740 . 11 1 1 A 89 89 ASP HA H 123 5.068 5.186 -0.118 1
1 743 . 11 1 1 A 89 89 ASP C C 123 177.435 176.044 1.391 1
1 744 . 11 1 1 A 89 89 ASP CA C 123 52.751 52.540 0.211 1
1 745 . 11 1 1 A 89 89 ASP CB C 123 40.191 42.061 -1.870 1
1 746 . 11 1 1 A 89 89 ASP N N 123 125.856 124.731 1.125 1
1 747 . 11 1 1 A 90 90 LEU H H 124 8.793 8.530 0.263 1
1 748 . 11 1 1 A 90 90 LEU HA H 124 4.047 4.205 -0.158 1
1 749 . 11 1 1 A 90 90 LEU CA C 124 56.836 57.423 -0.587 1
1 750 . 11 1 1 A 90 90 LEU CB C 124 41.301 41.802 -0.501 1
1 751 . 11 1 1 A 90 90 LEU N N 124 128.178 126.648 1.530 1
1 752 . 11 1 1 A 91 91 SER H H 125 8.927 7.932 0.995 1
1 753 . 11 1 1 A 91 91 SER HA H 125 4.287 4.706 -0.419 1
1 754 . 11 1 1 A 91 91 SER C C 125 173.984 174.577 -0.593 1
1 755 . 11 1 1 A 91 91 SER CA C 125 58.498 57.612 0.886 1
1 756 . 11 1 1 A 91 91 SER CB C 125 63.600 63.466 0.134 1
1 757 . 11 1 1 A 91 91 SER N N 125 115.226 113.120 2.106 1
1 758 . 11 1 1 A 92 92 GLY H H 126 8.250 7.758 0.492 1
1 759 . 11 1 1 A 92 92 GLY HA2 H 126 3.950 3.933 0.017 1
1 760 . 11 1 1 A 92 92 GLY HA3 H 126 3.670 3.944 -0.274 1
1 761 . 11 1 1 A 92 92 GLY C C 126 174.700 174.935 -0.235 1
1 762 . 11 1 1 A 92 92 GLY CA C 126 45.900 46.053 -0.153 1
1 763 . 11 1 1 A 92 92 GLY N N 126 109.395 110.062 -0.667 1
1 764 . 11 1 1 A 94 94 GLN C C 128 174.459 175.160 -0.701 1
1 765 . 11 1 1 A 94 94 GLN CA C 128 56.434 53.726 2.708 1
1 766 . 11 1 1 A 94 94 GLN CB C 128 25.491 31.909 -6.418 1
1 767 . 11 1 1 A 95 95 GLU H H 129 8.474 8.253 0.221 1
1 768 . 11 1 1 A 95 95 GLU HA H 129 4.596 4.171 0.425 1
1 772 . 11 1 1 A 95 95 GLU C C 129 177.559 176.125 1.434 1
1 773 . 11 1 1 A 95 95 GLU CA C 129 57.183 58.660 -1.477 1
1 774 . 11 1 1 A 95 95 GLU CB C 129 31.432 29.320 2.112 1
1 775 . 11 1 1 A 95 95 GLU N N 129 115.145 117.374 -2.229 1
1 776 . 11 1 1 A 96 96 ILE H H 130 9.393 8.742 0.651 1
1 777 . 11 1 1 A 96 96 ILE HA H 130 4.660 4.803 -0.143 1
1 782 . 11 1 1 A 96 96 ILE C C 130 173.821 175.149 -1.328 1
1 783 . 11 1 1 A 96 96 ILE CA C 130 59.481 60.557 -1.076 1
1 784 . 11 1 1 A 96 96 ILE CB C 130 41.386 40.446 0.940 1
1 785 . 11 1 1 A 96 96 ILE N N 130 124.603 122.034 2.569 1
1 786 . 11 1 1 A 97 97 THR H H 131 9.341 8.530 0.811 1
1 787 . 11 1 1 A 97 97 THR HA H 131 5.135 5.009 0.126 1
1 790 . 11 1 1 A 97 97 THR C C 131 172.742 172.737 0.005 1
1 791 . 11 1 1 A 97 97 THR CA C 131 62.458 61.339 1.119 1
1 792 . 11 1 1 A 97 97 THR CB C 131 69.995 70.397 -0.402 1
1 794 . 11 1 1 A 97 97 THR N N 131 125.280 123.234 2.046 1
1 795 . 11 1 1 A 98 98 ARG H H 132 9.286 8.886 0.400 1
1 796 . 11 1 1 A 98 98 ARG HA H 132 5.263 5.285 -0.022 1
1 802 . 11 1 1 A 98 98 ARG C C 132 175.462 174.491 0.971 1
1 803 . 11 1 1 A 98 98 ARG CA C 132 53.122 54.454 -1.332 1
1 804 . 11 1 1 A 98 98 ARG CB C 132 32.555 33.433 -0.878 1
1 805 . 11 1 1 A 98 98 ARG N N 132 126.525 127.253 -0.728 1
1 806 . 11 1 1 A 99 99 ILE H H 133 9.338 9.200 0.138 1
1 807 . 11 1 1 A 99 99 ILE HA H 133 3.959 4.949 -0.990 1
1 816 . 11 1 1 A 99 99 ILE C C 133 173.860 174.473 -0.613 1
1 817 . 11 1 1 A 99 99 ILE CA C 133 59.719 59.704 0.015 1
1 818 . 11 1 1 A 99 99 ILE CB C 133 41.429 40.474 0.955 1
1 821 . 11 1 1 A 99 99 ILE N N 133 129.483 126.519 2.964 1
1 822 . 11 1 1 A 100 100 LYS H H 134 8.457 8.644 -0.187 1
1 823 . 11 1 1 A 100 100 LYS HA H 134 4.990 5.400 -0.410 1
1 824 . 11 1 1 A 100 100 LYS C C 134 175.750 175.376 0.374 1
1 825 . 11 1 1 A 100 100 LYS CA C 134 54.548 54.542 0.006 1
1 826 . 11 1 1 A 100 100 LYS CB C 134 32.800 36.020 -3.220 1
1 827 . 11 1 1 A 100 100 LYS N N 134 128.506 127.890 0.616 1
1 828 . 11 1 1 A 101 101 GLY H H 135 8.968 8.381 0.587 1
1 829 . 11 1 1 A 101 101 GLY HA2 H 135 5.350 4.538 0.812 1
1 830 . 11 1 1 A 101 101 GLY HA3 H 135 3.290 4.565 -1.275 1
1 831 . 11 1 1 A 101 101 GLY C C 135 171.558 172.146 -0.588 1
1 832 . 11 1 1 A 101 101 GLY CA C 135 44.286 45.116 -0.830 1
1 833 . 11 1 1 A 101 101 GLY N N 135 110.167 112.472 -2.305 1
1 834 . 11 1 1 A 102 102 LYS H H 136 9.158 8.701 0.457 1
1 835 . 11 1 1 A 102 102 LYS C C 136 174.516 174.483 0.033 1
1 836 . 11 1 1 A 102 102 LYS CA C 136 53.781 54.264 -0.483 1
1 837 . 11 1 1 A 102 102 LYS CB C 136 34.807 37.090 -2.283 1
1 838 . 11 1 1 A 102 102 LYS N N 136 119.838 117.503 2.335 1
1 839 . 11 1 1 A 103 103 GLU H H 137 8.711 9.005 -0.294 1
1 840 . 11 1 1 A 103 103 GLU HA H 137 4.709 5.196 -0.487 1
1 841 . 11 1 1 A 103 103 GLU C C 137 176.875 175.688 1.187 1
1 842 . 11 1 1 A 103 103 GLU CA C 137 56.833 54.837 1.996 1
1 843 . 11 1 1 A 103 103 GLU CB C 137 30.640 31.562 -0.922 1
1 844 . 11 1 1 A 103 103 GLU N N 137 124.293 119.117 5.176 1
1 845 . 11 1 1 A 104 104 ASP H H 138 9.334 9.629 -0.295 1
1 846 . 11 1 1 A 104 104 ASP HA H 138 4.954 4.662 0.292 1
1 849 . 11 1 1 A 104 104 ASP C C 138 175.340 176.189 -0.849 1
1 850 . 11 1 1 A 104 104 ASP CA C 138 53.107 55.356 -2.249 1
1 851 . 11 1 1 A 104 104 ASP CB C 138 42.374 39.586 2.788 1
1 852 . 11 1 1 A 104 104 ASP N N 138 127.542 121.390 6.152 1
1 853 . 11 1 1 A 105 105 GLY H H 139 7.732 7.683 0.049 1
1 854 . 11 1 1 A 105 105 GLY HA2 H 139 4.360 3.634 0.726 1
1 855 . 11 1 1 A 105 105 GLY HA3 H 139 3.800 3.771 0.029 1
1 856 . 11 1 1 A 105 105 GLY C C 139 172.374 174.113 -1.739 1
1 857 . 11 1 1 A 105 105 GLY CA C 139 43.800 44.828 -1.028 1
1 858 . 11 1 1 A 105 105 GLY N N 139 106.466 111.558 -5.092 1
1 859 . 11 1 1 A 106 106 ALA H H 140 8.191 7.626 0.565 1
1 860 . 11 1 1 A 106 106 ALA HA H 140 4.564 4.206 0.358 1
1 864 . 11 1 1 A 106 106 ALA C C 140 177.004 176.926 0.078 1
1 865 . 11 1 1 A 106 106 ALA CA C 140 51.406 51.227 0.179 1
1 866 . 11 1 1 A 106 106 ALA CB C 140 19.500 17.554 1.946 1
1 867 . 11 1 1 A 106 106 ALA N N 140 120.674 123.548 -2.874 1
1 868 . 11 1 1 A 107 107 TYR H H 141 8.458 7.333 1.125 1
1 869 . 11 1 1 A 107 107 TYR HA H 141 4.578 4.853 -0.275 1
1 873 . 11 1 1 A 107 107 TYR C C 141 174.746 175.769 -1.023 1
1 874 . 11 1 1 A 107 107 TYR CA C 141 56.554 56.532 0.022 1
1 875 . 11 1 1 A 107 107 TYR CB C 141 38.649 38.170 0.479 1
1 878 . 11 1 1 A 107 107 TYR N N 141 121.312 116.702 4.610 1
1 879 . 11 1 1 A 108 108 VAL H H 142 7.941 7.656 0.285 1
1 880 . 11 1 1 A 108 108 VAL HA H 142 4.008 4.325 -0.317 1
1 888 . 11 1 1 A 108 108 VAL C C 142 174.701 176.149 -1.448 1
1 889 . 11 1 1 A 108 108 VAL CA C 142 60.912 61.111 -0.199 1
1 890 . 11 1 1 A 108 108 VAL CB C 142 32.065 31.268 0.797 1
1 893 . 11 1 1 A 108 108 VAL N N 142 125.257 119.345 5.912 1
1 9 . 12 1 1 A 2 2 TYR H H 36 7.537 8.733 -1.196 1
1 10 . 12 1 1 A 2 2 TYR HA H 36 3.945 5.207 -1.262 1
1 15 . 12 1 1 A 2 2 TYR C C 36 176.000 174.008 1.992 1
1 16 . 12 1 1 A 2 2 TYR CA C 36 57.871 58.234 -0.363 1
1 17 . 12 1 1 A 2 2 TYR CB C 36 37.248 41.791 -4.543 1
1 18 . 12 1 1 A 2 2 TYR N N 36 117.048 119.783 -2.735 1
1 19 . 12 1 1 A 3 3 GLU H H 37 7.718 8.845 -1.127 1
1 20 . 12 1 1 A 3 3 GLU HA H 37 4.025 4.669 -0.644 1
1 24 . 12 1 1 A 3 3 GLU C C 37 176.100 176.615 -0.515 1
1 25 . 12 1 1 A 3 3 GLU CA C 37 56.788 57.121 -0.333 1
1 26 . 12 1 1 A 3 3 GLU CB C 37 29.527 31.745 -2.218 1
1 28 . 12 1 1 A 3 3 GLU N N 37 118.925 122.985 -4.060 1
1 29 . 12 1 1 A 4 4 GLU H H 38 7.866 7.856 0.010 1
1 30 . 12 1 1 A 4 4 GLU HA H 38 4.215 4.975 -0.760 1
1 35 . 12 1 1 A 4 4 GLU C C 38 176.205 174.783 1.422 1
1 36 . 12 1 1 A 4 4 GLU CA C 38 55.595 56.268 -0.673 1
1 37 . 12 1 1 A 4 4 GLU CB C 38 29.162 33.283 -4.121 1
1 38 . 12 1 1 A 4 4 GLU N N 38 116.623 115.776 0.847 1
1 39 . 12 1 1 A 5 5 PHE H H 39 8.087 8.831 -0.744 1
1 40 . 12 1 1 A 5 5 PHE HA H 39 4.780 4.737 0.043 1
1 46 . 12 1 1 A 5 5 PHE C C 39 176.758 175.583 1.175 1
1 47 . 12 1 1 A 5 5 PHE CA C 39 54.914 57.790 -2.876 1
1 48 . 12 1 1 A 5 5 PHE CB C 39 36.531 40.074 -3.543 1
1 49 . 12 1 1 A 5 5 PHE N N 39 121.852 124.133 -2.281 1
1 50 . 12 1 1 A 6 6 ARG HA H 40 4.515 4.045 0.470 1
1 51 . 12 1 1 A 6 6 ARG C C 40 176.376 174.747 1.629 1
1 52 . 12 1 1 A 6 6 ARG CA C 40 56.288 57.726 -1.438 1
1 53 . 12 1 1 A 6 6 ARG CB C 40 31.100 30.482 0.618 1
1 54 . 12 1 1 A 7 7 ASP H H 41 8.851 8.081 0.770 1
1 55 . 12 1 1 A 7 7 ASP HA H 41 5.182 5.144 0.038 1
1 57 . 12 1 1 A 7 7 ASP C C 41 175.379 174.302 1.077 1
1 58 . 12 1 1 A 7 7 ASP CA C 41 53.324 52.833 0.491 1
1 59 . 12 1 1 A 7 7 ASP CB C 41 44.292 44.133 0.159 1
1 60 . 12 1 1 A 7 7 ASP N N 41 119.795 118.207 1.588 1
1 61 . 12 1 1 A 8 8 VAL H H 42 8.580 8.588 -0.008 1
1 62 . 12 1 1 A 8 8 VAL HA H 42 4.856 4.465 0.391 1
1 70 . 12 1 1 A 8 8 VAL C C 42 175.170 175.240 -0.070 1
1 71 . 12 1 1 A 8 8 VAL CA C 42 61.398 61.949 -0.551 1
1 72 . 12 1 1 A 8 8 VAL CB C 42 33.643 32.422 1.221 1
1 75 . 12 1 1 A 8 8 VAL N N 42 120.042 123.525 -3.483 1
1 76 . 12 1 1 A 9 9 ILE H H 43 8.765 9.302 -0.537 1
1 77 . 12 1 1 A 9 9 ILE HA H 43 4.939 4.909 0.030 1
1 79 . 12 1 1 A 9 9 ILE C C 43 173.755 175.268 -1.513 1
1 80 . 12 1 1 A 9 9 ILE CA C 43 58.528 59.477 -0.949 1
1 81 . 12 1 1 A 9 9 ILE CB C 43 40.437 40.962 -0.525 1
1 82 . 12 1 1 A 9 9 ILE N N 43 117.778 128.324 -10.546 1
1 83 . 12 1 1 A 10 10 THR H H 44 7.834 8.482 -0.648 1
1 84 . 12 1 1 A 10 10 THR HA H 44 4.709 4.722 -0.013 1
1 87 . 12 1 1 A 10 10 THR C C 44 173.691 173.396 0.295 1
1 88 . 12 1 1 A 10 10 THR CA C 44 61.662 61.602 0.060 1
1 89 . 12 1 1 A 10 10 THR CB C 44 70.906 69.686 1.220 1
1 91 . 12 1 1 A 10 10 THR N N 44 116.613 118.847 -2.234 1
1 92 . 12 1 1 A 11 11 PHE H H 45 8.821 8.294 0.527 1
1 93 . 12 1 1 A 11 11 PHE HA H 45 4.807 4.693 0.114 1
1 94 . 12 1 1 A 11 11 PHE C C 45 175.619 175.729 -0.110 1
1 95 . 12 1 1 A 11 11 PHE CA C 45 57.779 57.839 -0.060 1
1 96 . 12 1 1 A 11 11 PHE CB C 45 39.649 40.059 -0.410 1
1 97 . 12 1 1 A 11 11 PHE N N 45 125.155 126.273 -1.118 1
1 98 . 12 1 1 A 12 12 GLN H H 46 9.103 8.740 0.363 1
1 99 . 12 1 1 A 12 12 GLN HA H 46 5.573 5.311 0.262 1
1 103 . 12 1 1 A 12 12 GLN C C 46 175.011 174.595 0.416 1
1 104 . 12 1 1 A 12 12 GLN CA C 46 54.423 54.153 0.270 1
1 105 . 12 1 1 A 12 12 GLN CB C 46 34.467 32.494 1.973 1
1 106 . 12 1 1 A 12 12 GLN N N 46 119.069 120.872 -1.803 1
1 107 . 12 1 1 A 13 13 SER H H 47 8.730 9.326 -0.596 1
1 108 . 12 1 1 A 13 13 SER HA H 47 5.229 5.680 -0.451 1
1 110 . 12 1 1 A 13 13 SER C C 47 171.559 171.866 -0.307 1
1 111 . 12 1 1 A 13 13 SER CA C 47 56.514 56.101 0.413 1
1 112 . 12 1 1 A 13 13 SER CB C 47 66.075 66.668 -0.593 1
1 113 . 12 1 1 A 13 13 SER N N 47 114.734 117.460 -2.726 1
1 114 . 12 1 1 A 14 14 TYR H H 48 8.544 8.844 -0.300 1
1 115 . 12 1 1 A 14 14 TYR HA H 48 4.256 4.879 -0.623 1
1 120 . 12 1 1 A 14 14 TYR C C 48 175.437 174.307 1.130 1
1 121 . 12 1 1 A 14 14 TYR CA C 48 56.137 56.031 0.106 1
1 122 . 12 1 1 A 14 14 TYR CB C 48 36.242 40.272 -4.030 1
1 125 . 12 1 1 A 14 14 TYR N N 48 126.962 126.368 0.594 1
1 126 . 12 1 1 A 15 15 VAL H H 49 8.537 8.567 -0.030 1
1 127 . 12 1 1 A 15 15 VAL HA H 49 4.360 4.666 -0.306 1
1 132 . 12 1 1 A 15 15 VAL C C 49 174.600 174.033 0.567 1
1 133 . 12 1 1 A 15 15 VAL CA C 49 62.600 60.080 2.520 1
1 134 . 12 1 1 A 15 15 VAL CB C 49 35.100 35.806 -0.706 1
1 136 . 12 1 1 A 15 15 VAL N N 49 123.837 126.613 -2.776 1
1 137 . 12 1 1 A 16 16 GLU H H 50 8.296 8.361 -0.065 1
1 138 . 12 1 1 A 16 16 GLU HA H 50 3.702 4.068 -0.366 1
1 142 . 12 1 1 A 16 16 GLU C C 50 175.947 175.830 0.117 1
1 143 . 12 1 1 A 16 16 GLU CA C 50 55.400 55.707 -0.307 1
1 144 . 12 1 1 A 16 16 GLU CB C 50 30.100 29.922 0.178 1
1 145 . 12 1 1 A 16 16 GLU N N 50 124.989 124.669 0.320 1
1 146 . 12 1 1 A 17 17 GLN H H 51 8.529 8.396 0.133 1
1 147 . 12 1 1 A 17 17 GLN HA H 51 4.415 4.875 -0.460 1
1 151 . 12 1 1 A 17 17 GLN C C 51 175.122 173.353 1.769 1
1 152 . 12 1 1 A 17 17 GLN CA C 51 54.060 54.295 -0.235 1
1 153 . 12 1 1 A 17 17 GLN CB C 51 29.943 32.360 -2.417 1
1 155 . 12 1 1 A 17 17 GLN N N 51 124.656 118.513 6.143 1
1 156 . 12 1 1 A 18 18 SER HA H 52 4.420 4.885 -0.465 1
1 157 . 12 1 1 A 18 18 SER C C 52 173.505 173.998 -0.493 1
1 158 . 12 1 1 A 18 18 SER CA C 52 58.279 58.173 0.106 1
1 159 . 12 1 1 A 18 18 SER CB C 52 63.835 63.588 0.247 1
1 160 . 12 1 1 A 19 19 ASN H H 53 8.109 8.829 -0.720 1
1 161 . 12 1 1 A 19 19 ASN HA H 53 4.399 4.762 -0.363 1
1 164 . 12 1 1 A 19 19 ASN C C 53 179.837 175.433 4.404 1
1 165 . 12 1 1 A 19 19 ASN CA C 53 54.664 54.484 0.180 1
1 166 . 12 1 1 A 19 19 ASN CB C 53 39.983 39.926 0.057 1
1 167 . 12 1 1 A 19 19 ASN N N 53 126.199 124.840 1.359 1
1 168 . 12 1 1 A 20 20 GLY H H 54 8.166 7.264 0.902 1
1 169 . 12 1 1 A 20 20 GLY HA2 H 54 3.911 4.017 -0.106 1
1 170 . 12 1 1 A 20 20 GLY C C 54 174.876 171.849 3.027 1
1 171 . 12 1 1 A 20 20 GLY CA C 54 45.206 45.024 0.182 1
1 172 . 12 1 1 A 20 20 GLY N N 54 113.067 103.494 9.573 1
1 173 . 12 1 1 A 22 22 GLY CA C 56 45.279 45.076 0.203 1
1 174 . 12 1 1 A 23 23 GLY H H 57 8.235 7.940 0.295 1
1 175 . 12 1 1 A 23 23 GLY HA2 H 57 3.929 4.104 -0.175 1
1 176 . 12 1 1 A 23 23 GLY C C 57 173.796 172.669 1.127 1
1 177 . 12 1 1 A 23 23 GLY CA C 57 45.348 46.045 -0.697 1
1 178 . 12 1 1 A 23 23 GLY N N 57 108.389 107.523 0.866 1
1 179 . 12 1 1 A 24 24 LYS HA H 58 4.804 4.882 -0.078 1
1 180 . 12 1 1 A 24 24 LYS C C 58 175.908 175.981 -0.073 1
1 181 . 12 1 1 A 24 24 LYS CA C 58 54.833 54.811 0.022 1
1 182 . 12 1 1 A 24 24 LYS CB C 58 34.402 34.674 -0.272 1
1 183 . 12 1 1 A 25 25 THR H H 59 8.413 8.318 0.095 1
1 184 . 12 1 1 A 25 25 THR HA H 59 4.482 5.376 -0.894 1
1 187 . 12 1 1 A 25 25 THR C C 59 171.934 172.588 -0.654 1
1 188 . 12 1 1 A 25 25 THR CA C 59 60.144 59.087 1.057 1
1 189 . 12 1 1 A 25 25 THR CB C 59 71.035 72.028 -0.993 1
1 191 . 12 1 1 A 25 25 THR N N 59 115.947 113.004 2.943 1
1 192 . 12 1 1 A 26 26 TYR H H 60 8.182 8.748 -0.566 1
1 193 . 12 1 1 A 26 26 TYR HA H 60 4.883 5.191 -0.308 1
1 198 . 12 1 1 A 26 26 TYR C C 60 173.593 173.756 -0.163 1
1 199 . 12 1 1 A 26 26 TYR CA C 60 54.043 55.835 -1.792 1
1 200 . 12 1 1 A 26 26 TYR CB C 60 40.100 39.799 0.301 1
1 202 . 12 1 1 A 26 26 TYR N N 60 121.985 119.604 2.381 1
1 203 . 12 1 1 A 27 27 LYS H H 61 8.385 9.068 -0.683 1
1 204 . 12 1 1 A 27 27 LYS HA H 61 4.563 4.993 -0.430 1
1 205 . 12 1 1 A 27 27 LYS C C 61 174.186 174.891 -0.705 1
1 206 . 12 1 1 A 27 27 LYS CA C 61 54.589 54.187 0.402 1
1 207 . 12 1 1 A 27 27 LYS CB C 61 35.801 36.150 -0.349 1
1 208 . 12 1 1 A 27 27 LYS N N 61 120.203 124.049 -3.846 1
1 209 . 12 1 1 A 28 28 TRP H H 62 8.524 8.962 -0.438 1
1 210 . 12 1 1 A 28 28 TRP HA H 62 5.361 5.500 -0.139 1
1 215 . 12 1 1 A 28 28 TRP C C 62 176.934 176.494 0.440 1
1 216 . 12 1 1 A 28 28 TRP CA C 62 56.499 56.767 -0.268 1
1 217 . 12 1 1 A 28 28 TRP CB C 62 29.300 30.435 -1.135 1
1 218 . 12 1 1 A 28 28 TRP N N 62 122.913 125.050 -2.137 1
1 220 . 12 1 1 A 29 29 VAL H H 63 9.470 9.163 0.307 1
1 221 . 12 1 1 A 29 29 VAL HA H 63 4.626 4.707 -0.081 1
1 229 . 12 1 1 A 29 29 VAL C C 63 175.264 174.959 0.305 1
1 230 . 12 1 1 A 29 29 VAL CA C 63 59.163 60.022 -0.859 1
1 231 . 12 1 1 A 29 29 VAL CB C 63 34.759 35.447 -0.688 1
1 234 . 12 1 1 A 29 29 VAL N N 63 120.454 123.293 -2.839 1
1 235 . 12 1 1 A 30 30 ASP H H 64 8.576 8.701 -0.125 1
1 236 . 12 1 1 A 30 30 ASP HA H 64 4.386 4.489 -0.103 1
1 237 . 12 1 1 A 30 30 ASP C C 64 174.186 175.743 -1.557 1
1 238 . 12 1 1 A 30 30 ASP CA C 64 55.907 54.900 1.007 1
1 239 . 12 1 1 A 30 30 ASP CB C 64 39.942 41.831 -1.889 1
1 240 . 12 1 1 A 30 30 ASP N N 64 123.588 126.643 -3.055 1
1 241 . 12 1 1 A 31 31 GLU H H 65 9.482 9.127 0.355 1
1 242 . 12 1 1 A 31 31 GLU HA H 65 4.674 4.430 0.244 1
1 246 . 12 1 1 A 31 31 GLU C C 65 176.000 176.175 -0.175 1
1 247 . 12 1 1 A 31 31 GLU CA C 65 57.263 58.015 -0.752 1
1 248 . 12 1 1 A 31 31 GLU CB C 65 30.200 31.516 -1.316 1
1 250 . 12 1 1 A 31 31 GLU N N 65 124.008 126.457 -2.449 1
1 251 . 12 1 1 A 32 32 PHE H H 66 7.257 7.145 0.112 1
1 252 . 12 1 1 A 32 32 PHE HA H 66 4.940 5.116 -0.176 1
1 254 . 12 1 1 A 32 32 PHE C C 66 172.742 172.258 0.484 1
1 255 . 12 1 1 A 32 32 PHE CA C 66 56.316 56.613 -0.297 1
1 256 . 12 1 1 A 32 32 PHE CB C 66 38.948 40.755 -1.807 1
1 257 . 12 1 1 A 32 32 PHE N N 66 110.866 112.912 -2.046 1
1 258 . 12 1 1 A 33 33 THR H H 67 8.603 8.874 -0.271 1
1 259 . 12 1 1 A 33 33 THR HA H 67 5.377 5.390 -0.013 1
1 262 . 12 1 1 A 33 33 THR C C 67 173.388 172.420 0.968 1
1 263 . 12 1 1 A 33 33 THR CA C 67 60.207 59.974 0.233 1
1 264 . 12 1 1 A 33 33 THR CB C 67 71.620 71.516 0.104 1
1 266 . 12 1 1 A 33 33 THR N N 67 114.847 114.954 -0.107 1
1 267 . 12 1 1 A 34 34 ALA H H 68 9.185 8.538 0.647 1
1 268 . 12 1 1 A 34 34 ALA HA H 68 4.873 4.868 0.005 1
1 272 . 12 1 1 A 34 34 ALA C C 68 174.999 175.747 -0.748 1
1 273 . 12 1 1 A 34 34 ALA CA C 68 50.660 51.439 -0.779 1
1 274 . 12 1 1 A 34 34 ALA CB C 68 23.911 23.701 0.210 1
1 275 . 12 1 1 A 34 34 ALA N N 68 125.817 129.322 -3.505 1
1 276 . 12 1 1 A 35 35 ALA H H 69 8.347 8.298 0.049 1
1 277 . 12 1 1 A 35 35 ALA HA H 69 4.889 4.889 0.000 1
1 281 . 12 1 1 A 35 35 ALA C C 69 176.937 176.404 0.533 1
1 282 . 12 1 1 A 35 35 ALA CA C 69 51.329 51.058 0.271 1
1 283 . 12 1 1 A 35 35 ALA CB C 69 19.210 19.744 -0.534 1
1 284 . 12 1 1 A 35 35 ALA N N 69 122.342 122.007 0.335 1
1 285 . 12 1 1 A 36 36 ALA H H 70 8.468 8.594 -0.126 1
1 286 . 12 1 1 A 36 36 ALA HA H 70 4.996 4.750 0.246 1
1 290 . 12 1 1 A 36 36 ALA C C 70 175.102 174.924 0.178 1
1 291 . 12 1 1 A 36 36 ALA CA C 70 50.876 51.525 -0.649 1
1 292 . 12 1 1 A 36 36 ALA CB C 70 23.556 23.155 0.401 1
1 293 . 12 1 1 A 36 36 ALA N N 70 120.267 122.879 -2.612 1
1 294 . 12 1 1 A 37 37 HIS H H 71 9.136 8.146 0.990 1
1 295 . 12 1 1 A 37 37 HIS HA H 71 5.343 5.050 0.293 1
1 298 . 12 1 1 A 37 37 HIS C C 71 174.002 173.357 0.645 1
1 299 . 12 1 1 A 37 37 HIS CA C 71 54.803 54.025 0.778 1
1 300 . 12 1 1 A 37 37 HIS CB C 71 32.322 30.810 1.512 1
1 301 . 12 1 1 A 37 37 HIS N N 71 119.360 118.811 0.549 1
1 302 . 12 1 1 A 38 38 VAL H H 72 8.557 8.943 -0.386 1
1 303 . 12 1 1 A 38 38 VAL HA H 72 4.174 4.616 -0.442 1
1 311 . 12 1 1 A 38 38 VAL C C 72 174.000 174.978 -0.978 1
1 312 . 12 1 1 A 38 38 VAL CA C 72 61.587 61.278 0.309 1
1 313 . 12 1 1 A 38 38 VAL CB C 72 31.381 32.897 -1.516 1
1 316 . 12 1 1 A 38 38 VAL N N 72 127.947 127.999 -0.052 1
1 317 . 12 1 1 A 39 39 GLN H H 73 8.971 9.057 -0.086 1
1 318 . 12 1 1 A 39 39 GLN HA H 73 5.019 4.343 0.676 1
1 321 . 12 1 1 A 39 39 GLN C C 73 173.260 172.510 0.750 1
1 322 . 12 1 1 A 39 39 GLN CA C 73 51.310 52.145 -0.835 1
1 323 . 12 1 1 A 39 39 GLN CB C 73 30.955 30.099 0.856 1
1 324 . 12 1 1 A 39 39 GLN N N 73 127.985 125.314 2.671 1
1 325 . 12 1 1 A 40 40 PRO HA H 74 4.707 3.699 1.008 1
1 329 . 12 1 1 A 40 40 PRO C C 74 3.820 176.302 -172.482 1
1 330 . 12 1 1 A 40 40 PRO CA C 74 176.828 61.935 114.893 1
1 331 . 12 1 1 A 40 40 PRO CB C 74 62.215 31.745 30.470 1
1 333 . 12 1 1 A 40 40 PRO N N 74 50.800 135.473 -84.673 1
1 334 . 12 1 1 A 41 41 ILE H H 75 8.105 7.904 0.201 1
1 335 . 12 1 1 A 41 41 ILE HA H 75 4.074 4.147 -0.073 1
1 338 . 12 1 1 A 41 41 ILE C C 75 175.881 174.810 1.071 1
1 339 . 12 1 1 A 41 41 ILE CA C 75 61.399 61.864 -0.465 1
1 340 . 12 1 1 A 41 41 ILE CB C 75 38.214 38.358 -0.144 1
1 342 . 12 1 1 A 41 41 ILE N N 75 122.818 123.020 -0.202 1
1 343 . 12 1 1 A 43 43 GLN HA H 77 4.267 4.550 -0.283 1
1 344 . 12 1 1 A 43 43 GLN C C 77 176.255 175.485 0.770 1
1 345 . 12 1 1 A 43 43 GLN CA C 77 56.500 55.074 1.426 1
1 346 . 12 1 1 A 43 43 GLN CB C 77 29.100 29.779 -0.679 1
1 347 . 12 1 1 A 44 44 GLU H H 78 8.458 8.663 -0.205 1
1 348 . 12 1 1 A 44 44 GLU HA H 78 4.184 4.204 -0.020 1
1 351 . 12 1 1 A 44 44 GLU C C 78 177.000 176.611 0.389 1
1 352 . 12 1 1 A 44 44 GLU CA C 78 57.400 58.576 -1.176 1
1 353 . 12 1 1 A 44 44 GLU CB C 78 29.148 29.936 -0.788 1
1 355 . 12 1 1 A 44 44 GLU N N 78 120.627 117.411 3.216 1
1 356 . 12 1 1 A 45 45 GLU H H 79 8.283 7.876 0.407 1
1 357 . 12 1 1 A 45 45 GLU HA H 79 4.121 4.612 -0.491 1
1 360 . 12 1 1 A 45 45 GLU C C 79 176.972 176.178 0.794 1
1 361 . 12 1 1 A 45 45 GLU CA C 79 57.106 55.678 1.428 1
1 362 . 12 1 1 A 45 45 GLU CB C 79 29.680 30.354 -0.674 1
1 364 . 12 1 1 A 45 45 GLU N N 79 119.997 119.700 0.297 1
1 365 . 12 1 1 A 46 46 TYR H H 80 7.961 8.662 -0.701 1
1 366 . 12 1 1 A 46 46 TYR HA H 80 4.369 4.504 -0.135 1
1 369 . 12 1 1 A 46 46 TYR C C 80 176.086 176.343 -0.257 1
1 370 . 12 1 1 A 46 46 TYR CA C 80 58.284 59.199 -0.915 1
1 371 . 12 1 1 A 46 46 TYR CB C 80 38.214 38.784 -0.570 1
1 372 . 12 1 1 A 46 46 TYR N N 80 119.582 126.574 -6.992 1
1 373 . 12 1 1 A 47 47 TYR H H 81 7.918 7.648 0.270 1
1 374 . 12 1 1 A 47 47 TYR HA H 81 4.399 4.681 -0.282 1
1 378 . 12 1 1 A 47 47 TYR C C 81 176.566 176.429 0.137 1
1 379 . 12 1 1 A 47 47 TYR CA C 81 58.479 56.627 1.852 1
1 380 . 12 1 1 A 47 47 TYR CB C 81 38.042 36.532 1.510 1
1 381 . 12 1 1 A 47 47 TYR N N 81 119.336 117.963 1.373 1
1 382 . 12 1 1 A 48 48 LYS HA H 82 4.090 4.604 -0.514 1
1 383 . 12 1 1 A 48 48 LYS C C 82 176.894 176.425 0.469 1
1 384 . 12 1 1 A 48 48 LYS CA C 82 56.786 55.299 1.487 1
1 385 . 12 1 1 A 48 48 LYS CB C 82 32.306 32.655 -0.349 1
1 386 . 12 1 1 A 49 49 ALA H H 83 7.999 8.119 -0.120 1
1 387 . 12 1 1 A 49 49 ALA HA H 83 4.178 4.087 0.091 1
1 391 . 12 1 1 A 49 49 ALA C C 83 178.193 177.450 0.743 1
1 392 . 12 1 1 A 49 49 ALA CA C 83 52.825 53.929 -1.104 1
1 393 . 12 1 1 A 49 49 ALA CB C 83 18.200 18.495 -0.295 1
1 394 . 12 1 1 A 49 49 ALA N N 83 122.394 122.663 -0.269 1
1 395 . 12 1 1 A 50 50 GLN H H 84 8.006 7.866 0.140 1
1 396 . 12 1 1 A 50 50 GLN HA H 84 4.167 4.508 -0.341 1
1 400 . 12 1 1 A 50 50 GLN C C 84 176.200 174.529 1.671 1
1 401 . 12 1 1 A 50 50 GLN CA C 84 56.016 54.944 1.072 1
1 402 . 12 1 1 A 50 50 GLN CB C 84 28.467 29.835 -1.368 1
1 404 . 12 1 1 A 50 50 GLN N N 84 116.623 116.847 -0.224 1
1 405 . 12 1 1 A 51 51 GLN H H 85 8.085 7.093 0.992 1
1 406 . 12 1 1 A 51 51 GLN HA H 85 4.223 4.896 -0.673 1
1 410 . 12 1 1 A 51 51 GLN CA C 85 56.393 53.712 2.681 1
1 411 . 12 1 1 A 51 51 GLN CB C 85 28.600 31.893 -3.293 1
1 413 . 12 1 1 A 51 51 GLN N N 85 118.681 121.604 -2.923 1
1 414 . 12 1 1 A 53 53 GLN HA H 87 4.268 4.685 -0.417 1
1 415 . 12 1 1 A 53 53 GLN C C 87 175.517 175.131 0.386 1
1 416 . 12 1 1 A 53 53 GLN CA C 87 55.821 54.919 0.902 1
1 417 . 12 1 1 A 53 53 GLN CB C 87 28.296 29.577 -1.281 1
1 418 . 12 1 1 A 54 54 THR H H 88 7.950 8.433 -0.483 1
1 419 . 12 1 1 A 54 54 THR HA H 88 4.540 5.067 -0.527 1
1 422 . 12 1 1 A 54 54 THR C C 88 172.445 172.844 -0.399 1
1 423 . 12 1 1 A 54 54 THR CA C 88 59.184 58.456 0.728 1
1 424 . 12 1 1 A 54 54 THR CB C 88 69.534 70.068 -0.534 1
1 426 . 12 1 1 A 54 54 THR N N 88 116.337 117.196 -0.859 1
1 427 . 12 1 1 A 55 55 PRO HA H 89 4.410 4.738 -0.328 1
1 431 . 12 1 1 A 55 55 PRO C C 89 3.600 176.512 -172.912 1
1 432 . 12 1 1 A 55 55 PRO CA C 89 176.508 62.375 114.133 1
1 433 . 12 1 1 A 55 55 PRO CB C 89 62.325 32.117 30.208 1
1 436 . 12 1 1 A 55 55 PRO N N 89 50.400 136.784 -86.384 1
1 437 . 12 1 1 A 56 56 ILE H H 90 8.247 8.813 -0.566 1
1 438 . 12 1 1 A 56 56 ILE HA H 90 3.993 4.428 -0.435 1
1 443 . 12 1 1 A 56 56 ILE C C 90 175.132 175.305 -0.173 1
1 444 . 12 1 1 A 56 56 ILE CA C 90 60.718 60.633 0.085 1
1 445 . 12 1 1 A 56 56 ILE CB C 90 38.277 39.164 -0.887 1
1 447 . 12 1 1 A 56 56 ILE N N 90 121.921 122.073 -0.152 1
1 448 . 12 1 1 A 57 57 GLY H H 91 7.820 7.575 0.245 1
1 449 . 12 1 1 A 57 57 GLY HA2 H 91 4.550 4.157 0.393 1
1 450 . 12 1 1 A 57 57 GLY HA3 H 91 3.640 4.204 -0.564 1
1 451 . 12 1 1 A 57 57 GLY C C 91 172.184 171.209 0.975 1
1 452 . 12 1 1 A 57 57 GLY CA C 91 43.575 46.006 -2.431 1
1 453 . 12 1 1 A 57 57 GLY N N 91 110.987 110.506 0.481 1
1 454 . 12 1 1 A 58 58 TYR H H 92 8.593 8.230 0.363 1
1 455 . 12 1 1 A 58 58 TYR HA H 92 5.166 5.404 -0.238 1
1 460 . 12 1 1 A 58 58 TYR C C 92 175.122 174.125 0.997 1
1 461 . 12 1 1 A 58 58 TYR CA C 92 56.544 56.707 -0.163 1
1 462 . 12 1 1 A 58 58 TYR CB C 92 43.819 42.905 0.914 1
1 465 . 12 1 1 A 58 58 TYR N N 92 116.307 119.506 -3.199 1
1 466 . 12 1 1 A 59 59 ASN H H 93 8.964 9.197 -0.233 1
1 467 . 12 1 1 A 59 59 ASN HA H 93 5.116 5.664 -0.548 1
1 470 . 12 1 1 A 59 59 ASN C C 93 173.457 173.463 -0.006 1
1 471 . 12 1 1 A 59 59 ASN CA C 93 52.717 51.881 0.836 1
1 472 . 12 1 1 A 59 59 ASN CB C 93 40.420 41.623 -1.203 1
1 473 . 12 1 1 A 59 59 ASN N N 93 119.232 119.730 -0.498 1
1 474 . 12 1 1 A 60 60 ILE H H 94 9.013 9.110 -0.097 1
1 475 . 12 1 1 A 60 60 ILE HA H 94 4.383 5.467 -1.084 1
1 476 . 12 1 1 A 60 60 ILE C C 94 173.370 173.972 -0.602 1
1 477 . 12 1 1 A 60 60 ILE CA C 94 60.231 58.735 1.496 1
1 478 . 12 1 1 A 60 60 ILE CB C 94 38.728 42.079 -3.351 1
1 479 . 12 1 1 A 60 60 ILE N N 94 123.021 126.282 -3.261 1
1 480 . 12 1 1 A 61 61 TYR H H 95 8.867 8.689 0.178 1
1 481 . 12 1 1 A 61 61 TYR HA H 95 5.279 5.930 -0.651 1
1 486 . 12 1 1 A 61 61 TYR C C 95 174.262 173.212 1.050 1
1 487 . 12 1 1 A 61 61 TYR CA C 95 55.732 55.063 0.669 1
1 488 . 12 1 1 A 61 61 TYR CB C 95 39.723 42.252 -2.529 1
1 491 . 12 1 1 A 61 61 TYR N N 95 125.343 123.685 1.658 1
1 492 . 12 1 1 A 62 62 THR H H 96 8.998 8.537 0.461 1
1 493 . 12 1 1 A 62 62 THR HA H 96 4.889 4.743 0.146 1
1 496 . 12 1 1 A 62 62 THR C C 96 172.708 171.840 0.868 1
1 497 . 12 1 1 A 62 62 THR CA C 96 58.248 58.130 0.118 1
1 498 . 12 1 1 A 62 62 THR CB C 96 73.097 72.464 0.633 1
1 500 . 12 1 1 A 62 62 THR N N 96 119.223 115.402 3.821 1
1 501 . 12 1 1 A 63 63 PRO HA H 97 4.410 4.536 -0.126 1
1 503 . 12 1 1 A 63 63 PRO C C 97 3.190 176.927 -173.737 1
1 504 . 12 1 1 A 63 63 PRO CA C 97 175.250 63.745 111.505 1
1 505 . 12 1 1 A 63 63 PRO CB C 97 63.642 31.622 32.020 1
1 507 . 12 1 1 A 63 63 PRO N N 97 51.700 140.559 -88.859 1
1 508 . 12 1 1 A 64 64 TYR H H 98 7.826 8.811 -0.985 1
1 509 . 12 1 1 A 64 64 TYR HA H 98 4.265 4.358 -0.093 1
1 514 . 12 1 1 A 64 64 TYR C C 98 175.150 174.427 0.723 1
1 515 . 12 1 1 A 64 64 TYR CA C 98 59.434 59.132 0.302 1
1 516 . 12 1 1 A 64 64 TYR CB C 98 37.240 38.175 -0.935 1
1 518 . 12 1 1 A 64 64 TYR N N 98 122.118 123.996 -1.878 1
1 519 . 12 1 1 A 65 65 ASP H H 99 5.931 7.766 -1.835 1
1 520 . 12 1 1 A 65 65 ASP HA H 99 4.255 4.396 -0.141 1
1 523 . 12 1 1 A 65 65 ASP C C 99 176.079 175.140 0.939 1
1 524 . 12 1 1 A 65 65 ASP CA C 99 52.885 52.887 -0.002 1
1 525 . 12 1 1 A 65 65 ASP CB C 99 43.486 39.609 3.877 1
1 526 . 12 1 1 A 65 65 ASP N N 99 125.409 123.046 2.363 1
1 527 . 12 1 1 A 66 66 ASP H H 100 8.703 8.849 -0.146 1
1 528 . 12 1 1 A 66 66 ASP HA H 100 4.058 4.752 -0.694 1
1 531 . 12 1 1 A 66 66 ASP C C 100 176.300 176.951 -0.651 1
1 532 . 12 1 1 A 66 66 ASP CA C 100 55.332 55.707 -0.375 1
1 533 . 12 1 1 A 66 66 ASP CB C 100 40.206 42.566 -2.360 1
1 534 . 12 1 1 A 66 66 ASP N N 100 128.295 126.924 1.371 1
1 535 . 12 1 1 A 67 67 ARG H H 101 8.832 7.903 0.929 1
1 536 . 12 1 1 A 67 67 ARG HA H 101 3.944 3.314 0.630 1
1 538 . 12 1 1 A 67 67 ARG C C 101 177.624 176.053 1.571 1
1 539 . 12 1 1 A 67 67 ARG CA C 101 56.509 57.852 -1.343 1
1 540 . 12 1 1 A 67 67 ARG CB C 101 31.162 30.749 0.413 1
1 541 . 12 1 1 A 67 67 ARG N N 101 117.507 118.716 -1.209 1
1 542 . 12 1 1 A 68 68 ILE H H 102 7.004 7.478 -0.474 1
1 543 . 12 1 1 A 68 68 ILE HA H 102 3.507 3.937 -0.430 1
1 548 . 12 1 1 A 68 68 ILE C C 102 174.835 175.354 -0.519 1
1 549 . 12 1 1 A 68 68 ILE CA C 102 63.638 61.607 2.031 1
1 550 . 12 1 1 A 68 68 ILE CB C 102 36.617 38.134 -1.517 1
1 552 . 12 1 1 A 68 68 ILE N N 102 116.003 117.245 -1.242 1
1 553 . 12 1 1 A 69 69 ASP H H 103 8.026 8.705 -0.679 1
1 554 . 12 1 1 A 69 69 ASP HA H 103 4.954 4.973 -0.019 1
1 557 . 12 1 1 A 69 69 ASP C C 103 175.574 175.503 0.071 1
1 558 . 12 1 1 A 69 69 ASP CA C 103 52.485 52.778 -0.293 1
1 559 . 12 1 1 A 69 69 ASP CB C 103 45.984 43.831 2.153 1
1 560 . 12 1 1 A 69 69 ASP N N 103 129.672 127.353 2.319 1
1 561 . 12 1 1 A 70 70 LYS H H 104 8.505 8.205 0.300 1
1 562 . 12 1 1 A 70 70 LYS C C 104 175.300 175.240 0.060 1
1 563 . 12 1 1 A 70 70 LYS CA C 104 58.027 55.487 2.540 1
1 564 . 12 1 1 A 70 70 LYS CB C 104 31.376 33.311 -1.935 1
1 565 . 12 1 1 A 70 70 LYS N N 104 119.646 118.342 1.304 1
1 566 . 12 1 1 A 71 71 LYS H H 105 8.653 8.218 0.435 1
1 567 . 12 1 1 A 71 71 LYS HA H 105 4.513 4.518 -0.005 1
1 571 . 12 1 1 A 71 71 LYS C C 105 178.190 175.074 3.116 1
1 572 . 12 1 1 A 71 71 LYS CA C 105 56.415 55.577 0.838 1
1 573 . 12 1 1 A 71 71 LYS CB C 105 30.942 31.761 -0.819 1
1 575 . 12 1 1 A 71 71 LYS N N 105 118.554 123.130 -4.576 1
1 576 . 12 1 1 A 72 72 MET H H 106 7.596 8.253 -0.657 1
1 577 . 12 1 1 A 72 72 MET HA H 106 5.019 5.392 -0.373 1
1 578 . 12 1 1 A 72 72 MET C C 106 172.309 174.698 -2.389 1
1 579 . 12 1 1 A 72 72 MET CA C 106 56.500 54.937 1.563 1
1 580 . 12 1 1 A 72 72 MET CB C 106 34.892 37.400 -2.508 1
1 581 . 12 1 1 A 72 72 MET N N 106 119.949 124.922 -4.973 1
1 582 . 12 1 1 A 73 73 ARG H H 107 8.266 8.696 -0.430 1
1 583 . 12 1 1 A 73 73 ARG HA H 107 4.075 4.929 -0.854 1
1 585 . 12 1 1 A 73 73 ARG C C 107 172.995 173.794 -0.799 1
1 586 . 12 1 1 A 73 73 ARG CA C 107 53.348 53.782 -0.434 1
1 587 . 12 1 1 A 73 73 ARG CB C 107 31.579 34.249 -2.670 1
1 588 . 12 1 1 A 73 73 ARG N N 107 112.423 117.690 -5.267 1
1 589 . 12 1 1 A 74 74 VAL H H 108 8.371 8.557 -0.186 1
1 590 . 12 1 1 A 74 74 VAL HA H 108 4.954 4.399 0.555 1
1 598 . 12 1 1 A 74 74 VAL C C 108 173.137 173.170 -0.033 1
1 599 . 12 1 1 A 74 74 VAL CA C 108 58.400 59.051 -0.651 1
1 600 . 12 1 1 A 74 74 VAL CB C 108 35.700 35.054 0.646 1
1 603 . 12 1 1 A 74 74 VAL N N 108 117.751 118.994 -1.243 1
1 604 . 12 1 1 A 75 75 ILE H H 109 8.644 8.858 -0.214 1
1 605 . 12 1 1 A 75 75 ILE HA H 109 4.772 4.609 0.163 1
1 610 . 12 1 1 A 75 75 ILE C C 109 176.377 173.805 2.572 1
1 611 . 12 1 1 A 75 75 ILE CA C 109 57.500 60.119 -2.619 1
1 612 . 12 1 1 A 75 75 ILE CB C 109 35.550 38.618 -3.068 1
1 614 . 12 1 1 A 75 75 ILE N N 109 122.741 127.917 -5.176 1
1 615 . 12 1 1 A 76 76 TYR H H 110 8.928 8.397 0.531 1
1 616 . 12 1 1 A 76 76 TYR HA H 110 4.873 4.774 0.099 1
1 621 . 12 1 1 A 76 76 TYR C C 110 173.400 175.572 -2.172 1
1 622 . 12 1 1 A 76 76 TYR CA C 110 54.699 56.984 -2.285 1
1 623 . 12 1 1 A 76 76 TYR CB C 110 40.392 39.618 0.774 1
1 626 . 12 1 1 A 76 76 TYR N N 110 129.091 129.497 -0.406 1
1 627 . 12 1 1 A 77 77 ARG H H 111 9.206 8.975 0.231 1
1 628 . 12 1 1 A 77 77 ARG HA H 111 3.537 3.773 -0.236 1
1 633 . 12 1 1 A 77 77 ARG C C 111 176.065 175.102 0.963 1
1 634 . 12 1 1 A 77 77 ARG CA C 111 56.490 56.829 -0.339 1
1 635 . 12 1 1 A 77 77 ARG CB C 111 27.448 28.643 -1.195 1
1 636 . 12 1 1 A 77 77 ARG N N 111 126.774 127.310 -0.536 1
1 637 . 12 1 1 A 78 78 GLY H H 112 8.155 8.275 -0.120 1
1 638 . 12 1 1 A 78 78 GLY HA2 H 112 4.040 3.760 0.280 1
1 639 . 12 1 1 A 78 78 GLY HA3 H 112 3.540 3.764 -0.224 1
1 640 . 12 1 1 A 78 78 GLY C C 112 173.810 173.427 0.383 1
1 641 . 12 1 1 A 78 78 GLY CA C 112 45.284 45.216 0.068 1
1 642 . 12 1 1 A 78 78 GLY N N 112 102.172 105.281 -3.109 1
1 643 . 12 1 1 A 79 79 LYS HA H 113 3.910 4.487 -0.577 1
1 644 . 12 1 1 A 79 79 LYS C C 113 174.750 175.434 -0.684 1
1 645 . 12 1 1 A 79 79 LYS CA C 113 53.808 54.908 -1.100 1
1 646 . 12 1 1 A 79 79 LYS CB C 113 33.298 33.623 -0.325 1
1 647 . 12 1 1 A 80 80 ILE H H 114 8.484 8.554 -0.070 1
1 648 . 12 1 1 A 80 80 ILE HA H 114 3.860 4.289 -0.429 1
1 653 . 12 1 1 A 80 80 ILE C C 114 174.732 175.073 -0.341 1
1 654 . 12 1 1 A 80 80 ILE CA C 114 61.130 60.583 0.547 1
1 655 . 12 1 1 A 80 80 ILE CB C 114 37.740 38.208 -0.468 1
1 657 . 12 1 1 A 80 80 ILE N N 114 121.186 122.126 -0.940 1
1 658 . 12 1 1 A 81 81 VAL H H 115 9.395 8.183 1.212 1
1 659 . 12 1 1 A 81 81 VAL HA H 115 4.645 4.469 0.176 1
1 664 . 12 1 1 A 81 81 VAL C C 115 174.934 174.532 0.402 1
1 665 . 12 1 1 A 81 81 VAL CA C 115 60.401 61.048 -0.647 1
1 666 . 12 1 1 A 81 81 VAL CB C 115 32.142 32.958 -0.816 1
1 668 . 12 1 1 A 81 81 VAL N N 115 129.212 127.606 1.606 1
1 669 . 12 1 1 A 82 82 THR H H 116 8.661 8.662 -0.001 1
1 670 . 12 1 1 A 82 82 THR HA H 116 4.483 4.563 -0.080 1
1 673 . 12 1 1 A 82 82 THR C C 116 175.000 173.700 1.300 1
1 674 . 12 1 1 A 82 82 THR CA C 116 59.911 62.321 -2.410 1
1 675 . 12 1 1 A 82 82 THR CB C 116 69.844 69.732 0.112 1
1 677 . 12 1 1 A 82 82 THR N N 116 120.129 123.004 -2.875 1
1 678 . 12 1 1 A 83 83 PHE H H 117 9.153 9.161 -0.008 1
1 679 . 12 1 1 A 83 83 PHE HA H 117 5.003 5.627 -0.624 1
1 681 . 12 1 1 A 83 83 PHE C C 117 177.126 172.932 4.194 1
1 682 . 12 1 1 A 83 83 PHE CA C 117 55.003 55.555 -0.552 1
1 683 . 12 1 1 A 83 83 PHE CB C 117 37.018 42.934 -5.916 1
1 684 . 12 1 1 A 83 83 PHE N N 117 123.251 122.939 0.312 1
1 685 . 12 1 1 A 84 84 ILE H H 118 8.882 8.562 0.320 1
1 686 . 12 1 1 A 84 84 ILE HA H 118 4.320 4.901 -0.581 1
1 695 . 12 1 1 A 84 84 ILE C C 118 175.958 174.971 0.987 1
1 696 . 12 1 1 A 84 84 ILE CA C 118 60.275 59.394 0.881 1
1 697 . 12 1 1 A 84 84 ILE CB C 118 37.057 40.184 -3.127 1
1 700 . 12 1 1 A 84 84 ILE N N 118 122.450 116.496 5.954 1
1 701 . 12 1 1 A 85 85 GLY H H 119 8.198 8.120 0.078 1
1 702 . 12 1 1 A 85 85 GLY HA2 H 119 4.050 4.037 0.013 1
1 703 . 12 1 1 A 85 85 GLY HA3 H 119 3.900 4.162 -0.262 1
1 704 . 12 1 1 A 85 85 GLY C C 119 172.376 171.209 1.167 1
1 705 . 12 1 1 A 85 85 GLY CA C 119 44.033 45.771 -1.738 1
1 706 . 12 1 1 A 85 85 GLY N N 119 112.995 110.576 2.419 1
1 707 . 12 1 1 A 86 86 ASP H H 120 8.132 8.286 -0.154 1
1 708 . 12 1 1 A 86 86 ASP HA H 120 4.938 5.230 -0.292 1
1 711 . 12 1 1 A 86 86 ASP C C 120 175.418 174.199 1.219 1
1 712 . 12 1 1 A 86 86 ASP CA C 120 52.656 51.189 1.467 1
1 713 . 12 1 1 A 86 86 ASP CB C 120 40.163 44.826 -4.663 1
1 714 . 12 1 1 A 86 86 ASP N N 120 119.130 119.724 -0.594 1
1 715 . 12 1 1 A 87 87 PRO HA H 121 4.470 4.729 -0.259 1
1 719 . 12 1 1 A 87 87 PRO CA C 121 175.750 62.234 113.516 1
1 720 . 12 1 1 A 87 87 PRO CB C 121 62.414 32.552 29.862 1
1 723 . 12 1 1 A 87 87 PRO N N 121 49.700 135.462 -85.762 1
1 724 . 12 1 1 A 88 88 VAL H H 122 8.707 8.476 0.231 1
1 725 . 12 1 1 A 88 88 VAL HA H 122 4.400 4.869 -0.469 1
1 733 . 12 1 1 A 88 88 VAL C C 122 174.250 174.199 0.051 1
1 734 . 12 1 1 A 88 88 VAL CA C 122 60.598 59.495 1.103 1
1 735 . 12 1 1 A 88 88 VAL CB C 122 34.847 35.699 -0.852 1
1 738 . 12 1 1 A 88 88 VAL N N 122 121.987 120.862 1.125 1
1 739 . 12 1 1 A 89 89 ASP H H 123 8.437 8.445 -0.008 1
1 740 . 12 1 1 A 89 89 ASP HA H 123 5.068 5.165 -0.097 1
1 743 . 12 1 1 A 89 89 ASP C C 123 177.435 176.560 0.875 1
1 744 . 12 1 1 A 89 89 ASP CA C 123 52.751 52.860 -0.109 1
1 745 . 12 1 1 A 89 89 ASP CB C 123 40.191 42.338 -2.147 1
1 746 . 12 1 1 A 89 89 ASP N N 123 125.856 127.756 -1.900 1
1 747 . 12 1 1 A 90 90 LEU H H 124 8.793 8.762 0.031 1
1 748 . 12 1 1 A 90 90 LEU HA H 124 4.047 4.479 -0.432 1
1 749 . 12 1 1 A 90 90 LEU CA C 124 56.836 54.988 1.848 1
1 750 . 12 1 1 A 90 90 LEU CB C 124 41.301 42.686 -1.385 1
1 751 . 12 1 1 A 90 90 LEU N N 124 128.178 123.310 4.868 1
1 752 . 12 1 1 A 91 91 SER H H 125 8.927 7.750 1.177 1
1 753 . 12 1 1 A 91 91 SER HA H 125 4.287 4.596 -0.309 1
1 754 . 12 1 1 A 91 91 SER C C 125 173.984 173.255 0.729 1
1 755 . 12 1 1 A 91 91 SER CA C 125 58.498 57.982 0.516 1
1 756 . 12 1 1 A 91 91 SER CB C 125 63.600 63.665 -0.065 1
1 757 . 12 1 1 A 91 91 SER N N 125 115.226 111.786 3.440 1
1 758 . 12 1 1 A 92 92 GLY H H 126 8.250 8.594 -0.344 1
1 759 . 12 1 1 A 92 92 GLY HA2 H 126 3.950 4.209 -0.259 1
1 760 . 12 1 1 A 92 92 GLY HA3 H 126 3.670 4.290 -0.620 1
1 761 . 12 1 1 A 92 92 GLY C C 126 174.700 174.301 0.399 1
1 762 . 12 1 1 A 92 92 GLY CA C 126 45.900 43.728 2.172 1
1 763 . 12 1 1 A 92 92 GLY N N 126 109.395 110.223 -0.828 1
1 764 . 12 1 1 A 94 94 GLN C C 128 174.459 175.263 -0.804 1
1 765 . 12 1 1 A 94 94 GLN CA C 128 56.434 54.380 2.054 1
1 766 . 12 1 1 A 94 94 GLN CB C 128 25.491 27.245 -1.754 1
1 767 . 12 1 1 A 95 95 GLU H H 129 8.474 8.722 -0.248 1
1 768 . 12 1 1 A 95 95 GLU HA H 129 4.596 4.012 0.584 1
1 772 . 12 1 1 A 95 95 GLU C C 129 177.559 175.188 2.371 1
1 773 . 12 1 1 A 95 95 GLU CA C 129 57.183 56.202 0.981 1
1 774 . 12 1 1 A 95 95 GLU CB C 129 31.432 27.872 3.560 1
1 775 . 12 1 1 A 95 95 GLU N N 129 115.145 124.025 -8.880 1
1 776 . 12 1 1 A 96 96 ILE H H 130 9.393 7.947 1.446 1
1 777 . 12 1 1 A 96 96 ILE HA H 130 4.660 4.750 -0.090 1
1 782 . 12 1 1 A 96 96 ILE C C 130 173.821 174.068 -0.247 1
1 783 . 12 1 1 A 96 96 ILE CA C 130 59.481 60.489 -1.008 1
1 784 . 12 1 1 A 96 96 ILE CB C 130 41.386 41.384 0.002 1
1 785 . 12 1 1 A 96 96 ILE N N 130 124.603 123.945 0.658 1
1 786 . 12 1 1 A 97 97 THR H H 131 9.341 8.926 0.415 1
1 787 . 12 1 1 A 97 97 THR HA H 131 5.135 5.182 -0.047 1
1 790 . 12 1 1 A 97 97 THR C C 131 172.742 174.315 -1.573 1
1 791 . 12 1 1 A 97 97 THR CA C 131 62.458 60.288 2.170 1
1 792 . 12 1 1 A 97 97 THR CB C 131 69.995 70.349 -0.354 1
1 794 . 12 1 1 A 97 97 THR N N 131 125.280 121.942 3.338 1
1 795 . 12 1 1 A 98 98 ARG H H 132 9.286 8.834 0.452 1
1 796 . 12 1 1 A 98 98 ARG HA H 132 5.263 5.244 0.019 1
1 802 . 12 1 1 A 98 98 ARG C C 132 175.462 174.539 0.923 1
1 803 . 12 1 1 A 98 98 ARG CA C 132 53.122 54.648 -1.526 1
1 804 . 12 1 1 A 98 98 ARG CB C 132 32.555 33.607 -1.052 1
1 805 . 12 1 1 A 98 98 ARG N N 132 126.525 121.976 4.549 1
1 806 . 12 1 1 A 99 99 ILE H H 133 9.338 9.069 0.269 1
1 807 . 12 1 1 A 99 99 ILE HA H 133 3.959 5.015 -1.056 1
1 816 . 12 1 1 A 99 99 ILE C C 133 173.860 174.208 -0.348 1
1 817 . 12 1 1 A 99 99 ILE CA C 133 59.719 59.131 0.588 1
1 818 . 12 1 1 A 99 99 ILE CB C 133 41.429 42.314 -0.885 1
1 821 . 12 1 1 A 99 99 ILE N N 133 129.483 122.297 7.186 1
1 822 . 12 1 1 A 100 100 LYS H H 134 8.457 8.835 -0.378 1
1 823 . 12 1 1 A 100 100 LYS HA H 134 4.990 5.147 -0.157 1
1 824 . 12 1 1 A 100 100 LYS C C 134 175.750 174.725 1.025 1
1 825 . 12 1 1 A 100 100 LYS CA C 134 54.548 54.602 -0.054 1
1 826 . 12 1 1 A 100 100 LYS CB C 134 32.800 35.787 -2.987 1
1 827 . 12 1 1 A 100 100 LYS N N 134 128.506 125.989 2.517 1
1 828 . 12 1 1 A 101 101 GLY H H 135 8.968 8.240 0.728 1
1 829 . 12 1 1 A 101 101 GLY HA2 H 135 5.350 4.136 1.214 1
1 830 . 12 1 1 A 101 101 GLY HA3 H 135 3.290 4.364 -1.074 1
1 831 . 12 1 1 A 101 101 GLY C C 135 171.558 172.609 -1.051 1
1 832 . 12 1 1 A 101 101 GLY CA C 135 44.286 44.759 -0.473 1
1 833 . 12 1 1 A 101 101 GLY N N 135 110.167 108.293 1.874 1
1 834 . 12 1 1 A 102 102 LYS H H 136 9.158 9.078 0.080 1
1 835 . 12 1 1 A 102 102 LYS C C 136 174.516 175.089 -0.573 1
1 836 . 12 1 1 A 102 102 LYS CA C 136 53.781 54.122 -0.341 1
1 837 . 12 1 1 A 102 102 LYS CB C 136 34.807 36.528 -1.721 1
1 838 . 12 1 1 A 102 102 LYS N N 136 119.838 117.233 2.605 1
1 839 . 12 1 1 A 103 103 GLU H H 137 8.711 9.365 -0.654 1
1 840 . 12 1 1 A 103 103 GLU HA H 137 4.709 5.127 -0.418 1
1 841 . 12 1 1 A 103 103 GLU C C 137 176.875 174.459 2.416 1
1 842 . 12 1 1 A 103 103 GLU CA C 137 56.833 54.868 1.965 1
1 843 . 12 1 1 A 103 103 GLU CB C 137 30.640 31.185 -0.545 1
1 844 . 12 1 1 A 103 103 GLU N N 137 124.293 118.940 5.353 1
1 845 . 12 1 1 A 104 104 ASP H H 138 9.334 8.640 0.694 1
1 846 . 12 1 1 A 104 104 ASP HA H 138 4.954 4.828 0.126 1
1 849 . 12 1 1 A 104 104 ASP C C 138 175.340 175.457 -0.117 1
1 850 . 12 1 1 A 104 104 ASP CA C 138 53.107 55.591 -2.484 1
1 851 . 12 1 1 A 104 104 ASP CB C 138 42.374 43.191 -0.817 1
1 852 . 12 1 1 A 104 104 ASP N N 138 127.542 122.525 5.017 1
1 853 . 12 1 1 A 105 105 GLY H H 139 7.732 7.890 -0.158 1
1 854 . 12 1 1 A 105 105 GLY HA2 H 139 4.360 4.095 0.265 1
1 855 . 12 1 1 A 105 105 GLY HA3 H 139 3.800 4.149 -0.349 1
1 856 . 12 1 1 A 105 105 GLY C C 139 172.374 173.965 -1.591 1
1 857 . 12 1 1 A 105 105 GLY CA C 139 43.800 46.172 -2.372 1
1 858 . 12 1 1 A 105 105 GLY N N 139 106.466 105.452 1.014 1
1 859 . 12 1 1 A 106 106 ALA H H 140 8.191 7.832 0.359 1
1 860 . 12 1 1 A 106 106 ALA HA H 140 4.564 4.436 0.128 1
1 864 . 12 1 1 A 106 106 ALA C C 140 177.004 178.347 -1.343 1
1 865 . 12 1 1 A 106 106 ALA CA C 140 51.406 53.005 -1.599 1
1 866 . 12 1 1 A 106 106 ALA CB C 140 19.500 19.666 -0.166 1
1 867 . 12 1 1 A 106 106 ALA N N 140 120.674 123.749 -3.075 1
1 868 . 12 1 1 A 107 107 TYR H H 141 8.458 7.740 0.718 1
1 869 . 12 1 1 A 107 107 TYR HA H 141 4.578 4.099 0.479 1
1 873 . 12 1 1 A 107 107 TYR C C 141 174.746 176.065 -1.319 1
1 874 . 12 1 1 A 107 107 TYR CA C 141 56.554 61.587 -5.033 1
1 875 . 12 1 1 A 107 107 TYR CB C 141 38.649 36.879 1.770 1
1 878 . 12 1 1 A 107 107 TYR N N 141 121.312 114.478 6.834 1
1 879 . 12 1 1 A 108 108 VAL H H 142 7.941 7.844 0.097 1
1 880 . 12 1 1 A 108 108 VAL HA H 142 4.008 4.449 -0.441 1
1 888 . 12 1 1 A 108 108 VAL C C 142 174.701 176.857 -2.156 1
1 889 . 12 1 1 A 108 108 VAL CA C 142 60.912 61.615 -0.703 1
1 890 . 12 1 1 A 108 108 VAL CB C 142 32.065 33.433 -1.368 1
1 893 . 12 1 1 A 108 108 VAL N N 142 125.257 114.965 10.292 1
1 9 . 13 1 1 A 2 2 TYR H H 36 7.537 7.751 -0.214 1
1 10 . 13 1 1 A 2 2 TYR HA H 36 3.945 5.248 -1.303 1
1 15 . 13 1 1 A 2 2 TYR C C 36 176.000 174.441 1.559 1
1 16 . 13 1 1 A 2 2 TYR CA C 36 57.871 56.480 1.391 1
1 17 . 13 1 1 A 2 2 TYR CB C 36 37.248 42.569 -5.321 1
1 18 . 13 1 1 A 2 2 TYR N N 36 117.048 116.830 0.218 1
1 19 . 13 1 1 A 3 3 GLU H H 37 7.718 8.944 -1.226 1
1 20 . 13 1 1 A 3 3 GLU HA H 37 4.025 4.577 -0.552 1
1 24 . 13 1 1 A 3 3 GLU C C 37 176.100 176.177 -0.077 1
1 25 . 13 1 1 A 3 3 GLU CA C 37 56.788 55.895 0.893 1
1 26 . 13 1 1 A 3 3 GLU CB C 37 29.527 28.091 1.436 1
1 28 . 13 1 1 A 3 3 GLU N N 37 118.925 121.987 -3.062 1
1 29 . 13 1 1 A 4 4 GLU H H 38 7.866 8.137 -0.271 1
1 30 . 13 1 1 A 4 4 GLU HA H 38 4.215 4.020 0.195 1
1 35 . 13 1 1 A 4 4 GLU C C 38 176.205 176.443 -0.238 1
1 36 . 13 1 1 A 4 4 GLU CA C 38 55.595 59.052 -3.457 1
1 37 . 13 1 1 A 4 4 GLU CB C 38 29.162 28.178 0.984 1
1 38 . 13 1 1 A 4 4 GLU N N 38 116.623 114.797 1.826 1
1 39 . 13 1 1 A 5 5 PHE H H 39 8.087 8.553 -0.466 1
1 40 . 13 1 1 A 5 5 PHE HA H 39 4.780 4.135 0.645 1
1 46 . 13 1 1 A 5 5 PHE C C 39 176.758 175.761 0.997 1
1 47 . 13 1 1 A 5 5 PHE CA C 39 54.914 60.461 -5.547 1
1 48 . 13 1 1 A 5 5 PHE CB C 39 36.531 39.447 -2.916 1
1 49 . 13 1 1 A 5 5 PHE N N 39 121.852 120.708 1.144 1
1 50 . 13 1 1 A 6 6 ARG HA H 40 4.515 4.034 0.481 1
1 51 . 13 1 1 A 6 6 ARG C C 40 176.376 174.336 2.040 1
1 52 . 13 1 1 A 6 6 ARG CA C 40 56.288 57.176 -0.888 1
1 53 . 13 1 1 A 6 6 ARG CB C 40 31.100 28.817 2.283 1
1 54 . 13 1 1 A 7 7 ASP H H 41 8.851 7.629 1.222 1
1 55 . 13 1 1 A 7 7 ASP HA H 41 5.182 4.997 0.185 1
1 57 . 13 1 1 A 7 7 ASP C C 41 175.379 175.441 -0.062 1
1 58 . 13 1 1 A 7 7 ASP CA C 41 53.324 52.300 1.024 1
1 59 . 13 1 1 A 7 7 ASP CB C 41 44.292 42.162 2.130 1
1 60 . 13 1 1 A 7 7 ASP N N 41 119.795 118.450 1.345 1
1 61 . 13 1 1 A 8 8 VAL H H 42 8.580 8.432 0.148 1
1 62 . 13 1 1 A 8 8 VAL HA H 42 4.856 4.787 0.069 1
1 70 . 13 1 1 A 8 8 VAL C C 42 175.170 175.215 -0.045 1
1 71 . 13 1 1 A 8 8 VAL CA C 42 61.398 60.974 0.424 1
1 72 . 13 1 1 A 8 8 VAL CB C 42 33.643 33.587 0.056 1
1 75 . 13 1 1 A 8 8 VAL N N 42 120.042 118.254 1.788 1
1 76 . 13 1 1 A 9 9 ILE H H 43 8.765 8.856 -0.091 1
1 77 . 13 1 1 A 9 9 ILE HA H 43 4.939 4.667 0.272 1
1 79 . 13 1 1 A 9 9 ILE C C 43 173.755 174.682 -0.927 1
1 80 . 13 1 1 A 9 9 ILE CA C 43 58.528 59.136 -0.608 1
1 81 . 13 1 1 A 9 9 ILE CB C 43 40.437 41.065 -0.628 1
1 82 . 13 1 1 A 9 9 ILE N N 43 117.778 126.955 -9.177 1
1 83 . 13 1 1 A 10 10 THR H H 44 7.834 7.940 -0.106 1
1 84 . 13 1 1 A 10 10 THR HA H 44 4.709 4.623 0.086 1
1 87 . 13 1 1 A 10 10 THR C C 44 173.691 173.416 0.275 1
1 88 . 13 1 1 A 10 10 THR CA C 44 61.662 61.325 0.337 1
1 89 . 13 1 1 A 10 10 THR CB C 44 70.906 69.749 1.157 1
1 91 . 13 1 1 A 10 10 THR N N 44 116.613 118.439 -1.826 1
1 92 . 13 1 1 A 11 11 PHE H H 45 8.821 8.392 0.429 1
1 93 . 13 1 1 A 11 11 PHE HA H 45 4.807 5.095 -0.288 1
1 94 . 13 1 1 A 11 11 PHE C C 45 175.619 175.262 0.357 1
1 95 . 13 1 1 A 11 11 PHE CA C 45 57.779 56.540 1.239 1
1 96 . 13 1 1 A 11 11 PHE CB C 45 39.649 40.708 -1.059 1
1 97 . 13 1 1 A 11 11 PHE N N 45 125.155 126.252 -1.097 1
1 98 . 13 1 1 A 12 12 GLN H H 46 9.103 8.655 0.448 1
1 99 . 13 1 1 A 12 12 GLN HA H 46 5.573 5.083 0.490 1
1 103 . 13 1 1 A 12 12 GLN C C 46 175.011 174.392 0.619 1
1 104 . 13 1 1 A 12 12 GLN CA C 46 54.423 54.277 0.146 1
1 105 . 13 1 1 A 12 12 GLN CB C 46 34.467 32.459 2.008 1
1 106 . 13 1 1 A 12 12 GLN N N 46 119.069 122.114 -3.045 1
1 107 . 13 1 1 A 13 13 SER H H 47 8.730 8.817 -0.087 1
1 108 . 13 1 1 A 13 13 SER HA H 47 5.229 5.293 -0.064 1
1 110 . 13 1 1 A 13 13 SER C C 47 171.559 172.137 -0.578 1
1 111 . 13 1 1 A 13 13 SER CA C 47 56.514 56.874 -0.360 1
1 112 . 13 1 1 A 13 13 SER CB C 47 66.075 65.163 0.912 1
1 113 . 13 1 1 A 13 13 SER N N 47 114.734 116.369 -1.635 1
1 114 . 13 1 1 A 14 14 TYR H H 48 8.544 8.867 -0.323 1
1 115 . 13 1 1 A 14 14 TYR HA H 48 4.256 5.020 -0.764 1
1 120 . 13 1 1 A 14 14 TYR C C 48 175.437 173.448 1.989 1
1 121 . 13 1 1 A 14 14 TYR CA C 48 56.137 56.031 0.106 1
1 122 . 13 1 1 A 14 14 TYR CB C 48 36.242 41.404 -5.162 1
1 125 . 13 1 1 A 14 14 TYR N N 48 126.962 126.297 0.665 1
1 126 . 13 1 1 A 15 15 VAL H H 49 8.537 8.726 -0.189 1
1 127 . 13 1 1 A 15 15 VAL HA H 49 4.360 4.717 -0.357 1
1 132 . 13 1 1 A 15 15 VAL C C 49 174.600 174.510 0.090 1
1 133 . 13 1 1 A 15 15 VAL CA C 49 62.600 61.082 1.518 1
1 134 . 13 1 1 A 15 15 VAL CB C 49 35.100 33.236 1.864 1
1 136 . 13 1 1 A 15 15 VAL N N 49 123.837 127.555 -3.718 1
1 137 . 13 1 1 A 16 16 GLU H H 50 8.296 8.769 -0.473 1
1 138 . 13 1 1 A 16 16 GLU HA H 50 3.702 4.624 -0.922 1
1 142 . 13 1 1 A 16 16 GLU C C 50 175.947 175.159 0.788 1
1 143 . 13 1 1 A 16 16 GLU CA C 50 55.400 54.742 0.658 1
1 144 . 13 1 1 A 16 16 GLU CB C 50 30.100 32.410 -2.310 1
1 145 . 13 1 1 A 16 16 GLU N N 50 124.989 123.780 1.209 1
1 146 . 13 1 1 A 17 17 GLN H H 51 8.529 8.901 -0.372 1
1 147 . 13 1 1 A 17 17 GLN HA H 51 4.415 4.438 -0.023 1
1 151 . 13 1 1 A 17 17 GLN C C 51 175.122 175.677 -0.555 1
1 152 . 13 1 1 A 17 17 GLN CA C 51 54.060 55.659 -1.599 1
1 153 . 13 1 1 A 17 17 GLN CB C 51 29.943 29.371 0.572 1
1 155 . 13 1 1 A 17 17 GLN N N 51 124.656 117.229 7.427 1
1 156 . 13 1 1 A 18 18 SER HA H 52 4.420 4.471 -0.051 1
1 157 . 13 1 1 A 18 18 SER C C 52 173.505 173.414 0.091 1
1 158 . 13 1 1 A 18 18 SER CA C 52 58.279 59.273 -0.994 1
1 159 . 13 1 1 A 18 18 SER CB C 52 63.835 63.164 0.671 1
1 160 . 13 1 1 A 19 19 ASN H H 53 8.109 8.630 -0.521 1
1 161 . 13 1 1 A 19 19 ASN HA H 53 4.399 4.351 0.048 1
1 164 . 13 1 1 A 19 19 ASN C C 53 179.837 175.305 4.532 1
1 165 . 13 1 1 A 19 19 ASN CA C 53 54.664 55.027 -0.363 1
1 166 . 13 1 1 A 19 19 ASN CB C 53 39.983 36.917 3.066 1
1 167 . 13 1 1 A 19 19 ASN N N 53 126.199 116.622 9.577 1
1 168 . 13 1 1 A 20 20 GLY H H 54 8.166 8.531 -0.365 1
1 169 . 13 1 1 A 20 20 GLY HA2 H 54 3.911 4.045 -0.134 1
1 170 . 13 1 1 A 20 20 GLY C C 54 174.876 175.135 -0.259 1
1 171 . 13 1 1 A 20 20 GLY CA C 54 45.206 46.096 -0.890 1
1 172 . 13 1 1 A 20 20 GLY N N 54 113.067 108.935 4.132 1
1 173 . 13 1 1 A 22 22 GLY CA C 56 45.279 45.478 -0.199 1
1 174 . 13 1 1 A 23 23 GLY H H 57 8.235 8.810 -0.575 1
1 175 . 13 1 1 A 23 23 GLY HA2 H 57 3.929 3.996 -0.067 1
1 176 . 13 1 1 A 23 23 GLY C C 57 173.796 174.067 -0.271 1
1 177 . 13 1 1 A 23 23 GLY CA C 57 45.348 47.160 -1.812 1
1 178 . 13 1 1 A 23 23 GLY N N 57 108.389 112.387 -3.998 1
1 179 . 13 1 1 A 24 24 LYS HA H 58 4.804 4.327 0.477 1
1 180 . 13 1 1 A 24 24 LYS C C 58 175.908 175.622 0.286 1
1 181 . 13 1 1 A 24 24 LYS CA C 58 54.833 57.902 -3.069 1
1 182 . 13 1 1 A 24 24 LYS CB C 58 34.402 33.644 0.758 1
1 183 . 13 1 1 A 25 25 THR H H 59 8.413 7.365 1.048 1
1 184 . 13 1 1 A 25 25 THR HA H 59 4.482 4.609 -0.127 1
1 187 . 13 1 1 A 25 25 THR C C 59 171.934 171.615 0.319 1
1 188 . 13 1 1 A 25 25 THR CA C 59 60.144 60.558 -0.414 1
1 189 . 13 1 1 A 25 25 THR CB C 59 71.035 71.202 -0.167 1
1 191 . 13 1 1 A 25 25 THR N N 59 115.947 112.101 3.846 1
1 192 . 13 1 1 A 26 26 TYR H H 60 8.182 9.000 -0.818 1
1 193 . 13 1 1 A 26 26 TYR HA H 60 4.883 5.041 -0.158 1
1 198 . 13 1 1 A 26 26 TYR C C 60 173.593 174.423 -0.830 1
1 199 . 13 1 1 A 26 26 TYR CA C 60 54.043 56.090 -2.047 1
1 200 . 13 1 1 A 26 26 TYR CB C 60 40.100 43.279 -3.179 1
1 202 . 13 1 1 A 26 26 TYR N N 60 121.985 124.877 -2.892 1
1 203 . 13 1 1 A 27 27 LYS H H 61 8.385 8.469 -0.084 1
1 204 . 13 1 1 A 27 27 LYS HA H 61 4.563 4.911 -0.348 1
1 205 . 13 1 1 A 27 27 LYS C C 61 174.186 174.602 -0.416 1
1 206 . 13 1 1 A 27 27 LYS CA C 61 54.589 55.502 -0.913 1
1 207 . 13 1 1 A 27 27 LYS CB C 61 35.801 36.182 -0.381 1
1 208 . 13 1 1 A 27 27 LYS N N 61 120.203 120.918 -0.715 1
1 209 . 13 1 1 A 28 28 TRP H H 62 8.524 8.969 -0.445 1
1 210 . 13 1 1 A 28 28 TRP HA H 62 5.361 5.470 -0.109 1
1 215 . 13 1 1 A 28 28 TRP C C 62 176.934 176.479 0.455 1
1 216 . 13 1 1 A 28 28 TRP CA C 62 56.499 56.216 0.283 1
1 217 . 13 1 1 A 28 28 TRP CB C 62 29.300 30.897 -1.597 1
1 218 . 13 1 1 A 28 28 TRP N N 62 122.913 126.786 -3.873 1
1 220 . 13 1 1 A 29 29 VAL H H 63 9.470 8.776 0.694 1
1 221 . 13 1 1 A 29 29 VAL HA H 63 4.626 5.067 -0.441 1
1 229 . 13 1 1 A 29 29 VAL C C 63 175.264 174.508 0.756 1
1 230 . 13 1 1 A 29 29 VAL CA C 63 59.163 59.157 0.006 1
1 231 . 13 1 1 A 29 29 VAL CB C 63 34.759 36.102 -1.343 1
1 234 . 13 1 1 A 29 29 VAL N N 63 120.454 117.679 2.775 1
1 235 . 13 1 1 A 30 30 ASP H H 64 8.576 8.773 -0.197 1
1 236 . 13 1 1 A 30 30 ASP HA H 64 4.386 4.950 -0.564 1
1 237 . 13 1 1 A 30 30 ASP C C 64 174.186 176.383 -2.197 1
1 238 . 13 1 1 A 30 30 ASP CA C 64 55.907 53.386 2.521 1
1 239 . 13 1 1 A 30 30 ASP CB C 64 39.942 42.741 -2.799 1
1 240 . 13 1 1 A 30 30 ASP N N 64 123.588 121.133 2.455 1
1 241 . 13 1 1 A 31 31 GLU H H 65 9.482 9.411 0.071 1
1 242 . 13 1 1 A 31 31 GLU HA H 65 4.674 4.425 0.249 1
1 246 . 13 1 1 A 31 31 GLU C C 65 176.000 176.446 -0.446 1
1 247 . 13 1 1 A 31 31 GLU CA C 65 57.263 58.232 -0.969 1
1 248 . 13 1 1 A 31 31 GLU CB C 65 30.200 31.243 -1.043 1
1 250 . 13 1 1 A 31 31 GLU N N 65 124.008 123.905 0.103 1
1 251 . 13 1 1 A 32 32 PHE H H 66 7.257 7.453 -0.196 1
1 252 . 13 1 1 A 32 32 PHE HA H 66 4.940 5.182 -0.242 1
1 254 . 13 1 1 A 32 32 PHE C C 66 172.742 173.273 -0.531 1
1 255 . 13 1 1 A 32 32 PHE CA C 66 56.316 56.585 -0.269 1
1 256 . 13 1 1 A 32 32 PHE CB C 66 38.948 40.763 -1.815 1
1 257 . 13 1 1 A 32 32 PHE N N 66 110.866 112.806 -1.940 1
1 258 . 13 1 1 A 33 33 THR H H 67 8.603 8.840 -0.237 1
1 259 . 13 1 1 A 33 33 THR HA H 67 5.377 5.106 0.271 1
1 262 . 13 1 1 A 33 33 THR C C 67 173.388 173.468 -0.080 1
1 263 . 13 1 1 A 33 33 THR CA C 67 60.207 60.343 -0.136 1
1 264 . 13 1 1 A 33 33 THR CB C 67 71.620 71.079 0.541 1
1 266 . 13 1 1 A 33 33 THR N N 67 114.847 112.247 2.600 1
1 267 . 13 1 1 A 34 34 ALA H H 68 9.185 8.329 0.856 1
1 268 . 13 1 1 A 34 34 ALA HA H 68 4.873 4.863 0.010 1
1 272 . 13 1 1 A 34 34 ALA C C 68 174.999 175.846 -0.847 1
1 273 . 13 1 1 A 34 34 ALA CA C 68 50.660 51.440 -0.780 1
1 274 . 13 1 1 A 34 34 ALA CB C 68 23.911 23.702 0.209 1
1 275 . 13 1 1 A 34 34 ALA N N 68 125.817 123.731 2.086 1
1 276 . 13 1 1 A 35 35 ALA H H 69 8.347 8.534 -0.187 1
1 277 . 13 1 1 A 35 35 ALA HA H 69 4.889 5.030 -0.141 1
1 281 . 13 1 1 A 35 35 ALA C C 69 176.937 176.814 0.123 1
1 282 . 13 1 1 A 35 35 ALA CA C 69 51.329 51.460 -0.131 1
1 283 . 13 1 1 A 35 35 ALA CB C 69 19.210 20.040 -0.830 1
1 284 . 13 1 1 A 35 35 ALA N N 69 122.342 122.436 -0.094 1
1 285 . 13 1 1 A 36 36 ALA H H 70 8.468 8.779 -0.311 1
1 286 . 13 1 1 A 36 36 ALA HA H 70 4.996 4.951 0.045 1
1 290 . 13 1 1 A 36 36 ALA C C 70 175.102 175.278 -0.176 1
1 291 . 13 1 1 A 36 36 ALA CA C 70 50.876 52.032 -1.156 1
1 292 . 13 1 1 A 36 36 ALA CB C 70 23.556 23.569 -0.013 1
1 293 . 13 1 1 A 36 36 ALA N N 70 120.267 125.443 -5.176 1
1 294 . 13 1 1 A 37 37 HIS H H 71 9.136 8.624 0.512 1
1 295 . 13 1 1 A 37 37 HIS HA H 71 5.343 5.310 0.033 1
1 298 . 13 1 1 A 37 37 HIS C C 71 174.002 173.283 0.719 1
1 299 . 13 1 1 A 37 37 HIS CA C 71 54.803 53.649 1.154 1
1 300 . 13 1 1 A 37 37 HIS CB C 71 32.322 32.307 0.015 1
1 301 . 13 1 1 A 37 37 HIS N N 71 119.360 122.678 -3.318 1
1 302 . 13 1 1 A 38 38 VAL H H 72 8.557 8.225 0.332 1
1 303 . 13 1 1 A 38 38 VAL HA H 72 4.174 4.258 -0.084 1
1 311 . 13 1 1 A 38 38 VAL C C 72 174.000 174.376 -0.376 1
1 312 . 13 1 1 A 38 38 VAL CA C 72 61.587 60.914 0.673 1
1 313 . 13 1 1 A 38 38 VAL CB C 72 31.381 32.297 -0.916 1
1 316 . 13 1 1 A 38 38 VAL N N 72 127.947 127.281 0.666 1
1 317 . 13 1 1 A 39 39 GLN H H 73 8.971 8.598 0.373 1
1 318 . 13 1 1 A 39 39 GLN HA H 73 5.019 4.853 0.166 1
1 321 . 13 1 1 A 39 39 GLN C C 73 173.260 173.063 0.197 1
1 322 . 13 1 1 A 39 39 GLN CA C 73 51.310 52.610 -1.300 1
1 323 . 13 1 1 A 39 39 GLN CB C 73 30.955 31.174 -0.219 1
1 324 . 13 1 1 A 39 39 GLN N N 73 127.985 124.203 3.782 1
1 325 . 13 1 1 A 40 40 PRO HA H 74 4.707 3.931 0.776 1
1 329 . 13 1 1 A 40 40 PRO C C 74 3.820 176.985 -173.165 1
1 330 . 13 1 1 A 40 40 PRO CA C 74 176.828 62.213 114.615 1
1 331 . 13 1 1 A 40 40 PRO CB C 74 62.215 32.075 30.140 1
1 333 . 13 1 1 A 40 40 PRO N N 74 50.800 134.833 -84.033 1
1 334 . 13 1 1 A 41 41 ILE H H 75 8.105 8.347 -0.242 1
1 335 . 13 1 1 A 41 41 ILE HA H 75 4.074 4.206 -0.132 1
1 338 . 13 1 1 A 41 41 ILE C C 75 175.881 175.400 0.481 1
1 339 . 13 1 1 A 41 41 ILE CA C 75 61.399 61.549 -0.150 1
1 340 . 13 1 1 A 41 41 ILE CB C 75 38.214 38.805 -0.591 1
1 342 . 13 1 1 A 41 41 ILE N N 75 122.818 121.163 1.655 1
1 343 . 13 1 1 A 43 43 GLN HA H 77 4.267 4.615 -0.348 1
1 344 . 13 1 1 A 43 43 GLN C C 77 176.255 176.984 -0.729 1
1 345 . 13 1 1 A 43 43 GLN CA C 77 56.500 54.970 1.530 1
1 346 . 13 1 1 A 43 43 GLN CB C 77 29.100 28.593 0.507 1
1 347 . 13 1 1 A 44 44 GLU H H 78 8.458 7.973 0.485 1
1 348 . 13 1 1 A 44 44 GLU HA H 78 4.184 4.169 0.015 1
1 351 . 13 1 1 A 44 44 GLU C C 78 177.000 176.435 0.565 1
1 352 . 13 1 1 A 44 44 GLU CA C 78 57.400 58.995 -1.595 1
1 353 . 13 1 1 A 44 44 GLU CB C 78 29.148 29.106 0.042 1
1 355 . 13 1 1 A 44 44 GLU N N 78 120.627 120.911 -0.284 1
1 356 . 13 1 1 A 45 45 GLU H H 79 8.283 7.758 0.525 1
1 357 . 13 1 1 A 45 45 GLU HA H 79 4.121 4.324 -0.203 1
1 360 . 13 1 1 A 45 45 GLU C C 79 176.972 176.908 0.064 1
1 361 . 13 1 1 A 45 45 GLU CA C 79 57.106 55.203 1.903 1
1 362 . 13 1 1 A 45 45 GLU CB C 79 29.680 29.613 0.067 1
1 364 . 13 1 1 A 45 45 GLU N N 79 119.997 121.065 -1.068 1
1 365 . 13 1 1 A 46 46 TYR H H 80 7.961 7.380 0.581 1
1 366 . 13 1 1 A 46 46 TYR HA H 80 4.369 4.642 -0.273 1
1 369 . 13 1 1 A 46 46 TYR C C 80 176.086 174.743 1.343 1
1 370 . 13 1 1 A 46 46 TYR CA C 80 58.284 57.815 0.469 1
1 371 . 13 1 1 A 46 46 TYR CB C 80 38.214 39.103 -0.889 1
1 372 . 13 1 1 A 46 46 TYR N N 80 119.582 124.313 -4.731 1
1 373 . 13 1 1 A 47 47 TYR H H 81 7.918 7.572 0.346 1
1 374 . 13 1 1 A 47 47 TYR HA H 81 4.399 4.794 -0.395 1
1 378 . 13 1 1 A 47 47 TYR C C 81 176.566 174.930 1.636 1
1 379 . 13 1 1 A 47 47 TYR CA C 81 58.479 56.968 1.511 1
1 380 . 13 1 1 A 47 47 TYR CB C 81 38.042 39.418 -1.376 1
1 381 . 13 1 1 A 47 47 TYR N N 81 119.336 121.786 -2.450 1
1 382 . 13 1 1 A 48 48 LYS HA H 82 4.090 4.194 -0.104 1
1 383 . 13 1 1 A 48 48 LYS C C 82 176.894 176.818 0.076 1
1 384 . 13 1 1 A 48 48 LYS CA C 82 56.786 56.843 -0.057 1
1 385 . 13 1 1 A 48 48 LYS CB C 82 32.306 30.721 1.585 1
1 386 . 13 1 1 A 49 49 ALA H H 83 7.999 8.272 -0.273 1
1 387 . 13 1 1 A 49 49 ALA HA H 83 4.178 4.104 0.074 1
1 391 . 13 1 1 A 49 49 ALA C C 83 178.193 177.336 0.857 1
1 392 . 13 1 1 A 49 49 ALA CA C 83 52.825 54.713 -1.888 1
1 393 . 13 1 1 A 49 49 ALA CB C 83 18.200 19.418 -1.218 1
1 394 . 13 1 1 A 49 49 ALA N N 83 122.394 126.478 -4.084 1
1 395 . 13 1 1 A 50 50 GLN H H 84 8.006 7.806 0.200 1
1 396 . 13 1 1 A 50 50 GLN HA H 84 4.167 4.766 -0.599 1
1 400 . 13 1 1 A 50 50 GLN C C 84 176.200 173.777 2.423 1
1 401 . 13 1 1 A 50 50 GLN CA C 84 56.016 55.015 1.001 1
1 402 . 13 1 1 A 50 50 GLN CB C 84 28.467 31.365 -2.898 1
1 404 . 13 1 1 A 50 50 GLN N N 84 116.623 114.730 1.893 1
1 405 . 13 1 1 A 51 51 GLN H H 85 8.085 8.743 -0.658 1
1 406 . 13 1 1 A 51 51 GLN HA H 85 4.223 4.646 -0.423 1
1 410 . 13 1 1 A 51 51 GLN CA C 85 56.393 54.617 1.776 1
1 411 . 13 1 1 A 51 51 GLN CB C 85 28.600 32.702 -4.102 1
1 413 . 13 1 1 A 51 51 GLN N N 85 118.681 124.141 -5.460 1
1 414 . 13 1 1 A 53 53 GLN HA H 87 4.268 4.642 -0.374 1
1 415 . 13 1 1 A 53 53 GLN C C 87 175.517 174.667 0.850 1
1 416 . 13 1 1 A 53 53 GLN CA C 87 55.821 57.158 -1.337 1
1 417 . 13 1 1 A 53 53 GLN CB C 87 28.296 32.023 -3.727 1
1 418 . 13 1 1 A 54 54 THR H H 88 7.950 8.075 -0.125 1
1 419 . 13 1 1 A 54 54 THR HA H 88 4.540 4.693 -0.153 1
1 422 . 13 1 1 A 54 54 THR C C 88 172.445 172.416 0.029 1
1 423 . 13 1 1 A 54 54 THR CA C 88 59.184 59.114 0.070 1
1 424 . 13 1 1 A 54 54 THR CB C 88 69.534 71.361 -1.827 1
1 426 . 13 1 1 A 54 54 THR N N 88 116.337 112.056 4.281 1
1 427 . 13 1 1 A 55 55 PRO HA H 89 4.410 4.834 -0.424 1
1 431 . 13 1 1 A 55 55 PRO C C 89 3.600 177.152 -173.552 1
1 432 . 13 1 1 A 55 55 PRO CA C 89 176.508 62.274 114.234 1
1 433 . 13 1 1 A 55 55 PRO CB C 89 62.325 32.632 29.693 1
1 436 . 13 1 1 A 55 55 PRO N N 89 50.400 141.575 -91.175 1
1 437 . 13 1 1 A 56 56 ILE H H 90 8.247 8.991 -0.744 1
1 438 . 13 1 1 A 56 56 ILE HA H 90 3.993 4.108 -0.115 1
1 443 . 13 1 1 A 56 56 ILE C C 90 175.132 176.422 -1.290 1
1 444 . 13 1 1 A 56 56 ILE CA C 90 60.718 62.706 -1.988 1
1 445 . 13 1 1 A 56 56 ILE CB C 90 38.277 38.167 0.110 1
1 447 . 13 1 1 A 56 56 ILE N N 90 121.921 119.864 2.057 1
1 448 . 13 1 1 A 57 57 GLY H H 91 7.820 7.491 0.329 1
1 449 . 13 1 1 A 57 57 GLY HA2 H 91 4.550 4.136 0.414 1
1 450 . 13 1 1 A 57 57 GLY HA3 H 91 3.640 4.208 -0.568 1
1 451 . 13 1 1 A 57 57 GLY C C 91 172.184 171.304 0.880 1
1 452 . 13 1 1 A 57 57 GLY CA C 91 43.575 45.634 -2.059 1
1 453 . 13 1 1 A 57 57 GLY N N 91 110.987 106.429 4.558 1
1 454 . 13 1 1 A 58 58 TYR H H 92 8.593 8.686 -0.093 1
1 455 . 13 1 1 A 58 58 TYR HA H 92 5.166 5.264 -0.098 1
1 460 . 13 1 1 A 58 58 TYR C C 92 175.122 174.491 0.631 1
1 461 . 13 1 1 A 58 58 TYR CA C 92 56.544 56.580 -0.036 1
1 462 . 13 1 1 A 58 58 TYR CB C 92 43.819 41.489 2.330 1
1 465 . 13 1 1 A 58 58 TYR N N 92 116.307 121.586 -5.279 1
1 466 . 13 1 1 A 59 59 ASN H H 93 8.964 9.368 -0.404 1
1 467 . 13 1 1 A 59 59 ASN HA H 93 5.116 5.597 -0.481 1
1 470 . 13 1 1 A 59 59 ASN C C 93 173.457 174.424 -0.967 1
1 471 . 13 1 1 A 59 59 ASN CA C 93 52.717 51.273 1.444 1
1 472 . 13 1 1 A 59 59 ASN CB C 93 40.420 40.788 -0.368 1
1 473 . 13 1 1 A 59 59 ASN N N 93 119.232 119.699 -0.467 1
1 474 . 13 1 1 A 60 60 ILE H H 94 9.013 8.867 0.146 1
1 475 . 13 1 1 A 60 60 ILE HA H 94 4.383 5.105 -0.722 1
1 476 . 13 1 1 A 60 60 ILE C C 94 173.370 174.690 -1.320 1
1 477 . 13 1 1 A 60 60 ILE CA C 94 60.231 59.248 0.983 1
1 478 . 13 1 1 A 60 60 ILE CB C 94 38.728 40.600 -1.872 1
1 479 . 13 1 1 A 60 60 ILE N N 94 123.021 120.032 2.989 1
1 480 . 13 1 1 A 61 61 TYR H H 95 8.867 8.469 0.398 1
1 481 . 13 1 1 A 61 61 TYR HA H 95 5.279 5.612 -0.333 1
1 486 . 13 1 1 A 61 61 TYR C C 95 174.262 174.369 -0.107 1
1 487 . 13 1 1 A 61 61 TYR CA C 95 55.732 55.893 -0.161 1
1 488 . 13 1 1 A 61 61 TYR CB C 95 39.723 41.050 -1.327 1
1 491 . 13 1 1 A 61 61 TYR N N 95 125.343 121.719 3.624 1
1 492 . 13 1 1 A 62 62 THR H H 96 8.998 8.521 0.477 1
1 493 . 13 1 1 A 62 62 THR HA H 96 4.889 4.709 0.180 1
1 496 . 13 1 1 A 62 62 THR C C 96 172.708 171.957 0.751 1
1 497 . 13 1 1 A 62 62 THR CA C 96 58.248 59.180 -0.932 1
1 498 . 13 1 1 A 62 62 THR CB C 96 73.097 71.790 1.307 1
1 500 . 13 1 1 A 62 62 THR N N 96 119.223 119.436 -0.213 1
1 501 . 13 1 1 A 63 63 PRO HA H 97 4.410 4.724 -0.314 1
1 503 . 13 1 1 A 63 63 PRO C C 97 3.190 177.307 -174.117 1
1 504 . 13 1 1 A 63 63 PRO CA C 97 175.250 63.393 111.857 1
1 505 . 13 1 1 A 63 63 PRO CB C 97 63.642 31.703 31.939 1
1 507 . 13 1 1 A 63 63 PRO N N 97 51.700 138.687 -86.987 1
1 508 . 13 1 1 A 64 64 TYR H H 98 7.826 9.193 -1.367 1
1 509 . 13 1 1 A 64 64 TYR HA H 98 4.265 4.135 0.130 1
1 514 . 13 1 1 A 64 64 TYR C C 98 175.150 174.035 1.115 1
1 515 . 13 1 1 A 64 64 TYR CA C 98 59.434 59.297 0.137 1
1 516 . 13 1 1 A 64 64 TYR CB C 98 37.240 36.950 0.290 1
1 518 . 13 1 1 A 64 64 TYR N N 98 122.118 123.075 -0.957 1
1 519 . 13 1 1 A 65 65 ASP H H 99 5.931 7.971 -2.040 1
1 520 . 13 1 1 A 65 65 ASP HA H 99 4.255 4.804 -0.549 1
1 523 . 13 1 1 A 65 65 ASP C C 99 176.079 175.660 0.419 1
1 524 . 13 1 1 A 65 65 ASP CA C 99 52.885 53.809 -0.924 1
1 525 . 13 1 1 A 65 65 ASP CB C 99 43.486 42.443 1.043 1
1 526 . 13 1 1 A 65 65 ASP N N 99 125.409 119.831 5.578 1
1 527 . 13 1 1 A 66 66 ASP H H 100 8.703 8.268 0.435 1
1 528 . 13 1 1 A 66 66 ASP HA H 100 4.058 4.814 -0.756 1
1 531 . 13 1 1 A 66 66 ASP C C 100 176.300 176.442 -0.142 1
1 532 . 13 1 1 A 66 66 ASP CA C 100 55.332 52.639 2.693 1
1 533 . 13 1 1 A 66 66 ASP CB C 100 40.206 40.410 -0.204 1
1 534 . 13 1 1 A 66 66 ASP N N 100 128.295 118.725 9.570 1
1 535 . 13 1 1 A 67 67 ARG H H 101 8.832 7.510 1.322 1
1 536 . 13 1 1 A 67 67 ARG HA H 101 3.944 4.243 -0.299 1
1 538 . 13 1 1 A 67 67 ARG C C 101 177.624 177.138 0.486 1
1 539 . 13 1 1 A 67 67 ARG CA C 101 56.509 55.659 0.850 1
1 540 . 13 1 1 A 67 67 ARG CB C 101 31.162 30.239 0.923 1
1 541 . 13 1 1 A 67 67 ARG N N 101 117.507 119.345 -1.838 1
1 542 . 13 1 1 A 68 68 ILE H H 102 7.004 7.440 -0.436 1
1 543 . 13 1 1 A 68 68 ILE HA H 102 3.507 3.335 0.172 1
1 548 . 13 1 1 A 68 68 ILE C C 102 174.835 175.865 -1.030 1
1 549 . 13 1 1 A 68 68 ILE CA C 102 63.638 64.738 -1.100 1
1 550 . 13 1 1 A 68 68 ILE CB C 102 36.617 37.988 -1.371 1
1 552 . 13 1 1 A 68 68 ILE N N 102 116.003 118.264 -2.261 1
1 553 . 13 1 1 A 69 69 ASP H H 103 8.026 7.750 0.276 1
1 554 . 13 1 1 A 69 69 ASP HA H 103 4.954 5.071 -0.117 1
1 557 . 13 1 1 A 69 69 ASP C C 103 175.574 175.560 0.014 1
1 558 . 13 1 1 A 69 69 ASP CA C 103 52.485 52.629 -0.144 1
1 559 . 13 1 1 A 69 69 ASP CB C 103 45.984 44.917 1.067 1
1 560 . 13 1 1 A 69 69 ASP N N 103 129.672 118.568 11.104 1
1 561 . 13 1 1 A 70 70 LYS H H 104 8.505 8.519 -0.014 1
1 562 . 13 1 1 A 70 70 LYS C C 104 175.300 175.454 -0.154 1
1 563 . 13 1 1 A 70 70 LYS CA C 104 58.027 57.140 0.887 1
1 564 . 13 1 1 A 70 70 LYS CB C 104 31.376 31.860 -0.484 1
1 565 . 13 1 1 A 70 70 LYS N N 104 119.646 120.955 -1.309 1
1 566 . 13 1 1 A 71 71 LYS H H 105 8.653 8.664 -0.011 1
1 567 . 13 1 1 A 71 71 LYS HA H 105 4.513 3.463 1.050 1
1 571 . 13 1 1 A 71 71 LYS C C 105 178.190 174.575 3.615 1
1 572 . 13 1 1 A 71 71 LYS CA C 105 56.415 56.998 -0.583 1
1 573 . 13 1 1 A 71 71 LYS CB C 105 30.942 30.809 0.133 1
1 575 . 13 1 1 A 71 71 LYS N N 105 118.554 118.208 0.346 1
1 576 . 13 1 1 A 72 72 MET H H 106 7.596 6.690 0.906 1
1 577 . 13 1 1 A 72 72 MET HA H 106 5.019 4.718 0.301 1
1 578 . 13 1 1 A 72 72 MET C C 106 172.309 173.553 -1.244 1
1 579 . 13 1 1 A 72 72 MET CA C 106 56.500 53.619 2.881 1
1 580 . 13 1 1 A 72 72 MET CB C 106 34.892 35.294 -0.402 1
1 581 . 13 1 1 A 72 72 MET N N 106 119.949 113.602 6.347 1
1 582 . 13 1 1 A 73 73 ARG H H 107 8.266 8.441 -0.175 1
1 583 . 13 1 1 A 73 73 ARG HA H 107 4.075 5.198 -1.123 1
1 585 . 13 1 1 A 73 73 ARG C C 107 172.995 175.504 -2.509 1
1 586 . 13 1 1 A 73 73 ARG CA C 107 53.348 54.991 -1.643 1
1 587 . 13 1 1 A 73 73 ARG CB C 107 31.579 31.989 -0.410 1
1 588 . 13 1 1 A 73 73 ARG N N 107 112.423 119.256 -6.833 1
1 589 . 13 1 1 A 74 74 VAL H H 108 8.371 8.873 -0.502 1
1 590 . 13 1 1 A 74 74 VAL HA H 108 4.954 4.832 0.122 1
1 598 . 13 1 1 A 74 74 VAL C C 108 173.137 174.568 -1.431 1
1 599 . 13 1 1 A 74 74 VAL CA C 108 58.400 61.346 -2.946 1
1 600 . 13 1 1 A 74 74 VAL CB C 108 35.700 33.864 1.836 1
1 603 . 13 1 1 A 74 74 VAL N N 108 117.751 124.002 -6.251 1
1 604 . 13 1 1 A 75 75 ILE H H 109 8.644 8.645 -0.001 1
1 605 . 13 1 1 A 75 75 ILE HA H 109 4.772 4.469 0.303 1
1 610 . 13 1 1 A 75 75 ILE C C 109 176.377 174.167 2.210 1
1 611 . 13 1 1 A 75 75 ILE CA C 109 57.500 60.117 -2.617 1
1 612 . 13 1 1 A 75 75 ILE CB C 109 35.550 38.966 -3.416 1
1 614 . 13 1 1 A 75 75 ILE N N 109 122.741 128.197 -5.456 1
1 615 . 13 1 1 A 76 76 TYR H H 110 8.928 8.618 0.310 1
1 616 . 13 1 1 A 76 76 TYR HA H 110 4.873 4.720 0.153 1
1 621 . 13 1 1 A 76 76 TYR C C 110 173.400 175.779 -2.379 1
1 622 . 13 1 1 A 76 76 TYR CA C 110 54.699 57.180 -2.481 1
1 623 . 13 1 1 A 76 76 TYR CB C 110 40.392 37.391 3.001 1
1 626 . 13 1 1 A 76 76 TYR N N 110 129.091 128.533 0.558 1
1 627 . 13 1 1 A 77 77 ARG H H 111 9.206 9.224 -0.018 1
1 628 . 13 1 1 A 77 77 ARG HA H 111 3.537 3.883 -0.346 1
1 633 . 13 1 1 A 77 77 ARG C C 111 176.065 176.250 -0.185 1
1 634 . 13 1 1 A 77 77 ARG CA C 111 56.490 56.952 -0.462 1
1 635 . 13 1 1 A 77 77 ARG CB C 111 27.448 27.944 -0.496 1
1 636 . 13 1 1 A 77 77 ARG N N 111 126.774 126.492 0.282 1
1 637 . 13 1 1 A 78 78 GLY H H 112 8.155 8.322 -0.167 1
1 638 . 13 1 1 A 78 78 GLY HA2 H 112 4.040 3.796 0.244 1
1 639 . 13 1 1 A 78 78 GLY HA3 H 112 3.540 3.817 -0.277 1
1 640 . 13 1 1 A 78 78 GLY C C 112 173.810 173.419 0.391 1
1 641 . 13 1 1 A 78 78 GLY CA C 112 45.284 45.283 0.001 1
1 642 . 13 1 1 A 78 78 GLY N N 112 102.172 104.887 -2.715 1
1 643 . 13 1 1 A 79 79 LYS HA H 113 3.910 4.562 -0.652 1
1 644 . 13 1 1 A 79 79 LYS C C 113 174.750 175.797 -1.047 1
1 645 . 13 1 1 A 79 79 LYS CA C 113 53.808 55.018 -1.210 1
1 646 . 13 1 1 A 79 79 LYS CB C 113 33.298 33.764 -0.466 1
1 647 . 13 1 1 A 80 80 ILE H H 114 8.484 8.481 0.003 1
1 648 . 13 1 1 A 80 80 ILE HA H 114 3.860 4.354 -0.494 1
1 653 . 13 1 1 A 80 80 ILE C C 114 174.732 175.532 -0.800 1
1 654 . 13 1 1 A 80 80 ILE CA C 114 61.130 60.692 0.438 1
1 655 . 13 1 1 A 80 80 ILE CB C 114 37.740 37.398 0.342 1
1 657 . 13 1 1 A 80 80 ILE N N 114 121.186 127.630 -6.444 1
1 658 . 13 1 1 A 81 81 VAL H H 115 9.395 8.698 0.697 1
1 659 . 13 1 1 A 81 81 VAL HA H 115 4.645 4.797 -0.152 1
1 664 . 13 1 1 A 81 81 VAL C C 115 174.934 174.726 0.208 1
1 665 . 13 1 1 A 81 81 VAL CA C 115 60.401 60.531 -0.130 1
1 666 . 13 1 1 A 81 81 VAL CB C 115 32.142 33.761 -1.619 1
1 668 . 13 1 1 A 81 81 VAL N N 115 129.212 129.195 0.017 1
1 669 . 13 1 1 A 82 82 THR H H 116 8.661 8.896 -0.235 1
1 670 . 13 1 1 A 82 82 THR HA H 116 4.483 4.853 -0.370 1
1 673 . 13 1 1 A 82 82 THR C C 116 175.000 174.684 0.316 1
1 674 . 13 1 1 A 82 82 THR CA C 116 59.911 61.203 -1.292 1
1 675 . 13 1 1 A 82 82 THR CB C 116 69.844 69.969 -0.125 1
1 677 . 13 1 1 A 82 82 THR N N 116 120.129 121.243 -1.114 1
1 678 . 13 1 1 A 83 83 PHE H H 117 9.153 8.779 0.374 1
1 679 . 13 1 1 A 83 83 PHE HA H 117 5.003 4.468 0.535 1
1 681 . 13 1 1 A 83 83 PHE C C 117 177.126 175.050 2.076 1
1 682 . 13 1 1 A 83 83 PHE CA C 117 55.003 61.993 -6.990 1
1 683 . 13 1 1 A 83 83 PHE CB C 117 37.018 37.472 -0.454 1
1 684 . 13 1 1 A 83 83 PHE N N 117 123.251 121.885 1.366 1
1 685 . 13 1 1 A 84 84 ILE H H 118 8.882 7.957 0.925 1
1 686 . 13 1 1 A 84 84 ILE HA H 118 4.320 4.343 -0.023 1
1 695 . 13 1 1 A 84 84 ILE C C 118 175.958 176.297 -0.339 1
1 696 . 13 1 1 A 84 84 ILE CA C 118 60.275 60.581 -0.306 1
1 697 . 13 1 1 A 84 84 ILE CB C 118 37.057 39.458 -2.401 1
1 700 . 13 1 1 A 84 84 ILE N N 118 122.450 116.751 5.699 1
1 701 . 13 1 1 A 85 85 GLY H H 119 8.198 8.303 -0.105 1
1 702 . 13 1 1 A 85 85 GLY HA2 H 119 4.050 4.157 -0.107 1
1 703 . 13 1 1 A 85 85 GLY HA3 H 119 3.900 4.164 -0.264 1
1 704 . 13 1 1 A 85 85 GLY C C 119 172.376 171.425 0.951 1
1 705 . 13 1 1 A 85 85 GLY CA C 119 44.033 45.904 -1.871 1
1 706 . 13 1 1 A 85 85 GLY N N 119 112.995 109.938 3.057 1
1 707 . 13 1 1 A 86 86 ASP H H 120 8.132 8.818 -0.686 1
1 708 . 13 1 1 A 86 86 ASP HA H 120 4.938 5.199 -0.261 1
1 711 . 13 1 1 A 86 86 ASP C C 120 175.418 174.118 1.300 1
1 712 . 13 1 1 A 86 86 ASP CA C 120 52.656 50.663 1.993 1
1 713 . 13 1 1 A 86 86 ASP CB C 120 40.163 42.992 -2.829 1
1 714 . 13 1 1 A 86 86 ASP N N 120 119.130 121.308 -2.178 1
1 715 . 13 1 1 A 87 87 PRO HA H 121 4.470 4.906 -0.436 1
1 719 . 13 1 1 A 87 87 PRO CA C 121 175.750 62.198 113.552 1
1 720 . 13 1 1 A 87 87 PRO CB C 121 62.414 32.443 29.971 1
1 723 . 13 1 1 A 87 87 PRO N N 121 49.700 137.397 -87.697 1
1 724 . 13 1 1 A 88 88 VAL H H 122 8.707 9.107 -0.400 1
1 725 . 13 1 1 A 88 88 VAL HA H 122 4.400 4.738 -0.338 1
1 733 . 13 1 1 A 88 88 VAL C C 122 174.250 174.070 0.180 1
1 734 . 13 1 1 A 88 88 VAL CA C 122 60.598 60.576 0.022 1
1 735 . 13 1 1 A 88 88 VAL CB C 122 34.847 35.885 -1.038 1
1 738 . 13 1 1 A 88 88 VAL N N 122 121.987 122.276 -0.289 1
1 739 . 13 1 1 A 89 89 ASP H H 123 8.437 8.668 -0.231 1
1 740 . 13 1 1 A 89 89 ASP HA H 123 5.068 5.152 -0.084 1
1 743 . 13 1 1 A 89 89 ASP C C 123 177.435 175.948 1.487 1
1 744 . 13 1 1 A 89 89 ASP CA C 123 52.751 52.711 0.040 1
1 745 . 13 1 1 A 89 89 ASP CB C 123 40.191 41.248 -1.057 1
1 746 . 13 1 1 A 89 89 ASP N N 123 125.856 125.597 0.259 1
1 747 . 13 1 1 A 90 90 LEU H H 124 8.793 8.837 -0.044 1
1 748 . 13 1 1 A 90 90 LEU HA H 124 4.047 4.446 -0.399 1
1 749 . 13 1 1 A 90 90 LEU CA C 124 56.836 57.297 -0.461 1
1 750 . 13 1 1 A 90 90 LEU CB C 124 41.301 42.424 -1.123 1
1 751 . 13 1 1 A 90 90 LEU N N 124 128.178 126.319 1.859 1
1 752 . 13 1 1 A 91 91 SER H H 125 8.927 7.875 1.052 1
1 753 . 13 1 1 A 91 91 SER HA H 125 4.287 4.804 -0.517 1
1 754 . 13 1 1 A 91 91 SER C C 125 173.984 175.050 -1.066 1
1 755 . 13 1 1 A 91 91 SER CA C 125 58.498 57.510 0.988 1
1 756 . 13 1 1 A 91 91 SER CB C 125 63.600 65.200 -1.600 1
1 757 . 13 1 1 A 91 91 SER N N 125 115.226 114.738 0.488 1
1 758 . 13 1 1 A 92 92 GLY H H 126 8.250 8.561 -0.311 1
1 759 . 13 1 1 A 92 92 GLY HA2 H 126 3.950 4.060 -0.110 1
1 760 . 13 1 1 A 92 92 GLY HA3 H 126 3.670 4.075 -0.405 1
1 761 . 13 1 1 A 92 92 GLY C C 126 174.700 173.798 0.902 1
1 762 . 13 1 1 A 92 92 GLY CA C 126 45.900 46.131 -0.231 1
1 763 . 13 1 1 A 92 92 GLY N N 126 109.395 112.765 -3.370 1
1 764 . 13 1 1 A 94 94 GLN C C 128 174.459 175.453 -0.994 1
1 765 . 13 1 1 A 94 94 GLN CA C 128 56.434 54.310 2.124 1
1 766 . 13 1 1 A 94 94 GLN CB C 128 25.491 26.484 -0.993 1
1 767 . 13 1 1 A 95 95 GLU H H 129 8.474 7.457 1.017 1
1 768 . 13 1 1 A 95 95 GLU HA H 129 4.596 4.614 -0.018 1
1 772 . 13 1 1 A 95 95 GLU C C 129 177.559 175.691 1.868 1
1 773 . 13 1 1 A 95 95 GLU CA C 129 57.183 56.498 0.685 1
1 774 . 13 1 1 A 95 95 GLU CB C 129 31.432 31.092 0.340 1
1 775 . 13 1 1 A 95 95 GLU N N 129 115.145 123.721 -8.576 1
1 776 . 13 1 1 A 96 96 ILE H H 130 9.393 8.004 1.389 1
1 777 . 13 1 1 A 96 96 ILE HA H 130 4.660 4.874 -0.214 1
1 782 . 13 1 1 A 96 96 ILE C C 130 173.821 174.161 -0.340 1
1 783 . 13 1 1 A 96 96 ILE CA C 130 59.481 60.089 -0.608 1
1 784 . 13 1 1 A 96 96 ILE CB C 130 41.386 40.063 1.323 1
1 785 . 13 1 1 A 96 96 ILE N N 130 124.603 121.694 2.909 1
1 786 . 13 1 1 A 97 97 THR H H 131 9.341 9.024 0.317 1
1 787 . 13 1 1 A 97 97 THR HA H 131 5.135 5.192 -0.057 1
1 790 . 13 1 1 A 97 97 THR C C 131 172.742 173.494 -0.752 1
1 791 . 13 1 1 A 97 97 THR CA C 131 62.458 61.170 1.288 1
1 792 . 13 1 1 A 97 97 THR CB C 131 69.995 71.236 -1.241 1
1 794 . 13 1 1 A 97 97 THR N N 131 125.280 125.013 0.267 1
1 795 . 13 1 1 A 98 98 ARG H H 132 9.286 8.902 0.384 1
1 796 . 13 1 1 A 98 98 ARG HA H 132 5.263 5.224 0.039 1
1 802 . 13 1 1 A 98 98 ARG C C 132 175.462 175.171 0.291 1
1 803 . 13 1 1 A 98 98 ARG CA C 132 53.122 54.621 -1.499 1
1 804 . 13 1 1 A 98 98 ARG CB C 132 32.555 33.832 -1.277 1
1 805 . 13 1 1 A 98 98 ARG N N 132 126.525 123.863 2.662 1
1 806 . 13 1 1 A 99 99 ILE H H 133 9.338 8.923 0.415 1
1 807 . 13 1 1 A 99 99 ILE HA H 133 3.959 5.091 -1.132 1
1 816 . 13 1 1 A 99 99 ILE C C 133 173.860 173.895 -0.035 1
1 817 . 13 1 1 A 99 99 ILE CA C 133 59.719 59.116 0.603 1
1 818 . 13 1 1 A 99 99 ILE CB C 133 41.429 40.971 0.458 1
1 821 . 13 1 1 A 99 99 ILE N N 133 129.483 119.360 10.123 1
1 822 . 13 1 1 A 100 100 LYS H H 134 8.457 9.257 -0.800 1
1 823 . 13 1 1 A 100 100 LYS HA H 134 4.990 5.351 -0.361 1
1 824 . 13 1 1 A 100 100 LYS C C 134 175.750 174.949 0.801 1
1 825 . 13 1 1 A 100 100 LYS CA C 134 54.548 54.397 0.151 1
1 826 . 13 1 1 A 100 100 LYS CB C 134 32.800 36.007 -3.207 1
1 827 . 13 1 1 A 100 100 LYS N N 134 128.506 124.832 3.674 1
1 828 . 13 1 1 A 101 101 GLY H H 135 8.968 8.226 0.742 1
1 829 . 13 1 1 A 101 101 GLY HA2 H 135 5.350 4.499 0.851 1
1 830 . 13 1 1 A 101 101 GLY HA3 H 135 3.290 4.515 -1.225 1
1 831 . 13 1 1 A 101 101 GLY C C 135 171.558 172.346 -0.788 1
1 832 . 13 1 1 A 101 101 GLY CA C 135 44.286 44.879 -0.593 1
1 833 . 13 1 1 A 101 101 GLY N N 135 110.167 111.410 -1.243 1
1 834 . 13 1 1 A 102 102 LYS H H 136 9.158 9.031 0.127 1
1 835 . 13 1 1 A 102 102 LYS C C 136 174.516 174.247 0.269 1
1 836 . 13 1 1 A 102 102 LYS CA C 136 53.781 54.443 -0.662 1
1 837 . 13 1 1 A 102 102 LYS CB C 136 34.807 36.594 -1.787 1
1 838 . 13 1 1 A 102 102 LYS N N 136 119.838 119.022 0.816 1
1 839 . 13 1 1 A 103 103 GLU H H 137 8.711 8.838 -0.127 1
1 840 . 13 1 1 A 103 103 GLU HA H 137 4.709 5.340 -0.631 1
1 841 . 13 1 1 A 103 103 GLU C C 137 176.875 174.607 2.268 1
1 842 . 13 1 1 A 103 103 GLU CA C 137 56.833 54.789 2.044 1
1 843 . 13 1 1 A 103 103 GLU CB C 137 30.640 32.807 -2.167 1
1 844 . 13 1 1 A 103 103 GLU N N 137 124.293 120.953 3.340 1
1 845 . 13 1 1 A 104 104 ASP H H 138 9.334 8.804 0.530 1
1 846 . 13 1 1 A 104 104 ASP HA H 138 4.954 5.166 -0.212 1
1 849 . 13 1 1 A 104 104 ASP C C 138 175.340 174.803 0.537 1
1 850 . 13 1 1 A 104 104 ASP CA C 138 53.107 52.961 0.146 1
1 851 . 13 1 1 A 104 104 ASP CB C 138 42.374 44.946 -2.572 1
1 852 . 13 1 1 A 104 104 ASP N N 138 127.542 127.029 0.513 1
1 853 . 13 1 1 A 105 105 GLY H H 139 7.732 8.584 -0.852 1
1 854 . 13 1 1 A 105 105 GLY HA2 H 139 4.360 3.721 0.639 1
1 855 . 13 1 1 A 105 105 GLY HA3 H 139 3.800 3.969 -0.169 1
1 856 . 13 1 1 A 105 105 GLY C C 139 172.374 173.036 -0.662 1
1 857 . 13 1 1 A 105 105 GLY CA C 139 43.800 45.484 -1.684 1
1 858 . 13 1 1 A 105 105 GLY N N 139 106.466 112.089 -5.623 1
1 859 . 13 1 1 A 106 106 ALA H H 140 8.191 7.369 0.822 1
1 860 . 13 1 1 A 106 106 ALA HA H 140 4.564 4.358 0.206 1
1 864 . 13 1 1 A 106 106 ALA C C 140 177.004 175.848 1.156 1
1 865 . 13 1 1 A 106 106 ALA CA C 140 51.406 50.590 0.816 1
1 866 . 13 1 1 A 106 106 ALA CB C 140 19.500 19.084 0.416 1
1 867 . 13 1 1 A 106 106 ALA N N 140 120.674 121.659 -0.985 1
1 868 . 13 1 1 A 107 107 TYR H H 141 8.458 8.390 0.068 1
1 869 . 13 1 1 A 107 107 TYR HA H 141 4.578 4.718 -0.140 1
1 873 . 13 1 1 A 107 107 TYR C C 141 174.746 174.482 0.264 1
1 874 . 13 1 1 A 107 107 TYR CA C 141 56.554 56.612 -0.058 1
1 875 . 13 1 1 A 107 107 TYR CB C 141 38.649 36.205 2.444 1
1 878 . 13 1 1 A 107 107 TYR N N 141 121.312 124.029 -2.717 1
1 879 . 13 1 1 A 108 108 VAL H H 142 7.941 8.092 -0.151 1
1 880 . 13 1 1 A 108 108 VAL HA H 142 4.008 5.011 -1.003 1
1 888 . 13 1 1 A 108 108 VAL C C 142 174.701 174.813 -0.112 1
1 889 . 13 1 1 A 108 108 VAL CA C 142 60.912 59.663 1.249 1
1 890 . 13 1 1 A 108 108 VAL CB C 142 32.065 35.644 -3.579 1
1 893 . 13 1 1 A 108 108 VAL N N 142 125.257 122.514 2.743 1
1 9 . 14 1 1 A 2 2 TYR H H 36 7.537 8.563 -1.026 1
1 10 . 14 1 1 A 2 2 TYR HA H 36 3.945 4.689 -0.744 1
1 15 . 14 1 1 A 2 2 TYR C C 36 176.000 176.103 -0.103 1
1 16 . 14 1 1 A 2 2 TYR CA C 36 57.871 56.645 1.226 1
1 17 . 14 1 1 A 2 2 TYR CB C 36 37.248 36.077 1.171 1
1 18 . 14 1 1 A 2 2 TYR N N 36 117.048 122.777 -5.729 1
1 19 . 14 1 1 A 3 3 GLU H H 37 7.718 8.167 -0.449 1
1 20 . 14 1 1 A 3 3 GLU HA H 37 4.025 4.708 -0.683 1
1 24 . 14 1 1 A 3 3 GLU C C 37 176.100 176.087 0.013 1
1 25 . 14 1 1 A 3 3 GLU CA C 37 56.788 55.916 0.872 1
1 26 . 14 1 1 A 3 3 GLU CB C 37 29.527 29.636 -0.109 1
1 28 . 14 1 1 A 3 3 GLU N N 37 118.925 120.207 -1.282 1
1 29 . 14 1 1 A 4 4 GLU H H 38 7.866 7.859 0.007 1
1 30 . 14 1 1 A 4 4 GLU HA H 38 4.215 4.384 -0.169 1
1 35 . 14 1 1 A 4 4 GLU C C 38 176.205 175.369 0.836 1
1 36 . 14 1 1 A 4 4 GLU CA C 38 55.595 55.475 0.120 1
1 37 . 14 1 1 A 4 4 GLU CB C 38 29.162 28.323 0.839 1
1 38 . 14 1 1 A 4 4 GLU N N 38 116.623 122.805 -6.182 1
1 39 . 14 1 1 A 5 5 PHE H H 39 8.087 8.764 -0.677 1
1 40 . 14 1 1 A 5 5 PHE HA H 39 4.780 5.329 -0.549 1
1 46 . 14 1 1 A 5 5 PHE C C 39 176.758 174.058 2.700 1
1 47 . 14 1 1 A 5 5 PHE CA C 39 54.914 56.236 -1.322 1
1 48 . 14 1 1 A 5 5 PHE CB C 39 36.531 42.181 -5.650 1
1 49 . 14 1 1 A 5 5 PHE N N 39 121.852 127.501 -5.649 1
1 50 . 14 1 1 A 6 6 ARG HA H 40 4.515 4.870 -0.355 1
1 51 . 14 1 1 A 6 6 ARG C C 40 176.376 174.131 2.245 1
1 52 . 14 1 1 A 6 6 ARG CA C 40 56.288 55.077 1.211 1
1 53 . 14 1 1 A 6 6 ARG CB C 40 31.100 31.071 0.029 1
1 54 . 14 1 1 A 7 7 ASP H H 41 8.851 7.435 1.416 1
1 55 . 14 1 1 A 7 7 ASP HA H 41 5.182 4.581 0.601 1
1 57 . 14 1 1 A 7 7 ASP C C 41 175.379 175.869 -0.490 1
1 58 . 14 1 1 A 7 7 ASP CA C 41 53.324 52.784 0.540 1
1 59 . 14 1 1 A 7 7 ASP CB C 41 44.292 42.304 1.988 1
1 60 . 14 1 1 A 7 7 ASP N N 41 119.795 122.787 -2.992 1
1 61 . 14 1 1 A 8 8 VAL H H 42 8.580 8.435 0.145 1
1 62 . 14 1 1 A 8 8 VAL HA H 42 4.856 4.838 0.018 1
1 70 . 14 1 1 A 8 8 VAL C C 42 175.170 174.992 0.178 1
1 71 . 14 1 1 A 8 8 VAL CA C 42 61.398 61.099 0.299 1
1 72 . 14 1 1 A 8 8 VAL CB C 42 33.643 33.330 0.313 1
1 75 . 14 1 1 A 8 8 VAL N N 42 120.042 119.197 0.845 1
1 76 . 14 1 1 A 9 9 ILE H H 43 8.765 8.855 -0.090 1
1 77 . 14 1 1 A 9 9 ILE HA H 43 4.939 4.985 -0.046 1
1 79 . 14 1 1 A 9 9 ILE C C 43 173.755 174.495 -0.740 1
1 80 . 14 1 1 A 9 9 ILE CA C 43 58.528 59.473 -0.945 1
1 81 . 14 1 1 A 9 9 ILE CB C 43 40.437 41.908 -1.471 1
1 82 . 14 1 1 A 9 9 ILE N N 43 117.778 126.910 -9.132 1
1 83 . 14 1 1 A 10 10 THR H H 44 7.834 8.566 -0.732 1
1 84 . 14 1 1 A 10 10 THR HA H 44 4.709 4.479 0.230 1
1 87 . 14 1 1 A 10 10 THR C C 44 173.691 173.508 0.183 1
1 88 . 14 1 1 A 10 10 THR CA C 44 61.662 61.473 0.189 1
1 89 . 14 1 1 A 10 10 THR CB C 44 70.906 69.282 1.624 1
1 91 . 14 1 1 A 10 10 THR N N 44 116.613 123.392 -6.779 1
1 92 . 14 1 1 A 11 11 PHE H H 45 8.821 8.463 0.358 1
1 93 . 14 1 1 A 11 11 PHE HA H 45 4.807 5.135 -0.328 1
1 94 . 14 1 1 A 11 11 PHE C C 45 175.619 175.283 0.336 1
1 95 . 14 1 1 A 11 11 PHE CA C 45 57.779 56.702 1.077 1
1 96 . 14 1 1 A 11 11 PHE CB C 45 39.649 40.574 -0.925 1
1 97 . 14 1 1 A 11 11 PHE N N 45 125.155 126.309 -1.154 1
1 98 . 14 1 1 A 12 12 GLN H H 46 9.103 8.585 0.518 1
1 99 . 14 1 1 A 12 12 GLN HA H 46 5.573 5.234 0.339 1
1 103 . 14 1 1 A 12 12 GLN C C 46 175.011 175.363 -0.352 1
1 104 . 14 1 1 A 12 12 GLN CA C 46 54.423 54.409 0.014 1
1 105 . 14 1 1 A 12 12 GLN CB C 46 34.467 32.261 2.206 1
1 106 . 14 1 1 A 12 12 GLN N N 46 119.069 122.159 -3.090 1
1 107 . 14 1 1 A 13 13 SER H H 47 8.730 9.019 -0.289 1
1 108 . 14 1 1 A 13 13 SER HA H 47 5.229 5.505 -0.276 1
1 110 . 14 1 1 A 13 13 SER C C 47 171.559 172.149 -0.590 1
1 111 . 14 1 1 A 13 13 SER CA C 47 56.514 56.571 -0.057 1
1 112 . 14 1 1 A 13 13 SER CB C 47 66.075 66.574 -0.499 1
1 113 . 14 1 1 A 13 13 SER N N 47 114.734 114.266 0.468 1
1 114 . 14 1 1 A 14 14 TYR H H 48 8.544 8.699 -0.155 1
1 115 . 14 1 1 A 14 14 TYR HA H 48 4.256 4.923 -0.667 1
1 120 . 14 1 1 A 14 14 TYR C C 48 175.437 173.750 1.687 1
1 121 . 14 1 1 A 14 14 TYR CA C 48 56.137 55.412 0.725 1
1 122 . 14 1 1 A 14 14 TYR CB C 48 36.242 40.716 -4.474 1
1 125 . 14 1 1 A 14 14 TYR N N 48 126.962 124.299 2.663 1
1 126 . 14 1 1 A 15 15 VAL H H 49 8.537 9.442 -0.905 1
1 127 . 14 1 1 A 15 15 VAL HA H 49 4.360 4.601 -0.241 1
1 132 . 14 1 1 A 15 15 VAL C C 49 174.600 174.379 0.221 1
1 133 . 14 1 1 A 15 15 VAL CA C 49 62.600 60.643 1.957 1
1 134 . 14 1 1 A 15 15 VAL CB C 49 35.100 34.499 0.601 1
1 136 . 14 1 1 A 15 15 VAL N N 49 123.837 127.947 -4.110 1
1 137 . 14 1 1 A 16 16 GLU H H 50 8.296 8.618 -0.322 1
1 138 . 14 1 1 A 16 16 GLU HA H 50 3.702 3.960 -0.258 1
1 142 . 14 1 1 A 16 16 GLU C C 50 175.947 176.501 -0.554 1
1 143 . 14 1 1 A 16 16 GLU CA C 50 55.400 56.544 -1.144 1
1 144 . 14 1 1 A 16 16 GLU CB C 50 30.100 29.802 0.298 1
1 145 . 14 1 1 A 16 16 GLU N N 50 124.989 127.730 -2.741 1
1 146 . 14 1 1 A 17 17 GLN H H 51 8.529 8.849 -0.320 1
1 147 . 14 1 1 A 17 17 GLN HA H 51 4.415 3.990 0.425 1
1 151 . 14 1 1 A 17 17 GLN C C 51 175.122 175.435 -0.313 1
1 152 . 14 1 1 A 17 17 GLN CA C 51 54.060 56.482 -2.422 1
1 153 . 14 1 1 A 17 17 GLN CB C 51 29.943 26.357 3.586 1
1 155 . 14 1 1 A 17 17 GLN N N 51 124.656 121.950 2.706 1
1 156 . 14 1 1 A 18 18 SER HA H 52 4.420 4.749 -0.329 1
1 157 . 14 1 1 A 18 18 SER C C 52 173.505 174.375 -0.870 1
1 158 . 14 1 1 A 18 18 SER CA C 52 58.279 56.897 1.382 1
1 159 . 14 1 1 A 18 18 SER CB C 52 63.835 63.933 -0.098 1
1 160 . 14 1 1 A 19 19 ASN H H 53 8.109 8.269 -0.160 1
1 161 . 14 1 1 A 19 19 ASN HA H 53 4.399 4.886 -0.487 1
1 164 . 14 1 1 A 19 19 ASN C C 53 179.837 175.531 4.306 1
1 165 . 14 1 1 A 19 19 ASN CA C 53 54.664 52.596 2.068 1
1 166 . 14 1 1 A 19 19 ASN CB C 53 39.983 39.062 0.921 1
1 167 . 14 1 1 A 19 19 ASN N N 53 126.199 120.987 5.212 1
1 168 . 14 1 1 A 20 20 GLY H H 54 8.166 8.043 0.123 1
1 169 . 14 1 1 A 20 20 GLY HA2 H 54 3.911 3.939 -0.028 1
1 170 . 14 1 1 A 20 20 GLY C C 54 174.876 174.968 -0.092 1
1 171 . 14 1 1 A 20 20 GLY CA C 54 45.206 45.952 -0.746 1
1 172 . 14 1 1 A 20 20 GLY N N 54 113.067 107.779 5.288 1
1 173 . 14 1 1 A 22 22 GLY CA C 56 45.279 45.821 -0.542 1
1 174 . 14 1 1 A 23 23 GLY H H 57 8.235 8.484 -0.249 1
1 175 . 14 1 1 A 23 23 GLY HA2 H 57 3.929 4.165 -0.236 1
1 176 . 14 1 1 A 23 23 GLY C C 57 173.796 173.248 0.548 1
1 177 . 14 1 1 A 23 23 GLY CA C 57 45.348 44.771 0.577 1
1 178 . 14 1 1 A 23 23 GLY N N 57 108.389 107.407 0.982 1
1 179 . 14 1 1 A 24 24 LYS HA H 58 4.804 4.626 0.178 1
1 180 . 14 1 1 A 24 24 LYS C C 58 175.908 175.232 0.676 1
1 181 . 14 1 1 A 24 24 LYS CA C 58 54.833 54.918 -0.085 1
1 182 . 14 1 1 A 24 24 LYS CB C 58 34.402 32.553 1.849 1
1 183 . 14 1 1 A 25 25 THR H H 59 8.413 7.346 1.067 1
1 184 . 14 1 1 A 25 25 THR HA H 59 4.482 4.893 -0.411 1
1 187 . 14 1 1 A 25 25 THR C C 59 171.934 173.319 -1.385 1
1 188 . 14 1 1 A 25 25 THR CA C 59 60.144 60.146 -0.002 1
1 189 . 14 1 1 A 25 25 THR CB C 59 71.035 71.305 -0.270 1
1 191 . 14 1 1 A 25 25 THR N N 59 115.947 111.178 4.769 1
1 192 . 14 1 1 A 26 26 TYR H H 60 8.182 8.707 -0.525 1
1 193 . 14 1 1 A 26 26 TYR HA H 60 4.883 5.321 -0.438 1
1 198 . 14 1 1 A 26 26 TYR C C 60 173.593 174.794 -1.201 1
1 199 . 14 1 1 A 26 26 TYR CA C 60 54.043 55.807 -1.764 1
1 200 . 14 1 1 A 26 26 TYR CB C 60 40.100 39.710 0.390 1
1 202 . 14 1 1 A 26 26 TYR N N 60 121.985 119.165 2.820 1
1 203 . 14 1 1 A 27 27 LYS H H 61 8.385 8.768 -0.383 1
1 204 . 14 1 1 A 27 27 LYS HA H 61 4.563 4.929 -0.366 1
1 205 . 14 1 1 A 27 27 LYS C C 61 174.186 175.828 -1.642 1
1 206 . 14 1 1 A 27 27 LYS CA C 61 54.589 54.371 0.218 1
1 207 . 14 1 1 A 27 27 LYS CB C 61 35.801 35.517 0.284 1
1 208 . 14 1 1 A 27 27 LYS N N 61 120.203 121.761 -1.558 1
1 209 . 14 1 1 A 28 28 TRP H H 62 8.524 8.964 -0.440 1
1 210 . 14 1 1 A 28 28 TRP HA H 62 5.361 5.308 0.053 1
1 215 . 14 1 1 A 28 28 TRP C C 62 176.934 175.814 1.120 1
1 216 . 14 1 1 A 28 28 TRP CA C 62 56.499 57.105 -0.606 1
1 217 . 14 1 1 A 28 28 TRP CB C 62 29.300 31.038 -1.738 1
1 218 . 14 1 1 A 28 28 TRP N N 62 122.913 123.790 -0.877 1
1 220 . 14 1 1 A 29 29 VAL H H 63 9.470 8.690 0.780 1
1 221 . 14 1 1 A 29 29 VAL HA H 63 4.626 4.904 -0.278 1
1 229 . 14 1 1 A 29 29 VAL C C 63 175.264 173.195 2.069 1
1 230 . 14 1 1 A 29 29 VAL CA C 63 59.163 60.397 -1.234 1
1 231 . 14 1 1 A 29 29 VAL CB C 63 34.759 35.913 -1.154 1
1 234 . 14 1 1 A 29 29 VAL N N 63 120.454 121.486 -1.032 1
1 235 . 14 1 1 A 30 30 ASP H H 64 8.576 8.790 -0.214 1
1 236 . 14 1 1 A 30 30 ASP HA H 64 4.386 5.111 -0.725 1
1 237 . 14 1 1 A 30 30 ASP C C 64 174.186 176.329 -2.143 1
1 238 . 14 1 1 A 30 30 ASP CA C 64 55.907 54.324 1.583 1
1 239 . 14 1 1 A 30 30 ASP CB C 64 39.942 42.794 -2.852 1
1 240 . 14 1 1 A 30 30 ASP N N 64 123.588 126.260 -2.672 1
1 241 . 14 1 1 A 31 31 GLU H H 65 9.482 9.467 0.015 1
1 242 . 14 1 1 A 31 31 GLU HA H 65 4.674 4.458 0.216 1
1 246 . 14 1 1 A 31 31 GLU C C 65 176.000 176.435 -0.435 1
1 247 . 14 1 1 A 31 31 GLU CA C 65 57.263 58.263 -1.000 1
1 248 . 14 1 1 A 31 31 GLU CB C 65 30.200 31.290 -1.090 1
1 250 . 14 1 1 A 31 31 GLU N N 65 124.008 125.311 -1.303 1
1 251 . 14 1 1 A 32 32 PHE H H 66 7.257 7.466 -0.209 1
1 252 . 14 1 1 A 32 32 PHE HA H 66 4.940 5.106 -0.166 1
1 254 . 14 1 1 A 32 32 PHE C C 66 172.742 172.556 0.186 1
1 255 . 14 1 1 A 32 32 PHE CA C 66 56.316 56.675 -0.359 1
1 256 . 14 1 1 A 32 32 PHE CB C 66 38.948 40.524 -1.576 1
1 257 . 14 1 1 A 32 32 PHE N N 66 110.866 112.941 -2.075 1
1 258 . 14 1 1 A 33 33 THR H H 67 8.603 8.884 -0.281 1
1 259 . 14 1 1 A 33 33 THR HA H 67 5.377 5.187 0.190 1
1 262 . 14 1 1 A 33 33 THR C C 67 173.388 172.357 1.031 1
1 263 . 14 1 1 A 33 33 THR CA C 67 60.207 60.285 -0.078 1
1 264 . 14 1 1 A 33 33 THR CB C 67 71.620 71.538 0.082 1
1 266 . 14 1 1 A 33 33 THR N N 67 114.847 114.868 -0.021 1
1 267 . 14 1 1 A 34 34 ALA H H 68 9.185 8.541 0.644 1
1 268 . 14 1 1 A 34 34 ALA HA H 68 4.873 4.931 -0.058 1
1 272 . 14 1 1 A 34 34 ALA C C 68 174.999 175.934 -0.935 1
1 273 . 14 1 1 A 34 34 ALA CA C 68 50.660 51.500 -0.840 1
1 274 . 14 1 1 A 34 34 ALA CB C 68 23.911 23.762 0.149 1
1 275 . 14 1 1 A 34 34 ALA N N 68 125.817 129.079 -3.262 1
1 276 . 14 1 1 A 35 35 ALA H H 69 8.347 8.597 -0.250 1
1 277 . 14 1 1 A 35 35 ALA HA H 69 4.889 5.087 -0.198 1
1 281 . 14 1 1 A 35 35 ALA C C 69 176.937 176.809 0.128 1
1 282 . 14 1 1 A 35 35 ALA CA C 69 51.329 51.180 0.149 1
1 283 . 14 1 1 A 35 35 ALA CB C 69 19.210 20.186 -0.976 1
1 284 . 14 1 1 A 35 35 ALA N N 69 122.342 122.460 -0.118 1
1 285 . 14 1 1 A 36 36 ALA H H 70 8.468 8.761 -0.293 1
1 286 . 14 1 1 A 36 36 ALA HA H 70 4.996 4.867 0.129 1
1 290 . 14 1 1 A 36 36 ALA C C 70 175.102 175.362 -0.260 1
1 291 . 14 1 1 A 36 36 ALA CA C 70 50.876 51.700 -0.824 1
1 292 . 14 1 1 A 36 36 ALA CB C 70 23.556 23.673 -0.117 1
1 293 . 14 1 1 A 36 36 ALA N N 70 120.267 125.383 -5.116 1
1 294 . 14 1 1 A 37 37 HIS H H 71 9.136 8.388 0.748 1
1 295 . 14 1 1 A 37 37 HIS HA H 71 5.343 5.245 0.098 1
1 298 . 14 1 1 A 37 37 HIS C C 71 174.002 173.347 0.655 1
1 299 . 14 1 1 A 37 37 HIS CA C 71 54.803 54.291 0.512 1
1 300 . 14 1 1 A 37 37 HIS CB C 71 32.322 32.907 -0.585 1
1 301 . 14 1 1 A 37 37 HIS N N 71 119.360 119.237 0.123 1
1 302 . 14 1 1 A 38 38 VAL H H 72 8.557 8.915 -0.358 1
1 303 . 14 1 1 A 38 38 VAL HA H 72 4.174 4.381 -0.207 1
1 311 . 14 1 1 A 38 38 VAL C C 72 174.000 174.033 -0.033 1
1 312 . 14 1 1 A 38 38 VAL CA C 72 61.587 61.145 0.442 1
1 313 . 14 1 1 A 38 38 VAL CB C 72 31.381 32.127 -0.746 1
1 316 . 14 1 1 A 38 38 VAL N N 72 127.947 127.701 0.246 1
1 317 . 14 1 1 A 39 39 GLN H H 73 8.971 8.514 0.457 1
1 318 . 14 1 1 A 39 39 GLN HA H 73 5.019 4.540 0.479 1
1 321 . 14 1 1 A 39 39 GLN C C 73 173.260 173.930 -0.670 1
1 322 . 14 1 1 A 39 39 GLN CA C 73 51.310 52.178 -0.868 1
1 323 . 14 1 1 A 39 39 GLN CB C 73 30.955 31.864 -0.909 1
1 324 . 14 1 1 A 39 39 GLN N N 73 127.985 127.686 0.299 1
1 325 . 14 1 1 A 40 40 PRO HA H 74 4.707 3.124 1.583 1
1 329 . 14 1 1 A 40 40 PRO C C 74 3.820 176.396 -172.576 1
1 330 . 14 1 1 A 40 40 PRO CA C 74 176.828 62.653 114.175 1
1 331 . 14 1 1 A 40 40 PRO CB C 74 62.215 32.022 30.193 1
1 333 . 14 1 1 A 40 40 PRO N N 74 50.800 138.178 -87.378 1
1 334 . 14 1 1 A 41 41 ILE H H 75 8.105 8.133 -0.028 1
1 335 . 14 1 1 A 41 41 ILE HA H 75 4.074 3.887 0.187 1
1 338 . 14 1 1 A 41 41 ILE C C 75 175.881 174.439 1.442 1
1 339 . 14 1 1 A 41 41 ILE CA C 75 61.399 63.355 -1.956 1
1 340 . 14 1 1 A 41 41 ILE CB C 75 38.214 36.586 1.628 1
1 342 . 14 1 1 A 41 41 ILE N N 75 122.818 117.610 5.208 1
1 343 . 14 1 1 A 43 43 GLN HA H 77 4.267 4.012 0.255 1
1 344 . 14 1 1 A 43 43 GLN C C 77 176.255 178.014 -1.759 1
1 345 . 14 1 1 A 43 43 GLN CA C 77 56.500 57.899 -1.399 1
1 346 . 14 1 1 A 43 43 GLN CB C 77 29.100 28.450 0.650 1
1 347 . 14 1 1 A 44 44 GLU H H 78 8.458 7.839 0.619 1
1 348 . 14 1 1 A 44 44 GLU HA H 78 4.184 4.011 0.173 1
1 351 . 14 1 1 A 44 44 GLU C C 78 177.000 178.357 -1.357 1
1 352 . 14 1 1 A 44 44 GLU CA C 78 57.400 58.253 -0.853 1
1 353 . 14 1 1 A 44 44 GLU CB C 78 29.148 29.410 -0.262 1
1 355 . 14 1 1 A 44 44 GLU N N 78 120.627 117.957 2.670 1
1 356 . 14 1 1 A 45 45 GLU H H 79 8.283 8.710 -0.427 1
1 357 . 14 1 1 A 45 45 GLU HA H 79 4.121 4.124 -0.003 1
1 360 . 14 1 1 A 45 45 GLU C C 79 176.972 178.686 -1.714 1
1 361 . 14 1 1 A 45 45 GLU CA C 79 57.106 59.337 -2.231 1
1 362 . 14 1 1 A 45 45 GLU CB C 79 29.680 29.231 0.449 1
1 364 . 14 1 1 A 45 45 GLU N N 79 119.997 118.524 1.473 1
1 365 . 14 1 1 A 46 46 TYR H H 80 7.961 7.941 0.020 1
1 366 . 14 1 1 A 46 46 TYR HA H 80 4.369 4.218 0.151 1
1 369 . 14 1 1 A 46 46 TYR C C 80 176.086 176.891 -0.805 1
1 370 . 14 1 1 A 46 46 TYR CA C 80 58.284 60.047 -1.763 1
1 371 . 14 1 1 A 46 46 TYR CB C 80 38.214 39.090 -0.876 1
1 372 . 14 1 1 A 46 46 TYR N N 80 119.582 121.658 -2.076 1
1 373 . 14 1 1 A 47 47 TYR H H 81 7.918 7.721 0.197 1
1 374 . 14 1 1 A 47 47 TYR HA H 81 4.399 4.602 -0.203 1
1 378 . 14 1 1 A 47 47 TYR C C 81 176.566 175.352 1.214 1
1 379 . 14 1 1 A 47 47 TYR CA C 81 58.479 58.699 -0.220 1
1 380 . 14 1 1 A 47 47 TYR CB C 81 38.042 38.925 -0.883 1
1 381 . 14 1 1 A 47 47 TYR N N 81 119.336 114.933 4.403 1
1 382 . 14 1 1 A 48 48 LYS HA H 82 4.090 4.009 0.081 1
1 383 . 14 1 1 A 48 48 LYS C C 82 176.894 177.325 -0.431 1
1 384 . 14 1 1 A 48 48 LYS CA C 82 56.786 57.252 -0.466 1
1 385 . 14 1 1 A 48 48 LYS CB C 82 32.306 30.857 1.449 1
1 386 . 14 1 1 A 49 49 ALA H H 83 7.999 7.534 0.465 1
1 387 . 14 1 1 A 49 49 ALA HA H 83 4.178 4.430 -0.252 1
1 391 . 14 1 1 A 49 49 ALA C C 83 178.193 177.844 0.349 1
1 392 . 14 1 1 A 49 49 ALA CA C 83 52.825 51.879 0.946 1
1 393 . 14 1 1 A 49 49 ALA CB C 83 18.200 18.958 -0.758 1
1 394 . 14 1 1 A 49 49 ALA N N 83 122.394 120.537 1.857 1
1 395 . 14 1 1 A 50 50 GLN H H 84 8.006 7.864 0.142 1
1 396 . 14 1 1 A 50 50 GLN HA H 84 4.167 4.473 -0.306 1
1 400 . 14 1 1 A 50 50 GLN C C 84 176.200 174.812 1.388 1
1 401 . 14 1 1 A 50 50 GLN CA C 84 56.016 55.377 0.639 1
1 402 . 14 1 1 A 50 50 GLN CB C 84 28.467 27.102 1.365 1
1 404 . 14 1 1 A 50 50 GLN N N 84 116.623 119.398 -2.775 1
1 405 . 14 1 1 A 51 51 GLN H H 85 8.085 7.956 0.129 1
1 406 . 14 1 1 A 51 51 GLN HA H 85 4.223 4.940 -0.717 1
1 410 . 14 1 1 A 51 51 GLN CA C 85 56.393 54.588 1.805 1
1 411 . 14 1 1 A 51 51 GLN CB C 85 28.600 31.376 -2.776 1
1 413 . 14 1 1 A 51 51 GLN N N 85 118.681 122.262 -3.581 1
1 414 . 14 1 1 A 53 53 GLN HA H 87 4.268 3.937 0.331 1
1 415 . 14 1 1 A 53 53 GLN C C 87 175.517 174.679 0.838 1
1 416 . 14 1 1 A 53 53 GLN CA C 87 55.821 56.725 -0.904 1
1 417 . 14 1 1 A 53 53 GLN CB C 87 28.296 27.237 1.059 1
1 418 . 14 1 1 A 54 54 THR H H 88 7.950 7.762 0.188 1
1 419 . 14 1 1 A 54 54 THR HA H 88 4.540 4.736 -0.196 1
1 422 . 14 1 1 A 54 54 THR C C 88 172.445 172.179 0.266 1
1 423 . 14 1 1 A 54 54 THR CA C 88 59.184 58.500 0.684 1
1 424 . 14 1 1 A 54 54 THR CB C 88 69.534 71.727 -2.193 1
1 426 . 14 1 1 A 54 54 THR N N 88 116.337 116.044 0.293 1
1 427 . 14 1 1 A 55 55 PRO HA H 89 4.410 4.590 -0.180 1
1 431 . 14 1 1 A 55 55 PRO C C 89 3.600 176.439 -172.839 1
1 432 . 14 1 1 A 55 55 PRO CA C 89 176.508 62.252 114.256 1
1 433 . 14 1 1 A 55 55 PRO CB C 89 62.325 32.419 29.906 1
1 436 . 14 1 1 A 55 55 PRO N N 89 50.400 138.534 -88.134 1
1 437 . 14 1 1 A 56 56 ILE H H 90 8.247 8.203 0.044 1
1 438 . 14 1 1 A 56 56 ILE HA H 90 3.993 4.107 -0.114 1
1 443 . 14 1 1 A 56 56 ILE C C 90 175.132 174.775 0.357 1
1 444 . 14 1 1 A 56 56 ILE CA C 90 60.718 61.797 -1.079 1
1 445 . 14 1 1 A 56 56 ILE CB C 90 38.277 38.967 -0.690 1
1 447 . 14 1 1 A 56 56 ILE N N 90 121.921 122.227 -0.306 1
1 448 . 14 1 1 A 57 57 GLY H H 91 7.820 8.580 -0.760 1
1 449 . 14 1 1 A 57 57 GLY HA2 H 91 4.550 4.307 0.243 1
1 450 . 14 1 1 A 57 57 GLY HA3 H 91 3.640 4.371 -0.731 1
1 451 . 14 1 1 A 57 57 GLY C C 91 172.184 171.624 0.560 1
1 452 . 14 1 1 A 57 57 GLY CA C 91 43.575 44.112 -0.537 1
1 453 . 14 1 1 A 57 57 GLY N N 91 110.987 114.555 -3.568 1
1 454 . 14 1 1 A 58 58 TYR H H 92 8.593 9.030 -0.437 1
1 455 . 14 1 1 A 58 58 TYR HA H 92 5.166 5.125 0.041 1
1 460 . 14 1 1 A 58 58 TYR C C 92 175.122 174.167 0.955 1
1 461 . 14 1 1 A 58 58 TYR CA C 92 56.544 56.613 -0.069 1
1 462 . 14 1 1 A 58 58 TYR CB C 92 43.819 43.058 0.761 1
1 465 . 14 1 1 A 58 58 TYR N N 92 116.307 121.898 -5.591 1
1 466 . 14 1 1 A 59 59 ASN H H 93 8.964 9.154 -0.190 1
1 467 . 14 1 1 A 59 59 ASN HA H 93 5.116 5.393 -0.277 1
1 470 . 14 1 1 A 59 59 ASN C C 93 173.457 174.238 -0.781 1
1 471 . 14 1 1 A 59 59 ASN CA C 93 52.717 51.999 0.718 1
1 472 . 14 1 1 A 59 59 ASN CB C 93 40.420 41.425 -1.005 1
1 473 . 14 1 1 A 59 59 ASN N N 93 119.232 121.354 -2.122 1
1 474 . 14 1 1 A 60 60 ILE H H 94 9.013 8.924 0.089 1
1 475 . 14 1 1 A 60 60 ILE HA H 94 4.383 4.997 -0.614 1
1 476 . 14 1 1 A 60 60 ILE C C 94 173.370 174.064 -0.694 1
1 477 . 14 1 1 A 60 60 ILE CA C 94 60.231 60.327 -0.096 1
1 478 . 14 1 1 A 60 60 ILE CB C 94 38.728 41.366 -2.638 1
1 479 . 14 1 1 A 60 60 ILE N N 94 123.021 125.917 -2.896 1
1 480 . 14 1 1 A 61 61 TYR H H 95 8.867 8.355 0.512 1
1 481 . 14 1 1 A 61 61 TYR HA H 95 5.279 5.466 -0.187 1
1 486 . 14 1 1 A 61 61 TYR C C 95 174.262 174.099 0.163 1
1 487 . 14 1 1 A 61 61 TYR CA C 95 55.732 56.000 -0.268 1
1 488 . 14 1 1 A 61 61 TYR CB C 95 39.723 41.438 -1.715 1
1 491 . 14 1 1 A 61 61 TYR N N 95 125.343 126.255 -0.912 1
1 492 . 14 1 1 A 62 62 THR H H 96 8.998 8.504 0.494 1
1 493 . 14 1 1 A 62 62 THR HA H 96 4.889 4.606 0.283 1
1 496 . 14 1 1 A 62 62 THR C C 96 172.708 172.563 0.145 1
1 497 . 14 1 1 A 62 62 THR CA C 96 58.248 58.883 -0.635 1
1 498 . 14 1 1 A 62 62 THR CB C 96 73.097 72.200 0.897 1
1 500 . 14 1 1 A 62 62 THR N N 96 119.223 121.770 -2.547 1
1 501 . 14 1 1 A 63 63 PRO HA H 97 4.410 4.879 -0.469 1
1 503 . 14 1 1 A 63 63 PRO C C 97 3.190 177.183 -173.993 1
1 504 . 14 1 1 A 63 63 PRO CA C 97 175.250 63.405 111.845 1
1 505 . 14 1 1 A 63 63 PRO CB C 97 63.642 31.621 32.021 1
1 507 . 14 1 1 A 63 63 PRO N N 97 51.700 142.597 -90.897 1
1 508 . 14 1 1 A 64 64 TYR H H 98 7.826 9.060 -1.234 1
1 509 . 14 1 1 A 64 64 TYR HA H 98 4.265 4.301 -0.036 1
1 514 . 14 1 1 A 64 64 TYR C C 98 175.150 173.929 1.221 1
1 515 . 14 1 1 A 64 64 TYR CA C 98 59.434 59.063 0.371 1
1 516 . 14 1 1 A 64 64 TYR CB C 98 37.240 36.909 0.331 1
1 518 . 14 1 1 A 64 64 TYR N N 98 122.118 123.294 -1.176 1
1 519 . 14 1 1 A 65 65 ASP H H 99 5.931 7.900 -1.969 1
1 520 . 14 1 1 A 65 65 ASP HA H 99 4.255 4.683 -0.428 1
1 523 . 14 1 1 A 65 65 ASP C C 99 176.079 175.131 0.948 1
1 524 . 14 1 1 A 65 65 ASP CA C 99 52.885 53.635 -0.750 1
1 525 . 14 1 1 A 65 65 ASP CB C 99 43.486 41.727 1.759 1
1 526 . 14 1 1 A 65 65 ASP N N 99 125.409 120.110 5.299 1
1 527 . 14 1 1 A 66 66 ASP H H 100 8.703 8.755 -0.052 1
1 528 . 14 1 1 A 66 66 ASP HA H 100 4.058 4.655 -0.597 1
1 531 . 14 1 1 A 66 66 ASP C C 100 176.300 177.020 -0.720 1
1 532 . 14 1 1 A 66 66 ASP CA C 100 55.332 53.204 2.128 1
1 533 . 14 1 1 A 66 66 ASP CB C 100 40.206 40.849 -0.643 1
1 534 . 14 1 1 A 66 66 ASP N N 100 128.295 124.652 3.643 1
1 535 . 14 1 1 A 67 67 ARG H H 101 8.832 7.530 1.302 1
1 536 . 14 1 1 A 67 67 ARG HA H 101 3.944 4.398 -0.454 1
1 538 . 14 1 1 A 67 67 ARG C C 101 177.624 176.980 0.644 1
1 539 . 14 1 1 A 67 67 ARG CA C 101 56.509 55.831 0.678 1
1 540 . 14 1 1 A 67 67 ARG CB C 101 31.162 30.478 0.684 1
1 541 . 14 1 1 A 67 67 ARG N N 101 117.507 118.885 -1.378 1
1 542 . 14 1 1 A 68 68 ILE H H 102 7.004 7.859 -0.855 1
1 543 . 14 1 1 A 68 68 ILE HA H 102 3.507 4.128 -0.621 1
1 548 . 14 1 1 A 68 68 ILE C C 102 174.835 175.885 -1.050 1
1 549 . 14 1 1 A 68 68 ILE CA C 102 63.638 63.717 -0.079 1
1 550 . 14 1 1 A 68 68 ILE CB C 102 36.617 37.894 -1.277 1
1 552 . 14 1 1 A 68 68 ILE N N 102 116.003 116.580 -0.577 1
1 553 . 14 1 1 A 69 69 ASP H H 103 8.026 7.612 0.414 1
1 554 . 14 1 1 A 69 69 ASP HA H 103 4.954 4.854 0.100 1
1 557 . 14 1 1 A 69 69 ASP C C 103 175.574 174.308 1.266 1
1 558 . 14 1 1 A 69 69 ASP CA C 103 52.485 52.561 -0.076 1
1 559 . 14 1 1 A 69 69 ASP CB C 103 45.984 42.101 3.883 1
1 560 . 14 1 1 A 69 69 ASP N N 103 129.672 119.859 9.813 1
1 561 . 14 1 1 A 70 70 LYS H H 104 8.505 8.515 -0.010 1
1 562 . 14 1 1 A 70 70 LYS C C 104 175.300 176.115 -0.815 1
1 563 . 14 1 1 A 70 70 LYS CA C 104 58.027 55.263 2.764 1
1 564 . 14 1 1 A 70 70 LYS CB C 104 31.376 33.132 -1.756 1
1 565 . 14 1 1 A 70 70 LYS N N 104 119.646 122.943 -3.297 1
1 566 . 14 1 1 A 71 71 LYS H H 105 8.653 8.167 0.486 1
1 567 . 14 1 1 A 71 71 LYS HA H 105 4.513 3.866 0.647 1
1 571 . 14 1 1 A 71 71 LYS C C 105 178.190 174.955 3.235 1
1 572 . 14 1 1 A 71 71 LYS CA C 105 56.415 57.164 -0.749 1
1 573 . 14 1 1 A 71 71 LYS CB C 105 30.942 29.824 1.118 1
1 575 . 14 1 1 A 71 71 LYS N N 105 118.554 113.181 5.373 1
1 576 . 14 1 1 A 72 72 MET H H 106 7.596 7.295 0.301 1
1 577 . 14 1 1 A 72 72 MET HA H 106 5.019 5.476 -0.457 1
1 578 . 14 1 1 A 72 72 MET C C 106 172.309 174.652 -2.343 1
1 579 . 14 1 1 A 72 72 MET CA C 106 56.500 53.995 2.505 1
1 580 . 14 1 1 A 72 72 MET CB C 106 34.892 38.318 -3.426 1
1 581 . 14 1 1 A 72 72 MET N N 106 119.949 116.633 3.316 1
1 582 . 14 1 1 A 73 73 ARG H H 107 8.266 8.696 -0.430 1
1 583 . 14 1 1 A 73 73 ARG HA H 107 4.075 5.423 -1.348 1
1 585 . 14 1 1 A 73 73 ARG C C 107 172.995 174.832 -1.837 1
1 586 . 14 1 1 A 73 73 ARG CA C 107 53.348 54.796 -1.448 1
1 587 . 14 1 1 A 73 73 ARG CB C 107 31.579 34.010 -2.431 1
1 588 . 14 1 1 A 73 73 ARG N N 107 112.423 122.935 -10.512 1
1 589 . 14 1 1 A 74 74 VAL H H 108 8.371 8.540 -0.169 1
1 590 . 14 1 1 A 74 74 VAL HA H 108 4.954 4.829 0.125 1
1 598 . 14 1 1 A 74 74 VAL C C 108 173.137 174.167 -1.030 1
1 599 . 14 1 1 A 74 74 VAL CA C 108 58.400 59.015 -0.615 1
1 600 . 14 1 1 A 74 74 VAL CB C 108 35.700 35.566 0.134 1
1 603 . 14 1 1 A 74 74 VAL N N 108 117.751 119.876 -2.125 1
1 604 . 14 1 1 A 75 75 ILE H H 109 8.644 8.652 -0.008 1
1 605 . 14 1 1 A 75 75 ILE HA H 109 4.772 4.644 0.128 1
1 610 . 14 1 1 A 75 75 ILE C C 109 176.377 173.931 2.446 1
1 611 . 14 1 1 A 75 75 ILE CA C 109 57.500 60.252 -2.752 1
1 612 . 14 1 1 A 75 75 ILE CB C 109 35.550 39.136 -3.586 1
1 614 . 14 1 1 A 75 75 ILE N N 109 122.741 123.306 -0.565 1
1 615 . 14 1 1 A 76 76 TYR H H 110 8.928 8.580 0.348 1
1 616 . 14 1 1 A 76 76 TYR HA H 110 4.873 4.884 -0.011 1
1 621 . 14 1 1 A 76 76 TYR C C 110 173.400 175.479 -2.079 1
1 622 . 14 1 1 A 76 76 TYR CA C 110 54.699 57.002 -2.303 1
1 623 . 14 1 1 A 76 76 TYR CB C 110 40.392 39.123 1.269 1
1 626 . 14 1 1 A 76 76 TYR N N 110 129.091 128.934 0.157 1
1 627 . 14 1 1 A 77 77 ARG H H 111 9.206 9.024 0.182 1
1 628 . 14 1 1 A 77 77 ARG HA H 111 3.537 3.878 -0.341 1
1 633 . 14 1 1 A 77 77 ARG C C 111 176.065 175.160 0.905 1
1 634 . 14 1 1 A 77 77 ARG CA C 111 56.490 56.975 -0.485 1
1 635 . 14 1 1 A 77 77 ARG CB C 111 27.448 29.016 -1.568 1
1 636 . 14 1 1 A 77 77 ARG N N 111 126.774 127.126 -0.352 1
1 637 . 14 1 1 A 78 78 GLY H H 112 8.155 8.346 -0.191 1
1 638 . 14 1 1 A 78 78 GLY HA2 H 112 4.040 3.831 0.209 1
1 639 . 14 1 1 A 78 78 GLY HA3 H 112 3.540 3.836 -0.296 1
1 640 . 14 1 1 A 78 78 GLY C C 112 173.810 173.878 -0.068 1
1 641 . 14 1 1 A 78 78 GLY CA C 112 45.284 45.165 0.119 1
1 642 . 14 1 1 A 78 78 GLY N N 112 102.172 105.257 -3.085 1
1 643 . 14 1 1 A 79 79 LYS HA H 113 3.910 4.329 -0.419 1
1 644 . 14 1 1 A 79 79 LYS C C 113 174.750 176.287 -1.537 1
1 645 . 14 1 1 A 79 79 LYS CA C 113 53.808 55.847 -2.039 1
1 646 . 14 1 1 A 79 79 LYS CB C 113 33.298 32.246 1.052 1
1 647 . 14 1 1 A 80 80 ILE H H 114 8.484 8.675 -0.191 1
1 648 . 14 1 1 A 80 80 ILE HA H 114 3.860 4.499 -0.639 1
1 653 . 14 1 1 A 80 80 ILE C C 114 174.732 175.020 -0.288 1
1 654 . 14 1 1 A 80 80 ILE CA C 114 61.130 60.261 0.869 1
1 655 . 14 1 1 A 80 80 ILE CB C 114 37.740 38.765 -1.025 1
1 657 . 14 1 1 A 80 80 ILE N N 114 121.186 121.733 -0.547 1
1 658 . 14 1 1 A 81 81 VAL H H 115 9.395 8.284 1.111 1
1 659 . 14 1 1 A 81 81 VAL HA H 115 4.645 4.735 -0.090 1
1 664 . 14 1 1 A 81 81 VAL C C 115 174.934 173.909 1.025 1
1 665 . 14 1 1 A 81 81 VAL CA C 115 60.401 60.276 0.125 1
1 666 . 14 1 1 A 81 81 VAL CB C 115 32.142 34.314 -2.172 1
1 668 . 14 1 1 A 81 81 VAL N N 115 129.212 126.974 2.238 1
1 669 . 14 1 1 A 82 82 THR H H 116 8.661 8.641 0.020 1
1 670 . 14 1 1 A 82 82 THR HA H 116 4.483 5.178 -0.695 1
1 673 . 14 1 1 A 82 82 THR C C 116 175.000 172.372 2.628 1
1 674 . 14 1 1 A 82 82 THR CA C 116 59.911 59.501 0.410 1
1 675 . 14 1 1 A 82 82 THR CB C 116 69.844 71.259 -1.415 1
1 677 . 14 1 1 A 82 82 THR N N 116 120.129 122.410 -2.281 1
1 678 . 14 1 1 A 83 83 PHE H H 117 9.153 8.721 0.432 1
1 679 . 14 1 1 A 83 83 PHE HA H 117 5.003 5.100 -0.097 1
1 681 . 14 1 1 A 83 83 PHE C C 117 177.126 174.129 2.997 1
1 682 . 14 1 1 A 83 83 PHE CA C 117 55.003 56.301 -1.298 1
1 683 . 14 1 1 A 83 83 PHE CB C 117 37.018 40.543 -3.525 1
1 684 . 14 1 1 A 83 83 PHE N N 117 123.251 122.286 0.965 1
1 685 . 14 1 1 A 84 84 ILE H H 118 8.882 8.956 -0.074 1
1 686 . 14 1 1 A 84 84 ILE HA H 118 4.320 4.021 0.299 1
1 695 . 14 1 1 A 84 84 ILE C C 118 175.958 176.788 -0.830 1
1 696 . 14 1 1 A 84 84 ILE CA C 118 60.275 63.795 -3.520 1
1 697 . 14 1 1 A 84 84 ILE CB C 118 37.057 38.445 -1.388 1
1 700 . 14 1 1 A 84 84 ILE N N 118 122.450 120.569 1.881 1
1 701 . 14 1 1 A 85 85 GLY H H 119 8.198 7.773 0.425 1
1 702 . 14 1 1 A 85 85 GLY HA2 H 119 4.050 3.880 0.170 1
1 703 . 14 1 1 A 85 85 GLY HA3 H 119 3.900 3.956 -0.056 1
1 704 . 14 1 1 A 85 85 GLY C C 119 172.376 172.107 0.269 1
1 705 . 14 1 1 A 85 85 GLY CA C 119 44.033 44.512 -0.479 1
1 706 . 14 1 1 A 85 85 GLY N N 119 112.995 107.983 5.012 1
1 707 . 14 1 1 A 86 86 ASP H H 120 8.132 8.511 -0.379 1
1 708 . 14 1 1 A 86 86 ASP HA H 120 4.938 4.995 -0.057 1
1 711 . 14 1 1 A 86 86 ASP C C 120 175.418 174.390 1.028 1
1 712 . 14 1 1 A 86 86 ASP CA C 120 52.656 52.247 0.409 1
1 713 . 14 1 1 A 86 86 ASP CB C 120 40.163 40.770 -0.607 1
1 714 . 14 1 1 A 86 86 ASP N N 120 119.130 119.179 -0.049 1
1 715 . 14 1 1 A 87 87 PRO HA H 121 4.470 4.726 -0.256 1
1 719 . 14 1 1 A 87 87 PRO CA C 121 175.750 62.259 113.491 1
1 720 . 14 1 1 A 87 87 PRO CB C 121 62.414 32.168 30.246 1
1 723 . 14 1 1 A 87 87 PRO N N 121 49.700 140.219 -90.519 1
1 724 . 14 1 1 A 88 88 VAL H H 122 8.707 9.170 -0.463 1
1 725 . 14 1 1 A 88 88 VAL HA H 122 4.400 4.494 -0.094 1
1 733 . 14 1 1 A 88 88 VAL C C 122 174.250 174.960 -0.710 1
1 734 . 14 1 1 A 88 88 VAL CA C 122 60.598 60.652 -0.054 1
1 735 . 14 1 1 A 88 88 VAL CB C 122 34.847 33.873 0.974 1
1 738 . 14 1 1 A 88 88 VAL N N 122 121.987 123.018 -1.031 1
1 739 . 14 1 1 A 89 89 ASP H H 123 8.437 8.845 -0.408 1
1 740 . 14 1 1 A 89 89 ASP HA H 123 5.068 4.776 0.292 1
1 743 . 14 1 1 A 89 89 ASP C C 123 177.435 176.389 1.046 1
1 744 . 14 1 1 A 89 89 ASP CA C 123 52.751 54.287 -1.536 1
1 745 . 14 1 1 A 89 89 ASP CB C 123 40.191 40.783 -0.592 1
1 746 . 14 1 1 A 89 89 ASP N N 123 125.856 127.983 -2.127 1
1 747 . 14 1 1 A 90 90 LEU H H 124 8.793 9.474 -0.681 1
1 748 . 14 1 1 A 90 90 LEU HA H 124 4.047 4.483 -0.436 1
1 749 . 14 1 1 A 90 90 LEU CA C 124 56.836 55.579 1.257 1
1 750 . 14 1 1 A 90 90 LEU CB C 124 41.301 43.022 -1.721 1
1 751 . 14 1 1 A 90 90 LEU N N 124 128.178 126.896 1.282 1
1 752 . 14 1 1 A 91 91 SER H H 125 8.927 7.270 1.657 1
1 753 . 14 1 1 A 91 91 SER HA H 125 4.287 4.658 -0.371 1
1 754 . 14 1 1 A 91 91 SER C C 125 173.984 173.790 0.194 1
1 755 . 14 1 1 A 91 91 SER CA C 125 58.498 56.126 2.372 1
1 756 . 14 1 1 A 91 91 SER CB C 125 63.600 65.767 -2.167 1
1 757 . 14 1 1 A 91 91 SER N N 125 115.226 112.132 3.094 1
1 758 . 14 1 1 A 92 92 GLY H H 126 8.250 8.437 -0.187 1
1 759 . 14 1 1 A 92 92 GLY HA2 H 126 3.950 3.824 0.126 1
1 760 . 14 1 1 A 92 92 GLY HA3 H 126 3.670 3.928 -0.258 1
1 761 . 14 1 1 A 92 92 GLY C C 126 174.700 172.887 1.813 1
1 762 . 14 1 1 A 92 92 GLY CA C 126 45.900 43.817 2.083 1
1 763 . 14 1 1 A 92 92 GLY N N 126 109.395 110.773 -1.378 1
1 764 . 14 1 1 A 94 94 GLN C C 128 174.459 175.262 -0.803 1
1 765 . 14 1 1 A 94 94 GLN CA C 128 56.434 57.323 -0.889 1
1 766 . 14 1 1 A 94 94 GLN CB C 128 25.491 28.442 -2.951 1
1 767 . 14 1 1 A 95 95 GLU H H 129 8.474 7.503 0.971 1
1 768 . 14 1 1 A 95 95 GLU HA H 129 4.596 4.675 -0.079 1
1 772 . 14 1 1 A 95 95 GLU C C 129 177.559 175.081 2.478 1
1 773 . 14 1 1 A 95 95 GLU CA C 129 57.183 55.762 1.421 1
1 774 . 14 1 1 A 95 95 GLU CB C 129 31.432 30.539 0.893 1
1 775 . 14 1 1 A 95 95 GLU N N 129 115.145 120.119 -4.974 1
1 776 . 14 1 1 A 96 96 ILE H H 130 9.393 8.472 0.921 1
1 777 . 14 1 1 A 96 96 ILE HA H 130 4.660 4.866 -0.206 1
1 782 . 14 1 1 A 96 96 ILE C C 130 173.821 175.071 -1.250 1
1 783 . 14 1 1 A 96 96 ILE CA C 130 59.481 60.400 -0.919 1
1 784 . 14 1 1 A 96 96 ILE CB C 130 41.386 40.166 1.220 1
1 785 . 14 1 1 A 96 96 ILE N N 130 124.603 121.485 3.118 1
1 786 . 14 1 1 A 97 97 THR H H 131 9.341 8.901 0.440 1
1 787 . 14 1 1 A 97 97 THR HA H 131 5.135 5.139 -0.004 1
1 790 . 14 1 1 A 97 97 THR C C 131 172.742 172.891 -0.149 1
1 791 . 14 1 1 A 97 97 THR CA C 131 62.458 61.658 0.800 1
1 792 . 14 1 1 A 97 97 THR CB C 131 69.995 70.131 -0.136 1
1 794 . 14 1 1 A 97 97 THR N N 131 125.280 124.261 1.019 1
1 795 . 14 1 1 A 98 98 ARG H H 132 9.286 9.716 -0.430 1
1 796 . 14 1 1 A 98 98 ARG HA H 132 5.263 5.128 0.135 1
1 802 . 14 1 1 A 98 98 ARG C C 132 175.462 173.528 1.934 1
1 803 . 14 1 1 A 98 98 ARG CA C 132 53.122 54.352 -1.230 1
1 804 . 14 1 1 A 98 98 ARG CB C 132 32.555 34.058 -1.503 1
1 805 . 14 1 1 A 98 98 ARG N N 132 126.525 128.764 -2.239 1
1 806 . 14 1 1 A 99 99 ILE H H 133 9.338 8.645 0.693 1
1 807 . 14 1 1 A 99 99 ILE HA H 133 3.959 5.015 -1.056 1
1 816 . 14 1 1 A 99 99 ILE C C 133 173.860 173.959 -0.099 1
1 817 . 14 1 1 A 99 99 ILE CA C 133 59.719 59.538 0.181 1
1 818 . 14 1 1 A 99 99 ILE CB C 133 41.429 41.513 -0.084 1
1 821 . 14 1 1 A 99 99 ILE N N 133 129.483 126.173 3.310 1
1 822 . 14 1 1 A 100 100 LYS H H 134 8.457 8.925 -0.468 1
1 823 . 14 1 1 A 100 100 LYS HA H 134 4.990 5.208 -0.218 1
1 824 . 14 1 1 A 100 100 LYS C C 134 175.750 175.969 -0.219 1
1 825 . 14 1 1 A 100 100 LYS CA C 134 54.548 54.564 -0.016 1
1 826 . 14 1 1 A 100 100 LYS CB C 134 32.800 35.254 -2.454 1
1 827 . 14 1 1 A 100 100 LYS N N 134 128.506 128.834 -0.328 1
1 828 . 14 1 1 A 101 101 GLY H H 135 8.968 8.549 0.419 1
1 829 . 14 1 1 A 101 101 GLY HA2 H 135 5.350 4.495 0.855 1
1 830 . 14 1 1 A 101 101 GLY HA3 H 135 3.290 4.501 -1.211 1
1 831 . 14 1 1 A 101 101 GLY C C 135 171.558 171.977 -0.419 1
1 832 . 14 1 1 A 101 101 GLY CA C 135 44.286 44.999 -0.713 1
1 833 . 14 1 1 A 101 101 GLY N N 135 110.167 110.827 -0.660 1
1 834 . 14 1 1 A 102 102 LYS H H 136 9.158 8.776 0.382 1
1 835 . 14 1 1 A 102 102 LYS C C 136 174.516 175.378 -0.862 1
1 836 . 14 1 1 A 102 102 LYS CA C 136 53.781 55.005 -1.224 1
1 837 . 14 1 1 A 102 102 LYS CB C 136 34.807 36.035 -1.228 1
1 838 . 14 1 1 A 102 102 LYS N N 136 119.838 121.432 -1.594 1
1 839 . 14 1 1 A 103 103 GLU H H 137 8.711 8.632 0.079 1
1 840 . 14 1 1 A 103 103 GLU HA H 137 4.709 4.904 -0.195 1
1 841 . 14 1 1 A 103 103 GLU C C 137 176.875 175.758 1.117 1
1 842 . 14 1 1 A 103 103 GLU CA C 137 56.833 55.511 1.322 1
1 843 . 14 1 1 A 103 103 GLU CB C 137 30.640 31.270 -0.630 1
1 844 . 14 1 1 A 103 103 GLU N N 137 124.293 125.554 -1.261 1
1 845 . 14 1 1 A 104 104 ASP H H 138 9.334 8.727 0.607 1
1 846 . 14 1 1 A 104 104 ASP HA H 138 4.954 4.867 0.087 1
1 849 . 14 1 1 A 104 104 ASP C C 138 175.340 176.100 -0.760 1
1 850 . 14 1 1 A 104 104 ASP CA C 138 53.107 53.982 -0.875 1
1 851 . 14 1 1 A 104 104 ASP CB C 138 42.374 38.708 3.666 1
1 852 . 14 1 1 A 104 104 ASP N N 138 127.542 123.152 4.390 1
1 853 . 14 1 1 A 105 105 GLY H H 139 7.732 8.119 -0.387 1
1 854 . 14 1 1 A 105 105 GLY HA2 H 139 4.360 4.154 0.206 1
1 855 . 14 1 1 A 105 105 GLY HA3 H 139 3.800 4.157 -0.357 1
1 856 . 14 1 1 A 105 105 GLY C C 139 172.374 173.390 -1.016 1
1 857 . 14 1 1 A 105 105 GLY CA C 139 43.800 45.560 -1.760 1
1 858 . 14 1 1 A 105 105 GLY N N 139 106.466 111.668 -5.202 1
1 859 . 14 1 1 A 106 106 ALA H H 140 8.191 8.656 -0.465 1
1 860 . 14 1 1 A 106 106 ALA HA H 140 4.564 3.943 0.621 1
1 864 . 14 1 1 A 106 106 ALA C C 140 177.004 175.378 1.626 1
1 865 . 14 1 1 A 106 106 ALA CA C 140 51.406 54.390 -2.984 1
1 866 . 14 1 1 A 106 106 ALA CB C 140 19.500 17.606 1.894 1
1 867 . 14 1 1 A 106 106 ALA N N 140 120.674 122.274 -1.600 1
1 868 . 14 1 1 A 107 107 TYR H H 141 8.458 7.704 0.754 1
1 869 . 14 1 1 A 107 107 TYR HA H 141 4.578 4.705 -0.127 1
1 873 . 14 1 1 A 107 107 TYR C C 141 174.746 173.823 0.923 1
1 874 . 14 1 1 A 107 107 TYR CA C 141 56.554 58.224 -1.670 1
1 875 . 14 1 1 A 107 107 TYR CB C 141 38.649 40.855 -2.206 1
1 878 . 14 1 1 A 107 107 TYR N N 141 121.312 116.822 4.490 1
1 879 . 14 1 1 A 108 108 VAL H H 142 7.941 7.443 0.498 1
1 880 . 14 1 1 A 108 108 VAL HA H 142 4.008 4.137 -0.129 1
1 888 . 14 1 1 A 108 108 VAL C C 142 174.701 175.493 -0.792 1
1 889 . 14 1 1 A 108 108 VAL CA C 142 60.912 61.497 -0.585 1
1 890 . 14 1 1 A 108 108 VAL CB C 142 32.065 29.643 2.422 1
1 893 . 14 1 1 A 108 108 VAL N N 142 125.257 123.541 1.716 1
1 9 . 15 1 1 A 2 2 TYR H H 36 7.537 7.880 -0.343 1
1 10 . 15 1 1 A 2 2 TYR HA H 36 3.945 4.736 -0.791 1
1 15 . 15 1 1 A 2 2 TYR C C 36 176.000 174.522 1.478 1
1 16 . 15 1 1 A 2 2 TYR CA C 36 57.871 56.524 1.347 1
1 17 . 15 1 1 A 2 2 TYR CB C 36 37.248 36.267 0.981 1
1 18 . 15 1 1 A 2 2 TYR N N 36 117.048 118.289 -1.241 1
1 19 . 15 1 1 A 3 3 GLU H H 37 7.718 7.951 -0.233 1
1 20 . 15 1 1 A 3 3 GLU HA H 37 4.025 4.711 -0.686 1
1 24 . 15 1 1 A 3 3 GLU C C 37 176.100 176.025 0.075 1
1 25 . 15 1 1 A 3 3 GLU CA C 37 56.788 55.477 1.311 1
1 26 . 15 1 1 A 3 3 GLU CB C 37 29.527 31.037 -1.510 1
1 28 . 15 1 1 A 3 3 GLU N N 37 118.925 117.676 1.249 1
1 29 . 15 1 1 A 4 4 GLU H H 38 7.866 8.605 -0.739 1
1 30 . 15 1 1 A 4 4 GLU HA H 38 4.215 4.460 -0.245 1
1 35 . 15 1 1 A 4 4 GLU C C 38 176.205 177.075 -0.870 1
1 36 . 15 1 1 A 4 4 GLU CA C 38 55.595 56.148 -0.553 1
1 37 . 15 1 1 A 4 4 GLU CB C 38 29.162 28.634 0.528 1
1 38 . 15 1 1 A 4 4 GLU N N 38 116.623 118.488 -1.865 1
1 39 . 15 1 1 A 5 5 PHE H H 39 8.087 8.479 -0.392 1
1 40 . 15 1 1 A 5 5 PHE HA H 39 4.780 4.455 0.325 1
1 46 . 15 1 1 A 5 5 PHE C C 39 176.758 175.602 1.156 1
1 47 . 15 1 1 A 5 5 PHE CA C 39 54.914 59.952 -5.038 1
1 48 . 15 1 1 A 5 5 PHE CB C 39 36.531 38.827 -2.296 1
1 49 . 15 1 1 A 5 5 PHE N N 39 121.852 119.646 2.206 1
1 50 . 15 1 1 A 6 6 ARG HA H 40 4.515 3.954 0.561 1
1 51 . 15 1 1 A 6 6 ARG C C 40 176.376 174.215 2.161 1
1 52 . 15 1 1 A 6 6 ARG CA C 40 56.288 56.842 -0.554 1
1 53 . 15 1 1 A 6 6 ARG CB C 40 31.100 27.471 3.629 1
1 54 . 15 1 1 A 7 7 ASP H H 41 8.851 7.684 1.167 1
1 55 . 15 1 1 A 7 7 ASP HA H 41 5.182 4.666 0.516 1
1 57 . 15 1 1 A 7 7 ASP C C 41 175.379 175.900 -0.521 1
1 58 . 15 1 1 A 7 7 ASP CA C 41 53.324 53.598 -0.274 1
1 59 . 15 1 1 A 7 7 ASP CB C 41 44.292 42.089 2.203 1
1 60 . 15 1 1 A 7 7 ASP N N 41 119.795 117.843 1.952 1
1 61 . 15 1 1 A 8 8 VAL H H 42 8.580 8.565 0.015 1
1 62 . 15 1 1 A 8 8 VAL HA H 42 4.856 4.975 -0.119 1
1 70 . 15 1 1 A 8 8 VAL C C 42 175.170 175.694 -0.524 1
1 71 . 15 1 1 A 8 8 VAL CA C 42 61.398 61.078 0.320 1
1 72 . 15 1 1 A 8 8 VAL CB C 42 33.643 33.553 0.090 1
1 75 . 15 1 1 A 8 8 VAL N N 42 120.042 119.819 0.223 1
1 76 . 15 1 1 A 9 9 ILE H H 43 8.765 8.977 -0.212 1
1 77 . 15 1 1 A 9 9 ILE HA H 43 4.939 4.925 0.014 1
1 79 . 15 1 1 A 9 9 ILE C C 43 173.755 174.617 -0.862 1
1 80 . 15 1 1 A 9 9 ILE CA C 43 58.528 59.495 -0.967 1
1 81 . 15 1 1 A 9 9 ILE CB C 43 40.437 41.127 -0.690 1
1 82 . 15 1 1 A 9 9 ILE N N 43 117.778 127.294 -9.516 1
1 83 . 15 1 1 A 10 10 THR H H 44 7.834 8.136 -0.302 1
1 84 . 15 1 1 A 10 10 THR HA H 44 4.709 4.851 -0.142 1
1 87 . 15 1 1 A 10 10 THR C C 44 173.691 173.938 -0.247 1
1 88 . 15 1 1 A 10 10 THR CA C 44 61.662 61.666 -0.004 1
1 89 . 15 1 1 A 10 10 THR CB C 44 70.906 69.552 1.354 1
1 91 . 15 1 1 A 10 10 THR N N 44 116.613 119.734 -3.121 1
1 92 . 15 1 1 A 11 11 PHE H H 45 8.821 8.973 -0.152 1
1 93 . 15 1 1 A 11 11 PHE HA H 45 4.807 5.081 -0.274 1
1 94 . 15 1 1 A 11 11 PHE C C 45 175.619 175.074 0.545 1
1 95 . 15 1 1 A 11 11 PHE CA C 45 57.779 56.385 1.394 1
1 96 . 15 1 1 A 11 11 PHE CB C 45 39.649 40.663 -1.014 1
1 97 . 15 1 1 A 11 11 PHE N N 45 125.155 126.287 -1.132 1
1 98 . 15 1 1 A 12 12 GLN H H 46 9.103 8.841 0.262 1
1 99 . 15 1 1 A 12 12 GLN HA H 46 5.573 5.084 0.489 1
1 103 . 15 1 1 A 12 12 GLN C C 46 175.011 174.360 0.651 1
1 104 . 15 1 1 A 12 12 GLN CA C 46 54.423 54.261 0.162 1
1 105 . 15 1 1 A 12 12 GLN CB C 46 34.467 32.381 2.086 1
1 106 . 15 1 1 A 12 12 GLN N N 46 119.069 121.278 -2.209 1
1 107 . 15 1 1 A 13 13 SER H H 47 8.730 8.872 -0.142 1
1 108 . 15 1 1 A 13 13 SER HA H 47 5.229 5.397 -0.168 1
1 110 . 15 1 1 A 13 13 SER C C 47 171.559 172.000 -0.441 1
1 111 . 15 1 1 A 13 13 SER CA C 47 56.514 56.552 -0.038 1
1 112 . 15 1 1 A 13 13 SER CB C 47 66.075 66.656 -0.581 1
1 113 . 15 1 1 A 13 13 SER N N 47 114.734 116.567 -1.833 1
1 114 . 15 1 1 A 14 14 TYR H H 48 8.544 8.715 -0.171 1
1 115 . 15 1 1 A 14 14 TYR HA H 48 4.256 4.741 -0.485 1
1 120 . 15 1 1 A 14 14 TYR C C 48 175.437 174.125 1.312 1
1 121 . 15 1 1 A 14 14 TYR CA C 48 56.137 55.523 0.614 1
1 122 . 15 1 1 A 14 14 TYR CB C 48 36.242 40.702 -4.460 1
1 125 . 15 1 1 A 14 14 TYR N N 48 126.962 126.714 0.248 1
1 126 . 15 1 1 A 15 15 VAL H H 49 8.537 8.229 0.308 1
1 127 . 15 1 1 A 15 15 VAL HA H 49 4.360 4.664 -0.304 1
1 132 . 15 1 1 A 15 15 VAL C C 49 174.600 174.776 -0.176 1
1 133 . 15 1 1 A 15 15 VAL CA C 49 62.600 58.862 3.738 1
1 134 . 15 1 1 A 15 15 VAL CB C 49 35.100 35.150 -0.050 1
1 136 . 15 1 1 A 15 15 VAL N N 49 123.837 122.144 1.693 1
1 137 . 15 1 1 A 16 16 GLU H H 50 8.296 8.444 -0.148 1
1 138 . 15 1 1 A 16 16 GLU HA H 50 3.702 3.541 0.161 1
1 142 . 15 1 1 A 16 16 GLU C C 50 175.947 175.260 0.687 1
1 143 . 15 1 1 A 16 16 GLU CA C 50 55.400 56.310 -0.910 1
1 144 . 15 1 1 A 16 16 GLU CB C 50 30.100 28.919 1.181 1
1 145 . 15 1 1 A 16 16 GLU N N 50 124.989 122.212 2.777 1
1 146 . 15 1 1 A 17 17 GLN H H 51 8.529 7.732 0.797 1
1 147 . 15 1 1 A 17 17 GLN HA H 51 4.415 4.255 0.160 1
1 151 . 15 1 1 A 17 17 GLN C C 51 175.122 173.617 1.505 1
1 152 . 15 1 1 A 17 17 GLN CA C 51 54.060 55.840 -1.780 1
1 153 . 15 1 1 A 17 17 GLN CB C 51 29.943 30.172 -0.229 1
1 155 . 15 1 1 A 17 17 GLN N N 51 124.656 119.111 5.545 1
1 156 . 15 1 1 A 18 18 SER HA H 52 4.420 4.715 -0.295 1
1 157 . 15 1 1 A 18 18 SER C C 52 173.505 173.271 0.234 1
1 158 . 15 1 1 A 18 18 SER CA C 52 58.279 57.369 0.910 1
1 159 . 15 1 1 A 18 18 SER CB C 52 63.835 61.709 2.126 1
1 160 . 15 1 1 A 19 19 ASN H H 53 8.109 8.066 0.043 1
1 161 . 15 1 1 A 19 19 ASN HA H 53 4.399 5.632 -1.233 1
1 164 . 15 1 1 A 19 19 ASN C C 53 179.837 173.918 5.919 1
1 165 . 15 1 1 A 19 19 ASN CA C 53 54.664 51.488 3.176 1
1 166 . 15 1 1 A 19 19 ASN CB C 53 39.983 42.923 -2.940 1
1 167 . 15 1 1 A 19 19 ASN N N 53 126.199 123.796 2.403 1
1 168 . 15 1 1 A 20 20 GLY H H 54 8.166 8.305 -0.139 1
1 169 . 15 1 1 A 20 20 GLY HA2 H 54 3.911 4.250 -0.339 1
1 170 . 15 1 1 A 20 20 GLY C C 54 174.876 174.262 0.614 1
1 171 . 15 1 1 A 20 20 GLY CA C 54 45.206 45.099 0.107 1
1 172 . 15 1 1 A 20 20 GLY N N 54 113.067 110.392 2.675 1
1 173 . 15 1 1 A 22 22 GLY CA C 56 45.279 45.695 -0.416 1
1 174 . 15 1 1 A 23 23 GLY H H 57 8.235 8.244 -0.009 1
1 175 . 15 1 1 A 23 23 GLY HA2 H 57 3.929 4.160 -0.231 1
1 176 . 15 1 1 A 23 23 GLY C C 57 173.796 172.160 1.636 1
1 177 . 15 1 1 A 23 23 GLY CA C 57 45.348 45.900 -0.552 1
1 178 . 15 1 1 A 23 23 GLY N N 57 108.389 110.299 -1.910 1
1 179 . 15 1 1 A 24 24 LYS HA H 58 4.804 4.870 -0.066 1
1 180 . 15 1 1 A 24 24 LYS C C 58 175.908 174.361 1.547 1
1 181 . 15 1 1 A 24 24 LYS CA C 58 54.833 54.736 0.097 1
1 182 . 15 1 1 A 24 24 LYS CB C 58 34.402 36.333 -1.931 1
1 183 . 15 1 1 A 25 25 THR H H 59 8.413 8.231 0.182 1
1 184 . 15 1 1 A 25 25 THR HA H 59 4.482 5.344 -0.862 1
1 187 . 15 1 1 A 25 25 THR C C 59 171.934 172.151 -0.217 1
1 188 . 15 1 1 A 25 25 THR CA C 59 60.144 59.989 0.155 1
1 189 . 15 1 1 A 25 25 THR CB C 59 71.035 72.394 -1.359 1
1 191 . 15 1 1 A 25 25 THR N N 59 115.947 112.623 3.324 1
1 192 . 15 1 1 A 26 26 TYR H H 60 8.182 8.798 -0.616 1
1 193 . 15 1 1 A 26 26 TYR HA H 60 4.883 5.159 -0.276 1
1 198 . 15 1 1 A 26 26 TYR C C 60 173.593 175.124 -1.531 1
1 199 . 15 1 1 A 26 26 TYR CA C 60 54.043 56.456 -2.413 1
1 200 . 15 1 1 A 26 26 TYR CB C 60 40.100 41.345 -1.245 1
1 202 . 15 1 1 A 26 26 TYR N N 60 121.985 119.922 2.063 1
1 203 . 15 1 1 A 27 27 LYS H H 61 8.385 8.364 0.021 1
1 204 . 15 1 1 A 27 27 LYS HA H 61 4.563 4.976 -0.413 1
1 205 . 15 1 1 A 27 27 LYS C C 61 174.186 175.262 -1.076 1
1 206 . 15 1 1 A 27 27 LYS CA C 61 54.589 54.248 0.341 1
1 207 . 15 1 1 A 27 27 LYS CB C 61 35.801 36.614 -0.813 1
1 208 . 15 1 1 A 27 27 LYS N N 61 120.203 120.237 -0.034 1
1 209 . 15 1 1 A 28 28 TRP H H 62 8.524 8.572 -0.048 1
1 210 . 15 1 1 A 28 28 TRP HA H 62 5.361 5.600 -0.239 1
1 215 . 15 1 1 A 28 28 TRP C C 62 176.934 175.800 1.134 1
1 216 . 15 1 1 A 28 28 TRP CA C 62 56.499 55.333 1.166 1
1 217 . 15 1 1 A 28 28 TRP CB C 62 29.300 32.445 -3.145 1
1 218 . 15 1 1 A 28 28 TRP N N 62 122.913 120.827 2.086 1
1 220 . 15 1 1 A 29 29 VAL H H 63 9.470 8.665 0.805 1
1 221 . 15 1 1 A 29 29 VAL HA H 63 4.626 4.985 -0.359 1
1 229 . 15 1 1 A 29 29 VAL C C 63 175.264 173.519 1.745 1
1 230 . 15 1 1 A 29 29 VAL CA C 63 59.163 59.378 -0.215 1
1 231 . 15 1 1 A 29 29 VAL CB C 63 34.759 36.116 -1.357 1
1 234 . 15 1 1 A 29 29 VAL N N 63 120.454 116.932 3.522 1
1 235 . 15 1 1 A 30 30 ASP H H 64 8.576 8.795 -0.219 1
1 236 . 15 1 1 A 30 30 ASP HA H 64 4.386 4.932 -0.546 1
1 237 . 15 1 1 A 30 30 ASP C C 64 174.186 175.237 -1.051 1
1 238 . 15 1 1 A 30 30 ASP CA C 64 55.907 53.272 2.635 1
1 239 . 15 1 1 A 30 30 ASP CB C 64 39.942 42.602 -2.660 1
1 240 . 15 1 1 A 30 30 ASP N N 64 123.588 124.310 -0.722 1
1 241 . 15 1 1 A 31 31 GLU H H 65 9.482 8.746 0.736 1
1 242 . 15 1 1 A 31 31 GLU HA H 65 4.674 4.523 0.151 1
1 246 . 15 1 1 A 31 31 GLU C C 65 176.000 176.859 -0.859 1
1 247 . 15 1 1 A 31 31 GLU CA C 65 57.263 58.238 -0.975 1
1 248 . 15 1 1 A 31 31 GLU CB C 65 30.200 30.585 -0.385 1
1 250 . 15 1 1 A 31 31 GLU N N 65 124.008 123.529 0.479 1
1 251 . 15 1 1 A 32 32 PHE H H 66 7.257 7.047 0.210 1
1 252 . 15 1 1 A 32 32 PHE HA H 66 4.940 5.094 -0.154 1
1 254 . 15 1 1 A 32 32 PHE C C 66 172.742 172.303 0.439 1
1 255 . 15 1 1 A 32 32 PHE CA C 66 56.316 56.388 -0.072 1
1 256 . 15 1 1 A 32 32 PHE CB C 66 38.948 40.813 -1.865 1
1 257 . 15 1 1 A 32 32 PHE N N 66 110.866 114.437 -3.571 1
1 258 . 15 1 1 A 33 33 THR H H 67 8.603 8.963 -0.360 1
1 259 . 15 1 1 A 33 33 THR HA H 67 5.377 5.766 -0.389 1
1 262 . 15 1 1 A 33 33 THR C C 67 173.388 172.501 0.887 1
1 263 . 15 1 1 A 33 33 THR CA C 67 60.207 60.089 0.118 1
1 264 . 15 1 1 A 33 33 THR CB C 67 71.620 71.608 0.012 1
1 266 . 15 1 1 A 33 33 THR N N 67 114.847 115.156 -0.309 1
1 267 . 15 1 1 A 34 34 ALA H H 68 9.185 8.944 0.241 1
1 268 . 15 1 1 A 34 34 ALA HA H 68 4.873 4.883 -0.010 1
1 272 . 15 1 1 A 34 34 ALA C C 68 174.999 175.897 -0.898 1
1 273 . 15 1 1 A 34 34 ALA CA C 68 50.660 51.498 -0.838 1
1 274 . 15 1 1 A 34 34 ALA CB C 68 23.911 23.506 0.405 1
1 275 . 15 1 1 A 34 34 ALA N N 68 125.817 129.345 -3.528 1
1 276 . 15 1 1 A 35 35 ALA H H 69 8.347 8.474 -0.127 1
1 277 . 15 1 1 A 35 35 ALA HA H 69 4.889 5.162 -0.273 1
1 281 . 15 1 1 A 35 35 ALA C C 69 176.937 177.043 -0.106 1
1 282 . 15 1 1 A 35 35 ALA CA C 69 51.329 51.645 -0.316 1
1 283 . 15 1 1 A 35 35 ALA CB C 69 19.210 20.005 -0.795 1
1 284 . 15 1 1 A 35 35 ALA N N 69 122.342 122.390 -0.048 1
1 285 . 15 1 1 A 36 36 ALA H H 70 8.468 8.771 -0.303 1
1 286 . 15 1 1 A 36 36 ALA HA H 70 4.996 4.979 0.017 1
1 290 . 15 1 1 A 36 36 ALA C C 70 175.102 175.169 -0.067 1
1 291 . 15 1 1 A 36 36 ALA CA C 70 50.876 51.690 -0.814 1
1 292 . 15 1 1 A 36 36 ALA CB C 70 23.556 23.551 0.005 1
1 293 . 15 1 1 A 36 36 ALA N N 70 120.267 125.469 -5.202 1
1 294 . 15 1 1 A 37 37 HIS H H 71 9.136 8.497 0.639 1
1 295 . 15 1 1 A 37 37 HIS HA H 71 5.343 5.271 0.072 1
1 298 . 15 1 1 A 37 37 HIS C C 71 174.002 173.109 0.893 1
1 299 . 15 1 1 A 37 37 HIS CA C 71 54.803 53.280 1.523 1
1 300 . 15 1 1 A 37 37 HIS CB C 71 32.322 31.965 0.357 1
1 301 . 15 1 1 A 37 37 HIS N N 71 119.360 119.221 0.139 1
1 302 . 15 1 1 A 38 38 VAL H H 72 8.557 8.410 0.147 1
1 303 . 15 1 1 A 38 38 VAL HA H 72 4.174 4.001 0.173 1
1 311 . 15 1 1 A 38 38 VAL C C 72 174.000 173.481 0.519 1
1 312 . 15 1 1 A 38 38 VAL CA C 72 61.587 60.852 0.735 1
1 313 . 15 1 1 A 38 38 VAL CB C 72 31.381 32.246 -0.865 1
1 316 . 15 1 1 A 38 38 VAL N N 72 127.947 127.339 0.608 1
1 317 . 15 1 1 A 39 39 GLN H H 73 8.971 7.613 1.358 1
1 318 . 15 1 1 A 39 39 GLN HA H 73 5.019 4.258 0.761 1
1 321 . 15 1 1 A 39 39 GLN C C 73 173.260 172.460 0.800 1
1 322 . 15 1 1 A 39 39 GLN CA C 73 51.310 51.957 -0.647 1
1 323 . 15 1 1 A 39 39 GLN CB C 73 30.955 31.182 -0.227 1
1 324 . 15 1 1 A 39 39 GLN N N 73 127.985 123.102 4.883 1
1 325 . 15 1 1 A 40 40 PRO HA H 74 4.707 4.630 0.077 1
1 329 . 15 1 1 A 40 40 PRO C C 74 3.820 176.842 -173.022 1
1 330 . 15 1 1 A 40 40 PRO CA C 74 176.828 62.515 114.313 1
1 331 . 15 1 1 A 40 40 PRO CB C 74 62.215 32.559 29.656 1
1 333 . 15 1 1 A 40 40 PRO N N 74 50.800 134.661 -83.861 1
1 334 . 15 1 1 A 41 41 ILE H H 75 8.105 8.788 -0.683 1
1 335 . 15 1 1 A 41 41 ILE HA H 75 4.074 4.407 -0.333 1
1 338 . 15 1 1 A 41 41 ILE C C 75 175.881 175.236 0.645 1
1 339 . 15 1 1 A 41 41 ILE CA C 75 61.399 60.729 0.670 1
1 340 . 15 1 1 A 41 41 ILE CB C 75 38.214 37.259 0.955 1
1 342 . 15 1 1 A 41 41 ILE N N 75 122.818 121.239 1.579 1
1 343 . 15 1 1 A 43 43 GLN HA H 77 4.267 4.582 -0.315 1
1 344 . 15 1 1 A 43 43 GLN C C 77 176.255 176.026 0.229 1
1 345 . 15 1 1 A 43 43 GLN CA C 77 56.500 55.309 1.191 1
1 346 . 15 1 1 A 43 43 GLN CB C 77 29.100 29.363 -0.263 1
1 347 . 15 1 1 A 44 44 GLU H H 78 8.458 8.302 0.156 1
1 348 . 15 1 1 A 44 44 GLU HA H 78 4.184 4.581 -0.397 1
1 351 . 15 1 1 A 44 44 GLU C C 78 177.000 176.483 0.517 1
1 352 . 15 1 1 A 44 44 GLU CA C 78 57.400 56.391 1.009 1
1 353 . 15 1 1 A 44 44 GLU CB C 78 29.148 30.165 -1.017 1
1 355 . 15 1 1 A 44 44 GLU N N 78 120.627 122.067 -1.440 1
1 356 . 15 1 1 A 45 45 GLU H H 79 8.283 7.622 0.661 1
1 357 . 15 1 1 A 45 45 GLU HA H 79 4.121 4.649 -0.528 1
1 360 . 15 1 1 A 45 45 GLU C C 79 176.972 176.341 0.631 1
1 361 . 15 1 1 A 45 45 GLU CA C 79 57.106 54.862 2.244 1
1 362 . 15 1 1 A 45 45 GLU CB C 79 29.680 27.774 1.906 1
1 364 . 15 1 1 A 45 45 GLU N N 79 119.997 120.528 -0.531 1
1 365 . 15 1 1 A 46 46 TYR H H 80 7.961 8.585 -0.624 1
1 366 . 15 1 1 A 46 46 TYR HA H 80 4.369 4.556 -0.187 1
1 369 . 15 1 1 A 46 46 TYR C C 80 176.086 175.748 0.338 1
1 370 . 15 1 1 A 46 46 TYR CA C 80 58.284 58.183 0.101 1
1 371 . 15 1 1 A 46 46 TYR CB C 80 38.214 38.830 -0.616 1
1 372 . 15 1 1 A 46 46 TYR N N 80 119.582 122.739 -3.157 1
1 373 . 15 1 1 A 47 47 TYR H H 81 7.918 8.057 -0.139 1
1 374 . 15 1 1 A 47 47 TYR HA H 81 4.399 4.608 -0.209 1
1 378 . 15 1 1 A 47 47 TYR C C 81 176.566 176.409 0.157 1
1 379 . 15 1 1 A 47 47 TYR CA C 81 58.479 58.730 -0.251 1
1 380 . 15 1 1 A 47 47 TYR CB C 81 38.042 38.967 -0.925 1
1 381 . 15 1 1 A 47 47 TYR N N 81 119.336 119.547 -0.211 1
1 382 . 15 1 1 A 48 48 LYS HA H 82 4.090 4.233 -0.143 1
1 383 . 15 1 1 A 48 48 LYS C C 82 176.894 178.224 -1.330 1
1 384 . 15 1 1 A 48 48 LYS CA C 82 56.786 57.955 -1.169 1
1 385 . 15 1 1 A 48 48 LYS CB C 82 32.306 32.500 -0.194 1
1 386 . 15 1 1 A 49 49 ALA H H 83 7.999 7.566 0.433 1
1 387 . 15 1 1 A 49 49 ALA HA H 83 4.178 4.220 -0.042 1
1 391 . 15 1 1 A 49 49 ALA C C 83 178.193 176.163 2.030 1
1 392 . 15 1 1 A 49 49 ALA CA C 83 52.825 52.938 -0.113 1
1 393 . 15 1 1 A 49 49 ALA CB C 83 18.200 18.303 -0.103 1
1 394 . 15 1 1 A 49 49 ALA N N 83 122.394 120.345 2.049 1
1 395 . 15 1 1 A 50 50 GLN H H 84 8.006 7.647 0.359 1
1 396 . 15 1 1 A 50 50 GLN HA H 84 4.167 4.913 -0.746 1
1 400 . 15 1 1 A 50 50 GLN C C 84 176.200 174.306 1.894 1
1 401 . 15 1 1 A 50 50 GLN CA C 84 56.016 54.913 1.103 1
1 402 . 15 1 1 A 50 50 GLN CB C 84 28.467 33.323 -4.856 1
1 404 . 15 1 1 A 50 50 GLN N N 84 116.623 115.472 1.151 1
1 405 . 15 1 1 A 51 51 GLN H H 85 8.085 8.834 -0.749 1
1 406 . 15 1 1 A 51 51 GLN HA H 85 4.223 4.742 -0.519 1
1 410 . 15 1 1 A 51 51 GLN CA C 85 56.393 54.754 1.639 1
1 411 . 15 1 1 A 51 51 GLN CB C 85 28.600 28.712 -0.112 1
1 413 . 15 1 1 A 51 51 GLN N N 85 118.681 124.029 -5.348 1
1 414 . 15 1 1 A 53 53 GLN HA H 87 4.268 4.149 0.119 1
1 415 . 15 1 1 A 53 53 GLN C C 87 175.517 175.950 -0.433 1
1 416 . 15 1 1 A 53 53 GLN CA C 87 55.821 58.372 -2.551 1
1 417 . 15 1 1 A 53 53 GLN CB C 87 28.296 29.445 -1.149 1
1 418 . 15 1 1 A 54 54 THR H H 88 7.950 7.663 0.287 1
1 419 . 15 1 1 A 54 54 THR HA H 88 4.540 4.579 -0.039 1
1 422 . 15 1 1 A 54 54 THR C C 88 172.445 173.402 -0.957 1
1 423 . 15 1 1 A 54 54 THR CA C 88 59.184 59.160 0.024 1
1 424 . 15 1 1 A 54 54 THR CB C 88 69.534 69.720 -0.186 1
1 426 . 15 1 1 A 54 54 THR N N 88 116.337 109.250 7.087 1
1 427 . 15 1 1 A 55 55 PRO HA H 89 4.410 4.685 -0.275 1
1 431 . 15 1 1 A 55 55 PRO C C 89 3.600 175.859 -172.259 1
1 432 . 15 1 1 A 55 55 PRO CA C 89 176.508 62.476 114.032 1
1 433 . 15 1 1 A 55 55 PRO CB C 89 62.325 32.890 29.435 1
1 436 . 15 1 1 A 55 55 PRO N N 89 50.400 140.863 -90.463 1
1 437 . 15 1 1 A 56 56 ILE H H 90 8.247 8.399 -0.152 1
1 438 . 15 1 1 A 56 56 ILE HA H 90 3.993 4.578 -0.585 1
1 443 . 15 1 1 A 56 56 ILE C C 90 175.132 175.252 -0.120 1
1 444 . 15 1 1 A 56 56 ILE CA C 90 60.718 60.145 0.573 1
1 445 . 15 1 1 A 56 56 ILE CB C 90 38.277 37.683 0.594 1
1 447 . 15 1 1 A 56 56 ILE N N 90 121.921 116.026 5.895 1
1 448 . 15 1 1 A 57 57 GLY H H 91 7.820 7.569 0.251 1
1 449 . 15 1 1 A 57 57 GLY HA2 H 91 4.550 4.098 0.452 1
1 450 . 15 1 1 A 57 57 GLY HA3 H 91 3.640 4.128 -0.488 1
1 451 . 15 1 1 A 57 57 GLY C C 91 172.184 171.356 0.828 1
1 452 . 15 1 1 A 57 57 GLY CA C 91 43.575 45.822 -2.247 1
1 453 . 15 1 1 A 57 57 GLY N N 91 110.987 111.128 -0.141 1
1 454 . 15 1 1 A 58 58 TYR H H 92 8.593 8.821 -0.228 1
1 455 . 15 1 1 A 58 58 TYR HA H 92 5.166 5.275 -0.109 1
1 460 . 15 1 1 A 58 58 TYR C C 92 175.122 173.891 1.231 1
1 461 . 15 1 1 A 58 58 TYR CA C 92 56.544 56.544 0.000 1
1 462 . 15 1 1 A 58 58 TYR CB C 92 43.819 42.444 1.375 1
1 465 . 15 1 1 A 58 58 TYR N N 92 116.307 120.940 -4.633 1
1 466 . 15 1 1 A 59 59 ASN H H 93 8.964 9.009 -0.045 1
1 467 . 15 1 1 A 59 59 ASN HA H 93 5.116 5.488 -0.372 1
1 470 . 15 1 1 A 59 59 ASN C C 93 173.457 173.098 0.359 1
1 471 . 15 1 1 A 59 59 ASN CA C 93 52.717 51.582 1.135 1
1 472 . 15 1 1 A 59 59 ASN CB C 93 40.420 41.186 -0.766 1
1 473 . 15 1 1 A 59 59 ASN N N 93 119.232 117.910 1.322 1
1 474 . 15 1 1 A 60 60 ILE H H 94 9.013 8.590 0.423 1
1 475 . 15 1 1 A 60 60 ILE HA H 94 4.383 4.623 -0.240 1
1 476 . 15 1 1 A 60 60 ILE C C 94 173.370 173.328 0.042 1
1 477 . 15 1 1 A 60 60 ILE CA C 94 60.231 59.468 0.763 1
1 478 . 15 1 1 A 60 60 ILE CB C 94 38.728 41.453 -2.725 1
1 479 . 15 1 1 A 60 60 ILE N N 94 123.021 123.274 -0.253 1
1 480 . 15 1 1 A 61 61 TYR H H 95 8.867 8.316 0.551 1
1 481 . 15 1 1 A 61 61 TYR HA H 95 5.279 5.950 -0.671 1
1 486 . 15 1 1 A 61 61 TYR C C 95 174.262 173.252 1.010 1
1 487 . 15 1 1 A 61 61 TYR CA C 95 55.732 55.252 0.480 1
1 488 . 15 1 1 A 61 61 TYR CB C 95 39.723 42.298 -2.575 1
1 491 . 15 1 1 A 61 61 TYR N N 95 125.343 124.005 1.338 1
1 492 . 15 1 1 A 62 62 THR H H 96 8.998 8.763 0.235 1
1 493 . 15 1 1 A 62 62 THR HA H 96 4.889 4.989 -0.100 1
1 496 . 15 1 1 A 62 62 THR C C 96 172.708 171.576 1.132 1
1 497 . 15 1 1 A 62 62 THR CA C 96 58.248 58.289 -0.041 1
1 498 . 15 1 1 A 62 62 THR CB C 96 73.097 72.646 0.451 1
1 500 . 15 1 1 A 62 62 THR N N 96 119.223 115.448 3.775 1
1 501 . 15 1 1 A 63 63 PRO HA H 97 4.410 4.804 -0.394 1
1 503 . 15 1 1 A 63 63 PRO C C 97 3.190 177.362 -174.172 1
1 504 . 15 1 1 A 63 63 PRO CA C 97 175.250 63.159 112.091 1
1 505 . 15 1 1 A 63 63 PRO CB C 97 63.642 31.603 32.039 1
1 507 . 15 1 1 A 63 63 PRO N N 97 51.700 139.011 -87.311 1
1 508 . 15 1 1 A 64 64 TYR H H 98 7.826 8.869 -1.043 1
1 509 . 15 1 1 A 64 64 TYR HA H 98 4.265 4.092 0.173 1
1 514 . 15 1 1 A 64 64 TYR C C 98 175.150 174.321 0.829 1
1 515 . 15 1 1 A 64 64 TYR CA C 98 59.434 58.962 0.472 1
1 516 . 15 1 1 A 64 64 TYR CB C 98 37.240 37.089 0.151 1
1 518 . 15 1 1 A 64 64 TYR N N 98 122.118 123.103 -0.985 1
1 519 . 15 1 1 A 65 65 ASP H H 99 5.931 7.864 -1.933 1
1 520 . 15 1 1 A 65 65 ASP HA H 99 4.255 4.997 -0.742 1
1 523 . 15 1 1 A 65 65 ASP C C 99 176.079 175.259 0.820 1
1 524 . 15 1 1 A 65 65 ASP CA C 99 52.885 53.449 -0.564 1
1 525 . 15 1 1 A 65 65 ASP CB C 99 43.486 42.660 0.826 1
1 526 . 15 1 1 A 65 65 ASP N N 99 125.409 119.722 5.687 1
1 527 . 15 1 1 A 66 66 ASP H H 100 8.703 8.578 0.125 1
1 528 . 15 1 1 A 66 66 ASP HA H 100 4.058 4.772 -0.714 1
1 531 . 15 1 1 A 66 66 ASP C C 100 176.300 176.157 0.143 1
1 532 . 15 1 1 A 66 66 ASP CA C 100 55.332 52.270 3.062 1
1 533 . 15 1 1 A 66 66 ASP CB C 100 40.206 40.435 -0.229 1
1 534 . 15 1 1 A 66 66 ASP N N 100 128.295 122.066 6.229 1
1 535 . 15 1 1 A 67 67 ARG H H 101 8.832 7.993 0.839 1
1 536 . 15 1 1 A 67 67 ARG HA H 101 3.944 3.750 0.194 1
1 538 . 15 1 1 A 67 67 ARG C C 101 177.624 176.603 1.021 1
1 539 . 15 1 1 A 67 67 ARG CA C 101 56.509 58.078 -1.569 1
1 540 . 15 1 1 A 67 67 ARG CB C 101 31.162 30.300 0.862 1
1 541 . 15 1 1 A 67 67 ARG N N 101 117.507 124.902 -7.395 1
1 542 . 15 1 1 A 68 68 ILE H H 102 7.004 7.650 -0.646 1
1 543 . 15 1 1 A 68 68 ILE HA H 102 3.507 4.641 -1.134 1
1 548 . 15 1 1 A 68 68 ILE C C 102 174.835 175.711 -0.876 1
1 549 . 15 1 1 A 68 68 ILE CA C 102 63.638 60.814 2.824 1
1 550 . 15 1 1 A 68 68 ILE CB C 102 36.617 39.261 -2.644 1
1 552 . 15 1 1 A 68 68 ILE N N 102 116.003 116.490 -0.487 1
1 553 . 15 1 1 A 69 69 ASP H H 103 8.026 9.109 -1.083 1
1 554 . 15 1 1 A 69 69 ASP HA H 103 4.954 5.259 -0.305 1
1 557 . 15 1 1 A 69 69 ASP C C 103 175.574 174.275 1.299 1
1 558 . 15 1 1 A 69 69 ASP CA C 103 52.485 52.346 0.139 1
1 559 . 15 1 1 A 69 69 ASP CB C 103 45.984 45.382 0.602 1
1 560 . 15 1 1 A 69 69 ASP N N 103 129.672 124.030 5.642 1
1 561 . 15 1 1 A 70 70 LYS H H 104 8.505 8.409 0.096 1
1 562 . 15 1 1 A 70 70 LYS C C 104 175.300 175.936 -0.636 1
1 563 . 15 1 1 A 70 70 LYS CA C 104 58.027 55.582 2.445 1
1 564 . 15 1 1 A 70 70 LYS CB C 104 31.376 33.860 -2.484 1
1 565 . 15 1 1 A 70 70 LYS N N 104 119.646 118.791 0.855 1
1 566 . 15 1 1 A 71 71 LYS H H 105 8.653 8.742 -0.089 1
1 567 . 15 1 1 A 71 71 LYS HA H 105 4.513 3.821 0.692 1
1 571 . 15 1 1 A 71 71 LYS C C 105 178.190 174.832 3.358 1
1 572 . 15 1 1 A 71 71 LYS CA C 105 56.415 56.960 -0.545 1
1 573 . 15 1 1 A 71 71 LYS CB C 105 30.942 29.618 1.324 1
1 575 . 15 1 1 A 71 71 LYS N N 105 118.554 117.528 1.026 1
1 576 . 15 1 1 A 72 72 MET H H 106 7.596 7.467 0.129 1
1 577 . 15 1 1 A 72 72 MET HA H 106 5.019 4.980 0.039 1
1 578 . 15 1 1 A 72 72 MET C C 106 172.309 173.954 -1.645 1
1 579 . 15 1 1 A 72 72 MET CA C 106 56.500 53.897 2.603 1
1 580 . 15 1 1 A 72 72 MET CB C 106 34.892 34.953 -0.061 1
1 581 . 15 1 1 A 72 72 MET N N 106 119.949 116.919 3.030 1
1 582 . 15 1 1 A 73 73 ARG H H 107 8.266 8.634 -0.368 1
1 583 . 15 1 1 A 73 73 ARG HA H 107 4.075 5.413 -1.338 1
1 585 . 15 1 1 A 73 73 ARG C C 107 172.995 174.660 -1.665 1
1 586 . 15 1 1 A 73 73 ARG CA C 107 53.348 54.771 -1.423 1
1 587 . 15 1 1 A 73 73 ARG CB C 107 31.579 33.630 -2.051 1
1 588 . 15 1 1 A 73 73 ARG N N 107 112.423 123.609 -11.186 1
1 589 . 15 1 1 A 74 74 VAL H H 108 8.371 8.874 -0.503 1
1 590 . 15 1 1 A 74 74 VAL HA H 108 4.954 4.821 0.133 1
1 598 . 15 1 1 A 74 74 VAL C C 108 173.137 174.737 -1.600 1
1 599 . 15 1 1 A 74 74 VAL CA C 108 58.400 60.622 -2.222 1
1 600 . 15 1 1 A 74 74 VAL CB C 108 35.700 35.739 -0.039 1
1 603 . 15 1 1 A 74 74 VAL N N 108 117.751 125.874 -8.123 1
1 604 . 15 1 1 A 75 75 ILE H H 109 8.644 9.027 -0.383 1
1 605 . 15 1 1 A 75 75 ILE HA H 109 4.772 4.920 -0.148 1
1 610 . 15 1 1 A 75 75 ILE C C 109 176.377 173.975 2.402 1
1 611 . 15 1 1 A 75 75 ILE CA C 109 57.500 60.039 -2.539 1
1 612 . 15 1 1 A 75 75 ILE CB C 109 35.550 38.361 -2.811 1
1 614 . 15 1 1 A 75 75 ILE N N 109 122.741 127.148 -4.407 1
1 615 . 15 1 1 A 76 76 TYR H H 110 8.928 8.670 0.258 1
1 616 . 15 1 1 A 76 76 TYR HA H 110 4.873 4.810 0.063 1
1 621 . 15 1 1 A 76 76 TYR C C 110 173.400 175.504 -2.104 1
1 622 . 15 1 1 A 76 76 TYR CA C 110 54.699 57.052 -2.353 1
1 623 . 15 1 1 A 76 76 TYR CB C 110 40.392 38.920 1.472 1
1 626 . 15 1 1 A 76 76 TYR N N 110 129.091 129.465 -0.374 1
1 627 . 15 1 1 A 77 77 ARG H H 111 9.206 9.070 0.136 1
1 628 . 15 1 1 A 77 77 ARG HA H 111 3.537 3.903 -0.366 1
1 633 . 15 1 1 A 77 77 ARG C C 111 176.065 175.188 0.877 1
1 634 . 15 1 1 A 77 77 ARG CA C 111 56.490 56.999 -0.509 1
1 635 . 15 1 1 A 77 77 ARG CB C 111 27.448 29.122 -1.674 1
1 636 . 15 1 1 A 77 77 ARG N N 111 126.774 127.374 -0.600 1
1 637 . 15 1 1 A 78 78 GLY H H 112 8.155 8.382 -0.227 1
1 638 . 15 1 1 A 78 78 GLY HA2 H 112 4.040 3.854 0.186 1
1 639 . 15 1 1 A 78 78 GLY HA3 H 112 3.540 3.856 -0.316 1
1 640 . 15 1 1 A 78 78 GLY C C 112 173.810 173.796 0.014 1
1 641 . 15 1 1 A 78 78 GLY CA C 112 45.284 45.246 0.038 1
1 642 . 15 1 1 A 78 78 GLY N N 112 102.172 105.302 -3.130 1
1 643 . 15 1 1 A 79 79 LYS HA H 113 3.910 4.392 -0.482 1
1 644 . 15 1 1 A 79 79 LYS C C 113 174.750 175.624 -0.874 1
1 645 . 15 1 1 A 79 79 LYS CA C 113 53.808 55.491 -1.683 1
1 646 . 15 1 1 A 79 79 LYS CB C 113 33.298 32.872 0.426 1
1 647 . 15 1 1 A 80 80 ILE H H 114 8.484 8.781 -0.297 1
1 648 . 15 1 1 A 80 80 ILE HA H 114 3.860 4.510 -0.650 1
1 653 . 15 1 1 A 80 80 ILE C C 114 174.732 174.988 -0.256 1
1 654 . 15 1 1 A 80 80 ILE CA C 114 61.130 60.002 1.128 1
1 655 . 15 1 1 A 80 80 ILE CB C 114 37.740 37.419 0.321 1
1 657 . 15 1 1 A 80 80 ILE N N 114 121.186 125.056 -3.870 1
1 658 . 15 1 1 A 81 81 VAL H H 115 9.395 8.693 0.702 1
1 659 . 15 1 1 A 81 81 VAL HA H 115 4.645 4.808 -0.163 1
1 664 . 15 1 1 A 81 81 VAL C C 115 174.934 175.431 -0.497 1
1 665 . 15 1 1 A 81 81 VAL CA C 115 60.401 60.739 -0.338 1
1 666 . 15 1 1 A 81 81 VAL CB C 115 32.142 35.539 -3.397 1
1 668 . 15 1 1 A 81 81 VAL N N 115 129.212 128.090 1.122 1
1 669 . 15 1 1 A 82 82 THR H H 116 8.661 8.750 -0.089 1
1 670 . 15 1 1 A 82 82 THR HA H 116 4.483 5.382 -0.899 1
1 673 . 15 1 1 A 82 82 THR C C 116 175.000 173.978 1.022 1
1 674 . 15 1 1 A 82 82 THR CA C 116 59.911 59.446 0.465 1
1 675 . 15 1 1 A 82 82 THR CB C 116 69.844 71.322 -1.478 1
1 677 . 15 1 1 A 82 82 THR N N 116 120.129 116.914 3.215 1
1 678 . 15 1 1 A 83 83 PHE H H 117 9.153 8.901 0.252 1
1 679 . 15 1 1 A 83 83 PHE HA H 117 5.003 5.424 -0.421 1
1 681 . 15 1 1 A 83 83 PHE C C 117 177.126 173.218 3.908 1
1 682 . 15 1 1 A 83 83 PHE CA C 117 55.003 55.775 -0.772 1
1 683 . 15 1 1 A 83 83 PHE CB C 117 37.018 42.269 -5.251 1
1 684 . 15 1 1 A 83 83 PHE N N 117 123.251 117.735 5.516 1
1 685 . 15 1 1 A 84 84 ILE H H 118 8.882 8.860 0.022 1
1 686 . 15 1 1 A 84 84 ILE HA H 118 4.320 4.973 -0.653 1
1 695 . 15 1 1 A 84 84 ILE C C 118 175.958 174.497 1.461 1
1 696 . 15 1 1 A 84 84 ILE CA C 118 60.275 59.755 0.520 1
1 697 . 15 1 1 A 84 84 ILE CB C 118 37.057 40.292 -3.235 1
1 700 . 15 1 1 A 84 84 ILE N N 118 122.450 117.752 4.698 1
1 701 . 15 1 1 A 85 85 GLY H H 119 8.198 8.681 -0.483 1
1 702 . 15 1 1 A 85 85 GLY HA2 H 119 4.050 4.471 -0.421 1
1 703 . 15 1 1 A 85 85 GLY HA3 H 119 3.900 4.541 -0.641 1
1 704 . 15 1 1 A 85 85 GLY C C 119 172.376 171.589 0.787 1
1 705 . 15 1 1 A 85 85 GLY CA C 119 44.033 44.942 -0.909 1
1 706 . 15 1 1 A 85 85 GLY N N 119 112.995 112.433 0.562 1
1 707 . 15 1 1 A 86 86 ASP H H 120 8.132 8.843 -0.711 1
1 708 . 15 1 1 A 86 86 ASP HA H 120 4.938 5.179 -0.241 1
1 711 . 15 1 1 A 86 86 ASP C C 120 175.418 174.172 1.246 1
1 712 . 15 1 1 A 86 86 ASP CA C 120 52.656 50.873 1.783 1
1 713 . 15 1 1 A 86 86 ASP CB C 120 40.163 42.286 -2.123 1
1 714 . 15 1 1 A 86 86 ASP N N 120 119.130 121.266 -2.136 1
1 715 . 15 1 1 A 87 87 PRO HA H 121 4.470 4.851 -0.381 1
1 719 . 15 1 1 A 87 87 PRO CA C 121 175.750 62.370 113.380 1
1 720 . 15 1 1 A 87 87 PRO CB C 121 62.414 32.372 30.042 1
1 723 . 15 1 1 A 87 87 PRO N N 121 49.700 137.859 -88.159 1
1 724 . 15 1 1 A 88 88 VAL H H 122 8.707 8.963 -0.256 1
1 725 . 15 1 1 A 88 88 VAL HA H 122 4.400 4.784 -0.384 1
1 733 . 15 1 1 A 88 88 VAL C C 122 174.250 174.713 -0.463 1
1 734 . 15 1 1 A 88 88 VAL CA C 122 60.598 60.517 0.081 1
1 735 . 15 1 1 A 88 88 VAL CB C 122 34.847 35.799 -0.952 1
1 738 . 15 1 1 A 88 88 VAL N N 122 121.987 120.684 1.303 1
1 739 . 15 1 1 A 89 89 ASP H H 123 8.437 8.575 -0.138 1
1 740 . 15 1 1 A 89 89 ASP HA H 123 5.068 5.363 -0.295 1
1 743 . 15 1 1 A 89 89 ASP C C 123 177.435 176.477 0.958 1
1 744 . 15 1 1 A 89 89 ASP CA C 123 52.751 52.656 0.095 1
1 745 . 15 1 1 A 89 89 ASP CB C 123 40.191 41.995 -1.804 1
1 746 . 15 1 1 A 89 89 ASP N N 123 125.856 124.930 0.926 1
1 747 . 15 1 1 A 90 90 LEU H H 124 8.793 9.027 -0.234 1
1 748 . 15 1 1 A 90 90 LEU HA H 124 4.047 4.431 -0.384 1
1 749 . 15 1 1 A 90 90 LEU CA C 124 56.836 55.795 1.041 1
1 750 . 15 1 1 A 90 90 LEU CB C 124 41.301 42.583 -1.282 1
1 751 . 15 1 1 A 90 90 LEU N N 124 128.178 124.860 3.318 1
1 752 . 15 1 1 A 91 91 SER H H 125 8.927 7.735 1.192 1
1 753 . 15 1 1 A 91 91 SER HA H 125 4.287 4.650 -0.363 1
1 754 . 15 1 1 A 91 91 SER C C 125 173.984 172.679 1.305 1
1 755 . 15 1 1 A 91 91 SER CA C 125 58.498 56.662 1.836 1
1 756 . 15 1 1 A 91 91 SER CB C 125 63.600 64.415 -0.815 1
1 757 . 15 1 1 A 91 91 SER N N 125 115.226 111.650 3.576 1
1 758 . 15 1 1 A 92 92 GLY H H 126 8.250 8.332 -0.082 1
1 759 . 15 1 1 A 92 92 GLY HA2 H 126 3.950 4.222 -0.272 1
1 760 . 15 1 1 A 92 92 GLY HA3 H 126 3.670 4.251 -0.581 1
1 761 . 15 1 1 A 92 92 GLY C C 126 174.700 174.573 0.127 1
1 762 . 15 1 1 A 92 92 GLY CA C 126 45.900 46.095 -0.195 1
1 763 . 15 1 1 A 92 92 GLY N N 126 109.395 109.665 -0.270 1
1 764 . 15 1 1 A 94 94 GLN C C 128 174.459 174.651 -0.192 1
1 765 . 15 1 1 A 94 94 GLN CA C 128 56.434 56.348 0.086 1
1 766 . 15 1 1 A 94 94 GLN CB C 128 25.491 27.067 -1.576 1
1 767 . 15 1 1 A 95 95 GLU H H 129 8.474 7.535 0.939 1
1 768 . 15 1 1 A 95 95 GLU HA H 129 4.596 4.671 -0.075 1
1 772 . 15 1 1 A 95 95 GLU C C 129 177.559 175.434 2.125 1
1 773 . 15 1 1 A 95 95 GLU CA C 129 57.183 56.349 0.834 1
1 774 . 15 1 1 A 95 95 GLU CB C 129 31.432 30.833 0.599 1
1 775 . 15 1 1 A 95 95 GLU N N 129 115.145 117.225 -2.080 1
1 776 . 15 1 1 A 96 96 ILE H H 130 9.393 8.086 1.307 1
1 777 . 15 1 1 A 96 96 ILE HA H 130 4.660 4.940 -0.280 1
1 782 . 15 1 1 A 96 96 ILE C C 130 173.821 175.417 -1.596 1
1 783 . 15 1 1 A 96 96 ILE CA C 130 59.481 60.115 -0.634 1
1 784 . 15 1 1 A 96 96 ILE CB C 130 41.386 40.576 0.810 1
1 785 . 15 1 1 A 96 96 ILE N N 130 124.603 120.214 4.389 1
1 786 . 15 1 1 A 97 97 THR H H 131 9.341 8.839 0.502 1
1 787 . 15 1 1 A 97 97 THR HA H 131 5.135 5.305 -0.170 1
1 790 . 15 1 1 A 97 97 THR C C 131 172.742 173.143 -0.401 1
1 791 . 15 1 1 A 97 97 THR CA C 131 62.458 60.639 1.819 1
1 792 . 15 1 1 A 97 97 THR CB C 131 69.995 70.410 -0.415 1
1 794 . 15 1 1 A 97 97 THR N N 131 125.280 118.918 6.362 1
1 795 . 15 1 1 A 98 98 ARG H H 132 9.286 9.032 0.254 1
1 796 . 15 1 1 A 98 98 ARG HA H 132 5.263 5.309 -0.046 1
1 802 . 15 1 1 A 98 98 ARG C C 132 175.462 173.913 1.549 1
1 803 . 15 1 1 A 98 98 ARG CA C 132 53.122 54.377 -1.255 1
1 804 . 15 1 1 A 98 98 ARG CB C 132 32.555 34.173 -1.618 1
1 805 . 15 1 1 A 98 98 ARG N N 132 126.525 125.302 1.223 1
1 806 . 15 1 1 A 99 99 ILE H H 133 9.338 9.406 -0.068 1
1 807 . 15 1 1 A 99 99 ILE HA H 133 3.959 5.115 -1.156 1
1 816 . 15 1 1 A 99 99 ILE C C 133 173.860 173.132 0.728 1
1 817 . 15 1 1 A 99 99 ILE CA C 133 59.719 59.233 0.486 1
1 818 . 15 1 1 A 99 99 ILE CB C 133 41.429 42.309 -0.880 1
1 821 . 15 1 1 A 99 99 ILE N N 133 129.483 125.642 3.841 1
1 822 . 15 1 1 A 100 100 LYS H H 134 8.457 9.094 -0.637 1
1 823 . 15 1 1 A 100 100 LYS HA H 134 4.990 5.277 -0.287 1
1 824 . 15 1 1 A 100 100 LYS C C 134 175.750 175.715 0.035 1
1 825 . 15 1 1 A 100 100 LYS CA C 134 54.548 54.569 -0.021 1
1 826 . 15 1 1 A 100 100 LYS CB C 134 32.800 35.576 -2.776 1
1 827 . 15 1 1 A 100 100 LYS N N 134 128.506 128.830 -0.324 1
1 828 . 15 1 1 A 101 101 GLY H H 135 8.968 8.351 0.617 1
1 829 . 15 1 1 A 101 101 GLY HA2 H 135 5.350 4.500 0.850 1
1 830 . 15 1 1 A 101 101 GLY HA3 H 135 3.290 4.625 -1.335 1
1 831 . 15 1 1 A 101 101 GLY C C 135 171.558 172.350 -0.792 1
1 832 . 15 1 1 A 101 101 GLY CA C 135 44.286 44.866 -0.580 1
1 833 . 15 1 1 A 101 101 GLY N N 135 110.167 112.982 -2.815 1
1 834 . 15 1 1 A 102 102 LYS H H 136 9.158 8.540 0.618 1
1 835 . 15 1 1 A 102 102 LYS C C 136 174.516 173.798 0.718 1
1 836 . 15 1 1 A 102 102 LYS CA C 136 53.781 55.018 -1.237 1
1 837 . 15 1 1 A 102 102 LYS CB C 136 34.807 36.457 -1.650 1
1 838 . 15 1 1 A 102 102 LYS N N 136 119.838 121.761 -1.923 1
1 839 . 15 1 1 A 103 103 GLU H H 137 8.711 9.448 -0.737 1
1 840 . 15 1 1 A 103 103 GLU HA H 137 4.709 5.010 -0.301 1
1 841 . 15 1 1 A 103 103 GLU C C 137 176.875 175.406 1.469 1
1 842 . 15 1 1 A 103 103 GLU CA C 137 56.833 55.092 1.741 1
1 843 . 15 1 1 A 103 103 GLU CB C 137 30.640 33.042 -2.402 1
1 844 . 15 1 1 A 103 103 GLU N N 137 124.293 121.403 2.890 1
1 845 . 15 1 1 A 104 104 ASP H H 138 9.334 8.770 0.564 1
1 846 . 15 1 1 A 104 104 ASP HA H 138 4.954 4.940 0.014 1
1 849 . 15 1 1 A 104 104 ASP C C 138 175.340 176.442 -1.102 1
1 850 . 15 1 1 A 104 104 ASP CA C 138 53.107 53.282 -0.175 1
1 851 . 15 1 1 A 104 104 ASP CB C 138 42.374 41.180 1.194 1
1 852 . 15 1 1 A 104 104 ASP N N 138 127.542 126.461 1.081 1
1 853 . 15 1 1 A 105 105 GLY H H 139 7.732 9.077 -1.345 1
1 854 . 15 1 1 A 105 105 GLY HA2 H 139 4.360 3.963 0.397 1
1 855 . 15 1 1 A 105 105 GLY HA3 H 139 3.800 3.964 -0.164 1
1 856 . 15 1 1 A 105 105 GLY C C 139 172.374 173.446 -1.072 1
1 857 . 15 1 1 A 105 105 GLY CA C 139 43.800 45.864 -2.064 1
1 858 . 15 1 1 A 105 105 GLY N N 139 106.466 107.992 -1.526 1
1 859 . 15 1 1 A 106 106 ALA H H 140 8.191 7.444 0.747 1
1 860 . 15 1 1 A 106 106 ALA HA H 140 4.564 4.558 0.006 1
1 864 . 15 1 1 A 106 106 ALA C C 140 177.004 174.988 2.016 1
1 865 . 15 1 1 A 106 106 ALA CA C 140 51.406 51.677 -0.271 1
1 866 . 15 1 1 A 106 106 ALA CB C 140 19.500 22.121 -2.621 1
1 867 . 15 1 1 A 106 106 ALA N N 140 120.674 121.115 -0.441 1
1 868 . 15 1 1 A 107 107 TYR H H 141 8.458 9.080 -0.622 1
1 869 . 15 1 1 A 107 107 TYR HA H 141 4.578 5.025 -0.447 1
1 873 . 15 1 1 A 107 107 TYR C C 141 174.746 175.302 -0.556 1
1 874 . 15 1 1 A 107 107 TYR CA C 141 56.554 57.643 -1.089 1
1 875 . 15 1 1 A 107 107 TYR CB C 141 38.649 42.061 -3.412 1
1 878 . 15 1 1 A 107 107 TYR N N 141 121.312 119.446 1.866 1
1 879 . 15 1 1 A 108 108 VAL H H 142 7.941 8.582 -0.641 1
1 880 . 15 1 1 A 108 108 VAL HA H 142 4.008 3.792 0.216 1
1 888 . 15 1 1 A 108 108 VAL C C 142 174.701 175.038 -0.337 1
1 889 . 15 1 1 A 108 108 VAL CA C 142 60.912 63.951 -3.039 1
1 890 . 15 1 1 A 108 108 VAL CB C 142 32.065 31.681 0.384 1
1 893 . 15 1 1 A 108 108 VAL N N 142 125.257 127.160 -1.903 1
1 9 . 16 1 1 A 2 2 TYR H H 36 7.537 8.898 -1.361 1
1 10 . 16 1 1 A 2 2 TYR HA H 36 3.945 5.134 -1.189 1
1 15 . 16 1 1 A 2 2 TYR C C 36 176.000 174.815 1.185 1
1 16 . 16 1 1 A 2 2 TYR CA C 36 57.871 56.786 1.085 1
1 17 . 16 1 1 A 2 2 TYR CB C 36 37.248 41.352 -4.104 1
1 18 . 16 1 1 A 2 2 TYR N N 36 117.048 121.728 -4.680 1
1 19 . 16 1 1 A 3 3 GLU H H 37 7.718 8.972 -1.254 1
1 20 . 16 1 1 A 3 3 GLU HA H 37 4.025 4.620 -0.595 1
1 24 . 16 1 1 A 3 3 GLU C C 37 176.100 176.406 -0.306 1
1 25 . 16 1 1 A 3 3 GLU CA C 37 56.788 56.771 0.017 1
1 26 . 16 1 1 A 3 3 GLU CB C 37 29.527 31.275 -1.748 1
1 28 . 16 1 1 A 3 3 GLU N N 37 118.925 125.037 -6.112 1
1 29 . 16 1 1 A 4 4 GLU H H 38 7.866 8.020 -0.154 1
1 30 . 16 1 1 A 4 4 GLU HA H 38 4.215 4.820 -0.605 1
1 35 . 16 1 1 A 4 4 GLU C C 38 176.205 174.418 1.787 1
1 36 . 16 1 1 A 4 4 GLU CA C 38 55.595 55.632 -0.037 1
1 37 . 16 1 1 A 4 4 GLU CB C 38 29.162 32.282 -3.120 1
1 38 . 16 1 1 A 4 4 GLU N N 38 116.623 117.813 -1.190 1
1 39 . 16 1 1 A 5 5 PHE H H 39 8.087 8.629 -0.542 1
1 40 . 16 1 1 A 5 5 PHE HA H 39 4.780 4.125 0.655 1
1 46 . 16 1 1 A 5 5 PHE C C 39 176.758 174.247 2.511 1
1 47 . 16 1 1 A 5 5 PHE CA C 39 54.914 55.671 -0.757 1
1 48 . 16 1 1 A 5 5 PHE CB C 39 36.531 39.008 -2.477 1
1 49 . 16 1 1 A 5 5 PHE N N 39 121.852 125.752 -3.900 1
1 50 . 16 1 1 A 6 6 ARG HA H 40 4.515 4.722 -0.207 1
1 51 . 16 1 1 A 6 6 ARG C C 40 176.376 174.493 1.883 1
1 52 . 16 1 1 A 6 6 ARG CA C 40 56.288 55.129 1.159 1
1 53 . 16 1 1 A 6 6 ARG CB C 40 31.100 31.040 0.060 1
1 54 . 16 1 1 A 7 7 ASP H H 41 8.851 7.792 1.059 1
1 55 . 16 1 1 A 7 7 ASP HA H 41 5.182 5.127 0.055 1
1 57 . 16 1 1 A 7 7 ASP C C 41 175.379 175.581 -0.202 1
1 58 . 16 1 1 A 7 7 ASP CA C 41 53.324 52.944 0.380 1
1 59 . 16 1 1 A 7 7 ASP CB C 41 44.292 43.281 1.011 1
1 60 . 16 1 1 A 7 7 ASP N N 41 119.795 121.821 -2.026 1
1 61 . 16 1 1 A 8 8 VAL H H 42 8.580 8.596 -0.016 1
1 62 . 16 1 1 A 8 8 VAL HA H 42 4.856 5.052 -0.196 1
1 70 . 16 1 1 A 8 8 VAL C C 42 175.170 174.830 0.340 1
1 71 . 16 1 1 A 8 8 VAL CA C 42 61.398 60.406 0.992 1
1 72 . 16 1 1 A 8 8 VAL CB C 42 33.643 34.096 -0.453 1
1 75 . 16 1 1 A 8 8 VAL N N 42 120.042 117.677 2.365 1
1 76 . 16 1 1 A 9 9 ILE H H 43 8.765 9.001 -0.236 1
1 77 . 16 1 1 A 9 9 ILE HA H 43 4.939 5.011 -0.072 1
1 79 . 16 1 1 A 9 9 ILE C C 43 173.755 174.561 -0.806 1
1 80 . 16 1 1 A 9 9 ILE CA C 43 58.528 59.010 -0.482 1
1 81 . 16 1 1 A 9 9 ILE CB C 43 40.437 42.311 -1.874 1
1 82 . 16 1 1 A 9 9 ILE N N 43 117.778 123.363 -5.585 1
1 83 . 16 1 1 A 10 10 THR H H 44 7.834 8.106 -0.272 1
1 84 . 16 1 1 A 10 10 THR HA H 44 4.709 4.740 -0.031 1
1 87 . 16 1 1 A 10 10 THR C C 44 173.691 173.628 0.063 1
1 88 . 16 1 1 A 10 10 THR CA C 44 61.662 61.342 0.320 1
1 89 . 16 1 1 A 10 10 THR CB C 44 70.906 69.427 1.479 1
1 91 . 16 1 1 A 10 10 THR N N 44 116.613 117.191 -0.578 1
1 92 . 16 1 1 A 11 11 PHE H H 45 8.821 8.540 0.281 1
1 93 . 16 1 1 A 11 11 PHE HA H 45 4.807 4.984 -0.177 1
1 94 . 16 1 1 A 11 11 PHE C C 45 175.619 175.092 0.527 1
1 95 . 16 1 1 A 11 11 PHE CA C 45 57.779 56.576 1.203 1
1 96 . 16 1 1 A 11 11 PHE CB C 45 39.649 40.415 -0.766 1
1 97 . 16 1 1 A 11 11 PHE N N 45 125.155 126.132 -0.977 1
1 98 . 16 1 1 A 12 12 GLN H H 46 9.103 8.942 0.161 1
1 99 . 16 1 1 A 12 12 GLN HA H 46 5.573 5.058 0.515 1
1 103 . 16 1 1 A 12 12 GLN C C 46 175.011 174.179 0.832 1
1 104 . 16 1 1 A 12 12 GLN CA C 46 54.423 53.864 0.559 1
1 105 . 16 1 1 A 12 12 GLN CB C 46 34.467 33.303 1.164 1
1 106 . 16 1 1 A 12 12 GLN N N 46 119.069 121.100 -2.031 1
1 107 . 16 1 1 A 13 13 SER H H 47 8.730 8.813 -0.083 1
1 108 . 16 1 1 A 13 13 SER HA H 47 5.229 5.313 -0.084 1
1 110 . 16 1 1 A 13 13 SER C C 47 171.559 171.863 -0.304 1
1 111 . 16 1 1 A 13 13 SER CA C 47 56.514 56.545 -0.031 1
1 112 . 16 1 1 A 13 13 SER CB C 47 66.075 65.381 0.694 1
1 113 . 16 1 1 A 13 13 SER N N 47 114.734 115.959 -1.225 1
1 114 . 16 1 1 A 14 14 TYR H H 48 8.544 8.764 -0.220 1
1 115 . 16 1 1 A 14 14 TYR HA H 48 4.256 4.465 -0.209 1
1 120 . 16 1 1 A 14 14 TYR C C 48 175.437 173.806 1.631 1
1 121 . 16 1 1 A 14 14 TYR CA C 48 56.137 56.255 -0.118 1
1 122 . 16 1 1 A 14 14 TYR CB C 48 36.242 39.909 -3.667 1
1 125 . 16 1 1 A 14 14 TYR N N 48 126.962 128.140 -1.178 1
1 126 . 16 1 1 A 15 15 VAL H H 49 8.537 8.845 -0.308 1
1 127 . 16 1 1 A 15 15 VAL HA H 49 4.360 4.547 -0.187 1
1 132 . 16 1 1 A 15 15 VAL C C 49 174.600 175.980 -1.380 1
1 133 . 16 1 1 A 15 15 VAL CA C 49 62.600 61.108 1.492 1
1 134 . 16 1 1 A 15 15 VAL CB C 49 35.100 33.260 1.840 1
1 136 . 16 1 1 A 15 15 VAL N N 49 123.837 127.823 -3.986 1
1 137 . 16 1 1 A 16 16 GLU H H 50 8.296 8.563 -0.267 1
1 138 . 16 1 1 A 16 16 GLU HA H 50 3.702 4.261 -0.559 1
1 142 . 16 1 1 A 16 16 GLU C C 50 175.947 175.652 0.295 1
1 143 . 16 1 1 A 16 16 GLU CA C 50 55.400 56.684 -1.284 1
1 144 . 16 1 1 A 16 16 GLU CB C 50 30.100 31.022 -0.922 1
1 145 . 16 1 1 A 16 16 GLU N N 50 124.989 121.130 3.859 1
1 146 . 16 1 1 A 17 17 GLN H H 51 8.529 7.812 0.717 1
1 147 . 16 1 1 A 17 17 GLN HA H 51 4.415 4.846 -0.431 1
1 151 . 16 1 1 A 17 17 GLN C C 51 175.122 174.574 0.548 1
1 152 . 16 1 1 A 17 17 GLN CA C 51 54.060 54.586 -0.526 1
1 153 . 16 1 1 A 17 17 GLN CB C 51 29.943 31.407 -1.464 1
1 155 . 16 1 1 A 17 17 GLN N N 51 124.656 117.633 7.023 1
1 156 . 16 1 1 A 18 18 SER HA H 52 4.420 4.933 -0.513 1
1 157 . 16 1 1 A 18 18 SER C C 52 173.505 172.869 0.636 1
1 158 . 16 1 1 A 18 18 SER CA C 52 58.279 57.629 0.650 1
1 159 . 16 1 1 A 18 18 SER CB C 52 63.835 67.002 -3.167 1
1 160 . 16 1 1 A 19 19 ASN H H 53 8.109 8.613 -0.504 1
1 161 . 16 1 1 A 19 19 ASN HA H 53 4.399 4.807 -0.408 1
1 164 . 16 1 1 A 19 19 ASN C C 53 179.837 175.517 4.320 1
1 165 . 16 1 1 A 19 19 ASN CA C 53 54.664 53.051 1.613 1
1 166 . 16 1 1 A 19 19 ASN CB C 53 39.983 36.458 3.525 1
1 167 . 16 1 1 A 19 19 ASN N N 53 126.199 121.994 4.205 1
1 168 . 16 1 1 A 20 20 GLY H H 54 8.166 7.730 0.436 1
1 169 . 16 1 1 A 20 20 GLY HA2 H 54 3.911 4.010 -0.099 1
1 170 . 16 1 1 A 20 20 GLY C C 54 174.876 173.655 1.221 1
1 171 . 16 1 1 A 20 20 GLY CA C 54 45.206 45.505 -0.299 1
1 172 . 16 1 1 A 20 20 GLY N N 54 113.067 106.113 6.954 1
1 173 . 16 1 1 A 22 22 GLY CA C 56 45.279 44.967 0.312 1
1 174 . 16 1 1 A 23 23 GLY H H 57 8.235 8.283 -0.048 1
1 175 . 16 1 1 A 23 23 GLY HA2 H 57 3.929 4.235 -0.306 1
1 176 . 16 1 1 A 23 23 GLY C C 57 173.796 171.746 2.050 1
1 177 . 16 1 1 A 23 23 GLY CA C 57 45.348 46.019 -0.671 1
1 178 . 16 1 1 A 23 23 GLY N N 57 108.389 108.581 -0.192 1
1 179 . 16 1 1 A 24 24 LYS HA H 58 4.804 4.392 0.412 1
1 180 . 16 1 1 A 24 24 LYS C C 58 175.908 174.728 1.180 1
1 181 . 16 1 1 A 24 24 LYS CA C 58 54.833 55.574 -0.741 1
1 182 . 16 1 1 A 24 24 LYS CB C 58 34.402 30.944 3.458 1
1 183 . 16 1 1 A 25 25 THR H H 59 8.413 7.511 0.902 1
1 184 . 16 1 1 A 25 25 THR HA H 59 4.482 4.750 -0.268 1
1 187 . 16 1 1 A 25 25 THR C C 59 171.934 171.386 0.548 1
1 188 . 16 1 1 A 25 25 THR CA C 59 60.144 60.596 -0.452 1
1 189 . 16 1 1 A 25 25 THR CB C 59 71.035 70.003 1.032 1
1 191 . 16 1 1 A 25 25 THR N N 59 115.947 116.118 -0.171 1
1 192 . 16 1 1 A 26 26 TYR H H 60 8.182 8.786 -0.604 1
1 193 . 16 1 1 A 26 26 TYR HA H 60 4.883 5.087 -0.204 1
1 198 . 16 1 1 A 26 26 TYR C C 60 173.593 174.605 -1.012 1
1 199 . 16 1 1 A 26 26 TYR CA C 60 54.043 56.050 -2.007 1
1 200 . 16 1 1 A 26 26 TYR CB C 60 40.100 43.178 -3.078 1
1 202 . 16 1 1 A 26 26 TYR N N 60 121.985 122.001 -0.016 1
1 203 . 16 1 1 A 27 27 LYS H H 61 8.385 8.702 -0.317 1
1 204 . 16 1 1 A 27 27 LYS HA H 61 4.563 5.103 -0.540 1
1 205 . 16 1 1 A 27 27 LYS C C 61 174.186 174.415 -0.229 1
1 206 . 16 1 1 A 27 27 LYS CA C 61 54.589 55.352 -0.763 1
1 207 . 16 1 1 A 27 27 LYS CB C 61 35.801 36.593 -0.792 1
1 208 . 16 1 1 A 27 27 LYS N N 61 120.203 121.526 -1.323 1
1 209 . 16 1 1 A 28 28 TRP H H 62 8.524 8.592 -0.068 1
1 210 . 16 1 1 A 28 28 TRP HA H 62 5.361 5.610 -0.249 1
1 215 . 16 1 1 A 28 28 TRP C C 62 176.934 174.830 2.104 1
1 216 . 16 1 1 A 28 28 TRP CA C 62 56.499 55.589 0.910 1
1 217 . 16 1 1 A 28 28 TRP CB C 62 29.300 32.806 -3.506 1
1 218 . 16 1 1 A 28 28 TRP N N 62 122.913 125.193 -2.280 1
1 220 . 16 1 1 A 29 29 VAL H H 63 9.470 8.848 0.622 1
1 221 . 16 1 1 A 29 29 VAL HA H 63 4.626 4.963 -0.337 1
1 229 . 16 1 1 A 29 29 VAL C C 63 175.264 172.815 2.449 1
1 230 . 16 1 1 A 29 29 VAL CA C 63 59.163 60.342 -1.179 1
1 231 . 16 1 1 A 29 29 VAL CB C 63 34.759 35.992 -1.233 1
1 234 . 16 1 1 A 29 29 VAL N N 63 120.454 120.681 -0.227 1
1 235 . 16 1 1 A 30 30 ASP H H 64 8.576 8.972 -0.396 1
1 236 . 16 1 1 A 30 30 ASP HA H 64 4.386 4.984 -0.598 1
1 237 . 16 1 1 A 30 30 ASP C C 64 174.186 176.720 -2.534 1
1 238 . 16 1 1 A 30 30 ASP CA C 64 55.907 53.541 2.366 1
1 239 . 16 1 1 A 30 30 ASP CB C 64 39.942 42.797 -2.855 1
1 240 . 16 1 1 A 30 30 ASP N N 64 123.588 127.049 -3.461 1
1 241 . 16 1 1 A 31 31 GLU H H 65 9.482 9.314 0.168 1
1 242 . 16 1 1 A 31 31 GLU HA H 65 4.674 4.435 0.239 1
1 246 . 16 1 1 A 31 31 GLU C C 65 176.000 176.426 -0.426 1
1 247 . 16 1 1 A 31 31 GLU CA C 65 57.263 58.356 -1.093 1
1 248 . 16 1 1 A 31 31 GLU CB C 65 30.200 31.166 -0.966 1
1 250 . 16 1 1 A 31 31 GLU N N 65 124.008 125.612 -1.604 1
1 251 . 16 1 1 A 32 32 PHE H H 66 7.257 7.400 -0.143 1
1 252 . 16 1 1 A 32 32 PHE HA H 66 4.940 5.147 -0.207 1
1 254 . 16 1 1 A 32 32 PHE C C 66 172.742 173.194 -0.452 1
1 255 . 16 1 1 A 32 32 PHE CA C 66 56.316 56.611 -0.295 1
1 256 . 16 1 1 A 32 32 PHE CB C 66 38.948 40.762 -1.814 1
1 257 . 16 1 1 A 32 32 PHE N N 66 110.866 112.867 -2.001 1
1 258 . 16 1 1 A 33 33 THR H H 67 8.603 8.743 -0.140 1
1 259 . 16 1 1 A 33 33 THR HA H 67 5.377 5.083 0.294 1
1 262 . 16 1 1 A 33 33 THR C C 67 173.388 173.410 -0.022 1
1 263 . 16 1 1 A 33 33 THR CA C 67 60.207 60.990 -0.783 1
1 264 . 16 1 1 A 33 33 THR CB C 67 71.620 71.953 -0.333 1
1 266 . 16 1 1 A 33 33 THR N N 67 114.847 114.490 0.357 1
1 267 . 16 1 1 A 34 34 ALA H H 68 9.185 8.382 0.803 1
1 268 . 16 1 1 A 34 34 ALA HA H 68 4.873 4.898 -0.025 1
1 272 . 16 1 1 A 34 34 ALA C C 68 174.999 175.698 -0.699 1
1 273 . 16 1 1 A 34 34 ALA CA C 68 50.660 51.450 -0.790 1
1 274 . 16 1 1 A 34 34 ALA CB C 68 23.911 23.826 0.085 1
1 275 . 16 1 1 A 34 34 ALA N N 68 125.817 123.951 1.866 1
1 276 . 16 1 1 A 35 35 ALA H H 69 8.347 8.510 -0.163 1
1 277 . 16 1 1 A 35 35 ALA HA H 69 4.889 4.777 0.112 1
1 281 . 16 1 1 A 35 35 ALA C C 69 176.937 176.895 0.042 1
1 282 . 16 1 1 A 35 35 ALA CA C 69 51.329 51.470 -0.141 1
1 283 . 16 1 1 A 35 35 ALA CB C 69 19.210 19.878 -0.668 1
1 284 . 16 1 1 A 35 35 ALA N N 69 122.342 122.387 -0.045 1
1 285 . 16 1 1 A 36 36 ALA H H 70 8.468 8.811 -0.343 1
1 286 . 16 1 1 A 36 36 ALA HA H 70 4.996 4.979 0.017 1
1 290 . 16 1 1 A 36 36 ALA C C 70 175.102 175.324 -0.222 1
1 291 . 16 1 1 A 36 36 ALA CA C 70 50.876 51.791 -0.915 1
1 292 . 16 1 1 A 36 36 ALA CB C 70 23.556 23.449 0.107 1
1 293 . 16 1 1 A 36 36 ALA N N 70 120.267 125.324 -5.057 1
1 294 . 16 1 1 A 37 37 HIS H H 71 9.136 8.473 0.663 1
1 295 . 16 1 1 A 37 37 HIS HA H 71 5.343 5.358 -0.015 1
1 298 . 16 1 1 A 37 37 HIS C C 71 174.002 173.358 0.644 1
1 299 . 16 1 1 A 37 37 HIS CA C 71 54.803 55.354 -0.551 1
1 300 . 16 1 1 A 37 37 HIS CB C 71 32.322 33.294 -0.972 1
1 301 . 16 1 1 A 37 37 HIS N N 71 119.360 119.183 0.177 1
1 302 . 16 1 1 A 38 38 VAL H H 72 8.557 8.935 -0.378 1
1 303 . 16 1 1 A 38 38 VAL HA H 72 4.174 4.529 -0.355 1
1 311 . 16 1 1 A 38 38 VAL C C 72 174.000 173.764 0.236 1
1 312 . 16 1 1 A 38 38 VAL CA C 72 61.587 61.237 0.350 1
1 313 . 16 1 1 A 38 38 VAL CB C 72 31.381 32.476 -1.095 1
1 316 . 16 1 1 A 38 38 VAL N N 72 127.947 126.439 1.508 1
1 317 . 16 1 1 A 39 39 GLN H H 73 8.971 9.210 -0.239 1
1 318 . 16 1 1 A 39 39 GLN HA H 73 5.019 4.417 0.602 1
1 321 . 16 1 1 A 39 39 GLN C C 73 173.260 174.319 -1.059 1
1 322 . 16 1 1 A 39 39 GLN CA C 73 51.310 52.496 -1.186 1
1 323 . 16 1 1 A 39 39 GLN CB C 73 30.955 31.569 -0.614 1
1 324 . 16 1 1 A 39 39 GLN N N 73 127.985 128.210 -0.225 1
1 325 . 16 1 1 A 40 40 PRO HA H 74 4.707 3.349 1.358 1
1 329 . 16 1 1 A 40 40 PRO C C 74 3.820 176.496 -172.676 1
1 330 . 16 1 1 A 40 40 PRO CA C 74 176.828 61.823 115.005 1
1 331 . 16 1 1 A 40 40 PRO CB C 74 62.215 31.849 30.366 1
1 333 . 16 1 1 A 40 40 PRO N N 74 50.800 137.956 -87.156 1
1 334 . 16 1 1 A 41 41 ILE H H 75 8.105 7.923 0.182 1
1 335 . 16 1 1 A 41 41 ILE HA H 75 4.074 3.975 0.099 1
1 338 . 16 1 1 A 41 41 ILE C C 75 175.881 175.653 0.228 1
1 339 . 16 1 1 A 41 41 ILE CA C 75 61.399 60.953 0.446 1
1 340 . 16 1 1 A 41 41 ILE CB C 75 38.214 37.932 0.282 1
1 342 . 16 1 1 A 41 41 ILE N N 75 122.818 119.375 3.443 1
1 343 . 16 1 1 A 43 43 GLN HA H 77 4.267 4.572 -0.305 1
1 344 . 16 1 1 A 43 43 GLN C C 77 176.255 176.740 -0.485 1
1 345 . 16 1 1 A 43 43 GLN CA C 77 56.500 54.784 1.716 1
1 346 . 16 1 1 A 43 43 GLN CB C 77 29.100 26.644 2.456 1
1 347 . 16 1 1 A 44 44 GLU H H 78 8.458 7.697 0.761 1
1 348 . 16 1 1 A 44 44 GLU HA H 78 4.184 4.171 0.013 1
1 351 . 16 1 1 A 44 44 GLU C C 78 177.000 177.134 -0.134 1
1 352 . 16 1 1 A 44 44 GLU CA C 78 57.400 59.479 -2.079 1
1 353 . 16 1 1 A 44 44 GLU CB C 78 29.148 29.779 -0.631 1
1 355 . 16 1 1 A 44 44 GLU N N 78 120.627 119.778 0.849 1
1 356 . 16 1 1 A 45 45 GLU H H 79 8.283 8.213 0.070 1
1 357 . 16 1 1 A 45 45 GLU HA H 79 4.121 4.322 -0.201 1
1 360 . 16 1 1 A 45 45 GLU C C 79 176.972 176.591 0.381 1
1 361 . 16 1 1 A 45 45 GLU CA C 79 57.106 58.673 -1.567 1
1 362 . 16 1 1 A 45 45 GLU CB C 79 29.680 29.437 0.243 1
1 364 . 16 1 1 A 45 45 GLU N N 79 119.997 119.752 0.245 1
1 365 . 16 1 1 A 46 46 TYR H H 80 7.961 8.573 -0.612 1
1 366 . 16 1 1 A 46 46 TYR HA H 80 4.369 4.400 -0.031 1
1 369 . 16 1 1 A 46 46 TYR C C 80 176.086 176.959 -0.873 1
1 370 . 16 1 1 A 46 46 TYR CA C 80 58.284 60.931 -2.647 1
1 371 . 16 1 1 A 46 46 TYR CB C 80 38.214 40.003 -1.789 1
1 372 . 16 1 1 A 46 46 TYR N N 80 119.582 120.342 -0.760 1
1 373 . 16 1 1 A 47 47 TYR H H 81 7.918 7.912 0.006 1
1 374 . 16 1 1 A 47 47 TYR HA H 81 4.399 4.777 -0.378 1
1 378 . 16 1 1 A 47 47 TYR C C 81 176.566 175.109 1.457 1
1 379 . 16 1 1 A 47 47 TYR CA C 81 58.479 58.983 -0.504 1
1 380 . 16 1 1 A 47 47 TYR CB C 81 38.042 40.542 -2.500 1
1 381 . 16 1 1 A 47 47 TYR N N 81 119.336 118.167 1.169 1
1 382 . 16 1 1 A 48 48 LYS HA H 82 4.090 4.435 -0.345 1
1 383 . 16 1 1 A 48 48 LYS C C 82 176.894 177.069 -0.175 1
1 384 . 16 1 1 A 48 48 LYS CA C 82 56.786 55.295 1.491 1
1 385 . 16 1 1 A 48 48 LYS CB C 82 32.306 33.557 -1.251 1
1 386 . 16 1 1 A 49 49 ALA H H 83 7.999 8.585 -0.586 1
1 387 . 16 1 1 A 49 49 ALA HA H 83 4.178 4.246 -0.068 1
1 391 . 16 1 1 A 49 49 ALA C C 83 178.193 177.112 1.081 1
1 392 . 16 1 1 A 49 49 ALA CA C 83 52.825 52.111 0.714 1
1 393 . 16 1 1 A 49 49 ALA CB C 83 18.200 18.377 -0.177 1
1 394 . 16 1 1 A 49 49 ALA N N 83 122.394 124.176 -1.782 1
1 395 . 16 1 1 A 50 50 GLN H H 84 8.006 8.259 -0.253 1
1 396 . 16 1 1 A 50 50 GLN HA H 84 4.167 4.456 -0.289 1
1 400 . 16 1 1 A 50 50 GLN C C 84 176.200 176.191 0.009 1
1 401 . 16 1 1 A 50 50 GLN CA C 84 56.016 57.288 -1.272 1
1 402 . 16 1 1 A 50 50 GLN CB C 84 28.467 27.731 0.736 1
1 404 . 16 1 1 A 50 50 GLN N N 84 116.623 112.649 3.974 1
1 405 . 16 1 1 A 51 51 GLN H H 85 8.085 8.860 -0.775 1
1 406 . 16 1 1 A 51 51 GLN HA H 85 4.223 4.451 -0.228 1
1 410 . 16 1 1 A 51 51 GLN CA C 85 56.393 56.889 -0.496 1
1 411 . 16 1 1 A 51 51 GLN CB C 85 28.600 29.530 -0.930 1
1 413 . 16 1 1 A 51 51 GLN N N 85 118.681 121.478 -2.797 1
1 414 . 16 1 1 A 53 53 GLN HA H 87 4.268 4.404 -0.136 1
1 415 . 16 1 1 A 53 53 GLN C C 87 175.517 174.171 1.346 1
1 416 . 16 1 1 A 53 53 GLN CA C 87 55.821 54.829 0.992 1
1 417 . 16 1 1 A 53 53 GLN CB C 87 28.296 27.092 1.204 1
1 418 . 16 1 1 A 54 54 THR H H 88 7.950 7.944 0.006 1
1 419 . 16 1 1 A 54 54 THR HA H 88 4.540 4.779 -0.239 1
1 422 . 16 1 1 A 54 54 THR C C 88 172.445 173.573 -1.128 1
1 423 . 16 1 1 A 54 54 THR CA C 88 59.184 59.237 -0.053 1
1 424 . 16 1 1 A 54 54 THR CB C 88 69.534 69.712 -0.178 1
1 426 . 16 1 1 A 54 54 THR N N 88 116.337 118.470 -2.133 1
1 427 . 16 1 1 A 55 55 PRO HA H 89 4.410 4.734 -0.324 1
1 431 . 16 1 1 A 55 55 PRO C C 89 3.600 176.959 -173.359 1
1 432 . 16 1 1 A 55 55 PRO CA C 89 176.508 62.429 114.079 1
1 433 . 16 1 1 A 55 55 PRO CB C 89 62.325 32.357 29.968 1
1 436 . 16 1 1 A 55 55 PRO N N 89 50.400 141.486 -91.086 1
1 437 . 16 1 1 A 56 56 ILE H H 90 8.247 8.553 -0.306 1
1 438 . 16 1 1 A 56 56 ILE HA H 90 3.993 4.565 -0.572 1
1 443 . 16 1 1 A 56 56 ILE C C 90 175.132 176.401 -1.269 1
1 444 . 16 1 1 A 56 56 ILE CA C 90 60.718 60.696 0.022 1
1 445 . 16 1 1 A 56 56 ILE CB C 90 38.277 39.859 -1.582 1
1 447 . 16 1 1 A 56 56 ILE N N 90 121.921 116.217 5.704 1
1 448 . 16 1 1 A 57 57 GLY H H 91 7.820 7.778 0.042 1
1 449 . 16 1 1 A 57 57 GLY HA2 H 91 4.550 4.167 0.383 1
1 450 . 16 1 1 A 57 57 GLY HA3 H 91 3.640 4.246 -0.606 1
1 451 . 16 1 1 A 57 57 GLY C C 91 172.184 171.468 0.716 1
1 452 . 16 1 1 A 57 57 GLY CA C 91 43.575 44.658 -1.083 1
1 453 . 16 1 1 A 57 57 GLY N N 91 110.987 110.088 0.899 1
1 454 . 16 1 1 A 58 58 TYR H H 92 8.593 8.782 -0.189 1
1 455 . 16 1 1 A 58 58 TYR HA H 92 5.166 5.132 0.034 1
1 460 . 16 1 1 A 58 58 TYR C C 92 175.122 174.929 0.193 1
1 461 . 16 1 1 A 58 58 TYR CA C 92 56.544 56.400 0.144 1
1 462 . 16 1 1 A 58 58 TYR CB C 92 43.819 42.053 1.766 1
1 465 . 16 1 1 A 58 58 TYR N N 92 116.307 121.549 -5.242 1
1 466 . 16 1 1 A 59 59 ASN H H 93 8.964 8.938 0.026 1
1 467 . 16 1 1 A 59 59 ASN HA H 93 5.116 5.333 -0.217 1
1 470 . 16 1 1 A 59 59 ASN C C 93 173.457 174.700 -1.243 1
1 471 . 16 1 1 A 59 59 ASN CA C 93 52.717 53.017 -0.300 1
1 472 . 16 1 1 A 59 59 ASN CB C 93 40.420 39.904 0.516 1
1 473 . 16 1 1 A 59 59 ASN N N 93 119.232 120.961 -1.729 1
1 474 . 16 1 1 A 60 60 ILE H H 94 9.013 8.530 0.483 1
1 475 . 16 1 1 A 60 60 ILE HA H 94 4.383 5.195 -0.812 1
1 476 . 16 1 1 A 60 60 ILE C C 94 173.370 173.335 0.035 1
1 477 . 16 1 1 A 60 60 ILE CA C 94 60.231 59.638 0.593 1
1 478 . 16 1 1 A 60 60 ILE CB C 94 38.728 42.029 -3.301 1
1 479 . 16 1 1 A 60 60 ILE N N 94 123.021 123.905 -0.884 1
1 480 . 16 1 1 A 61 61 TYR H H 95 8.867 8.565 0.302 1
1 481 . 16 1 1 A 61 61 TYR HA H 95 5.279 5.894 -0.615 1
1 486 . 16 1 1 A 61 61 TYR C C 95 174.262 173.589 0.673 1
1 487 . 16 1 1 A 61 61 TYR CA C 95 55.732 55.326 0.406 1
1 488 . 16 1 1 A 61 61 TYR CB C 95 39.723 42.593 -2.870 1
1 491 . 16 1 1 A 61 61 TYR N N 95 125.343 123.027 2.316 1
1 492 . 16 1 1 A 62 62 THR H H 96 8.998 8.730 0.268 1
1 493 . 16 1 1 A 62 62 THR HA H 96 4.889 5.061 -0.172 1
1 496 . 16 1 1 A 62 62 THR C C 96 172.708 172.442 0.266 1
1 497 . 16 1 1 A 62 62 THR CA C 96 58.248 58.423 -0.175 1
1 498 . 16 1 1 A 62 62 THR CB C 96 73.097 72.657 0.440 1
1 500 . 16 1 1 A 62 62 THR N N 96 119.223 115.479 3.744 1
1 501 . 16 1 1 A 63 63 PRO HA H 97 4.410 4.722 -0.312 1
1 503 . 16 1 1 A 63 63 PRO C C 97 3.190 177.503 -174.313 1
1 504 . 16 1 1 A 63 63 PRO CA C 97 175.250 62.961 112.289 1
1 505 . 16 1 1 A 63 63 PRO CB C 97 63.642 32.490 31.152 1
1 507 . 16 1 1 A 63 63 PRO N N 97 51.700 138.968 -87.268 1
1 508 . 16 1 1 A 64 64 TYR H H 98 7.826 9.177 -1.351 1
1 509 . 16 1 1 A 64 64 TYR HA H 98 4.265 4.094 0.171 1
1 514 . 16 1 1 A 64 64 TYR C C 98 175.150 174.166 0.984 1
1 515 . 16 1 1 A 64 64 TYR CA C 98 59.434 59.216 0.218 1
1 516 . 16 1 1 A 64 64 TYR CB C 98 37.240 37.070 0.170 1
1 518 . 16 1 1 A 64 64 TYR N N 98 122.118 122.630 -0.512 1
1 519 . 16 1 1 A 65 65 ASP H H 99 5.931 7.880 -1.949 1
1 520 . 16 1 1 A 65 65 ASP HA H 99 4.255 4.678 -0.423 1
1 523 . 16 1 1 A 65 65 ASP C C 99 176.079 174.888 1.191 1
1 524 . 16 1 1 A 65 65 ASP CA C 99 52.885 53.646 -0.761 1
1 525 . 16 1 1 A 65 65 ASP CB C 99 43.486 41.809 1.677 1
1 526 . 16 1 1 A 65 65 ASP N N 99 125.409 119.700 5.709 1
1 527 . 16 1 1 A 66 66 ASP H H 100 8.703 8.708 -0.005 1
1 528 . 16 1 1 A 66 66 ASP HA H 100 4.058 4.852 -0.794 1
1 531 . 16 1 1 A 66 66 ASP C C 100 176.300 176.271 0.029 1
1 532 . 16 1 1 A 66 66 ASP CA C 100 55.332 53.754 1.578 1
1 533 . 16 1 1 A 66 66 ASP CB C 100 40.206 41.025 -0.819 1
1 534 . 16 1 1 A 66 66 ASP N N 100 128.295 124.428 3.867 1
1 535 . 16 1 1 A 67 67 ARG H H 101 8.832 7.710 1.122 1
1 536 . 16 1 1 A 67 67 ARG HA H 101 3.944 4.381 -0.437 1
1 538 . 16 1 1 A 67 67 ARG C C 101 177.624 177.469 0.155 1
1 539 . 16 1 1 A 67 67 ARG CA C 101 56.509 56.681 -0.172 1
1 540 . 16 1 1 A 67 67 ARG CB C 101 31.162 31.375 -0.213 1
1 541 . 16 1 1 A 67 67 ARG N N 101 117.507 118.650 -1.143 1
1 542 . 16 1 1 A 68 68 ILE H H 102 7.004 7.783 -0.779 1
1 543 . 16 1 1 A 68 68 ILE HA H 102 3.507 4.041 -0.534 1
1 548 . 16 1 1 A 68 68 ILE C C 102 174.835 175.577 -0.742 1
1 549 . 16 1 1 A 68 68 ILE CA C 102 63.638 64.554 -0.916 1
1 550 . 16 1 1 A 68 68 ILE CB C 102 36.617 37.653 -1.036 1
1 552 . 16 1 1 A 68 68 ILE N N 102 116.003 118.317 -2.314 1
1 553 . 16 1 1 A 69 69 ASP H H 103 8.026 7.543 0.483 1
1 554 . 16 1 1 A 69 69 ASP HA H 103 4.954 3.360 1.594 1
1 557 . 16 1 1 A 69 69 ASP C C 103 175.574 174.312 1.262 1
1 558 . 16 1 1 A 69 69 ASP CA C 103 52.485 52.193 0.292 1
1 559 . 16 1 1 A 69 69 ASP CB C 103 45.984 42.719 3.265 1
1 560 . 16 1 1 A 69 69 ASP N N 103 129.672 119.970 9.702 1
1 561 . 16 1 1 A 70 70 LYS H H 104 8.505 8.503 0.002 1
1 562 . 16 1 1 A 70 70 LYS C C 104 175.300 176.433 -1.133 1
1 563 . 16 1 1 A 70 70 LYS CA C 104 58.027 57.783 0.244 1
1 564 . 16 1 1 A 70 70 LYS CB C 104 31.376 35.172 -3.796 1
1 565 . 16 1 1 A 70 70 LYS N N 104 119.646 123.427 -3.781 1
1 566 . 16 1 1 A 71 71 LYS H H 105 8.653 8.306 0.347 1
1 567 . 16 1 1 A 71 71 LYS HA H 105 4.513 4.835 -0.322 1
1 571 . 16 1 1 A 71 71 LYS C C 105 178.190 175.798 2.392 1
1 572 . 16 1 1 A 71 71 LYS CA C 105 56.415 55.685 0.730 1
1 573 . 16 1 1 A 71 71 LYS CB C 105 30.942 32.652 -1.710 1
1 575 . 16 1 1 A 71 71 LYS N N 105 118.554 114.573 3.981 1
1 576 . 16 1 1 A 72 72 MET H H 106 7.596 7.698 -0.102 1
1 577 . 16 1 1 A 72 72 MET HA H 106 5.019 4.897 0.122 1
1 578 . 16 1 1 A 72 72 MET C C 106 172.309 173.411 -1.102 1
1 579 . 16 1 1 A 72 72 MET CA C 106 56.500 53.941 2.559 1
1 580 . 16 1 1 A 72 72 MET CB C 106 34.892 35.958 -1.066 1
1 581 . 16 1 1 A 72 72 MET N N 106 119.949 118.384 1.565 1
1 582 . 16 1 1 A 73 73 ARG H H 107 8.266 8.362 -0.096 1
1 583 . 16 1 1 A 73 73 ARG HA H 107 4.075 4.566 -0.491 1
1 585 . 16 1 1 A 73 73 ARG C C 107 172.995 173.770 -0.775 1
1 586 . 16 1 1 A 73 73 ARG CA C 107 53.348 54.254 -0.906 1
1 587 . 16 1 1 A 73 73 ARG CB C 107 31.579 34.230 -2.651 1
1 588 . 16 1 1 A 73 73 ARG N N 107 112.423 120.226 -7.803 1
1 589 . 16 1 1 A 74 74 VAL H H 108 8.371 8.307 0.064 1
1 590 . 16 1 1 A 74 74 VAL HA H 108 4.954 4.671 0.283 1
1 598 . 16 1 1 A 74 74 VAL C C 108 173.137 173.666 -0.529 1
1 599 . 16 1 1 A 74 74 VAL CA C 108 58.400 59.615 -1.215 1
1 600 . 16 1 1 A 74 74 VAL CB C 108 35.700 35.642 0.058 1
1 603 . 16 1 1 A 74 74 VAL N N 108 117.751 121.046 -3.295 1
1 604 . 16 1 1 A 75 75 ILE H H 109 8.644 8.799 -0.155 1
1 605 . 16 1 1 A 75 75 ILE HA H 109 4.772 4.490 0.282 1
1 610 . 16 1 1 A 75 75 ILE C C 109 176.377 173.835 2.542 1
1 611 . 16 1 1 A 75 75 ILE CA C 109 57.500 60.111 -2.611 1
1 612 . 16 1 1 A 75 75 ILE CB C 109 35.550 38.815 -3.265 1
1 614 . 16 1 1 A 75 75 ILE N N 109 122.741 126.196 -3.455 1
1 615 . 16 1 1 A 76 76 TYR H H 110 8.928 8.702 0.226 1
1 616 . 16 1 1 A 76 76 TYR HA H 110 4.873 4.701 0.172 1
1 621 . 16 1 1 A 76 76 TYR C C 110 173.400 174.834 -1.434 1
1 622 . 16 1 1 A 76 76 TYR CA C 110 54.699 57.062 -2.363 1
1 623 . 16 1 1 A 76 76 TYR CB C 110 40.392 39.411 0.981 1
1 626 . 16 1 1 A 76 76 TYR N N 110 129.091 129.573 -0.482 1
1 627 . 16 1 1 A 77 77 ARG H H 111 9.206 9.352 -0.146 1
1 628 . 16 1 1 A 77 77 ARG HA H 111 3.537 3.791 -0.254 1
1 633 . 16 1 1 A 77 77 ARG C C 111 176.065 176.084 -0.019 1
1 634 . 16 1 1 A 77 77 ARG CA C 111 56.490 56.882 -0.392 1
1 635 . 16 1 1 A 77 77 ARG CB C 111 27.448 27.486 -0.038 1
1 636 . 16 1 1 A 77 77 ARG N N 111 126.774 128.202 -1.428 1
1 637 . 16 1 1 A 78 78 GLY H H 112 8.155 8.289 -0.134 1
1 638 . 16 1 1 A 78 78 GLY HA2 H 112 4.040 3.780 0.260 1
1 639 . 16 1 1 A 78 78 GLY HA3 H 112 3.540 3.790 -0.250 1
1 640 . 16 1 1 A 78 78 GLY C C 112 173.810 173.451 0.359 1
1 641 . 16 1 1 A 78 78 GLY CA C 112 45.284 45.170 0.114 1
1 642 . 16 1 1 A 78 78 GLY N N 112 102.172 104.948 -2.776 1
1 643 . 16 1 1 A 79 79 LYS HA H 113 3.910 4.576 -0.666 1
1 644 . 16 1 1 A 79 79 LYS C C 113 174.750 175.611 -0.861 1
1 645 . 16 1 1 A 79 79 LYS CA C 113 53.808 55.006 -1.198 1
1 646 . 16 1 1 A 79 79 LYS CB C 113 33.298 33.864 -0.566 1
1 647 . 16 1 1 A 80 80 ILE H H 114 8.484 8.525 -0.041 1
1 648 . 16 1 1 A 80 80 ILE HA H 114 3.860 4.375 -0.515 1
1 653 . 16 1 1 A 80 80 ILE C C 114 174.732 175.206 -0.474 1
1 654 . 16 1 1 A 80 80 ILE CA C 114 61.130 60.648 0.482 1
1 655 . 16 1 1 A 80 80 ILE CB C 114 37.740 38.354 -0.614 1
1 657 . 16 1 1 A 80 80 ILE N N 114 121.186 123.115 -1.929 1
1 658 . 16 1 1 A 81 81 VAL H H 115 9.395 8.792 0.603 1
1 659 . 16 1 1 A 81 81 VAL HA H 115 4.645 4.823 -0.178 1
1 664 . 16 1 1 A 81 81 VAL C C 115 174.934 174.870 0.064 1
1 665 . 16 1 1 A 81 81 VAL CA C 115 60.401 60.082 0.319 1
1 666 . 16 1 1 A 81 81 VAL CB C 115 32.142 34.327 -2.185 1
1 668 . 16 1 1 A 81 81 VAL N N 115 129.212 127.951 1.261 1
1 669 . 16 1 1 A 82 82 THR H H 116 8.661 8.750 -0.089 1
1 670 . 16 1 1 A 82 82 THR HA H 116 4.483 4.845 -0.362 1
1 673 . 16 1 1 A 82 82 THR C C 116 175.000 174.398 0.602 1
1 674 . 16 1 1 A 82 82 THR CA C 116 59.911 61.080 -1.169 1
1 675 . 16 1 1 A 82 82 THR CB C 116 69.844 70.044 -0.200 1
1 677 . 16 1 1 A 82 82 THR N N 116 120.129 119.815 0.314 1
1 678 . 16 1 1 A 83 83 PHE H H 117 9.153 8.812 0.341 1
1 679 . 16 1 1 A 83 83 PHE HA H 117 5.003 5.851 -0.848 1
1 681 . 16 1 1 A 83 83 PHE C C 117 177.126 173.162 3.964 1
1 682 . 16 1 1 A 83 83 PHE CA C 117 55.003 55.183 -0.180 1
1 683 . 16 1 1 A 83 83 PHE CB C 117 37.018 42.645 -5.627 1
1 684 . 16 1 1 A 83 83 PHE N N 117 123.251 119.547 3.704 1
1 685 . 16 1 1 A 84 84 ILE H H 118 8.882 8.934 -0.052 1
1 686 . 16 1 1 A 84 84 ILE HA H 118 4.320 5.426 -1.106 1
1 695 . 16 1 1 A 84 84 ILE C C 118 175.958 174.807 1.151 1
1 696 . 16 1 1 A 84 84 ILE CA C 118 60.275 59.452 0.823 1
1 697 . 16 1 1 A 84 84 ILE CB C 118 37.057 42.223 -5.166 1
1 700 . 16 1 1 A 84 84 ILE N N 118 122.450 120.537 1.913 1
1 701 . 16 1 1 A 85 85 GLY H H 119 8.198 7.999 0.199 1
1 702 . 16 1 1 A 85 85 GLY HA2 H 119 4.050 4.132 -0.082 1
1 703 . 16 1 1 A 85 85 GLY HA3 H 119 3.900 4.194 -0.294 1
1 704 . 16 1 1 A 85 85 GLY C C 119 172.376 171.196 1.180 1
1 705 . 16 1 1 A 85 85 GLY CA C 119 44.033 45.773 -1.740 1
1 706 . 16 1 1 A 85 85 GLY N N 119 112.995 112.454 0.541 1
1 707 . 16 1 1 A 86 86 ASP H H 120 8.132 8.754 -0.622 1
1 708 . 16 1 1 A 86 86 ASP HA H 120 4.938 5.194 -0.256 1
1 711 . 16 1 1 A 86 86 ASP C C 120 175.418 174.434 0.984 1
1 712 . 16 1 1 A 86 86 ASP CA C 120 52.656 50.561 2.095 1
1 713 . 16 1 1 A 86 86 ASP CB C 120 40.163 44.263 -4.100 1
1 714 . 16 1 1 A 86 86 ASP N N 120 119.130 119.297 -0.167 1
1 715 . 16 1 1 A 87 87 PRO HA H 121 4.470 4.780 -0.310 1
1 719 . 16 1 1 A 87 87 PRO CA C 121 175.750 62.337 113.413 1
1 720 . 16 1 1 A 87 87 PRO CB C 121 62.414 32.549 29.865 1
1 723 . 16 1 1 A 87 87 PRO N N 121 49.700 139.432 -89.732 1
1 724 . 16 1 1 A 88 88 VAL H H 122 8.707 8.172 0.535 1
1 725 . 16 1 1 A 88 88 VAL HA H 122 4.400 4.990 -0.590 1
1 733 . 16 1 1 A 88 88 VAL C C 122 174.250 174.373 -0.123 1
1 734 . 16 1 1 A 88 88 VAL CA C 122 60.598 59.029 1.569 1
1 735 . 16 1 1 A 88 88 VAL CB C 122 34.847 35.050 -0.203 1
1 738 . 16 1 1 A 88 88 VAL N N 122 121.987 115.806 6.181 1
1 739 . 16 1 1 A 89 89 ASP H H 123 8.437 8.430 0.007 1
1 740 . 16 1 1 A 89 89 ASP HA H 123 5.068 5.298 -0.230 1
1 743 . 16 1 1 A 89 89 ASP C C 123 177.435 176.350 1.085 1
1 744 . 16 1 1 A 89 89 ASP CA C 123 52.751 52.793 -0.042 1
1 745 . 16 1 1 A 89 89 ASP CB C 123 40.191 42.304 -2.113 1
1 746 . 16 1 1 A 89 89 ASP N N 123 125.856 123.209 2.647 1
1 747 . 16 1 1 A 90 90 LEU H H 124 8.793 8.292 0.501 1
1 748 . 16 1 1 A 90 90 LEU HA H 124 4.047 4.503 -0.456 1
1 749 . 16 1 1 A 90 90 LEU CA C 124 56.836 54.781 2.055 1
1 750 . 16 1 1 A 90 90 LEU CB C 124 41.301 42.005 -0.704 1
1 751 . 16 1 1 A 90 90 LEU N N 124 128.178 123.468 4.710 1
1 752 . 16 1 1 A 91 91 SER H H 125 8.927 8.072 0.855 1
1 753 . 16 1 1 A 91 91 SER HA H 125 4.287 4.279 0.008 1
1 754 . 16 1 1 A 91 91 SER C C 125 173.984 175.247 -1.263 1
1 755 . 16 1 1 A 91 91 SER CA C 125 58.498 60.117 -1.619 1
1 756 . 16 1 1 A 91 91 SER CB C 125 63.600 62.582 1.018 1
1 757 . 16 1 1 A 91 91 SER N N 125 115.226 115.734 -0.508 1
1 758 . 16 1 1 A 92 92 GLY H H 126 8.250 8.798 -0.548 1
1 759 . 16 1 1 A 92 92 GLY HA2 H 126 3.950 4.044 -0.094 1
1 760 . 16 1 1 A 92 92 GLY HA3 H 126 3.670 4.050 -0.380 1
1 761 . 16 1 1 A 92 92 GLY C C 126 174.700 175.519 -0.819 1
1 762 . 16 1 1 A 92 92 GLY CA C 126 45.900 45.674 0.226 1
1 763 . 16 1 1 A 92 92 GLY N N 126 109.395 108.694 0.701 1
1 764 . 16 1 1 A 94 94 GLN C C 128 174.459 173.624 0.835 1
1 765 . 16 1 1 A 94 94 GLN CA C 128 56.434 55.423 1.011 1
1 766 . 16 1 1 A 94 94 GLN CB C 128 25.491 32.388 -6.897 1
1 767 . 16 1 1 A 95 95 GLU H H 129 8.474 8.351 0.123 1
1 768 . 16 1 1 A 95 95 GLU HA H 129 4.596 4.250 0.346 1
1 772 . 16 1 1 A 95 95 GLU C C 129 177.559 175.214 2.345 1
1 773 . 16 1 1 A 95 95 GLU CA C 129 57.183 56.242 0.941 1
1 774 . 16 1 1 A 95 95 GLU CB C 129 31.432 28.087 3.345 1
1 775 . 16 1 1 A 95 95 GLU N N 129 115.145 123.198 -8.053 1
1 776 . 16 1 1 A 96 96 ILE H H 130 9.393 8.202 1.191 1
1 777 . 16 1 1 A 96 96 ILE HA H 130 4.660 5.151 -0.491 1
1 782 . 16 1 1 A 96 96 ILE C C 130 173.821 174.711 -0.890 1
1 783 . 16 1 1 A 96 96 ILE CA C 130 59.481 59.571 -0.090 1
1 784 . 16 1 1 A 96 96 ILE CB C 130 41.386 41.076 0.310 1
1 785 . 16 1 1 A 96 96 ILE N N 130 124.603 123.337 1.266 1
1 786 . 16 1 1 A 97 97 THR H H 131 9.341 8.761 0.580 1
1 787 . 16 1 1 A 97 97 THR HA H 131 5.135 5.317 -0.182 1
1 790 . 16 1 1 A 97 97 THR C C 131 172.742 174.036 -1.294 1
1 791 . 16 1 1 A 97 97 THR CA C 131 62.458 60.758 1.700 1
1 792 . 16 1 1 A 97 97 THR CB C 131 69.995 70.370 -0.375 1
1 794 . 16 1 1 A 97 97 THR N N 131 125.280 121.188 4.092 1
1 795 . 16 1 1 A 98 98 ARG H H 132 9.286 8.481 0.805 1
1 796 . 16 1 1 A 98 98 ARG HA H 132 5.263 5.336 -0.073 1
1 802 . 16 1 1 A 98 98 ARG C C 132 175.462 174.956 0.506 1
1 803 . 16 1 1 A 98 98 ARG CA C 132 53.122 54.647 -1.525 1
1 804 . 16 1 1 A 98 98 ARG CB C 132 32.555 33.621 -1.066 1
1 805 . 16 1 1 A 98 98 ARG N N 132 126.525 124.512 2.013 1
1 806 . 16 1 1 A 99 99 ILE H H 133 9.338 8.990 0.348 1
1 807 . 16 1 1 A 99 99 ILE HA H 133 3.959 4.982 -1.023 1
1 816 . 16 1 1 A 99 99 ILE C C 133 173.860 173.890 -0.030 1
1 817 . 16 1 1 A 99 99 ILE CA C 133 59.719 59.023 0.696 1
1 818 . 16 1 1 A 99 99 ILE CB C 133 41.429 42.223 -0.794 1
1 821 . 16 1 1 A 99 99 ILE N N 133 129.483 122.131 7.352 1
1 822 . 16 1 1 A 100 100 LYS H H 134 8.457 8.855 -0.398 1
1 823 . 16 1 1 A 100 100 LYS HA H 134 4.990 5.057 -0.067 1
1 824 . 16 1 1 A 100 100 LYS C C 134 175.750 174.861 0.889 1
1 825 . 16 1 1 A 100 100 LYS CA C 134 54.548 54.688 -0.140 1
1 826 . 16 1 1 A 100 100 LYS CB C 134 32.800 34.718 -1.918 1
1 827 . 16 1 1 A 100 100 LYS N N 134 128.506 126.578 1.928 1
1 828 . 16 1 1 A 101 101 GLY H H 135 8.968 8.321 0.647 1
1 829 . 16 1 1 A 101 101 GLY HA2 H 135 5.350 4.513 0.837 1
1 830 . 16 1 1 A 101 101 GLY HA3 H 135 3.290 4.531 -1.241 1
1 831 . 16 1 1 A 101 101 GLY C C 135 171.558 172.299 -0.741 1
1 832 . 16 1 1 A 101 101 GLY CA C 135 44.286 44.944 -0.658 1
1 833 . 16 1 1 A 101 101 GLY N N 135 110.167 109.796 0.371 1
1 834 . 16 1 1 A 102 102 LYS H H 136 9.158 9.117 0.041 1
1 835 . 16 1 1 A 102 102 LYS C C 136 174.516 174.652 -0.136 1
1 836 . 16 1 1 A 102 102 LYS CA C 136 53.781 54.623 -0.842 1
1 837 . 16 1 1 A 102 102 LYS CB C 136 34.807 36.423 -1.616 1
1 838 . 16 1 1 A 102 102 LYS N N 136 119.838 119.340 0.498 1
1 839 . 16 1 1 A 103 103 GLU H H 137 8.711 9.311 -0.600 1
1 840 . 16 1 1 A 103 103 GLU HA H 137 4.709 4.758 -0.049 1
1 841 . 16 1 1 A 103 103 GLU C C 137 176.875 174.972 1.903 1
1 842 . 16 1 1 A 103 103 GLU CA C 137 56.833 55.799 1.034 1
1 843 . 16 1 1 A 103 103 GLU CB C 137 30.640 30.540 0.100 1
1 844 . 16 1 1 A 103 103 GLU N N 137 124.293 122.904 1.389 1
1 845 . 16 1 1 A 104 104 ASP H H 138 9.334 8.688 0.646 1
1 846 . 16 1 1 A 104 104 ASP HA H 138 4.954 5.065 -0.111 1
1 849 . 16 1 1 A 104 104 ASP C C 138 175.340 174.621 0.719 1
1 850 . 16 1 1 A 104 104 ASP CA C 138 53.107 53.006 0.101 1
1 851 . 16 1 1 A 104 104 ASP CB C 138 42.374 42.559 -0.185 1
1 852 . 16 1 1 A 104 104 ASP N N 138 127.542 126.723 0.819 1
1 853 . 16 1 1 A 105 105 GLY H H 139 7.732 8.242 -0.510 1
1 854 . 16 1 1 A 105 105 GLY HA2 H 139 4.360 4.056 0.304 1
1 855 . 16 1 1 A 105 105 GLY HA3 H 139 3.800 4.092 -0.292 1
1 856 . 16 1 1 A 105 105 GLY C C 139 172.374 172.979 -0.605 1
1 857 . 16 1 1 A 105 105 GLY CA C 139 43.800 45.601 -1.801 1
1 858 . 16 1 1 A 105 105 GLY N N 139 106.466 108.911 -2.445 1
1 859 . 16 1 1 A 106 106 ALA H H 140 8.191 7.355 0.836 1
1 860 . 16 1 1 A 106 106 ALA HA H 140 4.564 4.336 0.228 1
1 864 . 16 1 1 A 106 106 ALA C C 140 177.004 175.104 1.900 1
1 865 . 16 1 1 A 106 106 ALA CA C 140 51.406 51.593 -0.187 1
1 866 . 16 1 1 A 106 106 ALA CB C 140 19.500 21.990 -2.490 1
1 867 . 16 1 1 A 106 106 ALA N N 140 120.674 118.854 1.820 1
1 868 . 16 1 1 A 107 107 TYR H H 141 8.458 8.611 -0.153 1
1 869 . 16 1 1 A 107 107 TYR HA H 141 4.578 4.758 -0.180 1
1 873 . 16 1 1 A 107 107 TYR C C 141 174.746 174.686 0.060 1
1 874 . 16 1 1 A 107 107 TYR CA C 141 56.554 57.473 -0.919 1
1 875 . 16 1 1 A 107 107 TYR CB C 141 38.649 38.917 -0.268 1
1 878 . 16 1 1 A 107 107 TYR N N 141 121.312 116.149 5.163 1
1 879 . 16 1 1 A 108 108 VAL H H 142 7.941 8.001 -0.060 1
1 880 . 16 1 1 A 108 108 VAL HA H 142 4.008 3.813 0.195 1
1 888 . 16 1 1 A 108 108 VAL C C 142 174.701 175.162 -0.461 1
1 889 . 16 1 1 A 108 108 VAL CA C 142 60.912 63.453 -2.541 1
1 890 . 16 1 1 A 108 108 VAL CB C 142 32.065 29.642 2.423 1
1 893 . 16 1 1 A 108 108 VAL N N 142 125.257 115.476 9.781 1
1 9 . 17 1 1 A 2 2 TYR H H 36 7.537 8.146 -0.609 1
1 10 . 17 1 1 A 2 2 TYR HA H 36 3.945 4.895 -0.950 1
1 15 . 17 1 1 A 2 2 TYR C C 36 176.000 175.093 0.907 1
1 16 . 17 1 1 A 2 2 TYR CA C 36 57.871 59.066 -1.195 1
1 17 . 17 1 1 A 2 2 TYR CB C 36 37.248 39.337 -2.089 1
1 18 . 17 1 1 A 2 2 TYR N N 36 117.048 119.415 -2.367 1
1 19 . 17 1 1 A 3 3 GLU H H 37 7.718 8.399 -0.681 1
1 20 . 17 1 1 A 3 3 GLU HA H 37 4.025 4.374 -0.349 1
1 24 . 17 1 1 A 3 3 GLU C C 37 176.100 175.222 0.878 1
1 25 . 17 1 1 A 3 3 GLU CA C 37 56.788 55.702 1.086 1
1 26 . 17 1 1 A 3 3 GLU CB C 37 29.527 28.218 1.309 1
1 28 . 17 1 1 A 3 3 GLU N N 37 118.925 119.528 -0.603 1
1 29 . 17 1 1 A 4 4 GLU H H 38 7.866 8.065 -0.199 1
1 30 . 17 1 1 A 4 4 GLU HA H 38 4.215 5.008 -0.793 1
1 35 . 17 1 1 A 4 4 GLU C C 38 176.205 175.433 0.772 1
1 36 . 17 1 1 A 4 4 GLU CA C 38 55.595 55.284 0.311 1
1 37 . 17 1 1 A 4 4 GLU CB C 38 29.162 31.786 -2.624 1
1 38 . 17 1 1 A 4 4 GLU N N 38 116.623 121.570 -4.947 1
1 39 . 17 1 1 A 5 5 PHE H H 39 8.087 8.746 -0.659 1
1 40 . 17 1 1 A 5 5 PHE HA H 39 4.780 4.875 -0.095 1
1 46 . 17 1 1 A 5 5 PHE C C 39 176.758 174.189 2.569 1
1 47 . 17 1 1 A 5 5 PHE CA C 39 54.914 58.066 -3.152 1
1 48 . 17 1 1 A 5 5 PHE CB C 39 36.531 40.258 -3.727 1
1 49 . 17 1 1 A 5 5 PHE N N 39 121.852 121.213 0.639 1
1 50 . 17 1 1 A 6 6 ARG HA H 40 4.515 4.289 0.226 1
1 51 . 17 1 1 A 6 6 ARG C C 40 176.376 175.485 0.891 1
1 52 . 17 1 1 A 6 6 ARG CA C 40 56.288 56.525 -0.237 1
1 53 . 17 1 1 A 6 6 ARG CB C 40 31.100 30.708 0.392 1
1 54 . 17 1 1 A 7 7 ASP H H 41 8.851 8.169 0.682 1
1 55 . 17 1 1 A 7 7 ASP HA H 41 5.182 5.185 -0.003 1
1 57 . 17 1 1 A 7 7 ASP C C 41 175.379 174.760 0.619 1
1 58 . 17 1 1 A 7 7 ASP CA C 41 53.324 53.246 0.078 1
1 59 . 17 1 1 A 7 7 ASP CB C 41 44.292 44.152 0.140 1
1 60 . 17 1 1 A 7 7 ASP N N 41 119.795 118.722 1.073 1
1 61 . 17 1 1 A 8 8 VAL H H 42 8.580 9.071 -0.491 1
1 62 . 17 1 1 A 8 8 VAL HA H 42 4.856 5.097 -0.241 1
1 70 . 17 1 1 A 8 8 VAL C C 42 175.170 175.247 -0.077 1
1 71 . 17 1 1 A 8 8 VAL CA C 42 61.398 60.732 0.666 1
1 72 . 17 1 1 A 8 8 VAL CB C 42 33.643 33.803 -0.160 1
1 75 . 17 1 1 A 8 8 VAL N N 42 120.042 118.145 1.897 1
1 76 . 17 1 1 A 9 9 ILE H H 43 8.765 8.948 -0.183 1
1 77 . 17 1 1 A 9 9 ILE HA H 43 4.939 5.058 -0.119 1
1 79 . 17 1 1 A 9 9 ILE C C 43 173.755 174.335 -0.580 1
1 80 . 17 1 1 A 9 9 ILE CA C 43 58.528 58.962 -0.434 1
1 81 . 17 1 1 A 9 9 ILE CB C 43 40.437 41.921 -1.484 1
1 82 . 17 1 1 A 9 9 ILE N N 43 117.778 123.905 -6.127 1
1 83 . 17 1 1 A 10 10 THR H H 44 7.834 7.960 -0.126 1
1 84 . 17 1 1 A 10 10 THR HA H 44 4.709 4.819 -0.110 1
1 87 . 17 1 1 A 10 10 THR C C 44 173.691 173.548 0.143 1
1 88 . 17 1 1 A 10 10 THR CA C 44 61.662 61.086 0.576 1
1 89 . 17 1 1 A 10 10 THR CB C 44 70.906 70.295 0.611 1
1 91 . 17 1 1 A 10 10 THR N N 44 116.613 116.913 -0.300 1
1 92 . 17 1 1 A 11 11 PHE H H 45 8.821 8.648 0.173 1
1 93 . 17 1 1 A 11 11 PHE HA H 45 4.807 5.166 -0.359 1
1 94 . 17 1 1 A 11 11 PHE C C 45 175.619 174.966 0.653 1
1 95 . 17 1 1 A 11 11 PHE CA C 45 57.779 56.087 1.692 1
1 96 . 17 1 1 A 11 11 PHE CB C 45 39.649 40.757 -1.108 1
1 97 . 17 1 1 A 11 11 PHE N N 45 125.155 125.432 -0.277 1
1 98 . 17 1 1 A 12 12 GLN H H 46 9.103 8.984 0.119 1
1 99 . 17 1 1 A 12 12 GLN HA H 46 5.573 5.006 0.567 1
1 103 . 17 1 1 A 12 12 GLN C C 46 175.011 174.850 0.161 1
1 104 . 17 1 1 A 12 12 GLN CA C 46 54.423 54.152 0.271 1
1 105 . 17 1 1 A 12 12 GLN CB C 46 34.467 33.179 1.288 1
1 106 . 17 1 1 A 12 12 GLN N N 46 119.069 121.659 -2.590 1
1 107 . 17 1 1 A 13 13 SER H H 47 8.730 8.922 -0.192 1
1 108 . 17 1 1 A 13 13 SER HA H 47 5.229 5.361 -0.132 1
1 110 . 17 1 1 A 13 13 SER C C 47 171.559 172.077 -0.518 1
1 111 . 17 1 1 A 13 13 SER CA C 47 56.514 57.110 -0.596 1
1 112 . 17 1 1 A 13 13 SER CB C 47 66.075 66.581 -0.506 1
1 113 . 17 1 1 A 13 13 SER N N 47 114.734 114.438 0.296 1
1 114 . 17 1 1 A 14 14 TYR H H 48 8.544 8.687 -0.143 1
1 115 . 17 1 1 A 14 14 TYR HA H 48 4.256 5.132 -0.876 1
1 120 . 17 1 1 A 14 14 TYR C C 48 175.437 173.923 1.514 1
1 121 . 17 1 1 A 14 14 TYR CA C 48 56.137 55.405 0.732 1
1 122 . 17 1 1 A 14 14 TYR CB C 48 36.242 40.816 -4.574 1
1 125 . 17 1 1 A 14 14 TYR N N 48 126.962 123.261 3.701 1
1 126 . 17 1 1 A 15 15 VAL H H 49 8.537 8.678 -0.141 1
1 127 . 17 1 1 A 15 15 VAL HA H 49 4.360 4.890 -0.530 1
1 132 . 17 1 1 A 15 15 VAL C C 49 174.600 174.093 0.507 1
1 133 . 17 1 1 A 15 15 VAL CA C 49 62.600 59.282 3.318 1
1 134 . 17 1 1 A 15 15 VAL CB C 49 35.100 36.105 -1.005 1
1 136 . 17 1 1 A 15 15 VAL N N 49 123.837 122.581 1.256 1
1 137 . 17 1 1 A 16 16 GLU H H 50 8.296 8.484 -0.188 1
1 138 . 17 1 1 A 16 16 GLU HA H 50 3.702 4.514 -0.812 1
1 142 . 17 1 1 A 16 16 GLU C C 50 175.947 175.654 0.293 1
1 143 . 17 1 1 A 16 16 GLU CA C 50 55.400 53.846 1.554 1
1 144 . 17 1 1 A 16 16 GLU CB C 50 30.100 32.106 -2.006 1
1 145 . 17 1 1 A 16 16 GLU N N 50 124.989 121.652 3.337 1
1 146 . 17 1 1 A 17 17 GLN H H 51 8.529 8.527 0.002 1
1 147 . 17 1 1 A 17 17 GLN HA H 51 4.415 4.523 -0.108 1
1 151 . 17 1 1 A 17 17 GLN C C 51 175.122 175.276 -0.154 1
1 152 . 17 1 1 A 17 17 GLN CA C 51 54.060 56.565 -2.505 1
1 153 . 17 1 1 A 17 17 GLN CB C 51 29.943 31.159 -1.216 1
1 155 . 17 1 1 A 17 17 GLN N N 51 124.656 118.254 6.402 1
1 156 . 17 1 1 A 18 18 SER HA H 52 4.420 4.484 -0.064 1
1 157 . 17 1 1 A 18 18 SER C C 52 173.505 173.536 -0.031 1
1 158 . 17 1 1 A 18 18 SER CA C 52 58.279 56.251 2.028 1
1 159 . 17 1 1 A 18 18 SER CB C 52 63.835 64.927 -1.092 1
1 160 . 17 1 1 A 19 19 ASN H H 53 8.109 9.072 -0.963 1
1 161 . 17 1 1 A 19 19 ASN HA H 53 4.399 4.539 -0.140 1
1 164 . 17 1 1 A 19 19 ASN C C 53 179.837 175.868 3.969 1
1 165 . 17 1 1 A 19 19 ASN CA C 53 54.664 55.367 -0.703 1
1 166 . 17 1 1 A 19 19 ASN CB C 53 39.983 38.429 1.554 1
1 167 . 17 1 1 A 19 19 ASN N N 53 126.199 121.165 5.034 1
1 168 . 17 1 1 A 20 20 GLY H H 54 8.166 7.641 0.525 1
1 169 . 17 1 1 A 20 20 GLY HA2 H 54 3.911 4.005 -0.094 1
1 170 . 17 1 1 A 20 20 GLY C C 54 174.876 175.463 -0.587 1
1 171 . 17 1 1 A 20 20 GLY CA C 54 45.206 45.448 -0.242 1
1 172 . 17 1 1 A 20 20 GLY N N 54 113.067 107.475 5.592 1
1 173 . 17 1 1 A 22 22 GLY CA C 56 45.279 45.591 -0.312 1
1 174 . 17 1 1 A 23 23 GLY H H 57 8.235 8.430 -0.195 1
1 175 . 17 1 1 A 23 23 GLY HA2 H 57 3.929 3.982 -0.053 1
1 176 . 17 1 1 A 23 23 GLY C C 57 173.796 174.352 -0.556 1
1 177 . 17 1 1 A 23 23 GLY CA C 57 45.348 46.224 -0.876 1
1 178 . 17 1 1 A 23 23 GLY N N 57 108.389 107.873 0.516 1
1 179 . 17 1 1 A 24 24 LYS HA H 58 4.804 3.929 0.875 1
1 180 . 17 1 1 A 24 24 LYS C C 58 175.908 175.179 0.729 1
1 181 . 17 1 1 A 24 24 LYS CA C 58 54.833 57.143 -2.310 1
1 182 . 17 1 1 A 24 24 LYS CB C 58 34.402 29.848 4.554 1
1 183 . 17 1 1 A 25 25 THR H H 59 8.413 7.854 0.559 1
1 184 . 17 1 1 A 25 25 THR HA H 59 4.482 4.459 0.023 1
1 187 . 17 1 1 A 25 25 THR C C 59 171.934 173.369 -1.435 1
1 188 . 17 1 1 A 25 25 THR CA C 59 60.144 61.759 -1.615 1
1 189 . 17 1 1 A 25 25 THR CB C 59 71.035 68.517 2.518 1
1 191 . 17 1 1 A 25 25 THR N N 59 115.947 114.169 1.778 1
1 192 . 17 1 1 A 26 26 TYR H H 60 8.182 8.996 -0.814 1
1 193 . 17 1 1 A 26 26 TYR HA H 60 4.883 4.976 -0.093 1
1 198 . 17 1 1 A 26 26 TYR C C 60 173.593 174.542 -0.949 1
1 199 . 17 1 1 A 26 26 TYR CA C 60 54.043 55.746 -1.703 1
1 200 . 17 1 1 A 26 26 TYR CB C 60 40.100 40.664 -0.564 1
1 202 . 17 1 1 A 26 26 TYR N N 60 121.985 126.073 -4.088 1
1 203 . 17 1 1 A 27 27 LYS H H 61 8.385 8.712 -0.327 1
1 204 . 17 1 1 A 27 27 LYS HA H 61 4.563 4.942 -0.379 1
1 205 . 17 1 1 A 27 27 LYS C C 61 174.186 175.565 -1.379 1
1 206 . 17 1 1 A 27 27 LYS CA C 61 54.589 54.520 0.069 1
1 207 . 17 1 1 A 27 27 LYS CB C 61 35.801 34.888 0.913 1
1 208 . 17 1 1 A 27 27 LYS N N 61 120.203 122.005 -1.802 1
1 209 . 17 1 1 A 28 28 TRP H H 62 8.524 9.097 -0.573 1
1 210 . 17 1 1 A 28 28 TRP HA H 62 5.361 5.401 -0.040 1
1 215 . 17 1 1 A 28 28 TRP C C 62 176.934 176.444 0.490 1
1 216 . 17 1 1 A 28 28 TRP CA C 62 56.499 56.718 -0.219 1
1 217 . 17 1 1 A 28 28 TRP CB C 62 29.300 30.693 -1.393 1
1 218 . 17 1 1 A 28 28 TRP N N 62 122.913 124.503 -1.590 1
1 220 . 17 1 1 A 29 29 VAL H H 63 9.470 8.738 0.732 1
1 221 . 17 1 1 A 29 29 VAL HA H 63 4.626 5.065 -0.439 1
1 229 . 17 1 1 A 29 29 VAL C C 63 175.264 174.229 1.035 1
1 230 . 17 1 1 A 29 29 VAL CA C 63 59.163 59.282 -0.119 1
1 231 . 17 1 1 A 29 29 VAL CB C 63 34.759 36.368 -1.609 1
1 234 . 17 1 1 A 29 29 VAL N N 63 120.454 117.839 2.615 1
1 235 . 17 1 1 A 30 30 ASP H H 64 8.576 8.797 -0.221 1
1 236 . 17 1 1 A 30 30 ASP HA H 64 4.386 4.949 -0.563 1
1 237 . 17 1 1 A 30 30 ASP C C 64 174.186 176.259 -2.073 1
1 238 . 17 1 1 A 30 30 ASP CA C 64 55.907 53.138 2.769 1
1 239 . 17 1 1 A 30 30 ASP CB C 64 39.942 41.973 -2.031 1
1 240 . 17 1 1 A 30 30 ASP N N 64 123.588 121.677 1.911 1
1 241 . 17 1 1 A 31 31 GLU H H 65 9.482 9.425 0.057 1
1 242 . 17 1 1 A 31 31 GLU HA H 65 4.674 4.490 0.184 1
1 246 . 17 1 1 A 31 31 GLU C C 65 176.000 176.360 -0.360 1
1 247 . 17 1 1 A 31 31 GLU CA C 65 57.263 58.189 -0.926 1
1 248 . 17 1 1 A 31 31 GLU CB C 65 30.200 31.463 -1.263 1
1 250 . 17 1 1 A 31 31 GLU N N 65 124.008 122.167 1.841 1
1 251 . 17 1 1 A 32 32 PHE H H 66 7.257 7.453 -0.196 1
1 252 . 17 1 1 A 32 32 PHE HA H 66 4.940 5.143 -0.203 1
1 254 . 17 1 1 A 32 32 PHE C C 66 172.742 173.149 -0.407 1
1 255 . 17 1 1 A 32 32 PHE CA C 66 56.316 56.559 -0.243 1
1 256 . 17 1 1 A 32 32 PHE CB C 66 38.948 40.643 -1.695 1
1 257 . 17 1 1 A 32 32 PHE N N 66 110.866 112.710 -1.844 1
1 258 . 17 1 1 A 33 33 THR H H 67 8.603 8.883 -0.280 1
1 259 . 17 1 1 A 33 33 THR HA H 67 5.377 5.271 0.106 1
1 262 . 17 1 1 A 33 33 THR C C 67 173.388 173.585 -0.197 1
1 263 . 17 1 1 A 33 33 THR CA C 67 60.207 60.255 -0.048 1
1 264 . 17 1 1 A 33 33 THR CB C 67 71.620 71.206 0.414 1
1 266 . 17 1 1 A 33 33 THR N N 67 114.847 112.466 2.381 1
1 267 . 17 1 1 A 34 34 ALA H H 68 9.185 8.597 0.588 1
1 268 . 17 1 1 A 34 34 ALA HA H 68 4.873 4.912 -0.039 1
1 272 . 17 1 1 A 34 34 ALA C C 68 174.999 175.960 -0.961 1
1 273 . 17 1 1 A 34 34 ALA CA C 68 50.660 51.499 -0.839 1
1 274 . 17 1 1 A 34 34 ALA CB C 68 23.911 23.731 0.180 1
1 275 . 17 1 1 A 34 34 ALA N N 68 125.817 123.839 1.978 1
1 276 . 17 1 1 A 35 35 ALA H H 69 8.347 8.647 -0.300 1
1 277 . 17 1 1 A 35 35 ALA HA H 69 4.889 5.283 -0.394 1
1 281 . 17 1 1 A 35 35 ALA C C 69 176.937 176.523 0.414 1
1 282 . 17 1 1 A 35 35 ALA CA C 69 51.329 50.697 0.632 1
1 283 . 17 1 1 A 35 35 ALA CB C 69 19.210 20.944 -1.734 1
1 284 . 17 1 1 A 35 35 ALA N N 69 122.342 122.705 -0.363 1
1 285 . 17 1 1 A 36 36 ALA H H 70 8.468 8.625 -0.157 1
1 286 . 17 1 1 A 36 36 ALA HA H 70 4.996 4.646 0.350 1
1 290 . 17 1 1 A 36 36 ALA C C 70 175.102 174.731 0.371 1
1 291 . 17 1 1 A 36 36 ALA CA C 70 50.876 51.425 -0.549 1
1 292 . 17 1 1 A 36 36 ALA CB C 70 23.556 23.112 0.444 1
1 293 . 17 1 1 A 36 36 ALA N N 70 120.267 124.714 -4.447 1
1 294 . 17 1 1 A 37 37 HIS H H 71 9.136 8.401 0.735 1
1 295 . 17 1 1 A 37 37 HIS HA H 71 5.343 5.090 0.253 1
1 298 . 17 1 1 A 37 37 HIS C C 71 174.002 173.529 0.473 1
1 299 . 17 1 1 A 37 37 HIS CA C 71 54.803 54.092 0.711 1
1 300 . 17 1 1 A 37 37 HIS CB C 71 32.322 31.297 1.025 1
1 301 . 17 1 1 A 37 37 HIS N N 71 119.360 118.870 0.490 1
1 302 . 17 1 1 A 38 38 VAL H H 72 8.557 9.005 -0.448 1
1 303 . 17 1 1 A 38 38 VAL HA H 72 4.174 4.659 -0.485 1
1 311 . 17 1 1 A 38 38 VAL C C 72 174.000 174.694 -0.694 1
1 312 . 17 1 1 A 38 38 VAL CA C 72 61.587 61.546 0.041 1
1 313 . 17 1 1 A 38 38 VAL CB C 72 31.381 33.664 -2.283 1
1 316 . 17 1 1 A 38 38 VAL N N 72 127.947 127.560 0.387 1
1 317 . 17 1 1 A 39 39 GLN H H 73 8.971 8.820 0.151 1
1 318 . 17 1 1 A 39 39 GLN HA H 73 5.019 4.839 0.180 1
1 321 . 17 1 1 A 39 39 GLN C C 73 173.260 173.372 -0.112 1
1 322 . 17 1 1 A 39 39 GLN CA C 73 51.310 52.584 -1.274 1
1 323 . 17 1 1 A 39 39 GLN CB C 73 30.955 32.017 -1.062 1
1 324 . 17 1 1 A 39 39 GLN N N 73 127.985 128.088 -0.103 1
1 325 . 17 1 1 A 40 40 PRO HA H 74 4.707 3.792 0.915 1
1 329 . 17 1 1 A 40 40 PRO C C 74 3.820 176.510 -172.690 1
1 330 . 17 1 1 A 40 40 PRO CA C 74 176.828 63.362 113.466 1
1 331 . 17 1 1 A 40 40 PRO CB C 74 62.215 31.652 30.563 1
1 333 . 17 1 1 A 40 40 PRO N N 74 50.800 138.436 -87.636 1
1 334 . 17 1 1 A 41 41 ILE H H 75 8.105 8.468 -0.363 1
1 335 . 17 1 1 A 41 41 ILE HA H 75 4.074 3.812 0.262 1
1 338 . 17 1 1 A 41 41 ILE C C 75 175.881 174.840 1.041 1
1 339 . 17 1 1 A 41 41 ILE CA C 75 61.399 62.573 -1.174 1
1 340 . 17 1 1 A 41 41 ILE CB C 75 38.214 36.604 1.610 1
1 342 . 17 1 1 A 41 41 ILE N N 75 122.818 118.023 4.795 1
1 343 . 17 1 1 A 43 43 GLN HA H 77 4.267 5.079 -0.812 1
1 344 . 17 1 1 A 43 43 GLN C C 77 176.255 175.176 1.079 1
1 345 . 17 1 1 A 43 43 GLN CA C 77 56.500 54.572 1.928 1
1 346 . 17 1 1 A 43 43 GLN CB C 77 29.100 32.273 -3.173 1
1 347 . 17 1 1 A 44 44 GLU H H 78 8.458 8.935 -0.477 1
1 348 . 17 1 1 A 44 44 GLU HA H 78 4.184 4.600 -0.416 1
1 351 . 17 1 1 A 44 44 GLU C C 78 177.000 176.565 0.435 1
1 352 . 17 1 1 A 44 44 GLU CA C 78 57.400 56.186 1.214 1
1 353 . 17 1 1 A 44 44 GLU CB C 78 29.148 29.712 -0.564 1
1 355 . 17 1 1 A 44 44 GLU N N 78 120.627 125.058 -4.431 1
1 356 . 17 1 1 A 45 45 GLU H H 79 8.283 7.903 0.380 1
1 357 . 17 1 1 A 45 45 GLU HA H 79 4.121 3.898 0.223 1
1 360 . 17 1 1 A 45 45 GLU C C 79 176.972 175.789 1.183 1
1 361 . 17 1 1 A 45 45 GLU CA C 79 57.106 59.290 -2.184 1
1 362 . 17 1 1 A 45 45 GLU CB C 79 29.680 27.785 1.895 1
1 364 . 17 1 1 A 45 45 GLU N N 79 119.997 116.408 3.589 1
1 365 . 17 1 1 A 46 46 TYR H H 80 7.961 8.373 -0.412 1
1 366 . 17 1 1 A 46 46 TYR HA H 80 4.369 4.138 0.231 1
1 369 . 17 1 1 A 46 46 TYR C C 80 176.086 176.130 -0.044 1
1 370 . 17 1 1 A 46 46 TYR CA C 80 58.284 60.085 -1.801 1
1 371 . 17 1 1 A 46 46 TYR CB C 80 38.214 38.986 -0.772 1
1 372 . 17 1 1 A 46 46 TYR N N 80 119.582 120.507 -0.925 1
1 373 . 17 1 1 A 47 47 TYR H H 81 7.918 7.890 0.028 1
1 374 . 17 1 1 A 47 47 TYR HA H 81 4.399 4.596 -0.197 1
1 378 . 17 1 1 A 47 47 TYR C C 81 176.566 174.837 1.729 1
1 379 . 17 1 1 A 47 47 TYR CA C 81 58.479 56.309 2.170 1
1 380 . 17 1 1 A 47 47 TYR CB C 81 38.042 36.180 1.862 1
1 381 . 17 1 1 A 47 47 TYR N N 81 119.336 116.106 3.230 1
1 382 . 17 1 1 A 48 48 LYS HA H 82 4.090 4.682 -0.592 1
1 383 . 17 1 1 A 48 48 LYS C C 82 176.894 176.433 0.461 1
1 384 . 17 1 1 A 48 48 LYS CA C 82 56.786 55.718 1.068 1
1 385 . 17 1 1 A 48 48 LYS CB C 82 32.306 32.712 -0.406 1
1 386 . 17 1 1 A 49 49 ALA H H 83 7.999 8.877 -0.878 1
1 387 . 17 1 1 A 49 49 ALA HA H 83 4.178 4.502 -0.324 1
1 391 . 17 1 1 A 49 49 ALA C C 83 178.193 176.664 1.529 1
1 392 . 17 1 1 A 49 49 ALA CA C 83 52.825 51.639 1.186 1
1 393 . 17 1 1 A 49 49 ALA CB C 83 18.200 19.266 -1.066 1
1 394 . 17 1 1 A 49 49 ALA N N 83 122.394 125.333 -2.939 1
1 395 . 17 1 1 A 50 50 GLN H H 84 8.006 7.896 0.110 1
1 396 . 17 1 1 A 50 50 GLN HA H 84 4.167 4.062 0.105 1
1 400 . 17 1 1 A 50 50 GLN C C 84 176.200 175.712 0.488 1
1 401 . 17 1 1 A 50 50 GLN CA C 84 56.016 56.651 -0.635 1
1 402 . 17 1 1 A 50 50 GLN CB C 84 28.467 25.991 2.476 1
1 404 . 17 1 1 A 50 50 GLN N N 84 116.623 113.329 3.294 1
1 405 . 17 1 1 A 51 51 GLN H H 85 8.085 8.424 -0.339 1
1 406 . 17 1 1 A 51 51 GLN HA H 85 4.223 4.471 -0.248 1
1 410 . 17 1 1 A 51 51 GLN CA C 85 56.393 55.585 0.808 1
1 411 . 17 1 1 A 51 51 GLN CB C 85 28.600 28.596 0.004 1
1 413 . 17 1 1 A 51 51 GLN N N 85 118.681 117.845 0.836 1
1 414 . 17 1 1 A 53 53 GLN HA H 87 4.268 4.777 -0.509 1
1 415 . 17 1 1 A 53 53 GLN C C 87 175.517 173.522 1.995 1
1 416 . 17 1 1 A 53 53 GLN CA C 87 55.821 55.301 0.520 1
1 417 . 17 1 1 A 53 53 GLN CB C 87 28.296 32.216 -3.920 1
1 418 . 17 1 1 A 54 54 THR H H 88 7.950 8.582 -0.632 1
1 419 . 17 1 1 A 54 54 THR HA H 88 4.540 4.763 -0.223 1
1 422 . 17 1 1 A 54 54 THR C C 88 172.445 173.125 -0.680 1
1 423 . 17 1 1 A 54 54 THR CA C 88 59.184 59.126 0.058 1
1 424 . 17 1 1 A 54 54 THR CB C 88 69.534 70.194 -0.660 1
1 426 . 17 1 1 A 54 54 THR N N 88 116.337 116.540 -0.203 1
1 427 . 17 1 1 A 55 55 PRO HA H 89 4.410 4.715 -0.305 1
1 431 . 17 1 1 A 55 55 PRO C C 89 3.600 177.325 -173.725 1
1 432 . 17 1 1 A 55 55 PRO CA C 89 176.508 63.139 113.369 1
1 433 . 17 1 1 A 55 55 PRO CB C 89 62.325 31.685 30.640 1
1 436 . 17 1 1 A 55 55 PRO N N 89 50.400 140.691 -90.291 1
1 437 . 17 1 1 A 56 56 ILE H H 90 8.247 8.445 -0.198 1
1 438 . 17 1 1 A 56 56 ILE HA H 90 3.993 3.693 0.300 1
1 443 . 17 1 1 A 56 56 ILE C C 90 175.132 175.413 -0.281 1
1 444 . 17 1 1 A 56 56 ILE CA C 90 60.718 61.926 -1.208 1
1 445 . 17 1 1 A 56 56 ILE CB C 90 38.277 36.495 1.782 1
1 447 . 17 1 1 A 56 56 ILE N N 90 121.921 118.987 2.934 1
1 448 . 17 1 1 A 57 57 GLY H H 91 7.820 7.889 -0.069 1
1 449 . 17 1 1 A 57 57 GLY HA2 H 91 4.550 4.085 0.465 1
1 450 . 17 1 1 A 57 57 GLY HA3 H 91 3.640 4.127 -0.487 1
1 451 . 17 1 1 A 57 57 GLY C C 91 172.184 170.617 1.567 1
1 452 . 17 1 1 A 57 57 GLY CA C 91 43.575 45.131 -1.556 1
1 453 . 17 1 1 A 57 57 GLY N N 91 110.987 110.709 0.278 1
1 454 . 17 1 1 A 58 58 TYR H H 92 8.593 8.979 -0.386 1
1 455 . 17 1 1 A 58 58 TYR HA H 92 5.166 5.330 -0.164 1
1 460 . 17 1 1 A 58 58 TYR C C 92 175.122 174.521 0.601 1
1 461 . 17 1 1 A 58 58 TYR CA C 92 56.544 56.429 0.115 1
1 462 . 17 1 1 A 58 58 TYR CB C 92 43.819 42.700 1.119 1
1 465 . 17 1 1 A 58 58 TYR N N 92 116.307 119.335 -3.028 1
1 466 . 17 1 1 A 59 59 ASN H H 93 8.964 8.599 0.365 1
1 467 . 17 1 1 A 59 59 ASN HA H 93 5.116 5.341 -0.225 1
1 470 . 17 1 1 A 59 59 ASN C C 93 173.457 173.904 -0.447 1
1 471 . 17 1 1 A 59 59 ASN CA C 93 52.717 52.383 0.334 1
1 472 . 17 1 1 A 59 59 ASN CB C 93 40.420 41.647 -1.227 1
1 473 . 17 1 1 A 59 59 ASN N N 93 119.232 120.668 -1.436 1
1 474 . 17 1 1 A 60 60 ILE H H 94 9.013 8.964 0.049 1
1 475 . 17 1 1 A 60 60 ILE HA H 94 4.383 5.216 -0.833 1
1 476 . 17 1 1 A 60 60 ILE C C 94 173.370 174.279 -0.909 1
1 477 . 17 1 1 A 60 60 ILE CA C 94 60.231 59.329 0.902 1
1 478 . 17 1 1 A 60 60 ILE CB C 94 38.728 42.409 -3.681 1
1 479 . 17 1 1 A 60 60 ILE N N 94 123.021 121.185 1.836 1
1 480 . 17 1 1 A 61 61 TYR H H 95 8.867 8.738 0.129 1
1 481 . 17 1 1 A 61 61 TYR HA H 95 5.279 5.691 -0.412 1
1 486 . 17 1 1 A 61 61 TYR C C 95 174.262 173.439 0.823 1
1 487 . 17 1 1 A 61 61 TYR CA C 95 55.732 55.309 0.423 1
1 488 . 17 1 1 A 61 61 TYR CB C 95 39.723 41.517 -1.794 1
1 491 . 17 1 1 A 61 61 TYR N N 95 125.343 121.486 3.857 1
1 492 . 17 1 1 A 62 62 THR H H 96 8.998 8.590 0.408 1
1 493 . 17 1 1 A 62 62 THR HA H 96 4.889 4.666 0.223 1
1 496 . 17 1 1 A 62 62 THR C C 96 172.708 171.633 1.075 1
1 497 . 17 1 1 A 62 62 THR CA C 96 58.248 58.057 0.191 1
1 498 . 17 1 1 A 62 62 THR CB C 96 73.097 72.688 0.409 1
1 500 . 17 1 1 A 62 62 THR N N 96 119.223 117.608 1.615 1
1 501 . 17 1 1 A 63 63 PRO HA H 97 4.410 4.626 -0.216 1
1 503 . 17 1 1 A 63 63 PRO C C 97 3.190 177.462 -174.272 1
1 504 . 17 1 1 A 63 63 PRO CA C 97 175.250 62.895 112.355 1
1 505 . 17 1 1 A 63 63 PRO CB C 97 63.642 32.355 31.287 1
1 507 . 17 1 1 A 63 63 PRO N N 97 51.700 139.731 -88.031 1
1 508 . 17 1 1 A 64 64 TYR H H 98 7.826 9.052 -1.226 1
1 509 . 17 1 1 A 64 64 TYR HA H 98 4.265 4.112 0.153 1
1 514 . 17 1 1 A 64 64 TYR C C 98 175.150 174.186 0.964 1
1 515 . 17 1 1 A 64 64 TYR CA C 98 59.434 59.826 -0.392 1
1 516 . 17 1 1 A 64 64 TYR CB C 98 37.240 36.959 0.281 1
1 518 . 17 1 1 A 64 64 TYR N N 98 122.118 124.000 -1.882 1
1 519 . 17 1 1 A 65 65 ASP H H 99 5.931 8.069 -2.138 1
1 520 . 17 1 1 A 65 65 ASP HA H 99 4.255 4.785 -0.530 1
1 523 . 17 1 1 A 65 65 ASP C C 99 176.079 175.244 0.835 1
1 524 . 17 1 1 A 65 65 ASP CA C 99 52.885 53.564 -0.679 1
1 525 . 17 1 1 A 65 65 ASP CB C 99 43.486 42.475 1.011 1
1 526 . 17 1 1 A 65 65 ASP N N 99 125.409 119.748 5.661 1
1 527 . 17 1 1 A 66 66 ASP H H 100 8.703 8.257 0.446 1
1 528 . 17 1 1 A 66 66 ASP HA H 100 4.058 4.793 -0.735 1
1 531 . 17 1 1 A 66 66 ASP C C 100 176.300 176.423 -0.123 1
1 532 . 17 1 1 A 66 66 ASP CA C 100 55.332 53.011 2.321 1
1 533 . 17 1 1 A 66 66 ASP CB C 100 40.206 40.188 0.018 1
1 534 . 17 1 1 A 66 66 ASP N N 100 128.295 118.995 9.300 1
1 535 . 17 1 1 A 67 67 ARG H H 101 8.832 7.687 1.145 1
1 536 . 17 1 1 A 67 67 ARG HA H 101 3.944 4.519 -0.575 1
1 538 . 17 1 1 A 67 67 ARG C C 101 177.624 177.361 0.263 1
1 539 . 17 1 1 A 67 67 ARG CA C 101 56.509 55.932 0.577 1
1 540 . 17 1 1 A 67 67 ARG CB C 101 31.162 30.830 0.332 1
1 541 . 17 1 1 A 67 67 ARG N N 101 117.507 118.745 -1.238 1
1 542 . 17 1 1 A 68 68 ILE H H 102 7.004 7.900 -0.896 1
1 543 . 17 1 1 A 68 68 ILE HA H 102 3.507 4.363 -0.856 1
1 548 . 17 1 1 A 68 68 ILE C C 102 174.835 175.180 -0.345 1
1 549 . 17 1 1 A 68 68 ILE CA C 102 63.638 64.572 -0.934 1
1 550 . 17 1 1 A 68 68 ILE CB C 102 36.617 38.097 -1.480 1
1 552 . 17 1 1 A 68 68 ILE N N 102 116.003 115.614 0.389 1
1 553 . 17 1 1 A 69 69 ASP H H 103 8.026 8.384 -0.358 1
1 554 . 17 1 1 A 69 69 ASP HA H 103 4.954 5.214 -0.260 1
1 557 . 17 1 1 A 69 69 ASP C C 103 175.574 174.402 1.172 1
1 558 . 17 1 1 A 69 69 ASP CA C 103 52.485 52.585 -0.100 1
1 559 . 17 1 1 A 69 69 ASP CB C 103 45.984 42.166 3.818 1
1 560 . 17 1 1 A 69 69 ASP N N 103 129.672 121.154 8.518 1
1 561 . 17 1 1 A 70 70 LYS H H 104 8.505 8.943 -0.438 1
1 562 . 17 1 1 A 70 70 LYS C C 104 175.300 175.686 -0.386 1
1 563 . 17 1 1 A 70 70 LYS CA C 104 58.027 55.922 2.105 1
1 564 . 17 1 1 A 70 70 LYS CB C 104 31.376 32.951 -1.575 1
1 565 . 17 1 1 A 70 70 LYS N N 104 119.646 126.072 -6.426 1
1 566 . 17 1 1 A 71 71 LYS H H 105 8.653 8.493 0.160 1
1 567 . 17 1 1 A 71 71 LYS HA H 105 4.513 4.007 0.506 1
1 571 . 17 1 1 A 71 71 LYS C C 105 178.190 175.051 3.139 1
1 572 . 17 1 1 A 71 71 LYS CA C 105 56.415 57.460 -1.045 1
1 573 . 17 1 1 A 71 71 LYS CB C 105 30.942 31.181 -0.239 1
1 575 . 17 1 1 A 71 71 LYS N N 105 118.554 120.959 -2.405 1
1 576 . 17 1 1 A 72 72 MET H H 106 7.596 7.343 0.253 1
1 577 . 17 1 1 A 72 72 MET HA H 106 5.019 5.376 -0.357 1
1 578 . 17 1 1 A 72 72 MET C C 106 172.309 174.360 -2.051 1
1 579 . 17 1 1 A 72 72 MET CA C 106 56.500 54.274 2.226 1
1 580 . 17 1 1 A 72 72 MET CB C 106 34.892 38.600 -3.708 1
1 581 . 17 1 1 A 72 72 MET N N 106 119.949 118.025 1.924 1
1 582 . 17 1 1 A 73 73 ARG H H 107 8.266 8.894 -0.628 1
1 583 . 17 1 1 A 73 73 ARG HA H 107 4.075 4.693 -0.618 1
1 585 . 17 1 1 A 73 73 ARG C C 107 172.995 174.500 -1.505 1
1 586 . 17 1 1 A 73 73 ARG CA C 107 53.348 55.072 -1.724 1
1 587 . 17 1 1 A 73 73 ARG CB C 107 31.579 33.763 -2.184 1
1 588 . 17 1 1 A 73 73 ARG N N 107 112.423 121.269 -8.846 1
1 589 . 17 1 1 A 74 74 VAL H H 108 8.371 8.219 0.152 1
1 590 . 17 1 1 A 74 74 VAL HA H 108 4.954 4.825 0.129 1
1 598 . 17 1 1 A 74 74 VAL C C 108 173.137 174.090 -0.953 1
1 599 . 17 1 1 A 74 74 VAL CA C 108 58.400 58.835 -0.435 1
1 600 . 17 1 1 A 74 74 VAL CB C 108 35.700 35.156 0.544 1
1 603 . 17 1 1 A 74 74 VAL N N 108 117.751 119.665 -1.914 1
1 604 . 17 1 1 A 75 75 ILE H H 109 8.644 8.457 0.187 1
1 605 . 17 1 1 A 75 75 ILE HA H 109 4.772 4.732 0.040 1
1 610 . 17 1 1 A 75 75 ILE C C 109 176.377 174.189 2.188 1
1 611 . 17 1 1 A 75 75 ILE CA C 109 57.500 60.047 -2.547 1
1 612 . 17 1 1 A 75 75 ILE CB C 109 35.550 39.302 -3.752 1
1 614 . 17 1 1 A 75 75 ILE N N 109 122.741 121.566 1.175 1
1 615 . 17 1 1 A 76 76 TYR H H 110 8.928 8.453 0.475 1
1 616 . 17 1 1 A 76 76 TYR HA H 110 4.873 4.651 0.222 1
1 621 . 17 1 1 A 76 76 TYR C C 110 173.400 176.009 -2.609 1
1 622 . 17 1 1 A 76 76 TYR CA C 110 54.699 56.569 -1.870 1
1 623 . 17 1 1 A 76 76 TYR CB C 110 40.392 36.807 3.585 1
1 626 . 17 1 1 A 76 76 TYR N N 110 129.091 128.066 1.025 1
1 627 . 17 1 1 A 77 77 ARG H H 111 9.206 9.014 0.192 1
1 628 . 17 1 1 A 77 77 ARG HA H 111 3.537 3.936 -0.399 1
1 633 . 17 1 1 A 77 77 ARG C C 111 176.065 175.273 0.792 1
1 634 . 17 1 1 A 77 77 ARG CA C 111 56.490 57.087 -0.597 1
1 635 . 17 1 1 A 77 77 ARG CB C 111 27.448 29.291 -1.843 1
1 636 . 17 1 1 A 77 77 ARG N N 111 126.774 122.886 3.888 1
1 637 . 17 1 1 A 78 78 GLY H H 112 8.155 8.335 -0.180 1
1 638 . 17 1 1 A 78 78 GLY HA2 H 112 4.040 3.806 0.234 1
1 639 . 17 1 1 A 78 78 GLY HA3 H 112 3.540 3.829 -0.289 1
1 640 . 17 1 1 A 78 78 GLY C C 112 173.810 173.837 -0.027 1
1 641 . 17 1 1 A 78 78 GLY CA C 112 45.284 45.448 -0.164 1
1 642 . 17 1 1 A 78 78 GLY N N 112 102.172 105.238 -3.066 1
1 643 . 17 1 1 A 79 79 LYS HA H 113 3.910 4.366 -0.456 1
1 644 . 17 1 1 A 79 79 LYS C C 113 174.750 175.429 -0.679 1
1 645 . 17 1 1 A 79 79 LYS CA C 113 53.808 55.514 -1.706 1
1 646 . 17 1 1 A 79 79 LYS CB C 113 33.298 32.588 0.710 1
1 647 . 17 1 1 A 80 80 ILE H H 114 8.484 8.661 -0.177 1
1 648 . 17 1 1 A 80 80 ILE HA H 114 3.860 4.680 -0.820 1
1 653 . 17 1 1 A 80 80 ILE C C 114 174.732 175.141 -0.409 1
1 654 . 17 1 1 A 80 80 ILE CA C 114 61.130 60.309 0.821 1
1 655 . 17 1 1 A 80 80 ILE CB C 114 37.740 38.813 -1.073 1
1 657 . 17 1 1 A 80 80 ILE N N 114 121.186 122.177 -0.991 1
1 658 . 17 1 1 A 81 81 VAL H H 115 9.395 8.367 1.028 1
1 659 . 17 1 1 A 81 81 VAL HA H 115 4.645 4.479 0.166 1
1 664 . 17 1 1 A 81 81 VAL C C 115 174.934 174.062 0.872 1
1 665 . 17 1 1 A 81 81 VAL CA C 115 60.401 60.362 0.039 1
1 666 . 17 1 1 A 81 81 VAL CB C 115 32.142 35.550 -3.408 1
1 668 . 17 1 1 A 81 81 VAL N N 115 129.212 127.363 1.849 1
1 669 . 17 1 1 A 82 82 THR H H 116 8.661 8.435 0.226 1
1 670 . 17 1 1 A 82 82 THR HA H 116 4.483 4.665 -0.182 1
1 673 . 17 1 1 A 82 82 THR C C 116 175.000 173.669 1.331 1
1 674 . 17 1 1 A 82 82 THR CA C 116 59.911 61.657 -1.746 1
1 675 . 17 1 1 A 82 82 THR CB C 116 69.844 70.442 -0.598 1
1 677 . 17 1 1 A 82 82 THR N N 116 120.129 122.738 -2.609 1
1 678 . 17 1 1 A 83 83 PHE H H 117 9.153 8.347 0.806 1
1 679 . 17 1 1 A 83 83 PHE HA H 117 5.003 5.312 -0.309 1
1 681 . 17 1 1 A 83 83 PHE C C 117 177.126 172.160 4.966 1
1 682 . 17 1 1 A 83 83 PHE CA C 117 55.003 56.003 -1.000 1
1 683 . 17 1 1 A 83 83 PHE CB C 117 37.018 41.260 -4.242 1
1 684 . 17 1 1 A 83 83 PHE N N 117 123.251 121.852 1.399 1
1 685 . 17 1 1 A 84 84 ILE H H 118 8.882 8.866 0.016 1
1 686 . 17 1 1 A 84 84 ILE HA H 118 4.320 5.231 -0.911 1
1 695 . 17 1 1 A 84 84 ILE C C 118 175.958 174.701 1.257 1
1 696 . 17 1 1 A 84 84 ILE CA C 118 60.275 59.385 0.890 1
1 697 . 17 1 1 A 84 84 ILE CB C 118 37.057 42.712 -5.655 1
1 700 . 17 1 1 A 84 84 ILE N N 118 122.450 121.584 0.866 1
1 701 . 17 1 1 A 85 85 GLY H H 119 8.198 8.206 -0.008 1
1 702 . 17 1 1 A 85 85 GLY HA2 H 119 4.050 4.221 -0.171 1
1 703 . 17 1 1 A 85 85 GLY HA3 H 119 3.900 4.239 -0.339 1
1 704 . 17 1 1 A 85 85 GLY C C 119 172.376 171.345 1.031 1
1 705 . 17 1 1 A 85 85 GLY CA C 119 44.033 45.856 -1.823 1
1 706 . 17 1 1 A 85 85 GLY N N 119 112.995 113.755 -0.760 1
1 707 . 17 1 1 A 86 86 ASP H H 120 8.132 8.836 -0.704 1
1 708 . 17 1 1 A 86 86 ASP HA H 120 4.938 5.271 -0.333 1
1 711 . 17 1 1 A 86 86 ASP C C 120 175.418 174.345 1.073 1
1 712 . 17 1 1 A 86 86 ASP CA C 120 52.656 50.656 2.000 1
1 713 . 17 1 1 A 86 86 ASP CB C 120 40.163 44.250 -4.087 1
1 714 . 17 1 1 A 86 86 ASP N N 120 119.130 120.127 -0.997 1
1 715 . 17 1 1 A 87 87 PRO HA H 121 4.470 4.959 -0.489 1
1 719 . 17 1 1 A 87 87 PRO CA C 121 175.750 62.278 113.472 1
1 720 . 17 1 1 A 87 87 PRO CB C 121 62.414 32.599 29.815 1
1 723 . 17 1 1 A 87 87 PRO N N 121 49.700 137.560 -87.860 1
1 724 . 17 1 1 A 88 88 VAL H H 122 8.707 8.925 -0.218 1
1 725 . 17 1 1 A 88 88 VAL HA H 122 4.400 4.841 -0.441 1
1 733 . 17 1 1 A 88 88 VAL C C 122 174.250 174.242 0.008 1
1 734 . 17 1 1 A 88 88 VAL CA C 122 60.598 59.595 1.003 1
1 735 . 17 1 1 A 88 88 VAL CB C 122 34.847 35.256 -0.409 1
1 738 . 17 1 1 A 88 88 VAL N N 122 121.987 121.087 0.900 1
1 739 . 17 1 1 A 89 89 ASP H H 123 8.437 8.476 -0.039 1
1 740 . 17 1 1 A 89 89 ASP HA H 123 5.068 5.076 -0.008 1
1 743 . 17 1 1 A 89 89 ASP C C 123 177.435 176.760 0.675 1
1 744 . 17 1 1 A 89 89 ASP CA C 123 52.751 52.391 0.360 1
1 745 . 17 1 1 A 89 89 ASP CB C 123 40.191 42.283 -2.092 1
1 746 . 17 1 1 A 89 89 ASP N N 123 125.856 127.376 -1.520 1
1 747 . 17 1 1 A 90 90 LEU H H 124 8.793 8.764 0.029 1
1 748 . 17 1 1 A 90 90 LEU HA H 124 4.047 4.488 -0.441 1
1 749 . 17 1 1 A 90 90 LEU CA C 124 56.836 54.768 2.068 1
1 750 . 17 1 1 A 90 90 LEU CB C 124 41.301 42.433 -1.132 1
1 751 . 17 1 1 A 90 90 LEU N N 124 128.178 122.106 6.072 1
1 752 . 17 1 1 A 91 91 SER H H 125 8.927 8.361 0.566 1
1 753 . 17 1 1 A 91 91 SER HA H 125 4.287 4.565 -0.278 1
1 754 . 17 1 1 A 91 91 SER C C 125 173.984 174.573 -0.589 1
1 755 . 17 1 1 A 91 91 SER CA C 125 58.498 60.364 -1.866 1
1 756 . 17 1 1 A 91 91 SER CB C 125 63.600 62.265 1.335 1
1 757 . 17 1 1 A 91 91 SER N N 125 115.226 114.112 1.114 1
1 758 . 17 1 1 A 92 92 GLY H H 126 8.250 8.585 -0.335 1
1 759 . 17 1 1 A 92 92 GLY HA2 H 126 3.950 3.990 -0.040 1
1 760 . 17 1 1 A 92 92 GLY HA3 H 126 3.670 4.019 -0.349 1
1 761 . 17 1 1 A 92 92 GLY C C 126 174.700 174.371 0.329 1
1 762 . 17 1 1 A 92 92 GLY CA C 126 45.900 45.268 0.632 1
1 763 . 17 1 1 A 92 92 GLY N N 126 109.395 113.109 -3.714 1
1 764 . 17 1 1 A 94 94 GLN C C 128 174.459 175.603 -1.144 1
1 765 . 17 1 1 A 94 94 GLN CA C 128 56.434 57.293 -0.859 1
1 766 . 17 1 1 A 94 94 GLN CB C 128 25.491 27.699 -2.208 1
1 767 . 17 1 1 A 95 95 GLU H H 129 8.474 8.892 -0.418 1
1 768 . 17 1 1 A 95 95 GLU HA H 129 4.596 4.297 0.299 1
1 772 . 17 1 1 A 95 95 GLU C C 129 177.559 175.112 2.447 1
1 773 . 17 1 1 A 95 95 GLU CA C 129 57.183 56.233 0.950 1
1 774 . 17 1 1 A 95 95 GLU CB C 129 31.432 27.988 3.444 1
1 775 . 17 1 1 A 95 95 GLU N N 129 115.145 123.838 -8.693 1
1 776 . 17 1 1 A 96 96 ILE H H 130 9.393 8.139 1.254 1
1 777 . 17 1 1 A 96 96 ILE HA H 130 4.660 5.128 -0.468 1
1 782 . 17 1 1 A 96 96 ILE C C 130 173.821 175.313 -1.492 1
1 783 . 17 1 1 A 96 96 ILE CA C 130 59.481 59.458 0.023 1
1 784 . 17 1 1 A 96 96 ILE CB C 130 41.386 40.997 0.389 1
1 785 . 17 1 1 A 96 96 ILE N N 130 124.603 116.083 8.520 1
1 786 . 17 1 1 A 97 97 THR H H 131 9.341 8.884 0.457 1
1 787 . 17 1 1 A 97 97 THR HA H 131 5.135 5.412 -0.277 1
1 790 . 17 1 1 A 97 97 THR C C 131 172.742 172.661 0.081 1
1 791 . 17 1 1 A 97 97 THR CA C 131 62.458 59.676 2.782 1
1 792 . 17 1 1 A 97 97 THR CB C 131 69.995 71.145 -1.150 1
1 794 . 17 1 1 A 97 97 THR N N 131 125.280 118.166 7.114 1
1 795 . 17 1 1 A 98 98 ARG H H 132 9.286 9.227 0.059 1
1 796 . 17 1 1 A 98 98 ARG HA H 132 5.263 5.212 0.051 1
1 802 . 17 1 1 A 98 98 ARG C C 132 175.462 174.590 0.872 1
1 803 . 17 1 1 A 98 98 ARG CA C 132 53.122 54.480 -1.358 1
1 804 . 17 1 1 A 98 98 ARG CB C 132 32.555 33.618 -1.063 1
1 805 . 17 1 1 A 98 98 ARG N N 132 126.525 122.549 3.976 1
1 806 . 17 1 1 A 99 99 ILE H H 133 9.338 8.894 0.444 1
1 807 . 17 1 1 A 99 99 ILE HA H 133 3.959 4.893 -0.934 1
1 816 . 17 1 1 A 99 99 ILE C C 133 173.860 175.359 -1.499 1
1 817 . 17 1 1 A 99 99 ILE CA C 133 59.719 60.066 -0.347 1
1 818 . 17 1 1 A 99 99 ILE CB C 133 41.429 40.945 0.484 1
1 821 . 17 1 1 A 99 99 ILE N N 133 129.483 126.468 3.015 1
1 822 . 17 1 1 A 100 100 LYS H H 134 8.457 8.987 -0.530 1
1 823 . 17 1 1 A 100 100 LYS HA H 134 4.990 4.939 0.051 1
1 824 . 17 1 1 A 100 100 LYS C C 134 175.750 175.491 0.259 1
1 825 . 17 1 1 A 100 100 LYS CA C 134 54.548 54.817 -0.269 1
1 826 . 17 1 1 A 100 100 LYS CB C 134 32.800 34.308 -1.508 1
1 827 . 17 1 1 A 100 100 LYS N N 134 128.506 126.481 2.025 1
1 828 . 17 1 1 A 101 101 GLY H H 135 8.968 8.930 0.038 1
1 829 . 17 1 1 A 101 101 GLY HA2 H 135 5.350 4.270 1.080 1
1 830 . 17 1 1 A 101 101 GLY HA3 H 135 3.290 4.301 -1.011 1
1 831 . 17 1 1 A 101 101 GLY C C 135 171.558 171.762 -0.204 1
1 832 . 17 1 1 A 101 101 GLY CA C 135 44.286 44.562 -0.276 1
1 833 . 17 1 1 A 101 101 GLY N N 135 110.167 112.274 -2.107 1
1 834 . 17 1 1 A 102 102 LYS H H 136 9.158 8.839 0.319 1
1 835 . 17 1 1 A 102 102 LYS C C 136 174.516 174.862 -0.346 1
1 836 . 17 1 1 A 102 102 LYS CA C 136 53.781 54.331 -0.550 1
1 837 . 17 1 1 A 102 102 LYS CB C 136 34.807 36.733 -1.926 1
1 838 . 17 1 1 A 102 102 LYS N N 136 119.838 124.198 -4.360 1
1 839 . 17 1 1 A 103 103 GLU H H 137 8.711 9.102 -0.391 1
1 840 . 17 1 1 A 103 103 GLU HA H 137 4.709 5.170 -0.461 1
1 841 . 17 1 1 A 103 103 GLU C C 137 176.875 175.254 1.621 1
1 842 . 17 1 1 A 103 103 GLU CA C 137 56.833 54.749 2.084 1
1 843 . 17 1 1 A 103 103 GLU CB C 137 30.640 33.117 -2.477 1
1 844 . 17 1 1 A 103 103 GLU N N 137 124.293 120.586 3.707 1
1 845 . 17 1 1 A 104 104 ASP H H 138 9.334 9.009 0.325 1
1 846 . 17 1 1 A 104 104 ASP HA H 138 4.954 4.897 0.057 1
1 849 . 17 1 1 A 104 104 ASP C C 138 175.340 175.601 -0.261 1
1 850 . 17 1 1 A 104 104 ASP CA C 138 53.107 53.398 -0.291 1
1 851 . 17 1 1 A 104 104 ASP CB C 138 42.374 40.219 2.155 1
1 852 . 17 1 1 A 104 104 ASP N N 138 127.542 122.995 4.547 1
1 853 . 17 1 1 A 105 105 GLY H H 139 7.732 8.134 -0.402 1
1 854 . 17 1 1 A 105 105 GLY HA2 H 139 4.360 4.057 0.303 1
1 855 . 17 1 1 A 105 105 GLY HA3 H 139 3.800 4.061 -0.261 1
1 856 . 17 1 1 A 105 105 GLY C C 139 172.374 173.939 -1.565 1
1 857 . 17 1 1 A 105 105 GLY CA C 139 43.800 44.401 -0.601 1
1 858 . 17 1 1 A 105 105 GLY N N 139 106.466 109.691 -3.225 1
1 859 . 17 1 1 A 106 106 ALA H H 140 8.191 8.772 -0.581 1
1 860 . 17 1 1 A 106 106 ALA HA H 140 4.564 3.952 0.612 1
1 864 . 17 1 1 A 106 106 ALA C C 140 177.004 175.949 1.055 1
1 865 . 17 1 1 A 106 106 ALA CA C 140 51.406 55.052 -3.646 1
1 866 . 17 1 1 A 106 106 ALA CB C 140 19.500 17.791 1.709 1
1 867 . 17 1 1 A 106 106 ALA N N 140 120.674 122.925 -2.251 1
1 868 . 17 1 1 A 107 107 TYR H H 141 8.458 7.937 0.521 1
1 869 . 17 1 1 A 107 107 TYR HA H 141 4.578 4.800 -0.222 1
1 873 . 17 1 1 A 107 107 TYR C C 141 174.746 174.139 0.607 1
1 874 . 17 1 1 A 107 107 TYR CA C 141 56.554 55.957 0.597 1
1 875 . 17 1 1 A 107 107 TYR CB C 141 38.649 37.892 0.757 1
1 878 . 17 1 1 A 107 107 TYR N N 141 121.312 118.953 2.359 1
1 879 . 17 1 1 A 108 108 VAL H H 142 7.941 8.357 -0.416 1
1 880 . 17 1 1 A 108 108 VAL HA H 142 4.008 4.849 -0.841 1
1 888 . 17 1 1 A 108 108 VAL C C 142 174.701 174.615 0.086 1
1 889 . 17 1 1 A 108 108 VAL CA C 142 60.912 60.095 0.817 1
1 890 . 17 1 1 A 108 108 VAL CB C 142 32.065 34.713 -2.648 1
1 893 . 17 1 1 A 108 108 VAL N N 142 125.257 124.038 1.219 1
1 9 . 18 1 1 A 2 2 TYR H H 36 7.537 8.073 -0.536 1
1 10 . 18 1 1 A 2 2 TYR HA H 36 3.945 4.205 -0.260 1
1 15 . 18 1 1 A 2 2 TYR C C 36 176.000 175.460 0.540 1
1 16 . 18 1 1 A 2 2 TYR CA C 36 57.871 59.092 -1.221 1
1 17 . 18 1 1 A 2 2 TYR CB C 36 37.248 36.984 0.264 1
1 18 . 18 1 1 A 2 2 TYR N N 36 117.048 116.742 0.306 1
1 19 . 18 1 1 A 3 3 GLU H H 37 7.718 8.403 -0.685 1
1 20 . 18 1 1 A 3 3 GLU HA H 37 4.025 4.578 -0.553 1
1 24 . 18 1 1 A 3 3 GLU C C 37 176.100 175.555 0.545 1
1 25 . 18 1 1 A 3 3 GLU CA C 37 56.788 55.987 0.801 1
1 26 . 18 1 1 A 3 3 GLU CB C 37 29.527 28.460 1.067 1
1 28 . 18 1 1 A 3 3 GLU N N 37 118.925 118.303 0.622 1
1 29 . 18 1 1 A 4 4 GLU H H 38 7.866 7.633 0.233 1
1 30 . 18 1 1 A 4 4 GLU HA H 38 4.215 4.780 -0.565 1
1 35 . 18 1 1 A 4 4 GLU C C 38 176.205 175.620 0.585 1
1 36 . 18 1 1 A 4 4 GLU CA C 38 55.595 56.313 -0.718 1
1 37 . 18 1 1 A 4 4 GLU CB C 38 29.162 31.076 -1.914 1
1 38 . 18 1 1 A 4 4 GLU N N 38 116.623 117.019 -0.396 1
1 39 . 18 1 1 A 5 5 PHE H H 39 8.087 7.891 0.196 1
1 40 . 18 1 1 A 5 5 PHE HA H 39 4.780 4.806 -0.026 1
1 46 . 18 1 1 A 5 5 PHE C C 39 176.758 175.093 1.665 1
1 47 . 18 1 1 A 5 5 PHE CA C 39 54.914 58.122 -3.208 1
1 48 . 18 1 1 A 5 5 PHE CB C 39 36.531 40.153 -3.622 1
1 49 . 18 1 1 A 5 5 PHE N N 39 121.852 117.829 4.023 1
1 50 . 18 1 1 A 6 6 ARG HA H 40 4.515 4.242 0.273 1
1 51 . 18 1 1 A 6 6 ARG C C 40 176.376 174.820 1.556 1
1 52 . 18 1 1 A 6 6 ARG CA C 40 56.288 56.853 -0.565 1
1 53 . 18 1 1 A 6 6 ARG CB C 40 31.100 31.235 -0.135 1
1 54 . 18 1 1 A 7 7 ASP H H 41 8.851 7.715 1.136 1
1 55 . 18 1 1 A 7 7 ASP HA H 41 5.182 5.161 0.021 1
1 57 . 18 1 1 A 7 7 ASP C C 41 175.379 174.218 1.161 1
1 58 . 18 1 1 A 7 7 ASP CA C 41 53.324 52.844 0.480 1
1 59 . 18 1 1 A 7 7 ASP CB C 41 44.292 44.707 -0.415 1
1 60 . 18 1 1 A 7 7 ASP N N 41 119.795 118.129 1.666 1
1 61 . 18 1 1 A 8 8 VAL H H 42 8.580 8.753 -0.173 1
1 62 . 18 1 1 A 8 8 VAL HA H 42 4.856 4.858 -0.002 1
1 70 . 18 1 1 A 8 8 VAL C C 42 175.170 175.394 -0.224 1
1 71 . 18 1 1 A 8 8 VAL CA C 42 61.398 61.098 0.300 1
1 72 . 18 1 1 A 8 8 VAL CB C 42 33.643 33.132 0.511 1
1 75 . 18 1 1 A 8 8 VAL N N 42 120.042 120.599 -0.557 1
1 76 . 18 1 1 A 9 9 ILE H H 43 8.765 9.551 -0.786 1
1 77 . 18 1 1 A 9 9 ILE HA H 43 4.939 4.706 0.233 1
1 79 . 18 1 1 A 9 9 ILE C C 43 173.755 175.251 -1.496 1
1 80 . 18 1 1 A 9 9 ILE CA C 43 58.528 59.901 -1.373 1
1 81 . 18 1 1 A 9 9 ILE CB C 43 40.437 40.179 0.258 1
1 82 . 18 1 1 A 9 9 ILE N N 43 117.778 127.715 -9.937 1
1 83 . 18 1 1 A 10 10 THR H H 44 7.834 8.077 -0.243 1
1 84 . 18 1 1 A 10 10 THR HA H 44 4.709 4.897 -0.188 1
1 87 . 18 1 1 A 10 10 THR C C 44 173.691 173.559 0.132 1
1 88 . 18 1 1 A 10 10 THR CA C 44 61.662 60.959 0.703 1
1 89 . 18 1 1 A 10 10 THR CB C 44 70.906 70.510 0.396 1
1 91 . 18 1 1 A 10 10 THR N N 44 116.613 120.284 -3.671 1
1 92 . 18 1 1 A 11 11 PHE H H 45 8.821 8.865 -0.044 1
1 93 . 18 1 1 A 11 11 PHE HA H 45 4.807 5.133 -0.326 1
1 94 . 18 1 1 A 11 11 PHE C C 45 175.619 173.913 1.706 1
1 95 . 18 1 1 A 11 11 PHE CA C 45 57.779 55.929 1.850 1
1 96 . 18 1 1 A 11 11 PHE CB C 45 39.649 40.843 -1.194 1
1 97 . 18 1 1 A 11 11 PHE N N 45 125.155 124.995 0.160 1
1 98 . 18 1 1 A 12 12 GLN H H 46 9.103 8.707 0.396 1
1 99 . 18 1 1 A 12 12 GLN HA H 46 5.573 5.239 0.334 1
1 103 . 18 1 1 A 12 12 GLN C C 46 175.011 174.103 0.908 1
1 104 . 18 1 1 A 12 12 GLN CA C 46 54.423 54.191 0.232 1
1 105 . 18 1 1 A 12 12 GLN CB C 46 34.467 32.597 1.870 1
1 106 . 18 1 1 A 12 12 GLN N N 46 119.069 123.501 -4.432 1
1 107 . 18 1 1 A 13 13 SER H H 47 8.730 9.355 -0.625 1
1 108 . 18 1 1 A 13 13 SER HA H 47 5.229 5.540 -0.311 1
1 110 . 18 1 1 A 13 13 SER C C 47 171.559 171.915 -0.356 1
1 111 . 18 1 1 A 13 13 SER CA C 47 56.514 56.331 0.183 1
1 112 . 18 1 1 A 13 13 SER CB C 47 66.075 67.007 -0.932 1
1 113 . 18 1 1 A 13 13 SER N N 47 114.734 119.004 -4.270 1
1 114 . 18 1 1 A 14 14 TYR H H 48 8.544 8.893 -0.349 1
1 115 . 18 1 1 A 14 14 TYR HA H 48 4.256 4.767 -0.511 1
1 120 . 18 1 1 A 14 14 TYR C C 48 175.437 173.716 1.721 1
1 121 . 18 1 1 A 14 14 TYR CA C 48 56.137 55.920 0.217 1
1 122 . 18 1 1 A 14 14 TYR CB C 48 36.242 40.446 -4.204 1
1 125 . 18 1 1 A 14 14 TYR N N 48 126.962 126.681 0.281 1
1 126 . 18 1 1 A 15 15 VAL H H 49 8.537 8.882 -0.345 1
1 127 . 18 1 1 A 15 15 VAL HA H 49 4.360 4.625 -0.265 1
1 132 . 18 1 1 A 15 15 VAL C C 49 174.600 174.653 -0.053 1
1 133 . 18 1 1 A 15 15 VAL CA C 49 62.600 61.192 1.408 1
1 134 . 18 1 1 A 15 15 VAL CB C 49 35.100 32.885 2.215 1
1 136 . 18 1 1 A 15 15 VAL N N 49 123.837 128.119 -4.282 1
1 137 . 18 1 1 A 16 16 GLU H H 50 8.296 8.827 -0.531 1
1 138 . 18 1 1 A 16 16 GLU HA H 50 3.702 4.621 -0.919 1
1 142 . 18 1 1 A 16 16 GLU C C 50 175.947 175.332 0.615 1
1 143 . 18 1 1 A 16 16 GLU CA C 50 55.400 54.934 0.466 1
1 144 . 18 1 1 A 16 16 GLU CB C 50 30.100 32.208 -2.108 1
1 145 . 18 1 1 A 16 16 GLU N N 50 124.989 124.178 0.811 1
1 146 . 18 1 1 A 17 17 GLN H H 51 8.529 8.407 0.122 1
1 147 . 18 1 1 A 17 17 GLN HA H 51 4.415 4.564 -0.149 1
1 151 . 18 1 1 A 17 17 GLN C C 51 175.122 175.245 -0.123 1
1 152 . 18 1 1 A 17 17 GLN CA C 51 54.060 54.844 -0.784 1
1 153 . 18 1 1 A 17 17 GLN CB C 51 29.943 28.862 1.081 1
1 155 . 18 1 1 A 17 17 GLN N N 51 124.656 117.451 7.205 1
1 156 . 18 1 1 A 18 18 SER HA H 52 4.420 4.024 0.396 1
1 157 . 18 1 1 A 18 18 SER C C 52 173.505 173.090 0.415 1
1 158 . 18 1 1 A 18 18 SER CA C 52 58.279 59.207 -0.928 1
1 159 . 18 1 1 A 18 18 SER CB C 52 63.835 61.784 2.051 1
1 160 . 18 1 1 A 19 19 ASN H H 53 8.109 7.606 0.503 1
1 161 . 18 1 1 A 19 19 ASN HA H 53 4.399 5.169 -0.770 1
1 164 . 18 1 1 A 19 19 ASN C C 53 179.837 175.652 4.185 1
1 165 . 18 1 1 A 19 19 ASN CA C 53 54.664 51.377 3.287 1
1 166 . 18 1 1 A 19 19 ASN CB C 53 39.983 41.439 -1.456 1
1 167 . 18 1 1 A 19 19 ASN N N 53 126.199 114.972 11.227 1
1 168 . 18 1 1 A 20 20 GLY H H 54 8.166 8.618 -0.452 1
1 169 . 18 1 1 A 20 20 GLY HA2 H 54 3.911 3.947 -0.036 1
1 170 . 18 1 1 A 20 20 GLY C C 54 174.876 174.739 0.137 1
1 171 . 18 1 1 A 20 20 GLY CA C 54 45.206 46.751 -1.545 1
1 172 . 18 1 1 A 20 20 GLY N N 54 113.067 108.607 4.460 1
1 173 . 18 1 1 A 22 22 GLY CA C 56 45.279 46.067 -0.788 1
1 174 . 18 1 1 A 23 23 GLY H H 57 8.235 8.401 -0.166 1
1 175 . 18 1 1 A 23 23 GLY HA2 H 57 3.929 3.888 0.041 1
1 176 . 18 1 1 A 23 23 GLY C C 57 173.796 174.096 -0.300 1
1 177 . 18 1 1 A 23 23 GLY CA C 57 45.348 46.187 -0.839 1
1 178 . 18 1 1 A 23 23 GLY N N 57 108.389 107.870 0.519 1
1 179 . 18 1 1 A 24 24 LYS HA H 58 4.804 3.836 0.968 1
1 180 . 18 1 1 A 24 24 LYS C C 58 175.908 174.930 0.978 1
1 181 . 18 1 1 A 24 24 LYS CA C 58 54.833 57.819 -2.986 1
1 182 . 18 1 1 A 24 24 LYS CB C 58 34.402 30.553 3.849 1
1 183 . 18 1 1 A 25 25 THR H H 59 8.413 7.873 0.540 1
1 184 . 18 1 1 A 25 25 THR HA H 59 4.482 4.912 -0.430 1
1 187 . 18 1 1 A 25 25 THR C C 59 171.934 172.597 -0.663 1
1 188 . 18 1 1 A 25 25 THR CA C 59 60.144 61.440 -1.296 1
1 189 . 18 1 1 A 25 25 THR CB C 59 71.035 70.967 0.068 1
1 191 . 18 1 1 A 25 25 THR N N 59 115.947 111.637 4.310 1
1 192 . 18 1 1 A 26 26 TYR H H 60 8.182 9.009 -0.827 1
1 193 . 18 1 1 A 26 26 TYR HA H 60 4.883 5.109 -0.226 1
1 198 . 18 1 1 A 26 26 TYR C C 60 173.593 174.348 -0.755 1
1 199 . 18 1 1 A 26 26 TYR CA C 60 54.043 56.093 -2.050 1
1 200 . 18 1 1 A 26 26 TYR CB C 60 40.100 42.158 -2.058 1
1 202 . 18 1 1 A 26 26 TYR N N 60 121.985 125.156 -3.171 1
1 203 . 18 1 1 A 27 27 LYS H H 61 8.385 8.723 -0.338 1
1 204 . 18 1 1 A 27 27 LYS HA H 61 4.563 5.107 -0.544 1
1 205 . 18 1 1 A 27 27 LYS C C 61 174.186 174.372 -0.186 1
1 206 . 18 1 1 A 27 27 LYS CA C 61 54.589 55.331 -0.742 1
1 207 . 18 1 1 A 27 27 LYS CB C 61 35.801 36.506 -0.705 1
1 208 . 18 1 1 A 27 27 LYS N N 61 120.203 122.107 -1.904 1
1 209 . 18 1 1 A 28 28 TRP H H 62 8.524 8.634 -0.110 1
1 210 . 18 1 1 A 28 28 TRP HA H 62 5.361 5.595 -0.234 1
1 215 . 18 1 1 A 28 28 TRP C C 62 176.934 175.955 0.979 1
1 216 . 18 1 1 A 28 28 TRP CA C 62 56.499 55.325 1.174 1
1 217 . 18 1 1 A 28 28 TRP CB C 62 29.300 32.123 -2.823 1
1 218 . 18 1 1 A 28 28 TRP N N 62 122.913 125.280 -2.367 1
1 220 . 18 1 1 A 29 29 VAL H H 63 9.470 9.074 0.396 1
1 221 . 18 1 1 A 29 29 VAL HA H 63 4.626 4.847 -0.221 1
1 229 . 18 1 1 A 29 29 VAL C C 63 175.264 174.299 0.965 1
1 230 . 18 1 1 A 29 29 VAL CA C 63 59.163 60.369 -1.206 1
1 231 . 18 1 1 A 29 29 VAL CB C 63 34.759 35.828 -1.069 1
1 234 . 18 1 1 A 29 29 VAL N N 63 120.454 123.113 -2.659 1
1 235 . 18 1 1 A 30 30 ASP H H 64 8.576 8.947 -0.371 1
1 236 . 18 1 1 A 30 30 ASP HA H 64 4.386 4.848 -0.462 1
1 237 . 18 1 1 A 30 30 ASP C C 64 174.186 176.010 -1.824 1
1 238 . 18 1 1 A 30 30 ASP CA C 64 55.907 53.957 1.950 1
1 239 . 18 1 1 A 30 30 ASP CB C 64 39.942 41.668 -1.726 1
1 240 . 18 1 1 A 30 30 ASP N N 64 123.588 126.482 -2.894 1
1 241 . 18 1 1 A 31 31 GLU H H 65 9.482 9.065 0.417 1
1 242 . 18 1 1 A 31 31 GLU HA H 65 4.674 4.534 0.140 1
1 246 . 18 1 1 A 31 31 GLU C C 65 176.000 177.039 -1.039 1
1 247 . 18 1 1 A 31 31 GLU CA C 65 57.263 58.389 -1.126 1
1 248 . 18 1 1 A 31 31 GLU CB C 65 30.200 31.212 -1.012 1
1 250 . 18 1 1 A 31 31 GLU N N 65 124.008 124.137 -0.129 1
1 251 . 18 1 1 A 32 32 PHE H H 66 7.257 7.271 -0.014 1
1 252 . 18 1 1 A 32 32 PHE HA H 66 4.940 5.050 -0.110 1
1 254 . 18 1 1 A 32 32 PHE C C 66 172.742 172.684 0.058 1
1 255 . 18 1 1 A 32 32 PHE CA C 66 56.316 56.653 -0.337 1
1 256 . 18 1 1 A 32 32 PHE CB C 66 38.948 40.768 -1.820 1
1 257 . 18 1 1 A 32 32 PHE N N 66 110.866 114.334 -3.468 1
1 258 . 18 1 1 A 33 33 THR H H 67 8.603 8.880 -0.277 1
1 259 . 18 1 1 A 33 33 THR HA H 67 5.377 5.167 0.210 1
1 262 . 18 1 1 A 33 33 THR C C 67 173.388 172.531 0.857 1
1 263 . 18 1 1 A 33 33 THR CA C 67 60.207 60.361 -0.154 1
1 264 . 18 1 1 A 33 33 THR CB C 67 71.620 71.586 0.034 1
1 266 . 18 1 1 A 33 33 THR N N 67 114.847 114.750 0.097 1
1 267 . 18 1 1 A 34 34 ALA H H 68 9.185 8.570 0.615 1
1 268 . 18 1 1 A 34 34 ALA HA H 68 4.873 4.946 -0.073 1
1 272 . 18 1 1 A 34 34 ALA C C 68 174.999 175.846 -0.847 1
1 273 . 18 1 1 A 34 34 ALA CA C 68 50.660 51.457 -0.797 1
1 274 . 18 1 1 A 34 34 ALA CB C 68 23.911 24.106 -0.195 1
1 275 . 18 1 1 A 34 34 ALA N N 68 125.817 129.652 -3.835 1
1 276 . 18 1 1 A 35 35 ALA H H 69 8.347 8.561 -0.214 1
1 277 . 18 1 1 A 35 35 ALA HA H 69 4.889 4.797 0.092 1
1 281 . 18 1 1 A 35 35 ALA C C 69 176.937 176.975 -0.038 1
1 282 . 18 1 1 A 35 35 ALA CA C 69 51.329 51.645 -0.316 1
1 283 . 18 1 1 A 35 35 ALA CB C 69 19.210 20.008 -0.798 1
1 284 . 18 1 1 A 35 35 ALA N N 69 122.342 122.474 -0.132 1
1 285 . 18 1 1 A 36 36 ALA H H 70 8.468 8.750 -0.282 1
1 286 . 18 1 1 A 36 36 ALA HA H 70 4.996 4.747 0.249 1
1 290 . 18 1 1 A 36 36 ALA C C 70 175.102 174.901 0.201 1
1 291 . 18 1 1 A 36 36 ALA CA C 70 50.876 51.477 -0.601 1
1 292 . 18 1 1 A 36 36 ALA CB C 70 23.556 23.174 0.382 1
1 293 . 18 1 1 A 36 36 ALA N N 70 120.267 125.683 -5.416 1
1 294 . 18 1 1 A 37 37 HIS H H 71 9.136 8.210 0.926 1
1 295 . 18 1 1 A 37 37 HIS HA H 71 5.343 4.659 0.684 1
1 298 . 18 1 1 A 37 37 HIS C C 71 174.002 173.060 0.942 1
1 299 . 18 1 1 A 37 37 HIS CA C 71 54.803 53.491 1.312 1
1 300 . 18 1 1 A 37 37 HIS CB C 71 32.322 30.800 1.522 1
1 301 . 18 1 1 A 37 37 HIS N N 71 119.360 120.490 -1.130 1
1 302 . 18 1 1 A 38 38 VAL H H 72 8.557 8.791 -0.234 1
1 303 . 18 1 1 A 38 38 VAL HA H 72 4.174 4.347 -0.173 1
1 311 . 18 1 1 A 38 38 VAL C C 72 174.000 174.477 -0.477 1
1 312 . 18 1 1 A 38 38 VAL CA C 72 61.587 61.099 0.488 1
1 313 . 18 1 1 A 38 38 VAL CB C 72 31.381 31.922 -0.541 1
1 316 . 18 1 1 A 38 38 VAL N N 72 127.947 128.434 -0.487 1
1 317 . 18 1 1 A 39 39 GLN H H 73 8.971 8.461 0.510 1
1 318 . 18 1 1 A 39 39 GLN HA H 73 5.019 4.645 0.374 1
1 321 . 18 1 1 A 39 39 GLN C C 73 173.260 173.173 0.087 1
1 322 . 18 1 1 A 39 39 GLN CA C 73 51.310 52.774 -1.464 1
1 323 . 18 1 1 A 39 39 GLN CB C 73 30.955 30.699 0.256 1
1 324 . 18 1 1 A 39 39 GLN N N 73 127.985 124.895 3.090 1
1 325 . 18 1 1 A 40 40 PRO HA H 74 4.707 3.455 1.252 1
1 329 . 18 1 1 A 40 40 PRO C C 74 3.820 176.322 -172.502 1
1 330 . 18 1 1 A 40 40 PRO CA C 74 176.828 61.766 115.062 1
1 331 . 18 1 1 A 40 40 PRO CB C 74 62.215 31.819 30.396 1
1 333 . 18 1 1 A 40 40 PRO N N 74 50.800 134.541 -83.741 1
1 334 . 18 1 1 A 41 41 ILE H H 75 8.105 8.453 -0.348 1
1 335 . 18 1 1 A 41 41 ILE HA H 75 4.074 3.990 0.084 1
1 338 . 18 1 1 A 41 41 ILE C C 75 175.881 175.284 0.597 1
1 339 . 18 1 1 A 41 41 ILE CA C 75 61.399 62.609 -1.210 1
1 340 . 18 1 1 A 41 41 ILE CB C 75 38.214 37.935 0.279 1
1 342 . 18 1 1 A 41 41 ILE N N 75 122.818 123.568 -0.750 1
1 343 . 18 1 1 A 43 43 GLN HA H 77 4.267 4.472 -0.205 1
1 344 . 18 1 1 A 43 43 GLN C C 77 176.255 175.629 0.626 1
1 345 . 18 1 1 A 43 43 GLN CA C 77 56.500 55.011 1.489 1
1 346 . 18 1 1 A 43 43 GLN CB C 77 29.100 29.697 -0.597 1
1 347 . 18 1 1 A 44 44 GLU H H 78 8.458 8.616 -0.158 1
1 348 . 18 1 1 A 44 44 GLU HA H 78 4.184 4.429 -0.245 1
1 351 . 18 1 1 A 44 44 GLU C C 78 177.000 176.419 0.581 1
1 352 . 18 1 1 A 44 44 GLU CA C 78 57.400 56.339 1.061 1
1 353 . 18 1 1 A 44 44 GLU CB C 78 29.148 30.659 -1.511 1
1 355 . 18 1 1 A 44 44 GLU N N 78 120.627 119.395 1.232 1
1 356 . 18 1 1 A 45 45 GLU H H 79 8.283 8.154 0.129 1
1 357 . 18 1 1 A 45 45 GLU HA H 79 4.121 3.901 0.220 1
1 360 . 18 1 1 A 45 45 GLU C C 79 176.972 176.500 0.472 1
1 361 . 18 1 1 A 45 45 GLU CA C 79 57.106 59.008 -1.902 1
1 362 . 18 1 1 A 45 45 GLU CB C 79 29.680 27.363 2.317 1
1 364 . 18 1 1 A 45 45 GLU N N 79 119.997 117.897 2.100 1
1 365 . 18 1 1 A 46 46 TYR H H 80 7.961 7.925 0.036 1
1 366 . 18 1 1 A 46 46 TYR HA H 80 4.369 4.600 -0.231 1
1 369 . 18 1 1 A 46 46 TYR C C 80 176.086 175.121 0.965 1
1 370 . 18 1 1 A 46 46 TYR CA C 80 58.284 58.759 -0.475 1
1 371 . 18 1 1 A 46 46 TYR CB C 80 38.214 38.680 -0.466 1
1 372 . 18 1 1 A 46 46 TYR N N 80 119.582 117.761 1.821 1
1 373 . 18 1 1 A 47 47 TYR H H 81 7.918 7.646 0.272 1
1 374 . 18 1 1 A 47 47 TYR HA H 81 4.399 4.820 -0.421 1
1 378 . 18 1 1 A 47 47 TYR C C 81 176.566 173.575 2.991 1
1 379 . 18 1 1 A 47 47 TYR CA C 81 58.479 58.266 0.213 1
1 380 . 18 1 1 A 47 47 TYR CB C 81 38.042 41.693 -3.651 1
1 381 . 18 1 1 A 47 47 TYR N N 81 119.336 119.715 -0.379 1
1 382 . 18 1 1 A 48 48 LYS HA H 82 4.090 4.727 -0.637 1
1 383 . 18 1 1 A 48 48 LYS C C 82 176.894 174.624 2.270 1
1 384 . 18 1 1 A 48 48 LYS CA C 82 56.786 54.803 1.983 1
1 385 . 18 1 1 A 48 48 LYS CB C 82 32.306 36.053 -3.747 1
1 386 . 18 1 1 A 49 49 ALA H H 83 7.999 8.000 -0.001 1
1 387 . 18 1 1 A 49 49 ALA HA H 83 4.178 4.247 -0.069 1
1 391 . 18 1 1 A 49 49 ALA C C 83 178.193 177.975 0.218 1
1 392 . 18 1 1 A 49 49 ALA CA C 83 52.825 53.999 -1.174 1
1 393 . 18 1 1 A 49 49 ALA CB C 83 18.200 20.142 -1.942 1
1 394 . 18 1 1 A 49 49 ALA N N 83 122.394 122.688 -0.294 1
1 395 . 18 1 1 A 50 50 GLN H H 84 8.006 7.947 0.059 1
1 396 . 18 1 1 A 50 50 GLN HA H 84 4.167 4.123 0.044 1
1 400 . 18 1 1 A 50 50 GLN C C 84 176.200 174.646 1.554 1
1 401 . 18 1 1 A 50 50 GLN CA C 84 56.016 57.858 -1.842 1
1 402 . 18 1 1 A 50 50 GLN CB C 84 28.467 27.280 1.187 1
1 404 . 18 1 1 A 50 50 GLN N N 84 116.623 115.483 1.140 1
1 405 . 18 1 1 A 51 51 GLN H H 85 8.085 8.589 -0.504 1
1 406 . 18 1 1 A 51 51 GLN HA H 85 4.223 4.369 -0.146 1
1 410 . 18 1 1 A 51 51 GLN CA C 85 56.393 57.951 -1.558 1
1 411 . 18 1 1 A 51 51 GLN CB C 85 28.600 27.662 0.938 1
1 413 . 18 1 1 A 51 51 GLN N N 85 118.681 118.744 -0.063 1
1 414 . 18 1 1 A 53 53 GLN HA H 87 4.268 4.203 0.065 1
1 415 . 18 1 1 A 53 53 GLN C C 87 175.517 176.217 -0.700 1
1 416 . 18 1 1 A 53 53 GLN CA C 87 55.821 57.867 -2.046 1
1 417 . 18 1 1 A 53 53 GLN CB C 87 28.296 28.966 -0.670 1
1 418 . 18 1 1 A 54 54 THR H H 88 7.950 7.515 0.435 1
1 419 . 18 1 1 A 54 54 THR HA H 88 4.540 4.381 0.159 1
1 422 . 18 1 1 A 54 54 THR C C 88 172.445 173.038 -0.593 1
1 423 . 18 1 1 A 54 54 THR CA C 88 59.184 59.934 -0.750 1
1 424 . 18 1 1 A 54 54 THR CB C 88 69.534 69.355 0.179 1
1 426 . 18 1 1 A 54 54 THR N N 88 116.337 115.515 0.822 1
1 427 . 18 1 1 A 55 55 PRO HA H 89 4.410 4.582 -0.172 1
1 431 . 18 1 1 A 55 55 PRO C C 89 3.600 176.860 -173.260 1
1 432 . 18 1 1 A 55 55 PRO CA C 89 176.508 62.837 113.671 1
1 433 . 18 1 1 A 55 55 PRO CB C 89 62.325 32.324 30.001 1
1 436 . 18 1 1 A 55 55 PRO N N 89 50.400 143.343 -92.943 1
1 437 . 18 1 1 A 56 56 ILE H H 90 8.247 8.317 -0.070 1
1 438 . 18 1 1 A 56 56 ILE HA H 90 3.993 4.071 -0.078 1
1 443 . 18 1 1 A 56 56 ILE C C 90 175.132 176.242 -1.110 1
1 444 . 18 1 1 A 56 56 ILE CA C 90 60.718 61.770 -1.052 1
1 445 . 18 1 1 A 56 56 ILE CB C 90 38.277 37.982 0.295 1
1 447 . 18 1 1 A 56 56 ILE N N 90 121.921 123.913 -1.992 1
1 448 . 18 1 1 A 57 57 GLY H H 91 7.820 8.525 -0.705 1
1 449 . 18 1 1 A 57 57 GLY HA2 H 91 4.550 4.376 0.174 1
1 450 . 18 1 1 A 57 57 GLY HA3 H 91 3.640 4.444 -0.804 1
1 451 . 18 1 1 A 57 57 GLY C C 91 172.184 171.874 0.310 1
1 452 . 18 1 1 A 57 57 GLY CA C 91 43.575 45.731 -2.156 1
1 453 . 18 1 1 A 57 57 GLY N N 91 110.987 113.747 -2.760 1
1 454 . 18 1 1 A 58 58 TYR H H 92 8.593 8.610 -0.017 1
1 455 . 18 1 1 A 58 58 TYR HA H 92 5.166 5.383 -0.217 1
1 460 . 18 1 1 A 58 58 TYR C C 92 175.122 174.043 1.079 1
1 461 . 18 1 1 A 58 58 TYR CA C 92 56.544 56.651 -0.107 1
1 462 . 18 1 1 A 58 58 TYR CB C 92 43.819 42.081 1.738 1
1 465 . 18 1 1 A 58 58 TYR N N 92 116.307 119.343 -3.036 1
1 466 . 18 1 1 A 59 59 ASN H H 93 8.964 9.168 -0.204 1
1 467 . 18 1 1 A 59 59 ASN HA H 93 5.116 5.556 -0.440 1
1 470 . 18 1 1 A 59 59 ASN C C 93 173.457 173.883 -0.426 1
1 471 . 18 1 1 A 59 59 ASN CA C 93 52.717 51.754 0.963 1
1 472 . 18 1 1 A 59 59 ASN CB C 93 40.420 41.398 -0.978 1
1 473 . 18 1 1 A 59 59 ASN N N 93 119.232 119.559 -0.327 1
1 474 . 18 1 1 A 60 60 ILE H H 94 9.013 8.677 0.336 1
1 475 . 18 1 1 A 60 60 ILE HA H 94 4.383 4.960 -0.577 1
1 476 . 18 1 1 A 60 60 ILE C C 94 173.370 174.200 -0.830 1
1 477 . 18 1 1 A 60 60 ILE CA C 94 60.231 59.953 0.278 1
1 478 . 18 1 1 A 60 60 ILE CB C 94 38.728 42.513 -3.785 1
1 479 . 18 1 1 A 60 60 ILE N N 94 123.021 125.786 -2.765 1
1 480 . 18 1 1 A 61 61 TYR H H 95 8.867 8.480 0.387 1
1 481 . 18 1 1 A 61 61 TYR HA H 95 5.279 5.961 -0.682 1
1 486 . 18 1 1 A 61 61 TYR C C 95 174.262 173.224 1.038 1
1 487 . 18 1 1 A 61 61 TYR CA C 95 55.732 55.273 0.459 1
1 488 . 18 1 1 A 61 61 TYR CB C 95 39.723 42.483 -2.760 1
1 491 . 18 1 1 A 61 61 TYR N N 95 125.343 122.674 2.669 1
1 492 . 18 1 1 A 62 62 THR H H 96 8.998 8.690 0.308 1
1 493 . 18 1 1 A 62 62 THR HA H 96 4.889 4.795 0.094 1
1 496 . 18 1 1 A 62 62 THR C C 96 172.708 171.417 1.291 1
1 497 . 18 1 1 A 62 62 THR CA C 96 58.248 58.091 0.157 1
1 498 . 18 1 1 A 62 62 THR CB C 96 73.097 72.641 0.456 1
1 500 . 18 1 1 A 62 62 THR N N 96 119.223 115.619 3.604 1
1 501 . 18 1 1 A 63 63 PRO HA H 97 4.410 4.535 -0.125 1
1 503 . 18 1 1 A 63 63 PRO C C 97 3.190 177.129 -173.939 1
1 504 . 18 1 1 A 63 63 PRO CA C 97 175.250 63.776 111.474 1
1 505 . 18 1 1 A 63 63 PRO CB C 97 63.642 31.621 32.021 1
1 507 . 18 1 1 A 63 63 PRO N N 97 51.700 140.156 -88.456 1
1 508 . 18 1 1 A 64 64 TYR H H 98 7.826 9.215 -1.389 1
1 509 . 18 1 1 A 64 64 TYR HA H 98 4.265 4.078 0.187 1
1 514 . 18 1 1 A 64 64 TYR C C 98 175.150 174.138 1.012 1
1 515 . 18 1 1 A 64 64 TYR CA C 98 59.434 59.292 0.142 1
1 516 . 18 1 1 A 64 64 TYR CB C 98 37.240 37.257 -0.017 1
1 518 . 18 1 1 A 64 64 TYR N N 98 122.118 123.167 -1.049 1
1 519 . 18 1 1 A 65 65 ASP H H 99 5.931 7.911 -1.980 1
1 520 . 18 1 1 A 65 65 ASP HA H 99 4.255 4.702 -0.447 1
1 523 . 18 1 1 A 65 65 ASP C C 99 176.079 174.939 1.140 1
1 524 . 18 1 1 A 65 65 ASP CA C 99 52.885 53.642 -0.757 1
1 525 . 18 1 1 A 65 65 ASP CB C 99 43.486 41.780 1.706 1
1 526 . 18 1 1 A 65 65 ASP N N 99 125.409 120.113 5.296 1
1 527 . 18 1 1 A 66 66 ASP H H 100 8.703 8.610 0.093 1
1 528 . 18 1 1 A 66 66 ASP HA H 100 4.058 4.749 -0.691 1
1 531 . 18 1 1 A 66 66 ASP C C 100 176.300 176.122 0.178 1
1 532 . 18 1 1 A 66 66 ASP CA C 100 55.332 53.944 1.388 1
1 533 . 18 1 1 A 66 66 ASP CB C 100 40.206 41.018 -0.812 1
1 534 . 18 1 1 A 66 66 ASP N N 100 128.295 125.993 2.302 1
1 535 . 18 1 1 A 67 67 ARG H H 101 8.832 7.632 1.200 1
1 536 . 18 1 1 A 67 67 ARG HA H 101 3.944 4.134 -0.190 1
1 538 . 18 1 1 A 67 67 ARG C C 101 177.624 178.015 -0.391 1
1 539 . 18 1 1 A 67 67 ARG CA C 101 56.509 58.518 -2.009 1
1 540 . 18 1 1 A 67 67 ARG CB C 101 31.162 30.655 0.507 1
1 541 . 18 1 1 A 67 67 ARG N N 101 117.507 119.327 -1.820 1
1 542 . 18 1 1 A 68 68 ILE H H 102 7.004 7.857 -0.853 1
1 543 . 18 1 1 A 68 68 ILE HA H 102 3.507 3.777 -0.270 1
1 548 . 18 1 1 A 68 68 ILE C C 102 174.835 175.531 -0.696 1
1 549 . 18 1 1 A 68 68 ILE CA C 102 63.638 64.409 -0.771 1
1 550 . 18 1 1 A 68 68 ILE CB C 102 36.617 37.517 -0.900 1
1 552 . 18 1 1 A 68 68 ILE N N 102 116.003 118.305 -2.302 1
1 553 . 18 1 1 A 69 69 ASP H H 103 8.026 8.153 -0.127 1
1 554 . 18 1 1 A 69 69 ASP HA H 103 4.954 5.061 -0.107 1
1 557 . 18 1 1 A 69 69 ASP C C 103 175.574 175.065 0.509 1
1 558 . 18 1 1 A 69 69 ASP CA C 103 52.485 53.246 -0.761 1
1 559 . 18 1 1 A 69 69 ASP CB C 103 45.984 43.337 2.647 1
1 560 . 18 1 1 A 69 69 ASP N N 103 129.672 121.042 8.630 1
1 561 . 18 1 1 A 70 70 LYS H H 104 8.505 8.795 -0.290 1
1 562 . 18 1 1 A 70 70 LYS C C 104 175.300 175.762 -0.462 1
1 563 . 18 1 1 A 70 70 LYS CA C 104 58.027 57.811 0.216 1
1 564 . 18 1 1 A 70 70 LYS CB C 104 31.376 34.755 -3.379 1
1 565 . 18 1 1 A 70 70 LYS N N 104 119.646 125.602 -5.956 1
1 566 . 18 1 1 A 71 71 LYS H H 105 8.653 7.860 0.793 1
1 567 . 18 1 1 A 71 71 LYS HA H 105 4.513 4.606 -0.093 1
1 571 . 18 1 1 A 71 71 LYS C C 105 178.190 174.683 3.507 1
1 572 . 18 1 1 A 71 71 LYS CA C 105 56.415 55.366 1.049 1
1 573 . 18 1 1 A 71 71 LYS CB C 105 30.942 32.849 -1.907 1
1 575 . 18 1 1 A 71 71 LYS N N 105 118.554 119.038 -0.484 1
1 576 . 18 1 1 A 72 72 MET H H 106 7.596 8.019 -0.423 1
1 577 . 18 1 1 A 72 72 MET HA H 106 5.019 4.543 0.476 1
1 578 . 18 1 1 A 72 72 MET C C 106 172.309 172.880 -0.571 1
1 579 . 18 1 1 A 72 72 MET CA C 106 56.500 53.465 3.035 1
1 580 . 18 1 1 A 72 72 MET CB C 106 34.892 35.496 -0.604 1
1 581 . 18 1 1 A 72 72 MET N N 106 119.949 117.694 2.255 1
1 582 . 18 1 1 A 73 73 ARG H H 107 8.266 8.006 0.260 1
1 583 . 18 1 1 A 73 73 ARG HA H 107 4.075 4.418 -0.343 1
1 585 . 18 1 1 A 73 73 ARG C C 107 172.995 174.455 -1.460 1
1 586 . 18 1 1 A 73 73 ARG CA C 107 53.348 55.003 -1.655 1
1 587 . 18 1 1 A 73 73 ARG CB C 107 31.579 31.158 0.421 1
1 588 . 18 1 1 A 73 73 ARG N N 107 112.423 122.740 -10.317 1
1 589 . 18 1 1 A 74 74 VAL H H 108 8.371 8.525 -0.154 1
1 590 . 18 1 1 A 74 74 VAL HA H 108 4.954 4.707 0.247 1
1 598 . 18 1 1 A 74 74 VAL C C 108 173.137 173.869 -0.732 1
1 599 . 18 1 1 A 74 74 VAL CA C 108 58.400 59.722 -1.322 1
1 600 . 18 1 1 A 74 74 VAL CB C 108 35.700 34.120 1.580 1
1 603 . 18 1 1 A 74 74 VAL N N 108 117.751 126.782 -9.031 1
1 604 . 18 1 1 A 75 75 ILE H H 109 8.644 8.783 -0.139 1
1 605 . 18 1 1 A 75 75 ILE HA H 109 4.772 4.745 0.027 1
1 610 . 18 1 1 A 75 75 ILE C C 109 176.377 174.057 2.320 1
1 611 . 18 1 1 A 75 75 ILE CA C 109 57.500 59.950 -2.450 1
1 612 . 18 1 1 A 75 75 ILE CB C 109 35.550 38.366 -2.816 1
1 614 . 18 1 1 A 75 75 ILE N N 109 122.741 128.838 -6.097 1
1 615 . 18 1 1 A 76 76 TYR H H 110 8.928 8.772 0.156 1
1 616 . 18 1 1 A 76 76 TYR HA H 110 4.873 4.820 0.053 1
1 621 . 18 1 1 A 76 76 TYR C C 110 173.400 175.635 -2.235 1
1 622 . 18 1 1 A 76 76 TYR CA C 110 54.699 57.259 -2.560 1
1 623 . 18 1 1 A 76 76 TYR CB C 110 40.392 40.185 0.207 1
1 626 . 18 1 1 A 76 76 TYR N N 110 129.091 129.546 -0.455 1
1 627 . 18 1 1 A 77 77 ARG H H 111 9.206 9.033 0.173 1
1 628 . 18 1 1 A 77 77 ARG HA H 111 3.537 3.807 -0.270 1
1 633 . 18 1 1 A 77 77 ARG C C 111 176.065 175.187 0.878 1
1 634 . 18 1 1 A 77 77 ARG CA C 111 56.490 56.874 -0.384 1
1 635 . 18 1 1 A 77 77 ARG CB C 111 27.448 28.865 -1.417 1
1 636 . 18 1 1 A 77 77 ARG N N 111 126.774 127.549 -0.775 1
1 637 . 18 1 1 A 78 78 GLY H H 112 8.155 8.380 -0.225 1
1 638 . 18 1 1 A 78 78 GLY HA2 H 112 4.040 3.779 0.261 1
1 639 . 18 1 1 A 78 78 GLY HA3 H 112 3.540 3.787 -0.247 1
1 640 . 18 1 1 A 78 78 GLY C C 112 173.810 173.681 0.129 1
1 641 . 18 1 1 A 78 78 GLY CA C 112 45.284 45.491 -0.207 1
1 642 . 18 1 1 A 78 78 GLY N N 112 102.172 105.112 -2.940 1
1 643 . 18 1 1 A 79 79 LYS HA H 113 3.910 4.482 -0.572 1
1 644 . 18 1 1 A 79 79 LYS C C 113 174.750 175.658 -0.908 1
1 645 . 18 1 1 A 79 79 LYS CA C 113 53.808 55.024 -1.216 1
1 646 . 18 1 1 A 79 79 LYS CB C 113 33.298 34.768 -1.470 1
1 647 . 18 1 1 A 80 80 ILE H H 114 8.484 8.644 -0.160 1
1 648 . 18 1 1 A 80 80 ILE HA H 114 3.860 4.489 -0.629 1
1 653 . 18 1 1 A 80 80 ILE C C 114 174.732 175.690 -0.958 1
1 654 . 18 1 1 A 80 80 ILE CA C 114 61.130 60.142 0.988 1
1 655 . 18 1 1 A 80 80 ILE CB C 114 37.740 36.497 1.243 1
1 657 . 18 1 1 A 80 80 ILE N N 114 121.186 125.455 -4.269 1
1 658 . 18 1 1 A 81 81 VAL H H 115 9.395 8.600 0.795 1
1 659 . 18 1 1 A 81 81 VAL HA H 115 4.645 4.568 0.077 1
1 664 . 18 1 1 A 81 81 VAL C C 115 174.934 175.918 -0.984 1
1 665 . 18 1 1 A 81 81 VAL CA C 115 60.401 59.358 1.043 1
1 666 . 18 1 1 A 81 81 VAL CB C 115 32.142 35.038 -2.896 1
1 668 . 18 1 1 A 81 81 VAL N N 115 129.212 122.479 6.733 1
1 669 . 18 1 1 A 82 82 THR H H 116 8.661 9.031 -0.370 1
1 670 . 18 1 1 A 82 82 THR HA H 116 4.483 4.222 0.261 1
1 673 . 18 1 1 A 82 82 THR C C 116 175.000 173.977 1.023 1
1 674 . 18 1 1 A 82 82 THR CA C 116 59.911 63.999 -4.088 1
1 675 . 18 1 1 A 82 82 THR CB C 116 69.844 68.843 1.001 1
1 677 . 18 1 1 A 82 82 THR N N 116 120.129 115.895 4.234 1
1 678 . 18 1 1 A 83 83 PHE H H 117 9.153 7.933 1.220 1
1 679 . 18 1 1 A 83 83 PHE HA H 117 5.003 4.862 0.141 1
1 681 . 18 1 1 A 83 83 PHE C C 117 177.126 174.815 2.311 1
1 682 . 18 1 1 A 83 83 PHE CA C 117 55.003 61.270 -6.267 1
1 683 . 18 1 1 A 83 83 PHE CB C 117 37.018 37.421 -0.403 1
1 684 . 18 1 1 A 83 83 PHE N N 117 123.251 120.940 2.311 1
1 685 . 18 1 1 A 84 84 ILE H H 118 8.882 7.795 1.087 1
1 686 . 18 1 1 A 84 84 ILE HA H 118 4.320 4.858 -0.538 1
1 695 . 18 1 1 A 84 84 ILE C C 118 175.958 175.668 0.290 1
1 696 . 18 1 1 A 84 84 ILE CA C 118 60.275 59.363 0.912 1
1 697 . 18 1 1 A 84 84 ILE CB C 118 37.057 40.288 -3.231 1
1 700 . 18 1 1 A 84 84 ILE N N 118 122.450 117.282 5.168 1
1 701 . 18 1 1 A 85 85 GLY H H 119 8.198 8.332 -0.134 1
1 702 . 18 1 1 A 85 85 GLY HA2 H 119 4.050 4.274 -0.224 1
1 703 . 18 1 1 A 85 85 GLY HA3 H 119 3.900 4.291 -0.391 1
1 704 . 18 1 1 A 85 85 GLY C C 119 172.376 171.411 0.965 1
1 705 . 18 1 1 A 85 85 GLY CA C 119 44.033 45.743 -1.710 1
1 706 . 18 1 1 A 85 85 GLY N N 119 112.995 109.931 3.064 1
1 707 . 18 1 1 A 86 86 ASP H H 120 8.132 8.586 -0.454 1
1 708 . 18 1 1 A 86 86 ASP HA H 120 4.938 5.249 -0.311 1
1 711 . 18 1 1 A 86 86 ASP C C 120 175.418 174.350 1.068 1
1 712 . 18 1 1 A 86 86 ASP CA C 120 52.656 50.541 2.115 1
1 713 . 18 1 1 A 86 86 ASP CB C 120 40.163 42.809 -2.646 1
1 714 . 18 1 1 A 86 86 ASP N N 120 119.130 120.473 -1.343 1
1 715 . 18 1 1 A 87 87 PRO HA H 121 4.470 4.852 -0.382 1
1 719 . 18 1 1 A 87 87 PRO CA C 121 175.750 62.250 113.500 1
1 720 . 18 1 1 A 87 87 PRO CB C 121 62.414 32.202 30.212 1
1 723 . 18 1 1 A 87 87 PRO N N 121 49.700 140.586 -90.886 1
1 724 . 18 1 1 A 88 88 VAL H H 122 8.707 8.917 -0.210 1
1 725 . 18 1 1 A 88 88 VAL HA H 122 4.400 4.563 -0.163 1
1 733 . 18 1 1 A 88 88 VAL C C 122 174.250 174.408 -0.158 1
1 734 . 18 1 1 A 88 88 VAL CA C 122 60.598 60.716 -0.118 1
1 735 . 18 1 1 A 88 88 VAL CB C 122 34.847 34.576 0.271 1
1 738 . 18 1 1 A 88 88 VAL N N 122 121.987 122.672 -0.685 1
1 739 . 18 1 1 A 89 89 ASP H H 123 8.437 8.749 -0.312 1
1 740 . 18 1 1 A 89 89 ASP HA H 123 5.068 4.890 0.178 1
1 743 . 18 1 1 A 89 89 ASP C C 123 177.435 175.839 1.596 1
1 744 . 18 1 1 A 89 89 ASP CA C 123 52.751 53.238 -0.487 1
1 745 . 18 1 1 A 89 89 ASP CB C 123 40.191 40.724 -0.533 1
1 746 . 18 1 1 A 89 89 ASP N N 123 125.856 128.288 -2.432 1
1 747 . 18 1 1 A 90 90 LEU H H 124 8.793 8.818 -0.025 1
1 748 . 18 1 1 A 90 90 LEU HA H 124 4.047 4.234 -0.187 1
1 749 . 18 1 1 A 90 90 LEU CA C 124 56.836 56.089 0.747 1
1 750 . 18 1 1 A 90 90 LEU CB C 124 41.301 42.900 -1.599 1
1 751 . 18 1 1 A 90 90 LEU N N 124 128.178 125.665 2.513 1
1 752 . 18 1 1 A 91 91 SER H H 125 8.927 8.274 0.653 1
1 753 . 18 1 1 A 91 91 SER HA H 125 4.287 4.574 -0.287 1
1 754 . 18 1 1 A 91 91 SER C C 125 173.984 174.675 -0.691 1
1 755 . 18 1 1 A 91 91 SER CA C 125 58.498 60.266 -1.768 1
1 756 . 18 1 1 A 91 91 SER CB C 125 63.600 62.954 0.646 1
1 757 . 18 1 1 A 91 91 SER N N 125 115.226 114.675 0.551 1
1 758 . 18 1 1 A 92 92 GLY H H 126 8.250 8.569 -0.319 1
1 759 . 18 1 1 A 92 92 GLY HA2 H 126 3.950 3.879 0.071 1
1 760 . 18 1 1 A 92 92 GLY HA3 H 126 3.670 3.884 -0.214 1
1 761 . 18 1 1 A 92 92 GLY C C 126 174.700 174.052 0.648 1
1 762 . 18 1 1 A 92 92 GLY CA C 126 45.900 46.493 -0.593 1
1 763 . 18 1 1 A 92 92 GLY N N 126 109.395 107.859 1.536 1
1 764 . 18 1 1 A 94 94 GLN C C 128 174.459 175.244 -0.785 1
1 765 . 18 1 1 A 94 94 GLN CA C 128 56.434 57.394 -0.960 1
1 766 . 18 1 1 A 94 94 GLN CB C 128 25.491 26.780 -1.289 1
1 767 . 18 1 1 A 95 95 GLU H H 129 8.474 8.853 -0.379 1
1 768 . 18 1 1 A 95 95 GLU HA H 129 4.596 3.912 0.684 1
1 772 . 18 1 1 A 95 95 GLU C C 129 177.559 174.867 2.692 1
1 773 . 18 1 1 A 95 95 GLU CA C 129 57.183 57.560 -0.377 1
1 774 . 18 1 1 A 95 95 GLU CB C 129 31.432 27.130 4.302 1
1 775 . 18 1 1 A 95 95 GLU N N 129 115.145 109.721 5.424 1
1 776 . 18 1 1 A 96 96 ILE H H 130 9.393 7.778 1.615 1
1 777 . 18 1 1 A 96 96 ILE HA H 130 4.660 4.982 -0.322 1
1 782 . 18 1 1 A 96 96 ILE C C 130 173.821 174.576 -0.755 1
1 783 . 18 1 1 A 96 96 ILE CA C 130 59.481 59.572 -0.091 1
1 784 . 18 1 1 A 96 96 ILE CB C 130 41.386 40.284 1.102 1
1 785 . 18 1 1 A 96 96 ILE N N 130 124.603 114.848 9.755 1
1 786 . 18 1 1 A 97 97 THR H H 131 9.341 8.752 0.589 1
1 787 . 18 1 1 A 97 97 THR HA H 131 5.135 5.040 0.095 1
1 790 . 18 1 1 A 97 97 THR C C 131 172.742 172.679 0.063 1
1 791 . 18 1 1 A 97 97 THR CA C 131 62.458 61.436 1.022 1
1 792 . 18 1 1 A 97 97 THR CB C 131 69.995 70.413 -0.418 1
1 794 . 18 1 1 A 97 97 THR N N 131 125.280 119.699 5.581 1
1 795 . 18 1 1 A 98 98 ARG H H 132 9.286 9.619 -0.333 1
1 796 . 18 1 1 A 98 98 ARG HA H 132 5.263 5.206 0.057 1
1 802 . 18 1 1 A 98 98 ARG C C 132 175.462 174.129 1.333 1
1 803 . 18 1 1 A 98 98 ARG CA C 132 53.122 54.346 -1.224 1
1 804 . 18 1 1 A 98 98 ARG CB C 132 32.555 34.181 -1.626 1
1 805 . 18 1 1 A 98 98 ARG N N 132 126.525 128.094 -1.569 1
1 806 . 18 1 1 A 99 99 ILE H H 133 9.338 8.932 0.406 1
1 807 . 18 1 1 A 99 99 ILE HA H 133 3.959 5.011 -1.052 1
1 816 . 18 1 1 A 99 99 ILE C C 133 173.860 173.137 0.723 1
1 817 . 18 1 1 A 99 99 ILE CA C 133 59.719 59.083 0.636 1
1 818 . 18 1 1 A 99 99 ILE CB C 133 41.429 42.397 -0.968 1
1 821 . 18 1 1 A 99 99 ILE N N 133 129.483 125.325 4.158 1
1 822 . 18 1 1 A 100 100 LYS H H 134 8.457 9.053 -0.596 1
1 823 . 18 1 1 A 100 100 LYS HA H 134 4.990 5.117 -0.127 1
1 824 . 18 1 1 A 100 100 LYS C C 134 175.750 175.426 0.324 1
1 825 . 18 1 1 A 100 100 LYS CA C 134 54.548 54.607 -0.059 1
1 826 . 18 1 1 A 100 100 LYS CB C 134 32.800 35.052 -2.252 1
1 827 . 18 1 1 A 100 100 LYS N N 134 128.506 128.653 -0.147 1
1 828 . 18 1 1 A 101 101 GLY H H 135 8.968 9.038 -0.070 1
1 829 . 18 1 1 A 101 101 GLY HA2 H 135 5.350 4.277 1.073 1
1 830 . 18 1 1 A 101 101 GLY HA3 H 135 3.290 4.288 -0.998 1
1 831 . 18 1 1 A 101 101 GLY C C 135 171.558 172.218 -0.660 1
1 832 . 18 1 1 A 101 101 GLY CA C 135 44.286 44.287 -0.001 1
1 833 . 18 1 1 A 101 101 GLY N N 135 110.167 113.651 -3.484 1
1 834 . 18 1 1 A 102 102 LYS H H 136 9.158 8.655 0.503 1
1 835 . 18 1 1 A 102 102 LYS C C 136 174.516 175.294 -0.778 1
1 836 . 18 1 1 A 102 102 LYS CA C 136 53.781 54.443 -0.662 1
1 837 . 18 1 1 A 102 102 LYS CB C 136 34.807 36.312 -1.505 1
1 838 . 18 1 1 A 102 102 LYS N N 136 119.838 122.260 -2.422 1
1 839 . 18 1 1 A 103 103 GLU H H 137 8.711 8.894 -0.183 1
1 840 . 18 1 1 A 103 103 GLU HA H 137 4.709 4.866 -0.157 1
1 841 . 18 1 1 A 103 103 GLU C C 137 176.875 176.184 0.691 1
1 842 . 18 1 1 A 103 103 GLU CA C 137 56.833 55.797 1.036 1
1 843 . 18 1 1 A 103 103 GLU CB C 137 30.640 31.328 -0.688 1
1 844 . 18 1 1 A 103 103 GLU N N 137 124.293 121.462 2.831 1
1 845 . 18 1 1 A 104 104 ASP H H 138 9.334 8.911 0.423 1
1 846 . 18 1 1 A 104 104 ASP HA H 138 4.954 4.311 0.643 1
1 849 . 18 1 1 A 104 104 ASP C C 138 175.340 176.254 -0.914 1
1 850 . 18 1 1 A 104 104 ASP CA C 138 53.107 54.996 -1.889 1
1 851 . 18 1 1 A 104 104 ASP CB C 138 42.374 39.230 3.144 1
1 852 . 18 1 1 A 104 104 ASP N N 138 127.542 118.775 8.767 1
1 853 . 18 1 1 A 105 105 GLY H H 139 7.732 7.966 -0.234 1
1 854 . 18 1 1 A 105 105 GLY HA2 H 139 4.360 3.734 0.626 1
1 855 . 18 1 1 A 105 105 GLY HA3 H 139 3.800 3.840 -0.040 1
1 856 . 18 1 1 A 105 105 GLY C C 139 172.374 174.763 -2.389 1
1 857 . 18 1 1 A 105 105 GLY CA C 139 43.800 46.862 -3.062 1
1 858 . 18 1 1 A 105 105 GLY N N 139 106.466 107.081 -0.615 1
1 859 . 18 1 1 A 106 106 ALA H H 140 8.191 7.431 0.760 1
1 860 . 18 1 1 A 106 106 ALA HA H 140 4.564 4.351 0.213 1
1 864 . 18 1 1 A 106 106 ALA C C 140 177.004 177.355 -0.351 1
1 865 . 18 1 1 A 106 106 ALA CA C 140 51.406 51.849 -0.443 1
1 866 . 18 1 1 A 106 106 ALA CB C 140 19.500 19.085 0.415 1
1 867 . 18 1 1 A 106 106 ALA N N 140 120.674 121.074 -0.400 1
1 868 . 18 1 1 A 107 107 TYR H H 141 8.458 7.454 1.004 1
1 869 . 18 1 1 A 107 107 TYR HA H 141 4.578 4.682 -0.104 1
1 873 . 18 1 1 A 107 107 TYR C C 141 174.746 176.190 -1.444 1
1 874 . 18 1 1 A 107 107 TYR CA C 141 56.554 57.802 -1.248 1
1 875 . 18 1 1 A 107 107 TYR CB C 141 38.649 37.579 1.070 1
1 878 . 18 1 1 A 107 107 TYR N N 141 121.312 117.443 3.869 1
1 879 . 18 1 1 A 108 108 VAL H H 142 7.941 7.805 0.136 1
1 880 . 18 1 1 A 108 108 VAL HA H 142 4.008 4.288 -0.280 1
1 888 . 18 1 1 A 108 108 VAL C C 142 174.701 175.728 -1.027 1
1 889 . 18 1 1 A 108 108 VAL CA C 142 60.912 61.440 -0.528 1
1 890 . 18 1 1 A 108 108 VAL CB C 142 32.065 30.920 1.145 1
1 893 . 18 1 1 A 108 108 VAL N N 142 125.257 119.933 5.324 1
1 9 . 19 1 1 A 2 2 TYR H H 36 7.537 7.357 0.180 1
1 10 . 19 1 1 A 2 2 TYR HA H 36 3.945 4.626 -0.681 1
1 15 . 19 1 1 A 2 2 TYR C C 36 176.000 175.121 0.879 1
1 16 . 19 1 1 A 2 2 TYR CA C 36 57.871 56.992 0.879 1
1 17 . 19 1 1 A 2 2 TYR CB C 36 37.248 36.917 0.331 1
1 18 . 19 1 1 A 2 2 TYR N N 36 117.048 119.976 -2.928 1
1 19 . 19 1 1 A 3 3 GLU H H 37 7.718 8.500 -0.782 1
1 20 . 19 1 1 A 3 3 GLU HA H 37 4.025 4.116 -0.091 1
1 24 . 19 1 1 A 3 3 GLU C C 37 176.100 176.784 -0.684 1
1 25 . 19 1 1 A 3 3 GLU CA C 37 56.788 57.326 -0.538 1
1 26 . 19 1 1 A 3 3 GLU CB C 37 29.527 28.125 1.402 1
1 28 . 19 1 1 A 3 3 GLU N N 37 118.925 117.595 1.330 1
1 29 . 19 1 1 A 4 4 GLU H H 38 7.866 8.378 -0.512 1
1 30 . 19 1 1 A 4 4 GLU HA H 38 4.215 4.570 -0.355 1
1 35 . 19 1 1 A 4 4 GLU C C 38 176.205 176.362 -0.157 1
1 36 . 19 1 1 A 4 4 GLU CA C 38 55.595 55.574 0.021 1
1 37 . 19 1 1 A 4 4 GLU CB C 38 29.162 29.537 -0.375 1
1 38 . 19 1 1 A 4 4 GLU N N 38 116.623 118.003 -1.380 1
1 39 . 19 1 1 A 5 5 PHE H H 39 8.087 8.217 -0.130 1
1 40 . 19 1 1 A 5 5 PHE HA H 39 4.780 4.984 -0.204 1
1 46 . 19 1 1 A 5 5 PHE C C 39 176.758 175.092 1.666 1
1 47 . 19 1 1 A 5 5 PHE CA C 39 54.914 57.222 -2.308 1
1 48 . 19 1 1 A 5 5 PHE CB C 39 36.531 39.217 -2.686 1
1 49 . 19 1 1 A 5 5 PHE N N 39 121.852 121.106 0.746 1
1 50 . 19 1 1 A 6 6 ARG HA H 40 4.515 4.663 -0.148 1
1 51 . 19 1 1 A 6 6 ARG C C 40 176.376 174.132 2.244 1
1 52 . 19 1 1 A 6 6 ARG CA C 40 56.288 54.815 1.473 1
1 53 . 19 1 1 A 6 6 ARG CB C 40 31.100 30.625 0.475 1
1 54 . 19 1 1 A 7 7 ASP H H 41 8.851 7.932 0.919 1
1 55 . 19 1 1 A 7 7 ASP HA H 41 5.182 5.043 0.139 1
1 57 . 19 1 1 A 7 7 ASP C C 41 175.379 174.640 0.739 1
1 58 . 19 1 1 A 7 7 ASP CA C 41 53.324 53.022 0.302 1
1 59 . 19 1 1 A 7 7 ASP CB C 41 44.292 44.805 -0.513 1
1 60 . 19 1 1 A 7 7 ASP N N 41 119.795 124.244 -4.449 1
1 61 . 19 1 1 A 8 8 VAL H H 42 8.580 8.684 -0.104 1
1 62 . 19 1 1 A 8 8 VAL HA H 42 4.856 4.725 0.131 1
1 70 . 19 1 1 A 8 8 VAL C C 42 175.170 175.574 -0.404 1
1 71 . 19 1 1 A 8 8 VAL CA C 42 61.398 61.972 -0.574 1
1 72 . 19 1 1 A 8 8 VAL CB C 42 33.643 32.630 1.013 1
1 75 . 19 1 1 A 8 8 VAL N N 42 120.042 120.812 -0.770 1
1 76 . 19 1 1 A 9 9 ILE H H 43 8.765 9.404 -0.639 1
1 77 . 19 1 1 A 9 9 ILE HA H 43 4.939 5.152 -0.213 1
1 79 . 19 1 1 A 9 9 ILE C C 43 173.755 174.613 -0.858 1
1 80 . 19 1 1 A 9 9 ILE CA C 43 58.528 59.227 -0.699 1
1 81 . 19 1 1 A 9 9 ILE CB C 43 40.437 42.230 -1.793 1
1 82 . 19 1 1 A 9 9 ILE N N 43 117.778 122.981 -5.203 1
1 83 . 19 1 1 A 10 10 THR H H 44 7.834 8.170 -0.336 1
1 84 . 19 1 1 A 10 10 THR HA H 44 4.709 4.834 -0.125 1
1 87 . 19 1 1 A 10 10 THR C C 44 173.691 173.756 -0.065 1
1 88 . 19 1 1 A 10 10 THR CA C 44 61.662 61.348 0.314 1
1 89 . 19 1 1 A 10 10 THR CB C 44 70.906 70.034 0.872 1
1 91 . 19 1 1 A 10 10 THR N N 44 116.613 117.316 -0.703 1
1 92 . 19 1 1 A 11 11 PHE H H 45 8.821 8.916 -0.095 1
1 93 . 19 1 1 A 11 11 PHE HA H 45 4.807 5.072 -0.265 1
1 94 . 19 1 1 A 11 11 PHE C C 45 175.619 174.796 0.823 1
1 95 . 19 1 1 A 11 11 PHE CA C 45 57.779 56.404 1.375 1
1 96 . 19 1 1 A 11 11 PHE CB C 45 39.649 40.931 -1.282 1
1 97 . 19 1 1 A 11 11 PHE N N 45 125.155 125.518 -0.363 1
1 98 . 19 1 1 A 12 12 GLN H H 46 9.103 8.697 0.406 1
1 99 . 19 1 1 A 12 12 GLN HA H 46 5.573 5.000 0.573 1
1 103 . 19 1 1 A 12 12 GLN C C 46 175.011 174.276 0.735 1
1 104 . 19 1 1 A 12 12 GLN CA C 46 54.423 54.221 0.202 1
1 105 . 19 1 1 A 12 12 GLN CB C 46 34.467 33.044 1.423 1
1 106 . 19 1 1 A 12 12 GLN N N 46 119.069 121.129 -2.060 1
1 107 . 19 1 1 A 13 13 SER H H 47 8.730 8.931 -0.201 1
1 108 . 19 1 1 A 13 13 SER HA H 47 5.229 5.334 -0.105 1
1 110 . 19 1 1 A 13 13 SER C C 47 171.559 172.185 -0.626 1
1 111 . 19 1 1 A 13 13 SER CA C 47 56.514 56.750 -0.236 1
1 112 . 19 1 1 A 13 13 SER CB C 47 66.075 66.674 -0.599 1
1 113 . 19 1 1 A 13 13 SER N N 47 114.734 116.678 -1.944 1
1 114 . 19 1 1 A 14 14 TYR H H 48 8.544 8.704 -0.160 1
1 115 . 19 1 1 A 14 14 TYR HA H 48 4.256 4.779 -0.523 1
1 120 . 19 1 1 A 14 14 TYR C C 48 175.437 173.784 1.653 1
1 121 . 19 1 1 A 14 14 TYR CA C 48 56.137 55.629 0.508 1
1 122 . 19 1 1 A 14 14 TYR CB C 48 36.242 40.909 -4.667 1
1 125 . 19 1 1 A 14 14 TYR N N 48 126.962 126.287 0.675 1
1 126 . 19 1 1 A 15 15 VAL H H 49 8.537 8.516 0.021 1
1 127 . 19 1 1 A 15 15 VAL HA H 49 4.360 4.392 -0.032 1
1 132 . 19 1 1 A 15 15 VAL C C 49 174.600 175.080 -0.480 1
1 133 . 19 1 1 A 15 15 VAL CA C 49 62.600 60.014 2.586 1
1 134 . 19 1 1 A 15 15 VAL CB C 49 35.100 35.188 -0.088 1
1 136 . 19 1 1 A 15 15 VAL N N 49 123.837 126.410 -2.573 1
1 137 . 19 1 1 A 16 16 GLU H H 50 8.296 8.857 -0.561 1
1 138 . 19 1 1 A 16 16 GLU HA H 50 3.702 3.949 -0.247 1
1 142 . 19 1 1 A 16 16 GLU C C 50 175.947 175.561 0.386 1
1 143 . 19 1 1 A 16 16 GLU CA C 50 55.400 57.106 -1.706 1
1 144 . 19 1 1 A 16 16 GLU CB C 50 30.100 28.223 1.877 1
1 145 . 19 1 1 A 16 16 GLU N N 50 124.989 127.235 -2.246 1
1 146 . 19 1 1 A 17 17 GLN H H 51 8.529 8.244 0.285 1
1 147 . 19 1 1 A 17 17 GLN HA H 51 4.415 4.345 0.070 1
1 151 . 19 1 1 A 17 17 GLN C C 51 175.122 174.360 0.762 1
1 152 . 19 1 1 A 17 17 GLN CA C 51 54.060 55.110 -1.050 1
1 153 . 19 1 1 A 17 17 GLN CB C 51 29.943 27.171 2.772 1
1 155 . 19 1 1 A 17 17 GLN N N 51 124.656 121.037 3.619 1
1 156 . 19 1 1 A 18 18 SER HA H 52 4.420 5.112 -0.692 1
1 157 . 19 1 1 A 18 18 SER C C 52 173.505 173.553 -0.048 1
1 158 . 19 1 1 A 18 18 SER CA C 52 58.279 56.449 1.830 1
1 159 . 19 1 1 A 18 18 SER CB C 52 63.835 64.703 -0.868 1
1 160 . 19 1 1 A 19 19 ASN H H 53 8.109 8.832 -0.723 1
1 161 . 19 1 1 A 19 19 ASN HA H 53 4.399 5.202 -0.803 1
1 164 . 19 1 1 A 19 19 ASN C C 53 179.837 175.941 3.896 1
1 165 . 19 1 1 A 19 19 ASN CA C 53 54.664 51.721 2.943 1
1 166 . 19 1 1 A 19 19 ASN CB C 53 39.983 40.211 -0.228 1
1 167 . 19 1 1 A 19 19 ASN N N 53 126.199 122.096 4.103 1
1 168 . 19 1 1 A 20 20 GLY H H 54 8.166 9.159 -0.993 1
1 169 . 19 1 1 A 20 20 GLY HA2 H 54 3.911 4.054 -0.143 1
1 170 . 19 1 1 A 20 20 GLY C C 54 174.876 174.265 0.611 1
1 171 . 19 1 1 A 20 20 GLY CA C 54 45.206 45.829 -0.623 1
1 172 . 19 1 1 A 20 20 GLY N N 54 113.067 107.328 5.739 1
1 173 . 19 1 1 A 22 22 GLY CA C 56 45.279 46.431 -1.152 1
1 174 . 19 1 1 A 23 23 GLY H H 57 8.235 7.637 0.598 1
1 175 . 19 1 1 A 23 23 GLY HA2 H 57 3.929 4.106 -0.177 1
1 176 . 19 1 1 A 23 23 GLY C C 57 173.796 171.603 2.193 1
1 177 . 19 1 1 A 23 23 GLY CA C 57 45.348 45.593 -0.245 1
1 178 . 19 1 1 A 23 23 GLY N N 57 108.389 108.199 0.190 1
1 179 . 19 1 1 A 24 24 LYS HA H 58 4.804 5.137 -0.333 1
1 180 . 19 1 1 A 24 24 LYS C C 58 175.908 174.316 1.592 1
1 181 . 19 1 1 A 24 24 LYS CA C 58 54.833 54.869 -0.036 1
1 182 . 19 1 1 A 24 24 LYS CB C 58 34.402 36.170 -1.768 1
1 183 . 19 1 1 A 25 25 THR H H 59 8.413 9.066 -0.653 1
1 184 . 19 1 1 A 25 25 THR HA H 59 4.482 5.059 -0.577 1
1 187 . 19 1 1 A 25 25 THR C C 59 171.934 173.161 -1.227 1
1 188 . 19 1 1 A 25 25 THR CA C 59 60.144 60.547 -0.403 1
1 189 . 19 1 1 A 25 25 THR CB C 59 71.035 70.311 0.724 1
1 191 . 19 1 1 A 25 25 THR N N 59 115.947 115.836 0.111 1
1 192 . 19 1 1 A 26 26 TYR H H 60 8.182 8.476 -0.294 1
1 193 . 19 1 1 A 26 26 TYR HA H 60 4.883 5.567 -0.684 1
1 198 . 19 1 1 A 26 26 TYR C C 60 173.593 172.846 0.747 1
1 199 . 19 1 1 A 26 26 TYR CA C 60 54.043 55.261 -1.218 1
1 200 . 19 1 1 A 26 26 TYR CB C 60 40.100 41.196 -1.096 1
1 202 . 19 1 1 A 26 26 TYR N N 60 121.985 120.534 1.451 1
1 203 . 19 1 1 A 27 27 LYS H H 61 8.385 8.677 -0.292 1
1 204 . 19 1 1 A 27 27 LYS HA H 61 4.563 5.348 -0.785 1
1 205 . 19 1 1 A 27 27 LYS C C 61 174.186 174.605 -0.419 1
1 206 . 19 1 1 A 27 27 LYS CA C 61 54.589 54.722 -0.133 1
1 207 . 19 1 1 A 27 27 LYS CB C 61 35.801 36.126 -0.325 1
1 208 . 19 1 1 A 27 27 LYS N N 61 120.203 120.537 -0.334 1
1 209 . 19 1 1 A 28 28 TRP H H 62 8.524 8.868 -0.344 1
1 210 . 19 1 1 A 28 28 TRP HA H 62 5.361 5.466 -0.105 1
1 215 . 19 1 1 A 28 28 TRP C C 62 176.934 174.912 2.022 1
1 216 . 19 1 1 A 28 28 TRP CA C 62 56.499 55.250 1.249 1
1 217 . 19 1 1 A 28 28 TRP CB C 62 29.300 32.238 -2.938 1
1 218 . 19 1 1 A 28 28 TRP N N 62 122.913 126.133 -3.220 1
1 220 . 19 1 1 A 29 29 VAL H H 63 9.470 8.804 0.666 1
1 221 . 19 1 1 A 29 29 VAL HA H 63 4.626 4.928 -0.302 1
1 229 . 19 1 1 A 29 29 VAL C C 63 175.264 173.504 1.760 1
1 230 . 19 1 1 A 29 29 VAL CA C 63 59.163 60.313 -1.150 1
1 231 . 19 1 1 A 29 29 VAL CB C 63 34.759 35.985 -1.226 1
1 234 . 19 1 1 A 29 29 VAL N N 63 120.454 121.882 -1.428 1
1 235 . 19 1 1 A 30 30 ASP H H 64 8.576 8.641 -0.065 1
1 236 . 19 1 1 A 30 30 ASP HA H 64 4.386 5.157 -0.771 1
1 237 . 19 1 1 A 30 30 ASP C C 64 174.186 176.091 -1.905 1
1 238 . 19 1 1 A 30 30 ASP CA C 64 55.907 53.190 2.717 1
1 239 . 19 1 1 A 30 30 ASP CB C 64 39.942 41.803 -1.861 1
1 240 . 19 1 1 A 30 30 ASP N N 64 123.588 124.818 -1.230 1
1 241 . 19 1 1 A 31 31 GLU H H 65 9.482 9.086 0.396 1
1 242 . 19 1 1 A 31 31 GLU HA H 65 4.674 4.575 0.099 1
1 246 . 19 1 1 A 31 31 GLU C C 65 176.000 176.774 -0.774 1
1 247 . 19 1 1 A 31 31 GLU CA C 65 57.263 58.293 -1.030 1
1 248 . 19 1 1 A 31 31 GLU CB C 65 30.200 31.197 -0.997 1
1 250 . 19 1 1 A 31 31 GLU N N 65 124.008 122.551 1.457 1
1 251 . 19 1 1 A 32 32 PHE H H 66 7.257 7.102 0.155 1
1 252 . 19 1 1 A 32 32 PHE HA H 66 4.940 5.174 -0.234 1
1 254 . 19 1 1 A 32 32 PHE C C 66 172.742 172.929 -0.187 1
1 255 . 19 1 1 A 32 32 PHE CA C 66 56.316 56.594 -0.278 1
1 256 . 19 1 1 A 32 32 PHE CB C 66 38.948 40.750 -1.802 1
1 257 . 19 1 1 A 32 32 PHE N N 66 110.866 114.452 -3.586 1
1 258 . 19 1 1 A 33 33 THR H H 67 8.603 8.678 -0.075 1
1 259 . 19 1 1 A 33 33 THR HA H 67 5.377 5.432 -0.055 1
1 262 . 19 1 1 A 33 33 THR C C 67 173.388 173.647 -0.259 1
1 263 . 19 1 1 A 33 33 THR CA C 67 60.207 61.006 -0.799 1
1 264 . 19 1 1 A 33 33 THR CB C 67 71.620 71.752 -0.132 1
1 266 . 19 1 1 A 33 33 THR N N 67 114.847 114.522 0.325 1
1 267 . 19 1 1 A 34 34 ALA H H 68 9.185 8.946 0.239 1
1 268 . 19 1 1 A 34 34 ALA HA H 68 4.873 4.898 -0.025 1
1 272 . 19 1 1 A 34 34 ALA C C 68 174.999 175.837 -0.838 1
1 273 . 19 1 1 A 34 34 ALA CA C 68 50.660 51.521 -0.861 1
1 274 . 19 1 1 A 34 34 ALA CB C 68 23.911 23.727 0.184 1
1 275 . 19 1 1 A 34 34 ALA N N 68 125.817 124.170 1.647 1
1 276 . 19 1 1 A 35 35 ALA H H 69 8.347 8.481 -0.134 1
1 277 . 19 1 1 A 35 35 ALA HA H 69 4.889 4.793 0.096 1
1 281 . 19 1 1 A 35 35 ALA C C 69 176.937 176.847 0.090 1
1 282 . 19 1 1 A 35 35 ALA CA C 69 51.329 51.559 -0.230 1
1 283 . 19 1 1 A 35 35 ALA CB C 69 19.210 19.897 -0.687 1
1 284 . 19 1 1 A 35 35 ALA N N 69 122.342 122.285 0.057 1
1 285 . 19 1 1 A 36 36 ALA H H 70 8.468 8.614 -0.146 1
1 286 . 19 1 1 A 36 36 ALA HA H 70 4.996 4.784 0.212 1
1 290 . 19 1 1 A 36 36 ALA C C 70 175.102 175.453 -0.351 1
1 291 . 19 1 1 A 36 36 ALA CA C 70 50.876 51.810 -0.934 1
1 292 . 19 1 1 A 36 36 ALA CB C 70 23.556 23.169 0.387 1
1 293 . 19 1 1 A 36 36 ALA N N 70 120.267 125.093 -4.826 1
1 294 . 19 1 1 A 37 37 HIS H H 71 9.136 8.775 0.361 1
1 295 . 19 1 1 A 37 37 HIS HA H 71 5.343 5.376 -0.033 1
1 298 . 19 1 1 A 37 37 HIS C C 71 174.002 174.589 -0.587 1
1 299 . 19 1 1 A 37 37 HIS CA C 71 54.803 55.938 -1.135 1
1 300 . 19 1 1 A 37 37 HIS CB C 71 32.322 33.942 -1.620 1
1 301 . 19 1 1 A 37 37 HIS N N 71 119.360 117.201 2.159 1
1 302 . 19 1 1 A 38 38 VAL H H 72 8.557 9.138 -0.581 1
1 303 . 19 1 1 A 38 38 VAL HA H 72 4.174 4.440 -0.266 1
1 311 . 19 1 1 A 38 38 VAL C C 72 174.000 173.809 0.191 1
1 312 . 19 1 1 A 38 38 VAL CA C 72 61.587 61.218 0.369 1
1 313 . 19 1 1 A 38 38 VAL CB C 72 31.381 31.560 -0.179 1
1 316 . 19 1 1 A 38 38 VAL N N 72 127.947 124.052 3.895 1
1 317 . 19 1 1 A 39 39 GLN H H 73 8.971 8.987 -0.016 1
1 318 . 19 1 1 A 39 39 GLN HA H 73 5.019 4.375 0.644 1
1 321 . 19 1 1 A 39 39 GLN C C 73 173.260 174.516 -1.256 1
1 322 . 19 1 1 A 39 39 GLN CA C 73 51.310 52.454 -1.144 1
1 323 . 19 1 1 A 39 39 GLN CB C 73 30.955 31.482 -0.527 1
1 324 . 19 1 1 A 39 39 GLN N N 73 127.985 128.283 -0.298 1
1 325 . 19 1 1 A 40 40 PRO HA H 74 4.707 4.073 0.634 1
1 329 . 19 1 1 A 40 40 PRO C C 74 3.820 176.740 -172.920 1
1 330 . 19 1 1 A 40 40 PRO CA C 74 176.828 62.067 114.761 1
1 331 . 19 1 1 A 40 40 PRO CB C 74 62.215 32.027 30.188 1
1 333 . 19 1 1 A 40 40 PRO N N 74 50.800 139.238 -88.438 1
1 334 . 19 1 1 A 41 41 ILE H H 75 8.105 7.952 0.153 1
1 335 . 19 1 1 A 41 41 ILE HA H 75 4.074 4.072 0.002 1
1 338 . 19 1 1 A 41 41 ILE C C 75 175.881 175.028 0.853 1
1 339 . 19 1 1 A 41 41 ILE CA C 75 61.399 60.817 0.582 1
1 340 . 19 1 1 A 41 41 ILE CB C 75 38.214 37.063 1.151 1
1 342 . 19 1 1 A 41 41 ILE N N 75 122.818 118.022 4.796 1
1 343 . 19 1 1 A 43 43 GLN HA H 77 4.267 4.746 -0.479 1
1 344 . 19 1 1 A 43 43 GLN C C 77 176.255 176.290 -0.035 1
1 345 . 19 1 1 A 43 43 GLN CA C 77 56.500 54.482 2.018 1
1 346 . 19 1 1 A 43 43 GLN CB C 77 29.100 29.626 -0.526 1
1 347 . 19 1 1 A 44 44 GLU H H 78 8.458 8.789 -0.331 1
1 348 . 19 1 1 A 44 44 GLU HA H 78 4.184 4.361 -0.177 1
1 351 . 19 1 1 A 44 44 GLU C C 78 177.000 176.629 0.371 1
1 352 . 19 1 1 A 44 44 GLU CA C 78 57.400 58.476 -1.076 1
1 353 . 19 1 1 A 44 44 GLU CB C 78 29.148 30.462 -1.314 1
1 355 . 19 1 1 A 44 44 GLU N N 78 120.627 119.413 1.214 1
1 356 . 19 1 1 A 45 45 GLU H H 79 8.283 8.245 0.038 1
1 357 . 19 1 1 A 45 45 GLU HA H 79 4.121 4.451 -0.330 1
1 360 . 19 1 1 A 45 45 GLU C C 79 176.972 176.531 0.441 1
1 361 . 19 1 1 A 45 45 GLU CA C 79 57.106 54.454 2.652 1
1 362 . 19 1 1 A 45 45 GLU CB C 79 29.680 28.058 1.622 1
1 364 . 19 1 1 A 45 45 GLU N N 79 119.997 118.678 1.319 1
1 365 . 19 1 1 A 46 46 TYR H H 80 7.961 7.655 0.306 1
1 366 . 19 1 1 A 46 46 TYR HA H 80 4.369 4.571 -0.202 1
1 369 . 19 1 1 A 46 46 TYR C C 80 176.086 174.903 1.183 1
1 370 . 19 1 1 A 46 46 TYR CA C 80 58.284 58.681 -0.397 1
1 371 . 19 1 1 A 46 46 TYR CB C 80 38.214 39.813 -1.599 1
1 372 . 19 1 1 A 46 46 TYR N N 80 119.582 121.055 -1.473 1
1 373 . 19 1 1 A 47 47 TYR H H 81 7.918 7.488 0.430 1
1 374 . 19 1 1 A 47 47 TYR HA H 81 4.399 4.397 0.002 1
1 378 . 19 1 1 A 47 47 TYR C C 81 176.566 175.825 0.741 1
1 379 . 19 1 1 A 47 47 TYR CA C 81 58.479 59.780 -1.301 1
1 380 . 19 1 1 A 47 47 TYR CB C 81 38.042 38.394 -0.352 1
1 381 . 19 1 1 A 47 47 TYR N N 81 119.336 120.653 -1.317 1
1 382 . 19 1 1 A 48 48 LYS HA H 82 4.090 4.571 -0.481 1
1 383 . 19 1 1 A 48 48 LYS C C 82 176.894 176.774 0.120 1
1 384 . 19 1 1 A 48 48 LYS CA C 82 56.786 56.848 -0.062 1
1 385 . 19 1 1 A 48 48 LYS CB C 82 32.306 33.872 -1.566 1
1 386 . 19 1 1 A 49 49 ALA H H 83 7.999 8.141 -0.142 1
1 387 . 19 1 1 A 49 49 ALA HA H 83 4.178 4.431 -0.253 1
1 391 . 19 1 1 A 49 49 ALA C C 83 178.193 178.217 -0.024 1
1 392 . 19 1 1 A 49 49 ALA CA C 83 52.825 53.406 -0.581 1
1 393 . 19 1 1 A 49 49 ALA CB C 83 18.200 20.476 -2.276 1
1 394 . 19 1 1 A 49 49 ALA N N 83 122.394 121.524 0.870 1
1 395 . 19 1 1 A 50 50 GLN H H 84 8.006 8.280 -0.274 1
1 396 . 19 1 1 A 50 50 GLN HA H 84 4.167 4.505 -0.338 1
1 400 . 19 1 1 A 50 50 GLN C C 84 176.200 175.048 1.152 1
1 401 . 19 1 1 A 50 50 GLN CA C 84 56.016 58.114 -2.098 1
1 402 . 19 1 1 A 50 50 GLN CB C 84 28.467 28.550 -0.083 1
1 404 . 19 1 1 A 50 50 GLN N N 84 116.623 117.269 -0.646 1
1 405 . 19 1 1 A 51 51 GLN H H 85 8.085 7.721 0.364 1
1 406 . 19 1 1 A 51 51 GLN HA H 85 4.223 4.933 -0.710 1
1 410 . 19 1 1 A 51 51 GLN CA C 85 56.393 54.005 2.388 1
1 411 . 19 1 1 A 51 51 GLN CB C 85 28.600 32.185 -3.585 1
1 413 . 19 1 1 A 51 51 GLN N N 85 118.681 117.705 0.976 1
1 414 . 19 1 1 A 53 53 GLN HA H 87 4.268 4.875 -0.607 1
1 415 . 19 1 1 A 53 53 GLN C C 87 175.517 174.430 1.087 1
1 416 . 19 1 1 A 53 53 GLN CA C 87 55.821 54.802 1.019 1
1 417 . 19 1 1 A 53 53 GLN CB C 87 28.296 30.088 -1.792 1
1 418 . 19 1 1 A 54 54 THR H H 88 7.950 8.882 -0.932 1
1 419 . 19 1 1 A 54 54 THR HA H 88 4.540 4.872 -0.332 1
1 422 . 19 1 1 A 54 54 THR C C 88 172.445 172.031 0.414 1
1 423 . 19 1 1 A 54 54 THR CA C 88 59.184 58.400 0.784 1
1 424 . 19 1 1 A 54 54 THR CB C 88 69.534 72.131 -2.597 1
1 426 . 19 1 1 A 54 54 THR N N 88 116.337 119.704 -3.367 1
1 427 . 19 1 1 A 55 55 PRO HA H 89 4.410 4.863 -0.453 1
1 431 . 19 1 1 A 55 55 PRO C C 89 3.600 176.053 -172.453 1
1 432 . 19 1 1 A 55 55 PRO CA C 89 176.508 62.183 114.325 1
1 433 . 19 1 1 A 55 55 PRO CB C 89 62.325 31.817 30.508 1
1 436 . 19 1 1 A 55 55 PRO N N 89 50.400 138.061 -87.661 1
1 437 . 19 1 1 A 56 56 ILE H H 90 8.247 8.503 -0.256 1
1 438 . 19 1 1 A 56 56 ILE HA H 90 3.993 4.421 -0.428 1
1 443 . 19 1 1 A 56 56 ILE C C 90 175.132 174.495 0.637 1
1 444 . 19 1 1 A 56 56 ILE CA C 90 60.718 60.176 0.542 1
1 445 . 19 1 1 A 56 56 ILE CB C 90 38.277 38.282 -0.005 1
1 447 . 19 1 1 A 56 56 ILE N N 90 121.921 121.813 0.108 1
1 448 . 19 1 1 A 57 57 GLY H H 91 7.820 7.984 -0.164 1
1 449 . 19 1 1 A 57 57 GLY HA2 H 91 4.550 4.195 0.355 1
1 450 . 19 1 1 A 57 57 GLY HA3 H 91 3.640 4.246 -0.606 1
1 451 . 19 1 1 A 57 57 GLY C C 91 172.184 170.882 1.302 1
1 452 . 19 1 1 A 57 57 GLY CA C 91 43.575 45.898 -2.323 1
1 453 . 19 1 1 A 57 57 GLY N N 91 110.987 115.057 -4.070 1
1 454 . 19 1 1 A 58 58 TYR H H 92 8.593 8.792 -0.199 1
1 455 . 19 1 1 A 58 58 TYR HA H 92 5.166 5.428 -0.262 1
1 460 . 19 1 1 A 58 58 TYR C C 92 175.122 174.061 1.061 1
1 461 . 19 1 1 A 58 58 TYR CA C 92 56.544 56.553 -0.009 1
1 462 . 19 1 1 A 58 58 TYR CB C 92 43.819 43.176 0.643 1
1 465 . 19 1 1 A 58 58 TYR N N 92 116.307 119.433 -3.126 1
1 466 . 19 1 1 A 59 59 ASN H H 93 8.964 9.350 -0.386 1
1 467 . 19 1 1 A 59 59 ASN HA H 93 5.116 5.636 -0.520 1
1 470 . 19 1 1 A 59 59 ASN C C 93 173.457 174.027 -0.570 1
1 471 . 19 1 1 A 59 59 ASN CA C 93 52.717 51.942 0.775 1
1 472 . 19 1 1 A 59 59 ASN CB C 93 40.420 41.600 -1.180 1
1 473 . 19 1 1 A 59 59 ASN N N 93 119.232 119.756 -0.524 1
1 474 . 19 1 1 A 60 60 ILE H H 94 9.013 8.604 0.409 1
1 475 . 19 1 1 A 60 60 ILE HA H 94 4.383 5.107 -0.724 1
1 476 . 19 1 1 A 60 60 ILE C C 94 173.370 173.099 0.271 1
1 477 . 19 1 1 A 60 60 ILE CA C 94 60.231 59.623 0.608 1
1 478 . 19 1 1 A 60 60 ILE CB C 94 38.728 42.026 -3.298 1
1 479 . 19 1 1 A 60 60 ILE N N 94 123.021 125.447 -2.426 1
1 480 . 19 1 1 A 61 61 TYR H H 95 8.867 8.594 0.273 1
1 481 . 19 1 1 A 61 61 TYR HA H 95 5.279 5.583 -0.304 1
1 486 . 19 1 1 A 61 61 TYR C C 95 174.262 174.068 0.194 1
1 487 . 19 1 1 A 61 61 TYR CA C 95 55.732 55.810 -0.078 1
1 488 . 19 1 1 A 61 61 TYR CB C 95 39.723 41.740 -2.017 1
1 491 . 19 1 1 A 61 61 TYR N N 95 125.343 125.544 -0.201 1
1 492 . 19 1 1 A 62 62 THR H H 96 8.998 8.414 0.584 1
1 493 . 19 1 1 A 62 62 THR HA H 96 4.889 4.379 0.510 1
1 496 . 19 1 1 A 62 62 THR C C 96 172.708 171.942 0.766 1
1 497 . 19 1 1 A 62 62 THR CA C 96 58.248 58.899 -0.651 1
1 498 . 19 1 1 A 62 62 THR CB C 96 73.097 71.671 1.426 1
1 500 . 19 1 1 A 62 62 THR N N 96 119.223 119.790 -0.567 1
1 501 . 19 1 1 A 63 63 PRO HA H 97 4.410 4.733 -0.323 1
1 503 . 19 1 1 A 63 63 PRO C C 97 3.190 177.377 -174.187 1
1 504 . 19 1 1 A 63 63 PRO CA C 97 175.250 62.957 112.293 1
1 505 . 19 1 1 A 63 63 PRO CB C 97 63.642 32.218 31.424 1
1 507 . 19 1 1 A 63 63 PRO N N 97 51.700 138.169 -86.469 1
1 508 . 19 1 1 A 64 64 TYR H H 98 7.826 8.995 -1.169 1
1 509 . 19 1 1 A 64 64 TYR HA H 98 4.265 4.200 0.065 1
1 514 . 19 1 1 A 64 64 TYR C C 98 175.150 174.375 0.775 1
1 515 . 19 1 1 A 64 64 TYR CA C 98 59.434 60.428 -0.994 1
1 516 . 19 1 1 A 64 64 TYR CB C 98 37.240 37.529 -0.289 1
1 518 . 19 1 1 A 64 64 TYR N N 98 122.118 122.773 -0.655 1
1 519 . 19 1 1 A 65 65 ASP H H 99 5.931 8.637 -2.706 1
1 520 . 19 1 1 A 65 65 ASP HA H 99 4.255 4.881 -0.626 1
1 523 . 19 1 1 A 65 65 ASP C C 99 176.079 174.905 1.174 1
1 524 . 19 1 1 A 65 65 ASP CA C 99 52.885 52.711 0.174 1
1 525 . 19 1 1 A 65 65 ASP CB C 99 43.486 43.893 -0.407 1
1 526 . 19 1 1 A 65 65 ASP N N 99 125.409 120.501 4.908 1
1 527 . 19 1 1 A 66 66 ASP H H 100 8.703 8.863 -0.160 1
1 528 . 19 1 1 A 66 66 ASP HA H 100 4.058 4.730 -0.672 1
1 531 . 19 1 1 A 66 66 ASP C C 100 176.300 175.807 0.493 1
1 532 . 19 1 1 A 66 66 ASP CA C 100 55.332 53.019 2.313 1
1 533 . 19 1 1 A 66 66 ASP CB C 100 40.206 38.880 1.326 1
1 534 . 19 1 1 A 66 66 ASP N N 100 128.295 124.208 4.087 1
1 535 . 19 1 1 A 67 67 ARG H H 101 8.832 7.909 0.923 1
1 536 . 19 1 1 A 67 67 ARG HA H 101 3.944 3.868 0.076 1
1 538 . 19 1 1 A 67 67 ARG C C 101 177.624 176.379 1.245 1
1 539 . 19 1 1 A 67 67 ARG CA C 101 56.509 58.502 -1.993 1
1 540 . 19 1 1 A 67 67 ARG CB C 101 31.162 30.023 1.139 1
1 541 . 19 1 1 A 67 67 ARG N N 101 117.507 122.276 -4.769 1
1 542 . 19 1 1 A 68 68 ILE H H 102 7.004 7.284 -0.280 1
1 543 . 19 1 1 A 68 68 ILE HA H 102 3.507 4.287 -0.780 1
1 548 . 19 1 1 A 68 68 ILE C C 102 174.835 175.085 -0.250 1
1 549 . 19 1 1 A 68 68 ILE CA C 102 63.638 61.158 2.480 1
1 550 . 19 1 1 A 68 68 ILE CB C 102 36.617 39.131 -2.514 1
1 552 . 19 1 1 A 68 68 ILE N N 102 116.003 116.914 -0.911 1
1 553 . 19 1 1 A 69 69 ASP H H 103 8.026 8.568 -0.542 1
1 554 . 19 1 1 A 69 69 ASP HA H 103 4.954 5.063 -0.109 1
1 557 . 19 1 1 A 69 69 ASP C C 103 175.574 175.129 0.445 1
1 558 . 19 1 1 A 69 69 ASP CA C 103 52.485 52.539 -0.054 1
1 559 . 19 1 1 A 69 69 ASP CB C 103 45.984 44.877 1.107 1
1 560 . 19 1 1 A 69 69 ASP N N 103 129.672 123.516 6.156 1
1 561 . 19 1 1 A 70 70 LYS H H 104 8.505 8.460 0.045 1
1 562 . 19 1 1 A 70 70 LYS C C 104 175.300 176.260 -0.960 1
1 563 . 19 1 1 A 70 70 LYS CA C 104 58.027 57.613 0.414 1
1 564 . 19 1 1 A 70 70 LYS CB C 104 31.376 33.039 -1.663 1
1 565 . 19 1 1 A 70 70 LYS N N 104 119.646 121.182 -1.536 1
1 566 . 19 1 1 A 71 71 LYS H H 105 8.653 7.738 0.915 1
1 567 . 19 1 1 A 71 71 LYS HA H 105 4.513 4.487 0.026 1
1 571 . 19 1 1 A 71 71 LYS C C 105 178.190 174.473 3.717 1
1 572 . 19 1 1 A 71 71 LYS CA C 105 56.415 55.332 1.083 1
1 573 . 19 1 1 A 71 71 LYS CB C 105 30.942 33.170 -2.228 1
1 575 . 19 1 1 A 71 71 LYS N N 105 118.554 118.231 0.323 1
1 576 . 19 1 1 A 72 72 MET H H 106 7.596 7.969 -0.373 1
1 577 . 19 1 1 A 72 72 MET HA H 106 5.019 5.048 -0.029 1
1 578 . 19 1 1 A 72 72 MET C C 106 172.309 173.687 -1.378 1
1 579 . 19 1 1 A 72 72 MET CA C 106 56.500 54.244 2.256 1
1 580 . 19 1 1 A 72 72 MET CB C 106 34.892 35.774 -0.882 1
1 581 . 19 1 1 A 72 72 MET N N 106 119.949 122.849 -2.900 1
1 582 . 19 1 1 A 73 73 ARG H H 107 8.266 8.662 -0.396 1
1 583 . 19 1 1 A 73 73 ARG HA H 107 4.075 5.314 -1.239 1
1 585 . 19 1 1 A 73 73 ARG C C 107 172.995 174.287 -1.292 1
1 586 . 19 1 1 A 73 73 ARG CA C 107 53.348 54.478 -1.130 1
1 587 . 19 1 1 A 73 73 ARG CB C 107 31.579 34.232 -2.653 1
1 588 . 19 1 1 A 73 73 ARG N N 107 112.423 123.754 -11.331 1
1 589 . 19 1 1 A 74 74 VAL H H 108 8.371 8.891 -0.520 1
1 590 . 19 1 1 A 74 74 VAL HA H 108 4.954 4.639 0.315 1
1 598 . 19 1 1 A 74 74 VAL C C 108 173.137 173.663 -0.526 1
1 599 . 19 1 1 A 74 74 VAL CA C 108 58.400 59.594 -1.194 1
1 600 . 19 1 1 A 74 74 VAL CB C 108 35.700 35.648 0.052 1
1 603 . 19 1 1 A 74 74 VAL N N 108 117.751 122.091 -4.340 1
1 604 . 19 1 1 A 75 75 ILE H H 109 8.644 8.823 -0.179 1
1 605 . 19 1 1 A 75 75 ILE HA H 109 4.772 4.700 0.072 1
1 610 . 19 1 1 A 75 75 ILE C C 109 176.377 173.904 2.473 1
1 611 . 19 1 1 A 75 75 ILE CA C 109 57.500 60.227 -2.727 1
1 612 . 19 1 1 A 75 75 ILE CB C 109 35.550 38.476 -2.926 1
1 614 . 19 1 1 A 75 75 ILE N N 109 122.741 126.338 -3.597 1
1 615 . 19 1 1 A 76 76 TYR H H 110 8.928 8.562 0.366 1
1 616 . 19 1 1 A 76 76 TYR HA H 110 4.873 4.614 0.259 1
1 621 . 19 1 1 A 76 76 TYR C C 110 173.400 175.833 -2.433 1
1 622 . 19 1 1 A 76 76 TYR CA C 110 54.699 56.953 -2.254 1
1 623 . 19 1 1 A 76 76 TYR CB C 110 40.392 39.304 1.088 1
1 626 . 19 1 1 A 76 76 TYR N N 110 129.091 129.514 -0.423 1
1 627 . 19 1 1 A 77 77 ARG H H 111 9.206 8.401 0.805 1
1 628 . 19 1 1 A 77 77 ARG HA H 111 3.537 3.946 -0.409 1
1 633 . 19 1 1 A 77 77 ARG C C 111 176.065 176.157 -0.092 1
1 634 . 19 1 1 A 77 77 ARG CA C 111 56.490 56.809 -0.319 1
1 635 . 19 1 1 A 77 77 ARG CB C 111 27.448 27.806 -0.358 1
1 636 . 19 1 1 A 77 77 ARG N N 111 126.774 126.535 0.239 1
1 637 . 19 1 1 A 78 78 GLY H H 112 8.155 8.364 -0.209 1
1 638 . 19 1 1 A 78 78 GLY HA2 H 112 4.040 3.799 0.241 1
1 639 . 19 1 1 A 78 78 GLY HA3 H 112 3.540 3.803 -0.263 1
1 640 . 19 1 1 A 78 78 GLY C C 112 173.810 173.499 0.311 1
1 641 . 19 1 1 A 78 78 GLY CA C 112 45.284 45.401 -0.117 1
1 642 . 19 1 1 A 78 78 GLY N N 112 102.172 108.990 -6.818 1
1 643 . 19 1 1 A 79 79 LYS HA H 113 3.910 4.641 -0.731 1
1 644 . 19 1 1 A 79 79 LYS C C 113 174.750 175.209 -0.459 1
1 645 . 19 1 1 A 79 79 LYS CA C 113 53.808 54.914 -1.106 1
1 646 . 19 1 1 A 79 79 LYS CB C 113 33.298 34.719 -1.421 1
1 647 . 19 1 1 A 80 80 ILE H H 114 8.484 8.899 -0.415 1
1 648 . 19 1 1 A 80 80 ILE HA H 114 3.860 4.742 -0.882 1
1 653 . 19 1 1 A 80 80 ILE C C 114 174.732 175.286 -0.554 1
1 654 . 19 1 1 A 80 80 ILE CA C 114 61.130 59.913 1.217 1
1 655 . 19 1 1 A 80 80 ILE CB C 114 37.740 37.666 0.074 1
1 657 . 19 1 1 A 80 80 ILE N N 114 121.186 128.629 -7.443 1
1 658 . 19 1 1 A 81 81 VAL H H 115 9.395 8.751 0.644 1
1 659 . 19 1 1 A 81 81 VAL HA H 115 4.645 5.152 -0.507 1
1 664 . 19 1 1 A 81 81 VAL C C 115 174.934 174.643 0.291 1
1 665 . 19 1 1 A 81 81 VAL CA C 115 60.401 59.026 1.375 1
1 666 . 19 1 1 A 81 81 VAL CB C 115 32.142 35.576 -3.434 1
1 668 . 19 1 1 A 81 81 VAL N N 115 129.212 120.773 8.439 1
1 669 . 19 1 1 A 82 82 THR H H 116 8.661 8.721 -0.060 1
1 670 . 19 1 1 A 82 82 THR HA H 116 4.483 5.303 -0.820 1
1 673 . 19 1 1 A 82 82 THR C C 116 175.000 174.470 0.530 1
1 674 . 19 1 1 A 82 82 THR CA C 116 59.911 59.940 -0.029 1
1 675 . 19 1 1 A 82 82 THR CB C 116 69.844 70.953 -1.109 1
1 677 . 19 1 1 A 82 82 THR N N 116 120.129 114.863 5.266 1
1 678 . 19 1 1 A 83 83 PHE H H 117 9.153 8.611 0.542 1
1 679 . 19 1 1 A 83 83 PHE HA H 117 5.003 5.633 -0.630 1
1 681 . 19 1 1 A 83 83 PHE C C 117 177.126 172.918 4.208 1
1 682 . 19 1 1 A 83 83 PHE CA C 117 55.003 55.655 -0.652 1
1 683 . 19 1 1 A 83 83 PHE CB C 117 37.018 42.466 -5.448 1
1 684 . 19 1 1 A 83 83 PHE N N 117 123.251 117.513 5.738 1
1 685 . 19 1 1 A 84 84 ILE H H 118 8.882 8.773 0.109 1
1 686 . 19 1 1 A 84 84 ILE HA H 118 4.320 4.727 -0.407 1
1 695 . 19 1 1 A 84 84 ILE C C 118 175.958 174.697 1.261 1
1 696 . 19 1 1 A 84 84 ILE CA C 118 60.275 58.587 1.688 1
1 697 . 19 1 1 A 84 84 ILE CB C 118 37.057 41.380 -4.323 1
1 700 . 19 1 1 A 84 84 ILE N N 118 122.450 116.592 5.858 1
1 701 . 19 1 1 A 85 85 GLY H H 119 8.198 8.542 -0.344 1
1 702 . 19 1 1 A 85 85 GLY HA2 H 119 4.050 4.234 -0.184 1
1 703 . 19 1 1 A 85 85 GLY HA3 H 119 3.900 4.288 -0.388 1
1 704 . 19 1 1 A 85 85 GLY C C 119 172.376 171.624 0.752 1
1 705 . 19 1 1 A 85 85 GLY CA C 119 44.033 44.212 -0.179 1
1 706 . 19 1 1 A 85 85 GLY N N 119 112.995 109.409 3.586 1
1 707 . 19 1 1 A 86 86 ASP H H 120 8.132 8.490 -0.358 1
1 708 . 19 1 1 A 86 86 ASP HA H 120 4.938 5.269 -0.331 1
1 711 . 19 1 1 A 86 86 ASP C C 120 175.418 174.765 0.653 1
1 712 . 19 1 1 A 86 86 ASP CA C 120 52.656 50.569 2.087 1
1 713 . 19 1 1 A 86 86 ASP CB C 120 40.163 43.146 -2.983 1
1 714 . 19 1 1 A 86 86 ASP N N 120 119.130 120.836 -1.706 1
1 715 . 19 1 1 A 87 87 PRO HA H 121 4.470 4.923 -0.453 1
1 719 . 19 1 1 A 87 87 PRO CA C 121 175.750 62.367 113.383 1
1 720 . 19 1 1 A 87 87 PRO CB C 121 62.414 31.916 30.498 1
1 723 . 19 1 1 A 87 87 PRO N N 121 49.700 139.663 -89.963 1
1 724 . 19 1 1 A 88 88 VAL H H 122 8.707 9.031 -0.324 1
1 725 . 19 1 1 A 88 88 VAL HA H 122 4.400 4.827 -0.427 1
1 733 . 19 1 1 A 88 88 VAL C C 122 174.250 173.594 0.656 1
1 734 . 19 1 1 A 88 88 VAL CA C 122 60.598 59.673 0.925 1
1 735 . 19 1 1 A 88 88 VAL CB C 122 34.847 35.921 -1.074 1
1 738 . 19 1 1 A 88 88 VAL N N 122 121.987 121.683 0.304 1
1 739 . 19 1 1 A 89 89 ASP H H 123 8.437 8.626 -0.189 1
1 740 . 19 1 1 A 89 89 ASP HA H 123 5.068 5.258 -0.190 1
1 743 . 19 1 1 A 89 89 ASP C C 123 177.435 176.182 1.253 1
1 744 . 19 1 1 A 89 89 ASP CA C 123 52.751 52.687 0.064 1
1 745 . 19 1 1 A 89 89 ASP CB C 123 40.191 41.836 -1.645 1
1 746 . 19 1 1 A 89 89 ASP N N 123 125.856 126.819 -0.963 1
1 747 . 19 1 1 A 90 90 LEU H H 124 8.793 8.935 -0.142 1
1 748 . 19 1 1 A 90 90 LEU HA H 124 4.047 4.355 -0.308 1
1 749 . 19 1 1 A 90 90 LEU CA C 124 56.836 55.710 1.126 1
1 750 . 19 1 1 A 90 90 LEU CB C 124 41.301 42.054 -0.753 1
1 751 . 19 1 1 A 90 90 LEU N N 124 128.178 125.981 2.197 1
1 752 . 19 1 1 A 91 91 SER H H 125 8.927 7.627 1.300 1
1 753 . 19 1 1 A 91 91 SER HA H 125 4.287 4.824 -0.537 1
1 754 . 19 1 1 A 91 91 SER C C 125 173.984 174.048 -0.064 1
1 755 . 19 1 1 A 91 91 SER CA C 125 58.498 57.654 0.844 1
1 756 . 19 1 1 A 91 91 SER CB C 125 63.600 65.076 -1.476 1
1 757 . 19 1 1 A 91 91 SER N N 125 115.226 113.471 1.755 1
1 758 . 19 1 1 A 92 92 GLY H H 126 8.250 8.870 -0.620 1
1 759 . 19 1 1 A 92 92 GLY HA2 H 126 3.950 3.576 0.374 1
1 760 . 19 1 1 A 92 92 GLY HA3 H 126 3.670 3.955 -0.285 1
1 761 . 19 1 1 A 92 92 GLY C C 126 174.700 174.508 0.192 1
1 762 . 19 1 1 A 92 92 GLY CA C 126 45.900 45.483 0.417 1
1 763 . 19 1 1 A 92 92 GLY N N 126 109.395 114.241 -4.846 1
1 764 . 19 1 1 A 94 94 GLN C C 128 174.459 175.169 -0.710 1
1 765 . 19 1 1 A 94 94 GLN CA C 128 56.434 55.719 0.715 1
1 766 . 19 1 1 A 94 94 GLN CB C 128 25.491 29.284 -3.793 1
1 767 . 19 1 1 A 95 95 GLU H H 129 8.474 7.624 0.850 1
1 768 . 19 1 1 A 95 95 GLU HA H 129 4.596 3.297 1.299 1
1 772 . 19 1 1 A 95 95 GLU C C 129 177.559 174.545 3.014 1
1 773 . 19 1 1 A 95 95 GLU CA C 129 57.183 57.181 0.002 1
1 774 . 19 1 1 A 95 95 GLU CB C 129 31.432 26.942 4.490 1
1 775 . 19 1 1 A 95 95 GLU N N 129 115.145 115.866 -0.721 1
1 776 . 19 1 1 A 96 96 ILE H H 130 9.393 7.611 1.782 1
1 777 . 19 1 1 A 96 96 ILE HA H 130 4.660 4.955 -0.295 1
1 782 . 19 1 1 A 96 96 ILE C C 130 173.821 174.428 -0.607 1
1 783 . 19 1 1 A 96 96 ILE CA C 130 59.481 59.560 -0.079 1
1 784 . 19 1 1 A 96 96 ILE CB C 130 41.386 41.486 -0.100 1
1 785 . 19 1 1 A 96 96 ILE N N 130 124.603 118.914 5.689 1
1 786 . 19 1 1 A 97 97 THR H H 131 9.341 8.579 0.762 1
1 787 . 19 1 1 A 97 97 THR HA H 131 5.135 5.268 -0.133 1
1 790 . 19 1 1 A 97 97 THR C C 131 172.742 174.056 -1.314 1
1 791 . 19 1 1 A 97 97 THR CA C 131 62.458 60.850 1.608 1
1 792 . 19 1 1 A 97 97 THR CB C 131 69.995 70.097 -0.102 1
1 794 . 19 1 1 A 97 97 THR N N 131 125.280 122.052 3.228 1
1 795 . 19 1 1 A 98 98 ARG H H 132 9.286 9.399 -0.113 1
1 796 . 19 1 1 A 98 98 ARG HA H 132 5.263 5.157 0.106 1
1 802 . 19 1 1 A 98 98 ARG C C 132 175.462 174.554 0.908 1
1 803 . 19 1 1 A 98 98 ARG CA C 132 53.122 54.708 -1.586 1
1 804 . 19 1 1 A 98 98 ARG CB C 132 32.555 33.209 -0.654 1
1 805 . 19 1 1 A 98 98 ARG N N 132 126.525 123.422 3.103 1
1 806 . 19 1 1 A 99 99 ILE H H 133 9.338 8.656 0.682 1
1 807 . 19 1 1 A 99 99 ILE HA H 133 3.959 5.053 -1.094 1
1 816 . 19 1 1 A 99 99 ILE C C 133 173.860 173.176 0.684 1
1 817 . 19 1 1 A 99 99 ILE CA C 133 59.719 59.310 0.409 1
1 818 . 19 1 1 A 99 99 ILE CB C 133 41.429 42.057 -0.628 1
1 821 . 19 1 1 A 99 99 ILE N N 133 129.483 122.690 6.793 1
1 822 . 19 1 1 A 100 100 LYS H H 134 8.457 9.098 -0.641 1
1 823 . 19 1 1 A 100 100 LYS HA H 134 4.990 5.343 -0.353 1
1 824 . 19 1 1 A 100 100 LYS C C 134 175.750 175.683 0.067 1
1 825 . 19 1 1 A 100 100 LYS CA C 134 54.548 54.624 -0.076 1
1 826 . 19 1 1 A 100 100 LYS CB C 134 32.800 35.253 -2.453 1
1 827 . 19 1 1 A 100 100 LYS N N 134 128.506 129.399 -0.893 1
1 828 . 19 1 1 A 101 101 GLY H H 135 8.968 8.667 0.301 1
1 829 . 19 1 1 A 101 101 GLY HA2 H 135 5.350 4.431 0.919 1
1 830 . 19 1 1 A 101 101 GLY HA3 H 135 3.290 4.478 -1.188 1
1 831 . 19 1 1 A 101 101 GLY C C 135 171.558 172.321 -0.763 1
1 832 . 19 1 1 A 101 101 GLY CA C 135 44.286 44.814 -0.528 1
1 833 . 19 1 1 A 101 101 GLY N N 135 110.167 113.015 -2.848 1
1 834 . 19 1 1 A 102 102 LYS H H 136 9.158 9.149 0.009 1
1 835 . 19 1 1 A 102 102 LYS C C 136 174.516 174.800 -0.284 1
1 836 . 19 1 1 A 102 102 LYS CA C 136 53.781 54.260 -0.479 1
1 837 . 19 1 1 A 102 102 LYS CB C 136 34.807 36.436 -1.629 1
1 838 . 19 1 1 A 102 102 LYS N N 136 119.838 121.876 -2.038 1
1 839 . 19 1 1 A 103 103 GLU H H 137 8.711 8.977 -0.266 1
1 840 . 19 1 1 A 103 103 GLU HA H 137 4.709 4.925 -0.216 1
1 841 . 19 1 1 A 103 103 GLU C C 137 176.875 175.344 1.531 1
1 842 . 19 1 1 A 103 103 GLU CA C 137 56.833 55.411 1.422 1
1 843 . 19 1 1 A 103 103 GLU CB C 137 30.640 31.301 -0.661 1
1 844 . 19 1 1 A 103 103 GLU N N 137 124.293 119.676 4.617 1
1 845 . 19 1 1 A 104 104 ASP H H 138 9.334 8.786 0.548 1
1 846 . 19 1 1 A 104 104 ASP HA H 138 4.954 4.917 0.037 1
1 849 . 19 1 1 A 104 104 ASP C C 138 175.340 176.143 -0.803 1
1 850 . 19 1 1 A 104 104 ASP CA C 138 53.107 53.240 -0.133 1
1 851 . 19 1 1 A 104 104 ASP CB C 138 42.374 40.278 2.096 1
1 852 . 19 1 1 A 104 104 ASP N N 138 127.542 124.992 2.550 1
1 853 . 19 1 1 A 105 105 GLY H H 139 7.732 8.892 -1.160 1
1 854 . 19 1 1 A 105 105 GLY HA2 H 139 4.360 3.875 0.485 1
1 855 . 19 1 1 A 105 105 GLY HA3 H 139 3.800 3.881 -0.081 1
1 856 . 19 1 1 A 105 105 GLY C C 139 172.374 174.876 -2.502 1
1 857 . 19 1 1 A 105 105 GLY CA C 139 43.800 47.354 -3.554 1
1 858 . 19 1 1 A 105 105 GLY N N 139 106.466 112.740 -6.274 1
1 859 . 19 1 1 A 106 106 ALA H H 140 8.191 8.450 -0.259 1
1 860 . 19 1 1 A 106 106 ALA HA H 140 4.564 4.333 0.231 1
1 864 . 19 1 1 A 106 106 ALA C C 140 177.004 177.552 -0.548 1
1 865 . 19 1 1 A 106 106 ALA CA C 140 51.406 51.726 -0.320 1
1 866 . 19 1 1 A 106 106 ALA CB C 140 19.500 17.671 1.829 1
1 867 . 19 1 1 A 106 106 ALA N N 140 120.674 127.359 -6.685 1
1 868 . 19 1 1 A 107 107 TYR H H 141 8.458 8.414 0.044 1
1 869 . 19 1 1 A 107 107 TYR HA H 141 4.578 4.842 -0.264 1
1 873 . 19 1 1 A 107 107 TYR C C 141 174.746 177.331 -2.585 1
1 874 . 19 1 1 A 107 107 TYR CA C 141 56.554 59.415 -2.861 1
1 875 . 19 1 1 A 107 107 TYR CB C 141 38.649 40.990 -2.341 1
1 878 . 19 1 1 A 107 107 TYR N N 141 121.312 119.095 2.217 1
1 879 . 19 1 1 A 108 108 VAL H H 142 7.941 7.804 0.137 1
1 880 . 19 1 1 A 108 108 VAL HA H 142 4.008 4.103 -0.095 1
1 888 . 19 1 1 A 108 108 VAL C C 142 174.701 176.086 -1.385 1
1 889 . 19 1 1 A 108 108 VAL CA C 142 60.912 64.467 -3.555 1
1 890 . 19 1 1 A 108 108 VAL CB C 142 32.065 33.172 -1.107 1
1 893 . 19 1 1 A 108 108 VAL N N 142 125.257 119.217 6.040 1
1 9 . 20 1 1 A 2 2 TYR H H 36 7.537 7.662 -0.125 1
1 10 . 20 1 1 A 2 2 TYR HA H 36 3.945 5.168 -1.223 1
1 15 . 20 1 1 A 2 2 TYR C C 36 176.000 174.667 1.333 1
1 16 . 20 1 1 A 2 2 TYR CA C 36 57.871 56.763 1.108 1
1 17 . 20 1 1 A 2 2 TYR CB C 36 37.248 41.795 -4.547 1
1 18 . 20 1 1 A 2 2 TYR N N 36 117.048 117.612 -0.564 1
1 19 . 20 1 1 A 3 3 GLU H H 37 7.718 8.858 -1.140 1
1 20 . 20 1 1 A 3 3 GLU HA H 37 4.025 4.452 -0.427 1
1 24 . 20 1 1 A 3 3 GLU C C 37 176.100 176.737 -0.637 1
1 25 . 20 1 1 A 3 3 GLU CA C 37 56.788 55.235 1.553 1
1 26 . 20 1 1 A 3 3 GLU CB C 37 29.527 28.334 1.193 1
1 28 . 20 1 1 A 3 3 GLU N N 37 118.925 124.576 -5.651 1
1 29 . 20 1 1 A 4 4 GLU H H 38 7.866 8.723 -0.857 1
1 30 . 20 1 1 A 4 4 GLU HA H 38 4.215 4.652 -0.437 1
1 35 . 20 1 1 A 4 4 GLU C C 38 176.205 176.607 -0.402 1
1 36 . 20 1 1 A 4 4 GLU CA C 38 55.595 57.978 -2.383 1
1 37 . 20 1 1 A 4 4 GLU CB C 38 29.162 31.288 -2.126 1
1 38 . 20 1 1 A 4 4 GLU N N 38 116.623 126.379 -9.756 1
1 39 . 20 1 1 A 5 5 PHE H H 39 8.087 7.727 0.360 1
1 40 . 20 1 1 A 5 5 PHE HA H 39 4.780 4.800 -0.020 1
1 46 . 20 1 1 A 5 5 PHE C C 39 176.758 175.176 1.582 1
1 47 . 20 1 1 A 5 5 PHE CA C 39 54.914 58.148 -3.234 1
1 48 . 20 1 1 A 5 5 PHE CB C 39 36.531 40.241 -3.710 1
1 49 . 20 1 1 A 5 5 PHE N N 39 121.852 116.778 5.074 1
1 50 . 20 1 1 A 6 6 ARG HA H 40 4.515 4.031 0.484 1
1 51 . 20 1 1 A 6 6 ARG C C 40 176.376 175.534 0.842 1
1 52 . 20 1 1 A 6 6 ARG CA C 40 56.288 57.129 -0.841 1
1 53 . 20 1 1 A 6 6 ARG CB C 40 31.100 30.787 0.313 1
1 54 . 20 1 1 A 7 7 ASP H H 41 8.851 7.566 1.285 1
1 55 . 20 1 1 A 7 7 ASP HA H 41 5.182 5.242 -0.060 1
1 57 . 20 1 1 A 7 7 ASP C C 41 175.379 174.467 0.912 1
1 58 . 20 1 1 A 7 7 ASP CA C 41 53.324 52.599 0.725 1
1 59 . 20 1 1 A 7 7 ASP CB C 41 44.292 44.098 0.194 1
1 60 . 20 1 1 A 7 7 ASP N N 41 119.795 115.385 4.410 1
1 61 . 20 1 1 A 8 8 VAL H H 42 8.580 8.774 -0.194 1
1 62 . 20 1 1 A 8 8 VAL HA H 42 4.856 5.130 -0.274 1
1 70 . 20 1 1 A 8 8 VAL C C 42 175.170 175.422 -0.252 1
1 71 . 20 1 1 A 8 8 VAL CA C 42 61.398 60.395 1.003 1
1 72 . 20 1 1 A 8 8 VAL CB C 42 33.643 33.570 0.073 1
1 75 . 20 1 1 A 8 8 VAL N N 42 120.042 115.464 4.578 1
1 76 . 20 1 1 A 9 9 ILE H H 43 8.765 9.286 -0.521 1
1 77 . 20 1 1 A 9 9 ILE HA H 43 4.939 5.070 -0.131 1
1 79 . 20 1 1 A 9 9 ILE C C 43 173.755 174.636 -0.881 1
1 80 . 20 1 1 A 9 9 ILE CA C 43 58.528 59.166 -0.638 1
1 81 . 20 1 1 A 9 9 ILE CB C 43 40.437 42.396 -1.959 1
1 82 . 20 1 1 A 9 9 ILE N N 43 117.778 123.291 -5.513 1
1 83 . 20 1 1 A 10 10 THR H H 44 7.834 7.953 -0.119 1
1 84 . 20 1 1 A 10 10 THR HA H 44 4.709 4.814 -0.105 1
1 87 . 20 1 1 A 10 10 THR C C 44 173.691 173.601 0.090 1
1 88 . 20 1 1 A 10 10 THR CA C 44 61.662 60.964 0.698 1
1 89 . 20 1 1 A 10 10 THR CB C 44 70.906 70.384 0.522 1
1 91 . 20 1 1 A 10 10 THR N N 44 116.613 116.859 -0.246 1
1 92 . 20 1 1 A 11 11 PHE H H 45 8.821 8.660 0.161 1
1 93 . 20 1 1 A 11 11 PHE HA H 45 4.807 5.022 -0.215 1
1 94 . 20 1 1 A 11 11 PHE C C 45 175.619 175.139 0.480 1
1 95 . 20 1 1 A 11 11 PHE CA C 45 57.779 56.423 1.356 1
1 96 . 20 1 1 A 11 11 PHE CB C 45 39.649 40.677 -1.028 1
1 97 . 20 1 1 A 11 11 PHE N N 45 125.155 125.594 -0.439 1
1 98 . 20 1 1 A 12 12 GLN H H 46 9.103 9.051 0.052 1
1 99 . 20 1 1 A 12 12 GLN HA H 46 5.573 5.341 0.232 1
1 103 . 20 1 1 A 12 12 GLN C C 46 175.011 174.258 0.753 1
1 104 . 20 1 1 A 12 12 GLN CA C 46 54.423 54.204 0.219 1
1 105 . 20 1 1 A 12 12 GLN CB C 46 34.467 32.671 1.796 1
1 106 . 20 1 1 A 12 12 GLN N N 46 119.069 120.150 -1.081 1
1 107 . 20 1 1 A 13 13 SER H H 47 8.730 9.073 -0.343 1
1 108 . 20 1 1 A 13 13 SER HA H 47 5.229 5.450 -0.221 1
1 110 . 20 1 1 A 13 13 SER C C 47 171.559 172.290 -0.731 1
1 111 . 20 1 1 A 13 13 SER CA C 47 56.514 56.814 -0.300 1
1 112 . 20 1 1 A 13 13 SER CB C 47 66.075 66.609 -0.534 1
1 113 . 20 1 1 A 13 13 SER N N 47 114.734 115.593 -0.859 1
1 114 . 20 1 1 A 14 14 TYR H H 48 8.544 8.678 -0.134 1
1 115 . 20 1 1 A 14 14 TYR HA H 48 4.256 4.813 -0.557 1
1 120 . 20 1 1 A 14 14 TYR C C 48 175.437 173.992 1.445 1
1 121 . 20 1 1 A 14 14 TYR CA C 48 56.137 55.724 0.413 1
1 122 . 20 1 1 A 14 14 TYR CB C 48 36.242 40.789 -4.547 1
1 125 . 20 1 1 A 14 14 TYR N N 48 126.962 122.922 4.040 1
1 126 . 20 1 1 A 15 15 VAL H H 49 8.537 8.063 0.474 1
1 127 . 20 1 1 A 15 15 VAL HA H 49 4.360 4.557 -0.197 1
1 132 . 20 1 1 A 15 15 VAL C C 49 174.600 174.604 -0.004 1
1 133 . 20 1 1 A 15 15 VAL CA C 49 62.600 59.332 3.268 1
1 134 . 20 1 1 A 15 15 VAL CB C 49 35.100 35.546 -0.446 1
1 136 . 20 1 1 A 15 15 VAL N N 49 123.837 121.915 1.922 1
1 137 . 20 1 1 A 16 16 GLU H H 50 8.296 8.473 -0.177 1
1 138 . 20 1 1 A 16 16 GLU HA H 50 3.702 4.472 -0.770 1
1 142 . 20 1 1 A 16 16 GLU C C 50 175.947 177.015 -1.068 1
1 143 . 20 1 1 A 16 16 GLU CA C 50 55.400 56.512 -1.112 1
1 144 . 20 1 1 A 16 16 GLU CB C 50 30.100 31.500 -1.400 1
1 145 . 20 1 1 A 16 16 GLU N N 50 124.989 119.802 5.187 1
1 146 . 20 1 1 A 17 17 GLN H H 51 8.529 8.191 0.338 1
1 147 . 20 1 1 A 17 17 GLN HA H 51 4.415 4.133 0.282 1
1 151 . 20 1 1 A 17 17 GLN C C 51 175.122 174.812 0.310 1
1 152 . 20 1 1 A 17 17 GLN CA C 51 54.060 56.030 -1.970 1
1 153 . 20 1 1 A 17 17 GLN CB C 51 29.943 28.074 1.869 1
1 155 . 20 1 1 A 17 17 GLN N N 51 124.656 118.729 5.927 1
1 156 . 20 1 1 A 18 18 SER HA H 52 4.420 4.565 -0.145 1
1 157 . 20 1 1 A 18 18 SER C C 52 173.505 174.983 -1.478 1
1 158 . 20 1 1 A 18 18 SER CA C 52 58.279 60.566 -2.287 1
1 159 . 20 1 1 A 18 18 SER CB C 52 63.835 64.637 -0.802 1
1 160 . 20 1 1 A 19 19 ASN H H 53 8.109 7.969 0.140 1
1 161 . 20 1 1 A 19 19 ASN HA H 53 4.399 4.739 -0.340 1
1 164 . 20 1 1 A 19 19 ASN C C 53 179.837 175.226 4.611 1
1 165 . 20 1 1 A 19 19 ASN CA C 53 54.664 52.299 2.365 1
1 166 . 20 1 1 A 19 19 ASN CB C 53 39.983 37.358 2.625 1
1 167 . 20 1 1 A 19 19 ASN N N 53 126.199 117.467 8.732 1
1 168 . 20 1 1 A 20 20 GLY H H 54 8.166 8.355 -0.189 1
1 169 . 20 1 1 A 20 20 GLY HA2 H 54 3.911 3.863 0.048 1
1 170 . 20 1 1 A 20 20 GLY C C 54 174.876 173.032 1.844 1
1 171 . 20 1 1 A 20 20 GLY CA C 54 45.206 47.100 -1.894 1
1 172 . 20 1 1 A 20 20 GLY N N 54 113.067 113.993 -0.926 1
1 173 . 20 1 1 A 22 22 GLY CA C 56 45.279 45.615 -0.336 1
1 174 . 20 1 1 A 23 23 GLY H H 57 8.235 7.596 0.639 1
1 175 . 20 1 1 A 23 23 GLY HA2 H 57 3.929 4.071 -0.142 1
1 176 . 20 1 1 A 23 23 GLY C C 57 173.796 172.033 1.763 1
1 177 . 20 1 1 A 23 23 GLY CA C 57 45.348 45.243 0.105 1
1 178 . 20 1 1 A 23 23 GLY N N 57 108.389 106.875 1.514 1
1 179 . 20 1 1 A 24 24 LYS HA H 58 4.804 5.201 -0.397 1
1 180 . 20 1 1 A 24 24 LYS C C 58 175.908 175.365 0.543 1
1 181 . 20 1 1 A 24 24 LYS CA C 58 54.833 54.575 0.258 1
1 182 . 20 1 1 A 24 24 LYS CB C 58 34.402 35.182 -0.780 1
1 183 . 20 1 1 A 25 25 THR H H 59 8.413 8.627 -0.214 1
1 184 . 20 1 1 A 25 25 THR HA H 59 4.482 4.435 0.047 1
1 187 . 20 1 1 A 25 25 THR C C 59 171.934 172.040 -0.106 1
1 188 . 20 1 1 A 25 25 THR CA C 59 60.144 60.307 -0.163 1
1 189 . 20 1 1 A 25 25 THR CB C 59 71.035 69.925 1.110 1
1 191 . 20 1 1 A 25 25 THR N N 59 115.947 115.702 0.245 1
1 192 . 20 1 1 A 26 26 TYR H H 60 8.182 8.107 0.075 1
1 193 . 20 1 1 A 26 26 TYR HA H 60 4.883 5.663 -0.780 1
1 198 . 20 1 1 A 26 26 TYR C C 60 173.593 172.963 0.630 1
1 199 . 20 1 1 A 26 26 TYR CA C 60 54.043 55.181 -1.138 1
1 200 . 20 1 1 A 26 26 TYR CB C 60 40.100 41.642 -1.542 1
1 202 . 20 1 1 A 26 26 TYR N N 60 121.985 119.049 2.936 1
1 203 . 20 1 1 A 27 27 LYS H H 61 8.385 8.601 -0.216 1
1 204 . 20 1 1 A 27 27 LYS HA H 61 4.563 5.247 -0.684 1
1 205 . 20 1 1 A 27 27 LYS C C 61 174.186 174.195 -0.009 1
1 206 . 20 1 1 A 27 27 LYS CA C 61 54.589 54.748 -0.159 1
1 207 . 20 1 1 A 27 27 LYS CB C 61 35.801 36.518 -0.717 1
1 208 . 20 1 1 A 27 27 LYS N N 61 120.203 118.359 1.844 1
1 209 . 20 1 1 A 28 28 TRP H H 62 8.524 8.690 -0.166 1
1 210 . 20 1 1 A 28 28 TRP HA H 62 5.361 5.625 -0.264 1
1 215 . 20 1 1 A 28 28 TRP C C 62 176.934 175.148 1.786 1
1 216 . 20 1 1 A 28 28 TRP CA C 62 56.499 55.430 1.069 1
1 217 . 20 1 1 A 28 28 TRP CB C 62 29.300 32.073 -2.773 1
1 218 . 20 1 1 A 28 28 TRP N N 62 122.913 120.135 2.778 1
1 220 . 20 1 1 A 29 29 VAL H H 63 9.470 8.847 0.623 1
1 221 . 20 1 1 A 29 29 VAL HA H 63 4.626 4.897 -0.271 1
1 229 . 20 1 1 A 29 29 VAL C C 63 175.264 173.921 1.343 1
1 230 . 20 1 1 A 29 29 VAL CA C 63 59.163 60.371 -1.208 1
1 231 . 20 1 1 A 29 29 VAL CB C 63 34.759 35.975 -1.216 1
1 234 . 20 1 1 A 29 29 VAL N N 63 120.454 121.723 -1.269 1
1 235 . 20 1 1 A 30 30 ASP H H 64 8.576 8.791 -0.215 1
1 236 . 20 1 1 A 30 30 ASP HA H 64 4.386 4.865 -0.479 1
1 237 . 20 1 1 A 30 30 ASP C C 64 174.186 176.063 -1.877 1
1 238 . 20 1 1 A 30 30 ASP CA C 64 55.907 53.855 2.052 1
1 239 . 20 1 1 A 30 30 ASP CB C 64 39.942 41.476 -1.534 1
1 240 . 20 1 1 A 30 30 ASP N N 64 123.588 124.905 -1.317 1
1 241 . 20 1 1 A 31 31 GLU H H 65 9.482 9.440 0.042 1
1 242 . 20 1 1 A 31 31 GLU HA H 65 4.674 4.485 0.189 1
1 246 . 20 1 1 A 31 31 GLU C C 65 176.000 176.368 -0.368 1
1 247 . 20 1 1 A 31 31 GLU CA C 65 57.263 58.181 -0.918 1
1 248 . 20 1 1 A 31 31 GLU CB C 65 30.200 31.431 -1.231 1
1 250 . 20 1 1 A 31 31 GLU N N 65 124.008 122.484 1.524 1
1 251 . 20 1 1 A 32 32 PHE H H 66 7.257 7.412 -0.155 1
1 252 . 20 1 1 A 32 32 PHE HA H 66 4.940 5.169 -0.229 1
1 254 . 20 1 1 A 32 32 PHE C C 66 172.742 173.352 -0.610 1
1 255 . 20 1 1 A 32 32 PHE CA C 66 56.316 56.615 -0.299 1
1 256 . 20 1 1 A 32 32 PHE CB C 66 38.948 40.831 -1.883 1
1 257 . 20 1 1 A 32 32 PHE N N 66 110.866 112.985 -2.119 1
1 258 . 20 1 1 A 33 33 THR H H 67 8.603 8.963 -0.360 1
1 259 . 20 1 1 A 33 33 THR HA H 67 5.377 5.179 0.198 1
1 262 . 20 1 1 A 33 33 THR C C 67 173.388 173.656 -0.268 1
1 263 . 20 1 1 A 33 33 THR CA C 67 60.207 60.381 -0.174 1
1 264 . 20 1 1 A 33 33 THR CB C 67 71.620 71.252 0.368 1
1 266 . 20 1 1 A 33 33 THR N N 67 114.847 112.317 2.530 1
1 267 . 20 1 1 A 34 34 ALA H H 68 9.185 8.632 0.553 1
1 268 . 20 1 1 A 34 34 ALA HA H 68 4.873 5.026 -0.153 1
1 272 . 20 1 1 A 34 34 ALA C C 68 174.999 176.103 -1.104 1
1 273 . 20 1 1 A 34 34 ALA CA C 68 50.660 51.596 -0.936 1
1 274 . 20 1 1 A 34 34 ALA CB C 68 23.911 24.519 -0.608 1
1 275 . 20 1 1 A 34 34 ALA N N 68 125.817 124.437 1.380 1
1 276 . 20 1 1 A 35 35 ALA H H 69 8.347 8.689 -0.342 1
1 277 . 20 1 1 A 35 35 ALA HA H 69 4.889 5.168 -0.279 1
1 281 . 20 1 1 A 35 35 ALA C C 69 176.937 176.684 0.253 1
1 282 . 20 1 1 A 35 35 ALA CA C 69 51.329 50.773 0.556 1
1 283 . 20 1 1 A 35 35 ALA CB C 69 19.210 20.865 -1.655 1
1 284 . 20 1 1 A 35 35 ALA N N 69 122.342 122.659 -0.317 1
1 285 . 20 1 1 A 36 36 ALA H H 70 8.468 8.731 -0.263 1
1 286 . 20 1 1 A 36 36 ALA HA H 70 4.996 4.912 0.084 1
1 290 . 20 1 1 A 36 36 ALA C C 70 175.102 175.004 0.098 1
1 291 . 20 1 1 A 36 36 ALA CA C 70 50.876 51.753 -0.877 1
1 292 . 20 1 1 A 36 36 ALA CB C 70 23.556 23.339 0.217 1
1 293 . 20 1 1 A 36 36 ALA N N 70 120.267 124.674 -4.407 1
1 294 . 20 1 1 A 37 37 HIS H H 71 9.136 8.314 0.822 1
1 295 . 20 1 1 A 37 37 HIS HA H 71 5.343 4.946 0.397 1
1 298 . 20 1 1 A 37 37 HIS C C 71 174.002 173.362 0.640 1
1 299 . 20 1 1 A 37 37 HIS CA C 71 54.803 53.495 1.308 1
1 300 . 20 1 1 A 37 37 HIS CB C 71 32.322 30.788 1.534 1
1 301 . 20 1 1 A 37 37 HIS N N 71 119.360 120.625 -1.265 1
1 302 . 20 1 1 A 38 38 VAL H H 72 8.557 8.894 -0.337 1
1 303 . 20 1 1 A 38 38 VAL HA H 72 4.174 4.780 -0.606 1
1 311 . 20 1 1 A 38 38 VAL C C 72 174.000 174.214 -0.214 1
1 312 . 20 1 1 A 38 38 VAL CA C 72 61.587 59.950 1.637 1
1 313 . 20 1 1 A 38 38 VAL CB C 72 31.381 34.753 -3.372 1
1 316 . 20 1 1 A 38 38 VAL N N 72 127.947 127.138 0.809 1
1 317 . 20 1 1 A 39 39 GLN H H 73 8.971 9.053 -0.082 1
1 318 . 20 1 1 A 39 39 GLN HA H 73 5.019 4.350 0.669 1
1 321 . 20 1 1 A 39 39 GLN C C 73 173.260 172.677 0.583 1
1 322 . 20 1 1 A 39 39 GLN CA C 73 51.310 52.551 -1.241 1
1 323 . 20 1 1 A 39 39 GLN CB C 73 30.955 31.731 -0.776 1
1 324 . 20 1 1 A 39 39 GLN N N 73 127.985 125.623 2.362 1
1 325 . 20 1 1 A 40 40 PRO HA H 74 4.707 3.053 1.654 1
1 329 . 20 1 1 A 40 40 PRO C C 74 3.820 176.546 -172.726 1
1 330 . 20 1 1 A 40 40 PRO CA C 74 176.828 62.567 114.261 1
1 331 . 20 1 1 A 40 40 PRO CB C 74 62.215 31.845 30.370 1
1 333 . 20 1 1 A 40 40 PRO N N 74 50.800 134.883 -84.083 1
1 334 . 20 1 1 A 41 41 ILE H H 75 8.105 8.652 -0.547 1
1 335 . 20 1 1 A 41 41 ILE HA H 75 4.074 4.122 -0.048 1
1 338 . 20 1 1 A 41 41 ILE C C 75 175.881 173.813 2.068 1
1 339 . 20 1 1 A 41 41 ILE CA C 75 61.399 61.295 0.104 1
1 340 . 20 1 1 A 41 41 ILE CB C 75 38.214 35.638 2.576 1
1 342 . 20 1 1 A 41 41 ILE N N 75 122.818 122.500 0.318 1
1 343 . 20 1 1 A 43 43 GLN HA H 77 4.267 4.703 -0.436 1
1 344 . 20 1 1 A 43 43 GLN C C 77 176.255 176.581 -0.326 1
1 345 . 20 1 1 A 43 43 GLN CA C 77 56.500 54.814 1.686 1
1 346 . 20 1 1 A 43 43 GLN CB C 77 29.100 28.960 0.140 1
1 347 . 20 1 1 A 44 44 GLU H H 78 8.458 7.685 0.773 1
1 348 . 20 1 1 A 44 44 GLU HA H 78 4.184 4.428 -0.244 1
1 351 . 20 1 1 A 44 44 GLU C C 78 177.000 176.363 0.637 1
1 352 . 20 1 1 A 44 44 GLU CA C 78 57.400 57.083 0.317 1
1 353 . 20 1 1 A 44 44 GLU CB C 78 29.148 29.985 -0.837 1
1 355 . 20 1 1 A 44 44 GLU N N 78 120.627 118.641 1.986 1
1 356 . 20 1 1 A 45 45 GLU H H 79 8.283 7.768 0.515 1
1 357 . 20 1 1 A 45 45 GLU HA H 79 4.121 4.517 -0.396 1
1 360 . 20 1 1 A 45 45 GLU C C 79 176.972 176.280 0.692 1
1 361 . 20 1 1 A 45 45 GLU CA C 79 57.106 54.656 2.450 1
1 362 . 20 1 1 A 45 45 GLU CB C 79 29.680 28.204 1.476 1
1 364 . 20 1 1 A 45 45 GLU N N 79 119.997 120.636 -0.639 1
1 365 . 20 1 1 A 46 46 TYR H H 80 7.961 7.810 0.151 1
1 366 . 20 1 1 A 46 46 TYR HA H 80 4.369 4.467 -0.098 1
1 369 . 20 1 1 A 46 46 TYR C C 80 176.086 176.122 -0.036 1
1 370 . 20 1 1 A 46 46 TYR CA C 80 58.284 57.872 0.412 1
1 371 . 20 1 1 A 46 46 TYR CB C 80 38.214 38.470 -0.256 1
1 372 . 20 1 1 A 46 46 TYR N N 80 119.582 121.567 -1.985 1
1 373 . 20 1 1 A 47 47 TYR H H 81 7.918 7.413 0.505 1
1 374 . 20 1 1 A 47 47 TYR HA H 81 4.399 4.422 -0.023 1
1 378 . 20 1 1 A 47 47 TYR C C 81 176.566 176.344 0.222 1
1 379 . 20 1 1 A 47 47 TYR CA C 81 58.479 59.546 -1.067 1
1 380 . 20 1 1 A 47 47 TYR CB C 81 38.042 39.542 -1.500 1
1 381 . 20 1 1 A 47 47 TYR N N 81 119.336 118.502 0.834 1
1 382 . 20 1 1 A 48 48 LYS HA H 82 4.090 4.675 -0.585 1
1 383 . 20 1 1 A 48 48 LYS C C 82 176.894 175.214 1.680 1
1 384 . 20 1 1 A 48 48 LYS CA C 82 56.786 55.924 0.862 1
1 385 . 20 1 1 A 48 48 LYS CB C 82 32.306 35.714 -3.408 1
1 386 . 20 1 1 A 49 49 ALA H H 83 7.999 8.567 -0.568 1
1 387 . 20 1 1 A 49 49 ALA HA H 83 4.178 4.558 -0.380 1
1 391 . 20 1 1 A 49 49 ALA C C 83 178.193 176.440 1.753 1
1 392 . 20 1 1 A 49 49 ALA CA C 83 52.825 52.118 0.707 1
1 393 . 20 1 1 A 49 49 ALA CB C 83 18.200 19.152 -0.952 1
1 394 . 20 1 1 A 49 49 ALA N N 83 122.394 126.556 -4.162 1
1 395 . 20 1 1 A 50 50 GLN H H 84 8.006 7.578 0.428 1
1 396 . 20 1 1 A 50 50 GLN HA H 84 4.167 4.544 -0.377 1
1 400 . 20 1 1 A 50 50 GLN C C 84 176.200 175.120 1.080 1
1 401 . 20 1 1 A 50 50 GLN CA C 84 56.016 55.161 0.855 1
1 402 . 20 1 1 A 50 50 GLN CB C 84 28.467 30.678 -2.211 1
1 404 . 20 1 1 A 50 50 GLN N N 84 116.623 114.561 2.062 1
1 405 . 20 1 1 A 51 51 GLN H H 85 8.085 8.660 -0.575 1
1 406 . 20 1 1 A 51 51 GLN HA H 85 4.223 4.616 -0.393 1
1 410 . 20 1 1 A 51 51 GLN CA C 85 56.393 55.744 0.649 1
1 411 . 20 1 1 A 51 51 GLN CB C 85 28.600 30.322 -1.722 1
1 413 . 20 1 1 A 51 51 GLN N N 85 118.681 118.539 0.142 1
1 414 . 20 1 1 A 53 53 GLN HA H 87 4.268 4.403 -0.135 1
1 415 . 20 1 1 A 53 53 GLN C C 87 175.517 174.419 1.098 1
1 416 . 20 1 1 A 53 53 GLN CA C 87 55.821 55.063 0.758 1
1 417 . 20 1 1 A 53 53 GLN CB C 87 28.296 27.002 1.294 1
1 418 . 20 1 1 A 54 54 THR H H 88 7.950 7.686 0.264 1
1 419 . 20 1 1 A 54 54 THR HA H 88 4.540 4.967 -0.427 1
1 422 . 20 1 1 A 54 54 THR C C 88 172.445 172.300 0.145 1
1 423 . 20 1 1 A 54 54 THR CA C 88 59.184 58.703 0.481 1
1 424 . 20 1 1 A 54 54 THR CB C 88 69.534 71.032 -1.498 1
1 426 . 20 1 1 A 54 54 THR N N 88 116.337 111.700 4.637 1
1 427 . 20 1 1 A 55 55 PRO HA H 89 4.410 4.949 -0.539 1
1 431 . 20 1 1 A 55 55 PRO C C 89 3.600 175.710 -172.110 1
1 432 . 20 1 1 A 55 55 PRO CA C 89 176.508 62.237 114.271 1
1 433 . 20 1 1 A 55 55 PRO CB C 89 62.325 31.931 30.394 1
1 436 . 20 1 1 A 55 55 PRO N N 89 50.400 140.572 -90.172 1
1 437 . 20 1 1 A 56 56 ILE H H 90 8.247 8.639 -0.392 1
1 438 . 20 1 1 A 56 56 ILE HA H 90 3.993 4.691 -0.698 1
1 443 . 20 1 1 A 56 56 ILE C C 90 175.132 174.067 1.065 1
1 444 . 20 1 1 A 56 56 ILE CA C 90 60.718 60.210 0.508 1
1 445 . 20 1 1 A 56 56 ILE CB C 90 38.277 41.193 -2.916 1
1 447 . 20 1 1 A 56 56 ILE N N 90 121.921 121.698 0.223 1
1 448 . 20 1 1 A 57 57 GLY H H 91 7.820 8.546 -0.726 1
1 449 . 20 1 1 A 57 57 GLY HA2 H 91 4.550 4.441 0.109 1
1 450 . 20 1 1 A 57 57 GLY HA3 H 91 3.640 4.523 -0.883 1
1 451 . 20 1 1 A 57 57 GLY C C 91 172.184 171.638 0.546 1
1 452 . 20 1 1 A 57 57 GLY CA C 91 43.575 44.726 -1.151 1
1 453 . 20 1 1 A 57 57 GLY N N 91 110.987 115.184 -4.197 1
1 454 . 20 1 1 A 58 58 TYR H H 92 8.593 9.097 -0.504 1
1 455 . 20 1 1 A 58 58 TYR HA H 92 5.166 5.234 -0.068 1
1 460 . 20 1 1 A 58 58 TYR C C 92 175.122 174.841 0.281 1
1 461 . 20 1 1 A 58 58 TYR CA C 92 56.544 56.671 -0.127 1
1 462 . 20 1 1 A 58 58 TYR CB C 92 43.819 43.605 0.214 1
1 465 . 20 1 1 A 58 58 TYR N N 92 116.307 121.535 -5.228 1
1 466 . 20 1 1 A 59 59 ASN H H 93 8.964 9.009 -0.045 1
1 467 . 20 1 1 A 59 59 ASN HA H 93 5.116 5.632 -0.516 1
1 470 . 20 1 1 A 59 59 ASN C C 93 173.457 174.540 -1.083 1
1 471 . 20 1 1 A 59 59 ASN CA C 93 52.717 52.372 0.345 1
1 472 . 20 1 1 A 59 59 ASN CB C 93 40.420 40.913 -0.493 1
1 473 . 20 1 1 A 59 59 ASN N N 93 119.232 119.750 -0.518 1
1 474 . 20 1 1 A 60 60 ILE H H 94 9.013 8.801 0.212 1
1 475 . 20 1 1 A 60 60 ILE HA H 94 4.383 5.176 -0.793 1
1 476 . 20 1 1 A 60 60 ILE C C 94 173.370 174.693 -1.323 1
1 477 . 20 1 1 A 60 60 ILE CA C 94 60.231 59.350 0.881 1
1 478 . 20 1 1 A 60 60 ILE CB C 94 38.728 41.610 -2.882 1
1 479 . 20 1 1 A 60 60 ILE N N 94 123.021 118.916 4.105 1
1 480 . 20 1 1 A 61 61 TYR H H 95 8.867 8.683 0.184 1
1 481 . 20 1 1 A 61 61 TYR HA H 95 5.279 5.544 -0.265 1
1 486 . 20 1 1 A 61 61 TYR C C 95 174.262 174.475 -0.213 1
1 487 . 20 1 1 A 61 61 TYR CA C 95 55.732 55.925 -0.193 1
1 488 . 20 1 1 A 61 61 TYR CB C 95 39.723 40.899 -1.176 1
1 491 . 20 1 1 A 61 61 TYR N N 95 125.343 121.823 3.520 1
1 492 . 20 1 1 A 62 62 THR H H 96 8.998 8.569 0.429 1
1 493 . 20 1 1 A 62 62 THR HA H 96 4.889 4.735 0.154 1
1 496 . 20 1 1 A 62 62 THR C C 96 172.708 172.669 0.039 1
1 497 . 20 1 1 A 62 62 THR CA C 96 58.248 58.956 -0.708 1
1 498 . 20 1 1 A 62 62 THR CB C 96 73.097 71.742 1.355 1
1 500 . 20 1 1 A 62 62 THR N N 96 119.223 119.892 -0.669 1
1 501 . 20 1 1 A 63 63 PRO HA H 97 4.410 4.541 -0.131 1
1 503 . 20 1 1 A 63 63 PRO C C 97 3.190 177.189 -173.999 1
1 504 . 20 1 1 A 63 63 PRO CA C 97 175.250 63.643 111.607 1
1 505 . 20 1 1 A 63 63 PRO CB C 97 63.642 31.824 31.818 1
1 507 . 20 1 1 A 63 63 PRO N N 97 51.700 142.084 -90.384 1
1 508 . 20 1 1 A 64 64 TYR H H 98 7.826 9.074 -1.248 1
1 509 . 20 1 1 A 64 64 TYR HA H 98 4.265 4.052 0.213 1
1 514 . 20 1 1 A 64 64 TYR C C 98 175.150 174.147 1.003 1
1 515 . 20 1 1 A 64 64 TYR CA C 98 59.434 59.273 0.161 1
1 516 . 20 1 1 A 64 64 TYR CB C 98 37.240 37.076 0.164 1
1 518 . 20 1 1 A 64 64 TYR N N 98 122.118 123.114 -0.996 1
1 519 . 20 1 1 A 65 65 ASP H H 99 5.931 7.981 -2.050 1
1 520 . 20 1 1 A 65 65 ASP HA H 99 4.255 4.597 -0.342 1
1 523 . 20 1 1 A 65 65 ASP C C 99 176.079 175.339 0.740 1
1 524 . 20 1 1 A 65 65 ASP CA C 99 52.885 53.305 -0.420 1
1 525 . 20 1 1 A 65 65 ASP CB C 99 43.486 41.065 2.421 1
1 526 . 20 1 1 A 65 65 ASP N N 99 125.409 119.875 5.534 1
1 527 . 20 1 1 A 66 66 ASP H H 100 8.703 8.387 0.316 1
1 528 . 20 1 1 A 66 66 ASP HA H 100 4.058 4.666 -0.608 1
1 531 . 20 1 1 A 66 66 ASP C C 100 176.300 176.153 0.147 1
1 532 . 20 1 1 A 66 66 ASP CA C 100 55.332 52.991 2.341 1
1 533 . 20 1 1 A 66 66 ASP CB C 100 40.206 39.920 0.286 1
1 534 . 20 1 1 A 66 66 ASP N N 100 128.295 123.453 4.842 1
1 535 . 20 1 1 A 67 67 ARG H H 101 8.832 7.425 1.407 1
1 536 . 20 1 1 A 67 67 ARG HA H 101 3.944 4.368 -0.424 1
1 538 . 20 1 1 A 67 67 ARG C C 101 177.624 176.393 1.231 1
1 539 . 20 1 1 A 67 67 ARG CA C 101 56.509 55.633 0.876 1
1 540 . 20 1 1 A 67 67 ARG CB C 101 31.162 30.520 0.642 1
1 541 . 20 1 1 A 67 67 ARG N N 101 117.507 118.827 -1.320 1
1 542 . 20 1 1 A 68 68 ILE H H 102 7.004 7.779 -0.775 1
1 543 . 20 1 1 A 68 68 ILE HA H 102 3.507 3.629 -0.122 1
1 548 . 20 1 1 A 68 68 ILE C C 102 174.835 176.025 -1.190 1
1 549 . 20 1 1 A 68 68 ILE CA C 102 63.638 64.317 -0.679 1
1 550 . 20 1 1 A 68 68 ILE CB C 102 36.617 37.384 -0.767 1
1 552 . 20 1 1 A 68 68 ILE N N 102 116.003 117.242 -1.239 1
1 553 . 20 1 1 A 69 69 ASP H H 103 8.026 7.620 0.406 1
1 554 . 20 1 1 A 69 69 ASP HA H 103 4.954 4.389 0.565 1
1 557 . 20 1 1 A 69 69 ASP C C 103 175.574 174.599 0.975 1
1 558 . 20 1 1 A 69 69 ASP CA C 103 52.485 52.259 0.226 1
1 559 . 20 1 1 A 69 69 ASP CB C 103 45.984 42.031 3.953 1
1 560 . 20 1 1 A 69 69 ASP N N 103 129.672 118.699 10.973 1
1 561 . 20 1 1 A 70 70 LYS H H 104 8.505 8.382 0.123 1
1 562 . 20 1 1 A 70 70 LYS C C 104 175.300 176.079 -0.779 1
1 563 . 20 1 1 A 70 70 LYS CA C 104 58.027 54.946 3.081 1
1 564 . 20 1 1 A 70 70 LYS CB C 104 31.376 33.526 -2.150 1
1 565 . 20 1 1 A 70 70 LYS N N 104 119.646 123.972 -4.326 1
1 566 . 20 1 1 A 71 71 LYS H H 105 8.653 7.928 0.725 1
1 567 . 20 1 1 A 71 71 LYS HA H 105 4.513 3.974 0.539 1
1 571 . 20 1 1 A 71 71 LYS C C 105 178.190 175.142 3.048 1
1 572 . 20 1 1 A 71 71 LYS CA C 105 56.415 57.130 -0.715 1
1 573 . 20 1 1 A 71 71 LYS CB C 105 30.942 30.985 -0.043 1
1 575 . 20 1 1 A 71 71 LYS N N 105 118.554 117.700 0.854 1
1 576 . 20 1 1 A 72 72 MET H H 106 7.596 7.426 0.170 1
1 577 . 20 1 1 A 72 72 MET HA H 106 5.019 5.359 -0.340 1
1 578 . 20 1 1 A 72 72 MET C C 106 172.309 174.115 -1.806 1
1 579 . 20 1 1 A 72 72 MET CA C 106 56.500 54.517 1.983 1
1 580 . 20 1 1 A 72 72 MET CB C 106 34.892 38.192 -3.300 1
1 581 . 20 1 1 A 72 72 MET N N 106 119.949 119.644 0.305 1
1 582 . 20 1 1 A 73 73 ARG H H 107 8.266 8.973 -0.707 1
1 583 . 20 1 1 A 73 73 ARG HA H 107 4.075 5.360 -1.285 1
1 585 . 20 1 1 A 73 73 ARG C C 107 172.995 174.251 -1.256 1
1 586 . 20 1 1 A 73 73 ARG CA C 107 53.348 54.603 -1.255 1
1 587 . 20 1 1 A 73 73 ARG CB C 107 31.579 34.295 -2.716 1
1 588 . 20 1 1 A 73 73 ARG N N 107 112.423 121.827 -9.404 1
1 589 . 20 1 1 A 74 74 VAL H H 108 8.371 8.240 0.131 1
1 590 . 20 1 1 A 74 74 VAL HA H 108 4.954 4.543 0.411 1
1 598 . 20 1 1 A 74 74 VAL C C 108 173.137 172.684 0.453 1
1 599 . 20 1 1 A 74 74 VAL CA C 108 58.400 59.543 -1.143 1
1 600 . 20 1 1 A 74 74 VAL CB C 108 35.700 35.479 0.221 1
1 603 . 20 1 1 A 74 74 VAL N N 108 117.751 122.385 -4.634 1
1 604 . 20 1 1 A 75 75 ILE H H 109 8.644 8.240 0.404 1
1 605 . 20 1 1 A 75 75 ILE HA H 109 4.772 4.684 0.088 1
1 610 . 20 1 1 A 75 75 ILE C C 109 176.377 173.224 3.153 1
1 611 . 20 1 1 A 75 75 ILE CA C 109 57.500 59.154 -1.654 1
1 612 . 20 1 1 A 75 75 ILE CB C 109 35.550 40.612 -5.062 1
1 614 . 20 1 1 A 75 75 ILE N N 109 122.741 126.834 -4.093 1
1 615 . 20 1 1 A 76 76 TYR H H 110 8.928 7.595 1.333 1
1 616 . 20 1 1 A 76 76 TYR HA H 110 4.873 4.800 0.073 1
1 621 . 20 1 1 A 76 76 TYR C C 110 173.400 176.499 -3.099 1
1 622 . 20 1 1 A 76 76 TYR CA C 110 54.699 56.315 -1.616 1
1 623 . 20 1 1 A 76 76 TYR CB C 110 40.392 37.181 3.211 1
1 626 . 20 1 1 A 76 76 TYR N N 110 129.091 129.480 -0.389 1
1 627 . 20 1 1 A 77 77 ARG H H 111 9.206 9.036 0.170 1
1 628 . 20 1 1 A 77 77 ARG HA H 111 3.537 3.921 -0.384 1
1 633 . 20 1 1 A 77 77 ARG C C 111 176.065 175.297 0.768 1
1 634 . 20 1 1 A 77 77 ARG CA C 111 56.490 57.090 -0.600 1
1 635 . 20 1 1 A 77 77 ARG CB C 111 27.448 29.110 -1.662 1
1 636 . 20 1 1 A 77 77 ARG N N 111 126.774 123.235 3.539 1
1 637 . 20 1 1 A 78 78 GLY H H 112 8.155 8.423 -0.268 1
1 638 . 20 1 1 A 78 78 GLY HA2 H 112 4.040 3.775 0.265 1
1 639 . 20 1 1 A 78 78 GLY HA3 H 112 3.540 3.807 -0.267 1
1 640 . 20 1 1 A 78 78 GLY C C 112 173.810 173.703 0.107 1
1 641 . 20 1 1 A 78 78 GLY CA C 112 45.284 45.364 -0.080 1
1 642 . 20 1 1 A 78 78 GLY N N 112 102.172 105.254 -3.082 1
1 643 . 20 1 1 A 79 79 LYS HA H 113 3.910 4.549 -0.639 1
1 644 . 20 1 1 A 79 79 LYS C C 113 174.750 173.856 0.894 1
1 645 . 20 1 1 A 79 79 LYS CA C 113 53.808 54.840 -1.032 1
1 646 . 20 1 1 A 79 79 LYS CB C 113 33.298 34.807 -1.509 1
1 647 . 20 1 1 A 80 80 ILE H H 114 8.484 8.891 -0.407 1
1 648 . 20 1 1 A 80 80 ILE HA H 114 3.860 4.962 -1.102 1
1 653 . 20 1 1 A 80 80 ILE C C 114 174.732 173.902 0.830 1
1 654 . 20 1 1 A 80 80 ILE CA C 114 61.130 59.959 1.171 1
1 655 . 20 1 1 A 80 80 ILE CB C 114 37.740 40.501 -2.761 1
1 657 . 20 1 1 A 80 80 ILE N N 114 121.186 126.700 -5.514 1
1 658 . 20 1 1 A 81 81 VAL H H 115 9.395 8.445 0.950 1
1 659 . 20 1 1 A 81 81 VAL HA H 115 4.645 4.829 -0.184 1
1 664 . 20 1 1 A 81 81 VAL C C 115 174.934 173.842 1.092 1
1 665 . 20 1 1 A 81 81 VAL CA C 115 60.401 60.103 0.298 1
1 666 . 20 1 1 A 81 81 VAL CB C 115 32.142 36.000 -3.858 1
1 668 . 20 1 1 A 81 81 VAL N N 115 129.212 129.237 -0.025 1
1 669 . 20 1 1 A 82 82 THR H H 116 8.661 8.999 -0.338 1
1 670 . 20 1 1 A 82 82 THR HA H 116 4.483 5.382 -0.899 1
1 673 . 20 1 1 A 82 82 THR C C 116 175.000 173.138 1.862 1
1 674 . 20 1 1 A 82 82 THR CA C 116 59.911 59.806 0.105 1
1 675 . 20 1 1 A 82 82 THR CB C 116 69.844 71.840 -1.996 1
1 677 . 20 1 1 A 82 82 THR N N 116 120.129 118.169 1.960 1
1 678 . 20 1 1 A 83 83 PHE H H 117 9.153 9.099 0.054 1
1 679 . 20 1 1 A 83 83 PHE HA H 117 5.003 5.459 -0.456 1
1 681 . 20 1 1 A 83 83 PHE C C 117 177.126 172.243 4.883 1
1 682 . 20 1 1 A 83 83 PHE CA C 117 55.003 55.742 -0.739 1
1 683 . 20 1 1 A 83 83 PHE CB C 117 37.018 42.256 -5.238 1
1 684 . 20 1 1 A 83 83 PHE N N 117 123.251 121.193 2.058 1
1 685 . 20 1 1 A 84 84 ILE H H 118 8.882 8.841 0.041 1
1 686 . 20 1 1 A 84 84 ILE HA H 118 4.320 5.067 -0.747 1
1 695 . 20 1 1 A 84 84 ILE C C 118 175.958 174.708 1.250 1
1 696 . 20 1 1 A 84 84 ILE CA C 118 60.275 59.168 1.107 1
1 697 . 20 1 1 A 84 84 ILE CB C 118 37.057 42.384 -5.327 1
1 700 . 20 1 1 A 84 84 ILE N N 118 122.450 120.767 1.683 1
1 701 . 20 1 1 A 85 85 GLY H H 119 8.198 8.075 0.123 1
1 702 . 20 1 1 A 85 85 GLY HA2 H 119 4.050 4.056 -0.006 1
1 703 . 20 1 1 A 85 85 GLY HA3 H 119 3.900 4.111 -0.211 1
1 704 . 20 1 1 A 85 85 GLY C C 119 172.376 171.428 0.948 1
1 705 . 20 1 1 A 85 85 GLY CA C 119 44.033 45.797 -1.764 1
1 706 . 20 1 1 A 85 85 GLY N N 119 112.995 113.301 -0.306 1
1 707 . 20 1 1 A 86 86 ASP H H 120 8.132 8.588 -0.456 1
1 708 . 20 1 1 A 86 86 ASP HA H 120 4.938 5.307 -0.369 1
1 711 . 20 1 1 A 86 86 ASP C C 120 175.418 174.353 1.065 1
1 712 . 20 1 1 A 86 86 ASP CA C 120 52.656 51.378 1.278 1
1 713 . 20 1 1 A 86 86 ASP CB C 120 40.163 44.271 -4.108 1
1 714 . 20 1 1 A 86 86 ASP N N 120 119.130 118.043 1.087 1
1 715 . 20 1 1 A 87 87 PRO HA H 121 4.470 4.714 -0.244 1
1 719 . 20 1 1 A 87 87 PRO CA C 121 175.750 62.246 113.504 1
1 720 . 20 1 1 A 87 87 PRO CB C 121 62.414 32.385 30.029 1
1 723 . 20 1 1 A 87 87 PRO N N 121 49.700 137.373 -87.673 1
1 724 . 20 1 1 A 88 88 VAL H H 122 8.707 9.008 -0.301 1
1 725 . 20 1 1 A 88 88 VAL HA H 122 4.400 4.399 0.001 1
1 733 . 20 1 1 A 88 88 VAL C C 122 174.250 175.017 -0.767 1
1 734 . 20 1 1 A 88 88 VAL CA C 122 60.598 61.292 -0.694 1
1 735 . 20 1 1 A 88 88 VAL CB C 122 34.847 33.352 1.495 1
1 738 . 20 1 1 A 88 88 VAL N N 122 121.987 120.341 1.646 1
1 739 . 20 1 1 A 89 89 ASP H H 123 8.437 8.553 -0.116 1
1 740 . 20 1 1 A 89 89 ASP HA H 123 5.068 5.388 -0.320 1
1 743 . 20 1 1 A 89 89 ASP C C 123 177.435 175.994 1.441 1
1 744 . 20 1 1 A 89 89 ASP CA C 123 52.751 52.675 0.076 1
1 745 . 20 1 1 A 89 89 ASP CB C 123 40.191 41.961 -1.770 1
1 746 . 20 1 1 A 89 89 ASP N N 123 125.856 125.614 0.242 1
1 747 . 20 1 1 A 90 90 LEU H H 124 8.793 8.829 -0.036 1
1 748 . 20 1 1 A 90 90 LEU HA H 124 4.047 4.333 -0.286 1
1 749 . 20 1 1 A 90 90 LEU CA C 124 56.836 56.526 0.310 1
1 750 . 20 1 1 A 90 90 LEU CB C 124 41.301 43.431 -2.130 1
1 751 . 20 1 1 A 90 90 LEU N N 124 128.178 125.557 2.621 1
1 752 . 20 1 1 A 91 91 SER H H 125 8.927 8.136 0.791 1
1 753 . 20 1 1 A 91 91 SER HA H 125 4.287 4.099 0.188 1
1 754 . 20 1 1 A 91 91 SER C C 125 173.984 174.635 -0.651 1
1 755 . 20 1 1 A 91 91 SER CA C 125 58.498 60.357 -1.859 1
1 756 . 20 1 1 A 91 91 SER CB C 125 63.600 61.907 1.693 1
1 757 . 20 1 1 A 91 91 SER N N 125 115.226 114.381 0.845 1
1 758 . 20 1 1 A 92 92 GLY H H 126 8.250 8.680 -0.430 1
1 759 . 20 1 1 A 92 92 GLY HA2 H 126 3.950 3.724 0.226 1
1 760 . 20 1 1 A 92 92 GLY HA3 H 126 3.670 3.780 -0.110 1
1 761 . 20 1 1 A 92 92 GLY C C 126 174.700 173.805 0.895 1
1 762 . 20 1 1 A 92 92 GLY CA C 126 45.900 46.645 -0.745 1
1 763 . 20 1 1 A 92 92 GLY N N 126 109.395 112.610 -3.215 1
1 764 . 20 1 1 A 94 94 GLN C C 128 174.459 175.512 -1.053 1
1 765 . 20 1 1 A 94 94 GLN CA C 128 56.434 56.440 -0.006 1
1 766 . 20 1 1 A 94 94 GLN CB C 128 25.491 29.889 -4.398 1
1 767 . 20 1 1 A 95 95 GLU H H 129 8.474 7.709 0.765 1
1 768 . 20 1 1 A 95 95 GLU HA H 129 4.596 3.943 0.653 1
1 772 . 20 1 1 A 95 95 GLU C C 129 177.559 174.762 2.797 1
1 773 . 20 1 1 A 95 95 GLU CA C 129 57.183 57.527 -0.344 1
1 774 . 20 1 1 A 95 95 GLU CB C 129 31.432 27.113 4.319 1
1 775 . 20 1 1 A 95 95 GLU N N 129 115.145 117.218 -2.073 1
1 776 . 20 1 1 A 96 96 ILE H H 130 9.393 7.783 1.610 1
1 777 . 20 1 1 A 96 96 ILE HA H 130 4.660 5.236 -0.576 1
1 782 . 20 1 1 A 96 96 ILE C C 130 173.821 174.491 -0.670 1
1 783 . 20 1 1 A 96 96 ILE CA C 130 59.481 59.193 0.288 1
1 784 . 20 1 1 A 96 96 ILE CB C 130 41.386 41.648 -0.262 1
1 785 . 20 1 1 A 96 96 ILE N N 130 124.603 119.370 5.233 1
1 786 . 20 1 1 A 97 97 THR H H 131 9.341 8.758 0.583 1
1 787 . 20 1 1 A 97 97 THR HA H 131 5.135 5.434 -0.299 1
1 790 . 20 1 1 A 97 97 THR C C 131 172.742 173.028 -0.286 1
1 791 . 20 1 1 A 97 97 THR CA C 131 62.458 60.688 1.770 1
1 792 . 20 1 1 A 97 97 THR CB C 131 69.995 70.560 -0.565 1
1 794 . 20 1 1 A 97 97 THR N N 131 125.280 120.987 4.293 1
1 795 . 20 1 1 A 98 98 ARG H H 132 9.286 9.068 0.218 1
1 796 . 20 1 1 A 98 98 ARG HA H 132 5.263 5.160 0.103 1
1 802 . 20 1 1 A 98 98 ARG C C 132 175.462 173.686 1.776 1
1 803 . 20 1 1 A 98 98 ARG CA C 132 53.122 54.302 -1.180 1
1 804 . 20 1 1 A 98 98 ARG CB C 132 32.555 34.166 -1.611 1
1 805 . 20 1 1 A 98 98 ARG N N 132 126.525 126.800 -0.275 1
1 806 . 20 1 1 A 99 99 ILE H H 133 9.338 8.625 0.713 1
1 807 . 20 1 1 A 99 99 ILE HA H 133 3.959 5.083 -1.124 1
1 816 . 20 1 1 A 99 99 ILE C C 133 173.860 174.184 -0.324 1
1 817 . 20 1 1 A 99 99 ILE CA C 133 59.719 59.543 0.176 1
1 818 . 20 1 1 A 99 99 ILE CB C 133 41.429 41.590 -0.161 1
1 821 . 20 1 1 A 99 99 ILE N N 133 129.483 125.431 4.052 1
1 822 . 20 1 1 A 100 100 LYS H H 134 8.457 8.995 -0.538 1
1 823 . 20 1 1 A 100 100 LYS HA H 134 4.990 5.182 -0.192 1
1 824 . 20 1 1 A 100 100 LYS C C 134 175.750 175.743 0.007 1
1 825 . 20 1 1 A 100 100 LYS CA C 134 54.548 54.884 -0.336 1
1 826 . 20 1 1 A 100 100 LYS CB C 134 32.800 34.407 -1.607 1
1 827 . 20 1 1 A 100 100 LYS N N 134 128.506 128.679 -0.173 1
1 828 . 20 1 1 A 101 101 GLY H H 135 8.968 9.488 -0.520 1
1 829 . 20 1 1 A 101 101 GLY HA2 H 135 5.350 4.354 0.996 1
1 830 . 20 1 1 A 101 101 GLY HA3 H 135 3.290 4.379 -1.089 1
1 831 . 20 1 1 A 101 101 GLY C C 135 171.558 172.036 -0.478 1
1 832 . 20 1 1 A 101 101 GLY CA C 135 44.286 44.228 0.058 1
1 833 . 20 1 1 A 101 101 GLY N N 135 110.167 112.169 -2.002 1
1 834 . 20 1 1 A 102 102 LYS H H 136 9.158 8.795 0.363 1
1 835 . 20 1 1 A 102 102 LYS C C 136 174.516 173.728 0.788 1
1 836 . 20 1 1 A 102 102 LYS CA C 136 53.781 54.668 -0.887 1
1 837 . 20 1 1 A 102 102 LYS CB C 136 34.807 36.178 -1.371 1
1 838 . 20 1 1 A 102 102 LYS N N 136 119.838 121.880 -2.042 1
1 839 . 20 1 1 A 103 103 GLU H H 137 8.711 9.088 -0.377 1
1 840 . 20 1 1 A 103 103 GLU HA H 137 4.709 4.942 -0.233 1
1 841 . 20 1 1 A 103 103 GLU C C 137 176.875 174.790 2.085 1
1 842 . 20 1 1 A 103 103 GLU CA C 137 56.833 54.846 1.987 1
1 843 . 20 1 1 A 103 103 GLU CB C 137 30.640 31.378 -0.738 1
1 844 . 20 1 1 A 103 103 GLU N N 137 124.293 127.148 -2.855 1
1 845 . 20 1 1 A 104 104 ASP H H 138 9.334 8.941 0.393 1
1 846 . 20 1 1 A 104 104 ASP HA H 138 4.954 4.822 0.132 1
1 849 . 20 1 1 A 104 104 ASP C C 138 175.340 175.050 0.290 1
1 850 . 20 1 1 A 104 104 ASP CA C 138 53.107 53.434 -0.327 1
1 851 . 20 1 1 A 104 104 ASP CB C 138 42.374 39.558 2.816 1
1 852 . 20 1 1 A 104 104 ASP N N 138 127.542 128.985 -1.443 1
1 853 . 20 1 1 A 105 105 GLY H H 139 7.732 7.764 -0.032 1
1 854 . 20 1 1 A 105 105 GLY HA2 H 139 4.360 4.258 0.102 1
1 855 . 20 1 1 A 105 105 GLY HA3 H 139 3.800 4.262 -0.462 1
1 856 . 20 1 1 A 105 105 GLY C C 139 172.374 171.301 1.073 1
1 857 . 20 1 1 A 105 105 GLY CA C 139 43.800 46.074 -2.274 1
1 858 . 20 1 1 A 105 105 GLY N N 139 106.466 112.031 -5.565 1
1 859 . 20 1 1 A 106 106 ALA H H 140 8.191 8.439 -0.248 1
1 860 . 20 1 1 A 106 106 ALA HA H 140 4.564 5.257 -0.693 1
1 864 . 20 1 1 A 106 106 ALA C C 140 177.004 175.550 1.454 1
1 865 . 20 1 1 A 106 106 ALA CA C 140 51.406 51.226 0.180 1
1 866 . 20 1 1 A 106 106 ALA CB C 140 19.500 22.602 -3.102 1
1 867 . 20 1 1 A 106 106 ALA N N 140 120.674 122.752 -2.078 1
1 868 . 20 1 1 A 107 107 TYR H H 141 8.458 8.845 -0.387 1
1 869 . 20 1 1 A 107 107 TYR HA H 141 4.578 4.771 -0.193 1
1 873 . 20 1 1 A 107 107 TYR C C 141 174.746 174.725 0.021 1
1 874 . 20 1 1 A 107 107 TYR CA C 141 56.554 57.649 -1.095 1
1 875 . 20 1 1 A 107 107 TYR CB C 141 38.649 40.516 -1.867 1
1 878 . 20 1 1 A 107 107 TYR N N 141 121.312 122.482 -1.170 1
1 879 . 20 1 1 A 108 108 VAL H H 142 7.941 7.767 0.174 1
1 880 . 20 1 1 A 108 108 VAL HA H 142 4.008 3.614 0.394 1
1 888 . 20 1 1 A 108 108 VAL C C 142 174.701 175.240 -0.539 1
1 889 . 20 1 1 A 108 108 VAL CA C 142 60.912 63.641 -2.729 1
1 890 . 20 1 1 A 108 108 VAL CB C 142 32.065 29.921 2.144 1
1 893 . 20 1 1 A 108 108 VAL N N 142 125.257 121.305 3.952 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 99 30.405 1
2 1 1 1 "RMS(OBS, PRED)" CA 103 22.526 1
3 1 1 1 "RMS(OBS, PRED)" CB 94 6.652 1
4 1 1 1 "RMS(OBS, PRED)" H 90 0.534 1
5 1 1 1 "RMS(OBS, PRED)" HA 105 0.434 1
6 1 1 1 "RMS(OBS, PRED)" N 94 18.849 1
7 1 2 1 "RMS(OBS, PRED)" C 99 30.429 1
8 1 2 1 "RMS(OBS, PRED)" CA 103 22.511 1
9 1 2 1 "RMS(OBS, PRED)" CB 94 6.545 1
10 1 2 1 "RMS(OBS, PRED)" H 90 0.572 1
11 1 2 1 "RMS(OBS, PRED)" HA 105 0.427 1
12 1 2 1 "RMS(OBS, PRED)" N 94 18.706 1
13 1 3 1 "RMS(OBS, PRED)" C 99 30.387 1
14 1 3 1 "RMS(OBS, PRED)" CA 103 22.511 1
15 1 3 1 "RMS(OBS, PRED)" CB 94 6.595 1
16 1 3 1 "RMS(OBS, PRED)" H 90 0.581 1
17 1 3 1 "RMS(OBS, PRED)" HA 105 0.475 1
18 1 3 1 "RMS(OBS, PRED)" N 94 18.561 1
19 1 4 1 "RMS(OBS, PRED)" C 99 30.361 1
20 1 4 1 "RMS(OBS, PRED)" CA 103 22.465 1
21 1 4 1 "RMS(OBS, PRED)" CB 94 6.657 1
22 1 4 1 "RMS(OBS, PRED)" H 90 0.571 1
23 1 4 1 "RMS(OBS, PRED)" HA 105 0.419 1
24 1 4 1 "RMS(OBS, PRED)" N 94 18.570 1
25 1 5 1 "RMS(OBS, PRED)" C 99 30.298 1
26 1 5 1 "RMS(OBS, PRED)" CA 103 22.532 1
27 1 5 1 "RMS(OBS, PRED)" CB 94 6.635 1
28 1 5 1 "RMS(OBS, PRED)" H 90 0.584 1
29 1 5 1 "RMS(OBS, PRED)" HA 105 0.468 1
30 1 5 1 "RMS(OBS, PRED)" N 94 18.657 1
31 1 6 1 "RMS(OBS, PRED)" C 99 30.363 1
32 1 6 1 "RMS(OBS, PRED)" CA 103 22.491 1
33 1 6 1 "RMS(OBS, PRED)" CB 94 6.672 1
34 1 6 1 "RMS(OBS, PRED)" H 90 0.622 1
35 1 6 1 "RMS(OBS, PRED)" HA 105 0.436 1
36 1 6 1 "RMS(OBS, PRED)" N 94 18.651 1
37 1 7 1 "RMS(OBS, PRED)" C 99 30.329 1
38 1 7 1 "RMS(OBS, PRED)" CA 103 22.507 1
39 1 7 1 "RMS(OBS, PRED)" CB 94 6.648 1
40 1 7 1 "RMS(OBS, PRED)" H 90 0.586 1
41 1 7 1 "RMS(OBS, PRED)" HA 105 0.455 1
42 1 7 1 "RMS(OBS, PRED)" N 94 18.782 1
43 1 8 1 "RMS(OBS, PRED)" C 99 30.367 1
44 1 8 1 "RMS(OBS, PRED)" CA 103 22.536 1
45 1 8 1 "RMS(OBS, PRED)" CB 94 6.597 1
46 1 8 1 "RMS(OBS, PRED)" H 90 0.541 1
47 1 8 1 "RMS(OBS, PRED)" HA 105 0.436 1
48 1 8 1 "RMS(OBS, PRED)" N 94 18.499 1
49 1 9 1 "RMS(OBS, PRED)" C 99 30.363 1
50 1 9 1 "RMS(OBS, PRED)" CA 103 22.507 1
51 1 9 1 "RMS(OBS, PRED)" CB 94 6.614 1
52 1 9 1 "RMS(OBS, PRED)" H 90 0.623 1
53 1 9 1 "RMS(OBS, PRED)" HA 105 0.473 1
54 1 9 1 "RMS(OBS, PRED)" N 94 18.638 1
55 1 10 1 "RMS(OBS, PRED)" C 99 30.284 1
56 1 10 1 "RMS(OBS, PRED)" CA 103 22.475 1
57 1 10 1 "RMS(OBS, PRED)" CB 94 6.629 1
58 1 10 1 "RMS(OBS, PRED)" H 90 0.573 1
59 1 10 1 "RMS(OBS, PRED)" HA 105 0.429 1
60 1 10 1 "RMS(OBS, PRED)" N 94 18.434 1
61 1 11 1 "RMS(OBS, PRED)" C 99 30.348 1
62 1 11 1 "RMS(OBS, PRED)" CA 103 22.503 1
63 1 11 1 "RMS(OBS, PRED)" CB 94 6.610 1
64 1 11 1 "RMS(OBS, PRED)" H 90 0.518 1
65 1 11 1 "RMS(OBS, PRED)" HA 105 0.421 1
66 1 11 1 "RMS(OBS, PRED)" N 94 18.741 1
67 1 12 1 "RMS(OBS, PRED)" C 99 30.302 1
68 1 12 1 "RMS(OBS, PRED)" CA 103 22.517 1
69 1 12 1 "RMS(OBS, PRED)" CB 94 6.615 1
70 1 12 1 "RMS(OBS, PRED)" H 90 0.560 1
71 1 12 1 "RMS(OBS, PRED)" HA 105 0.446 1
72 1 12 1 "RMS(OBS, PRED)" N 94 18.262 1
73 1 13 1 "RMS(OBS, PRED)" C 99 30.397 1
74 1 13 1 "RMS(OBS, PRED)" CA 103 22.544 1
75 1 13 1 "RMS(OBS, PRED)" CB 94 6.563 1
76 1 13 1 "RMS(OBS, PRED)" H 90 0.590 1
77 1 13 1 "RMS(OBS, PRED)" HA 105 0.444 1
78 1 13 1 "RMS(OBS, PRED)" N 94 18.560 1
79 1 14 1 "RMS(OBS, PRED)" C 99 30.320 1
80 1 14 1 "RMS(OBS, PRED)" CA 103 22.500 1
81 1 14 1 "RMS(OBS, PRED)" CB 94 6.582 1
82 1 14 1 "RMS(OBS, PRED)" H 90 0.590 1
83 1 14 1 "RMS(OBS, PRED)" HA 105 0.431 1
84 1 14 1 "RMS(OBS, PRED)" N 94 18.822 1
85 1 15 1 "RMS(OBS, PRED)" C 99 30.323 1
86 1 15 1 "RMS(OBS, PRED)" CA 103 22.512 1
87 1 15 1 "RMS(OBS, PRED)" CB 94 6.530 1
88 1 15 1 "RMS(OBS, PRED)" H 90 0.575 1
89 1 15 1 "RMS(OBS, PRED)" HA 105 0.469 1
90 1 15 1 "RMS(OBS, PRED)" N 94 18.459 1
91 1 16 1 "RMS(OBS, PRED)" C 99 30.372 1
92 1 16 1 "RMS(OBS, PRED)" CA 103 22.543 1
93 1 16 1 "RMS(OBS, PRED)" CB 94 6.629 1
94 1 16 1 "RMS(OBS, PRED)" H 90 0.556 1
95 1 16 1 "RMS(OBS, PRED)" HA 105 0.466 1
96 1 16 1 "RMS(OBS, PRED)" N 94 18.741 1
97 1 17 1 "RMS(OBS, PRED)" C 99 30.392 1
98 1 17 1 "RMS(OBS, PRED)" CA 103 22.450 1
99 1 17 1 "RMS(OBS, PRED)" CB 94 6.662 1
100 1 17 1 "RMS(OBS, PRED)" H 90 0.534 1
101 1 17 1 "RMS(OBS, PRED)" HA 105 0.453 1
102 1 17 1 "RMS(OBS, PRED)" N 94 18.677 1
103 1 18 1 "RMS(OBS, PRED)" C 99 30.333 1
104 1 18 1 "RMS(OBS, PRED)" CA 103 22.512 1
105 1 18 1 "RMS(OBS, PRED)" CB 94 6.598 1
106 1 18 1 "RMS(OBS, PRED)" H 90 0.568 1
107 1 18 1 "RMS(OBS, PRED)" HA 105 0.412 1
108 1 18 1 "RMS(OBS, PRED)" N 94 18.883 1
109 1 19 1 "RMS(OBS, PRED)" C 99 30.328 1
110 1 19 1 "RMS(OBS, PRED)" CA 103 22.555 1
111 1 19 1 "RMS(OBS, PRED)" CB 94 6.616 1
112 1 19 1 "RMS(OBS, PRED)" H 90 0.599 1
113 1 19 1 "RMS(OBS, PRED)" HA 105 0.468 1
114 1 19 1 "RMS(OBS, PRED)" N 94 18.616 1
115 1 20 1 "RMS(OBS, PRED)" C 99 30.288 1
116 1 20 1 "RMS(OBS, PRED)" CA 103 22.494 1
117 1 20 1 "RMS(OBS, PRED)" CB 94 6.727 1
118 1 20 1 "RMS(OBS, PRED)" H 90 0.581 1
119 1 20 1 "RMS(OBS, PRED)" HA 105 0.494 1
120 1 20 1 "RMS(OBS, PRED)" N 94 18.603 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 9 . 1 1 A 2 2 TYR H H 36 7.537 7.970 -0.433 2
1 10 . 1 1 A 2 2 TYR HA H 36 3.945 4.769 -0.824 2
1 15 . 1 1 A 2 2 TYR C C 36 176.000 175.037 0.963 2
1 16 . 1 1 A 2 2 TYR CA C 36 57.871 57.655 0.216 2
1 17 . 1 1 A 2 2 TYR CB C 36 37.248 39.012 -1.764 2
1 18 . 1 1 A 2 2 TYR N N 36 117.048 119.087 -2.039 2
1 19 . 1 1 A 3 3 GLU H H 37 7.718 8.460 -0.742 2
1 20 . 1 1 A 3 3 GLU HA H 37 4.025 4.504 -0.479 2
1 24 . 1 1 A 3 3 GLU C C 37 176.100 175.870 0.230 2
1 25 . 1 1 A 3 3 GLU CA C 37 56.788 56.126 0.662 2
1 26 . 1 1 A 3 3 GLU CB C 37 29.527 29.469 0.058 2
1 28 . 1 1 A 3 3 GLU N N 37 118.925 121.647 -2.722 2
1 29 . 1 1 A 4 4 GLU H H 38 7.866 8.182 -0.316 2
1 30 . 1 1 A 4 4 GLU HA H 38 4.215 4.608 -0.393 2
1 35 . 1 1 A 4 4 GLU C C 38 176.205 175.509 0.696 2
1 36 . 1 1 A 4 4 GLU CA C 38 55.595 56.366 -0.771 2
1 37 . 1 1 A 4 4 GLU CB C 38 29.162 30.498 -1.336 2
1 38 . 1 1 A 4 4 GLU N N 38 116.623 119.752 -3.129 2
1 39 . 1 1 A 5 5 PHE H H 39 8.087 8.488 -0.401 2
1 40 . 1 1 A 5 5 PHE HA H 39 4.780 4.836 -0.056 2
1 46 . 1 1 A 5 5 PHE C C 39 176.758 174.862 1.896 2
1 47 . 1 1 A 5 5 PHE CA C 39 54.914 57.595 -2.681 2
1 48 . 1 1 A 5 5 PHE CB C 39 36.531 40.280 -3.749 2
1 49 . 1 1 A 5 5 PHE N N 39 121.852 122.101 -0.249 2
1 50 . 1 1 A 6 6 ARG HA H 40 4.515 4.503 0.012 2
1 51 . 1 1 A 6 6 ARG C C 40 176.376 174.484 1.892 2
1 52 . 1 1 A 6 6 ARG CA C 40 56.288 56.108 0.180 2
1 53 . 1 1 A 6 6 ARG CB C 40 31.100 30.732 0.368 2
1 54 . 1 1 A 7 7 ASP H H 41 8.851 7.946 0.905 2
1 55 . 1 1 A 7 7 ASP HA H 41 5.182 5.083 0.099 2
1 57 . 1 1 A 7 7 ASP C C 41 175.379 174.783 0.596 2
1 58 . 1 1 A 7 7 ASP CA C 41 53.324 52.750 0.574 2
1 59 . 1 1 A 7 7 ASP CB C 41 44.292 43.905 0.387 2
1 60 . 1 1 A 7 7 ASP N N 41 119.795 120.406 -0.611 2
1 61 . 1 1 A 8 8 VAL H H 42 8.580 8.620 -0.040 2
1 62 . 1 1 A 8 8 VAL HA H 42 4.856 4.812 0.044 2
1 70 . 1 1 A 8 8 VAL C C 42 175.170 175.191 -0.021 2
1 71 . 1 1 A 8 8 VAL CA C 42 61.398 61.171 0.227 2
1 72 . 1 1 A 8 8 VAL CB C 42 33.643 33.204 0.439 2
1 75 . 1 1 A 8 8 VAL N N 42 120.042 120.064 -0.022 2
1 76 . 1 1 A 9 9 ILE H H 43 8.765 9.218 -0.453 2
1 77 . 1 1 A 9 9 ILE HA H 43 4.939 4.909 0.030 2
1 79 . 1 1 A 9 9 ILE C C 43 173.755 174.682 -0.927 2
1 80 . 1 1 A 9 9 ILE CA C 43 58.528 59.356 -0.828 2
1 81 . 1 1 A 9 9 ILE CB C 43 40.437 41.385 -0.948 2
1 82 . 1 1 A 9 9 ILE N N 43 117.778 126.340 -8.562 2
1 83 . 1 1 A 10 10 THR H H 44 7.834 8.148 -0.314 2
1 84 . 1 1 A 10 10 THR HA H 44 4.709 4.725 -0.016 2
1 87 . 1 1 A 10 10 THR C C 44 173.691 173.567 0.124 2
1 88 . 1 1 A 10 10 THR CA C 44 61.662 61.285 0.377 2
1 89 . 1 1 A 10 10 THR CB C 44 70.906 69.899 1.007 2
1 91 . 1 1 A 10 10 THR N N 44 116.613 118.987 -2.374 2
1 92 . 1 1 A 11 11 PHE H H 45 8.821 8.653 0.168 2
1 93 . 1 1 A 11 11 PHE HA H 45 4.807 5.072 -0.265 2
1 94 . 1 1 A 11 11 PHE C C 45 175.619 175.113 0.506 2
1 95 . 1 1 A 11 11 PHE CA C 45 57.779 56.422 1.357 2
1 96 . 1 1 A 11 11 PHE CB C 45 39.649 40.669 -1.020 2
1 97 . 1 1 A 11 11 PHE N N 45 125.155 125.807 -0.652 2
1 98 . 1 1 A 12 12 GLN H H 46 9.103 8.799 0.304 2
1 99 . 1 1 A 12 12 GLN HA H 46 5.573 5.203 0.370 2
1 103 . 1 1 A 12 12 GLN C C 46 175.011 174.562 0.449 2
1 104 . 1 1 A 12 12 GLN CA C 46 54.423 54.203 0.220 2
1 105 . 1 1 A 12 12 GLN CB C 46 34.467 32.697 1.770 2
1 106 . 1 1 A 12 12 GLN N N 46 119.069 121.523 -2.454 2
1 107 . 1 1 A 13 13 SER H H 47 8.730 8.975 -0.245 2
1 108 . 1 1 A 13 13 SER HA H 47 5.229 5.469 -0.240 2
1 110 . 1 1 A 13 13 SER C C 47 171.559 172.179 -0.620 2
1 111 . 1 1 A 13 13 SER CA C 47 56.514 56.551 -0.037 2
1 112 . 1 1 A 13 13 SER CB C 47 66.075 66.267 -0.192 2
1 113 . 1 1 A 13 13 SER N N 47 114.734 116.028 -1.294 2
1 114 . 1 1 A 14 14 TYR H H 48 8.544 8.764 -0.220 2
1 115 . 1 1 A 14 14 TYR HA H 48 4.256 4.827 -0.571 2
1 120 . 1 1 A 14 14 TYR C C 48 175.437 173.818 1.619 2
1 121 . 1 1 A 14 14 TYR CA C 48 56.137 55.726 0.411 2
1 122 . 1 1 A 14 14 TYR CB C 48 36.242 40.719 -4.477 2
1 125 . 1 1 A 14 14 TYR N N 48 126.962 125.344 1.619 2
1 126 . 1 1 A 15 15 VAL H H 49 8.537 8.697 -0.160 2
1 127 . 1 1 A 15 15 VAL HA H 49 4.360 4.641 -0.281 2
1 132 . 1 1 A 15 15 VAL C C 49 174.600 174.661 -0.061 2
1 133 . 1 1 A 15 15 VAL CA C 49 62.600 60.170 2.430 2
1 134 . 1 1 A 15 15 VAL CB C 49 35.100 34.718 0.382 2
1 136 . 1 1 A 15 15 VAL N N 49 123.837 126.085 -2.248 2
1 137 . 1 1 A 16 16 GLU H H 50 8.296 8.628 -0.332 2
1 138 . 1 1 A 16 16 GLU HA H 50 3.702 4.444 -0.742 2
1 142 . 1 1 A 16 16 GLU C C 50 175.947 175.709 0.238 2
1 143 . 1 1 A 16 16 GLU CA C 50 55.400 55.609 -0.209 2
1 144 . 1 1 A 16 16 GLU CB C 50 30.100 30.548 -0.448 2
1 145 . 1 1 A 16 16 GLU N N 50 124.989 124.455 0.534 2
1 146 . 1 1 A 17 17 GLN H H 51 8.529 8.179 0.350 2
1 147 . 1 1 A 17 17 GLN HA H 51 4.415 4.482 -0.067 2
1 151 . 1 1 A 17 17 GLN C C 51 175.122 174.714 0.408 2
1 152 . 1 1 A 17 17 GLN CA C 51 54.060 55.615 -1.555 2
1 153 . 1 1 A 17 17 GLN CB C 51 29.943 29.649 0.294 2
1 155 . 1 1 A 17 17 GLN N N 51 124.656 119.620 5.036 2
1 156 . 1 1 A 18 18 SER HA H 52 4.420 4.642 -0.222 2
1 157 . 1 1 A 18 18 SER C C 52 173.505 173.688 -0.183 2
1 158 . 1 1 A 18 18 SER CA C 52 58.279 58.034 0.245 2
1 159 . 1 1 A 18 18 SER CB C 52 63.835 63.723 0.112 2
1 160 . 1 1 A 19 19 ASN H H 53 8.109 8.387 -0.278 2
1 161 . 1 1 A 19 19 ASN HA H 53 4.399 4.898 -0.499 2
1 164 . 1 1 A 19 19 ASN C C 53 179.837 175.279 4.558 2
1 165 . 1 1 A 19 19 ASN CA C 53 54.664 52.918 1.746 2
1 166 . 1 1 A 19 19 ASN CB C 53 39.983 38.962 1.021 2
1 167 . 1 1 A 19 19 ASN N N 53 126.199 119.819 6.380 2
1 168 . 1 1 A 20 20 GLY H H 54 8.166 8.231 -0.065 2
1 169 . 1 1 A 20 20 GLY HA2 H 54 3.911 3.990 -0.079 2
1 170 . 1 1 A 20 20 GLY C C 54 174.876 173.998 0.878 2
1 171 . 1 1 A 20 20 GLY CA C 54 45.206 45.896 -0.690 2
1 172 . 1 1 A 20 20 GLY N N 54 113.067 108.064 5.003 2
1 173 . 1 1 A 22 22 GLY CA C 56 45.279 45.800 -0.521 2
1 174 . 1 1 A 23 23 GLY H H 57 8.235 8.241 -0.006 2
1 175 . 1 1 A 23 23 GLY HA2 H 57 3.929 4.076 -0.147 2
1 176 . 1 1 A 23 23 GLY C C 57 173.796 173.263 0.533 2
1 177 . 1 1 A 23 23 GLY CA C 57 45.348 45.752 -0.404 2
1 178 . 1 1 A 23 23 GLY N N 57 108.389 108.754 -0.365 2
1 179 . 1 1 A 24 24 LYS HA H 58 4.804 4.550 0.254 2
1 180 . 1 1 A 24 24 LYS C C 58 175.908 175.070 0.838 2
1 181 . 1 1 A 24 24 LYS CA C 58 54.833 55.773 -0.940 2
1 182 . 1 1 A 24 24 LYS CB C 58 34.402 33.005 1.397 2
1 183 . 1 1 A 25 25 THR H H 59 8.413 7.896 0.517 2
1 184 . 1 1 A 25 25 THR HA H 59 4.482 4.731 -0.249 2
1 187 . 1 1 A 25 25 THR C C 59 171.934 172.328 -0.394 2
1 188 . 1 1 A 25 25 THR CA C 59 60.144 60.373 -0.229 2
1 189 . 1 1 A 25 25 THR CB C 59 71.035 70.914 0.121 2
1 191 . 1 1 A 25 25 THR N N 59 115.947 115.071 0.876 2
1 192 . 1 1 A 26 26 TYR H H 60 8.182 8.554 -0.372 2
1 193 . 1 1 A 26 26 TYR HA H 60 4.883 5.286 -0.403 2
1 198 . 1 1 A 26 26 TYR C C 60 173.593 173.995 -0.402 2
1 199 . 1 1 A 26 26 TYR CA C 60 54.043 55.745 -1.702 2
1 200 . 1 1 A 26 26 TYR CB C 60 40.100 41.592 -1.492 2
1 202 . 1 1 A 26 26 TYR N N 60 121.985 122.314 -0.329 2
1 203 . 1 1 A 27 27 LYS H H 61 8.385 8.623 -0.238 2
1 204 . 1 1 A 27 27 LYS HA H 61 4.563 5.082 -0.519 2
1 205 . 1 1 A 27 27 LYS C C 61 174.186 174.793 -0.607 2
1 206 . 1 1 A 27 27 LYS CA C 61 54.589 54.828 -0.239 2
1 207 . 1 1 A 27 27 LYS CB C 61 35.801 36.181 -0.380 2
1 208 . 1 1 A 27 27 LYS N N 61 120.203 121.053 -0.850 2
1 209 . 1 1 A 28 28 TRP H H 62 8.524 8.877 -0.353 2
1 210 . 1 1 A 28 28 TRP HA H 62 5.361 5.498 -0.137 2
1 215 . 1 1 A 28 28 TRP C C 62 176.934 175.956 0.978 2
1 216 . 1 1 A 28 28 TRP CA C 62 56.499 56.013 0.486 2
1 217 . 1 1 A 28 28 TRP CB C 62 29.300 31.393 -2.093 2
1 218 . 1 1 A 28 28 TRP N N 62 122.913 124.500 -1.587 2
1 220 . 1 1 A 29 29 VAL H H 63 9.470 8.832 0.638 2
1 221 . 1 1 A 29 29 VAL HA H 63 4.626 4.946 -0.320 2
1 229 . 1 1 A 29 29 VAL C C 63 175.264 173.956 1.308 2
1 230 . 1 1 A 29 29 VAL CA C 63 59.163 59.745 -0.582 2
1 231 . 1 1 A 29 29 VAL CB C 63 34.759 35.893 -1.134 2
1 234 . 1 1 A 29 29 VAL N N 63 120.454 119.878 0.576 2
1 235 . 1 1 A 30 30 ASP H H 64 8.576 8.819 -0.242 2
1 236 . 1 1 A 30 30 ASP HA H 64 4.386 4.899 -0.513 2
1 237 . 1 1 A 30 30 ASP C C 64 174.186 176.125 -1.939 2
1 238 . 1 1 A 30 30 ASP CA C 64 55.907 53.838 2.069 2
1 239 . 1 1 A 30 30 ASP CB C 64 39.942 42.164 -2.222 2
1 240 . 1 1 A 30 30 ASP N N 64 123.588 124.423 -0.835 2
1 241 . 1 1 A 31 31 GLU H H 65 9.482 9.309 0.173 2
1 242 . 1 1 A 31 31 GLU HA H 65 4.674 4.477 0.197 2
1 246 . 1 1 A 31 31 GLU C C 65 176.000 176.445 -0.445 2
1 247 . 1 1 A 31 31 GLU CA C 65 57.263 58.227 -0.964 2
1 248 . 1 1 A 31 31 GLU CB C 65 30.200 31.348 -1.148 2
1 250 . 1 1 A 31 31 GLU N N 65 124.008 124.568 -0.560 2
1 251 . 1 1 A 32 32 PHE H H 66 7.257 7.401 -0.144 2
1 252 . 1 1 A 32 32 PHE HA H 66 4.940 5.141 -0.201 2
1 254 . 1 1 A 32 32 PHE C C 66 172.742 172.883 -0.141 2
1 255 . 1 1 A 32 32 PHE CA C 66 56.316 56.599 -0.283 2
1 256 . 1 1 A 32 32 PHE CB C 66 38.948 40.747 -1.799 2
1 257 . 1 1 A 32 32 PHE N N 66 110.866 113.139 -2.273 2
1 258 . 1 1 A 33 33 THR H H 67 8.603 8.843 -0.240 2
1 259 . 1 1 A 33 33 THR HA H 67 5.377 5.240 0.137 2
1 262 . 1 1 A 33 33 THR C C 67 173.388 172.960 0.428 2
1 263 . 1 1 A 33 33 THR CA C 67 60.207 60.393 -0.186 2
1 264 . 1 1 A 33 33 THR CB C 67 71.620 71.506 0.114 2
1 266 . 1 1 A 33 33 THR N N 67 114.847 114.061 0.786 2
1 267 . 1 1 A 34 34 ALA H H 68 9.185 8.614 0.571 2
1 268 . 1 1 A 34 34 ALA HA H 68 4.873 4.934 -0.061 2
1 272 . 1 1 A 34 34 ALA C C 68 174.999 175.863 -0.864 2
1 273 . 1 1 A 34 34 ALA CA C 68 50.660 51.460 -0.800 2
1 274 . 1 1 A 34 34 ALA CB C 68 23.911 23.893 0.018 2
1 275 . 1 1 A 34 34 ALA N N 68 125.817 126.859 -1.042 2
1 276 . 1 1 A 35 35 ALA H H 69 8.347 8.550 -0.202 2
1 277 . 1 1 A 35 35 ALA HA H 69 4.889 5.010 -0.121 2
1 281 . 1 1 A 35 35 ALA C C 69 176.937 176.855 0.082 2
1 282 . 1 1 A 35 35 ALA CA C 69 51.329 51.357 -0.028 2
1 283 . 1 1 A 35 35 ALA CB C 69 19.210 20.141 -0.931 2
1 284 . 1 1 A 35 35 ALA N N 69 122.342 122.490 -0.148 2
1 285 . 1 1 A 36 36 ALA H H 70 8.468 8.788 -0.320 2
1 286 . 1 1 A 36 36 ALA HA H 70 4.996 4.803 0.193 2
1 290 . 1 1 A 36 36 ALA C C 70 175.102 175.206 -0.104 2
1 291 . 1 1 A 36 36 ALA CA C 70 50.876 51.630 -0.754 2
1 292 . 1 1 A 36 36 ALA CB C 70 23.556 23.426 0.130 2
1 293 . 1 1 A 36 36 ALA N N 70 120.267 125.082 -4.815 2
1 294 . 1 1 A 37 37 HIS H H 71 9.136 8.448 0.688 2
1 295 . 1 1 A 37 37 HIS HA H 71 5.343 5.261 0.082 2
1 298 . 1 1 A 37 37 HIS C C 71 174.002 173.507 0.495 2
1 299 . 1 1 A 37 37 HIS CA C 71 54.803 54.250 0.553 2
1 300 . 1 1 A 37 37 HIS CB C 71 32.322 32.198 0.124 2
1 301 . 1 1 A 37 37 HIS N N 71 119.360 119.413 -0.053 2
1 302 . 1 1 A 38 38 VAL H H 72 8.557 8.932 -0.375 2
1 303 . 1 1 A 38 38 VAL HA H 72 4.174 4.519 -0.345 2
1 311 . 1 1 A 38 38 VAL C C 72 174.000 174.488 -0.488 2
1 312 . 1 1 A 38 38 VAL CA C 72 61.587 61.269 0.318 2
1 313 . 1 1 A 38 38 VAL CB C 72 31.381 32.673 -1.292 2
1 316 . 1 1 A 38 38 VAL N N 72 127.947 127.069 0.878 2
1 317 . 1 1 A 39 39 GLN H H 73 8.971 8.663 0.308 2
1 318 . 1 1 A 39 39 GLN HA H 73 5.019 4.598 0.421 2
1 321 . 1 1 A 39 39 GLN C C 73 173.260 173.348 -0.088 2
1 322 . 1 1 A 39 39 GLN CA C 73 51.310 52.400 -1.089 2
1 323 . 1 1 A 39 39 GLN CB C 73 30.955 31.414 -0.459 2
1 324 . 1 1 A 39 39 GLN N N 73 127.985 125.903 2.082 2
1 325 . 1 1 A 40 40 PRO HA H 74 4.707 3.764 0.943 2
1 329 . 1 1 A 40 40 PRO C C 74 3.820 176.703 -172.883 2
1 330 . 1 1 A 40 40 PRO CA C 74 176.828 62.340 114.488 2
1 331 . 1 1 A 40 40 PRO CB C 74 62.215 31.975 30.240 2
1 333 . 1 1 A 40 40 PRO N N 74 50.800 136.694 -85.894 2
1 334 . 1 1 A 41 41 ILE H H 75 8.105 8.379 -0.273 2
1 335 . 1 1 A 41 41 ILE HA H 75 4.074 4.041 0.033 2
1 338 . 1 1 A 41 41 ILE C C 75 175.881 175.493 0.388 2
1 339 . 1 1 A 41 41 ILE CA C 75 61.399 61.813 -0.414 2
1 340 . 1 1 A 41 41 ILE CB C 75 38.214 37.544 0.670 2
1 342 . 1 1 A 41 41 ILE N N 75 122.818 120.862 1.956 2
1 343 . 1 1 A 43 43 GLN HA H 77 4.267 4.497 -0.230 2
1 344 . 1 1 A 43 43 GLN C C 77 176.255 176.217 0.038 2
1 345 . 1 1 A 43 43 GLN CA C 77 56.500 55.612 0.888 2
1 346 . 1 1 A 43 43 GLN CB C 77 29.100 28.999 0.101 2
1 347 . 1 1 A 44 44 GLU H H 78 8.458 8.393 0.065 2
1 348 . 1 1 A 44 44 GLU HA H 78 4.184 4.315 -0.131 2
1 351 . 1 1 A 44 44 GLU C C 78 177.000 176.561 0.439 2
1 352 . 1 1 A 44 44 GLU CA C 78 57.400 57.437 -0.037 2
1 353 . 1 1 A 44 44 GLU CB C 78 29.148 29.953 -0.805 2
1 355 . 1 1 A 44 44 GLU N N 78 120.627 121.278 -0.651 2
1 356 . 1 1 A 45 45 GLU H H 79 8.283 7.959 0.324 2
1 357 . 1 1 A 45 45 GLU HA H 79 4.121 4.271 -0.150 2
1 360 . 1 1 A 45 45 GLU C C 79 176.972 176.398 0.574 2
1 361 . 1 1 A 45 45 GLU CA C 79 57.106 56.983 0.123 2
1 362 . 1 1 A 45 45 GLU CB C 79 29.680 29.048 0.632 2
1 364 . 1 1 A 45 45 GLU N N 79 119.997 118.801 1.196 2
1 365 . 1 1 A 46 46 TYR H H 80 7.961 8.203 -0.242 2
1 366 . 1 1 A 46 46 TYR HA H 80 4.369 4.436 -0.067 2
1 369 . 1 1 A 46 46 TYR C C 80 176.086 175.572 0.514 2
1 370 . 1 1 A 46 46 TYR CA C 80 58.284 59.283 -0.999 2
1 371 . 1 1 A 46 46 TYR CB C 80 38.214 39.035 -0.821 2
1 372 . 1 1 A 46 46 TYR N N 80 119.582 121.931 -2.349 2
1 373 . 1 1 A 47 47 TYR H H 81 7.918 7.715 0.203 2
1 374 . 1 1 A 47 47 TYR HA H 81 4.399 4.638 -0.239 2
1 378 . 1 1 A 47 47 TYR C C 81 176.566 174.811 1.755 2
1 379 . 1 1 A 47 47 TYR CA C 81 58.479 58.281 0.198 2
1 380 . 1 1 A 47 47 TYR CB C 81 38.042 39.142 -1.099 2
1 381 . 1 1 A 47 47 TYR N N 81 119.336 118.236 1.100 2
1 382 . 1 1 A 48 48 LYS HA H 82 4.090 4.452 -0.362 2
1 383 . 1 1 A 48 48 LYS C C 82 176.894 176.272 0.622 2
1 384 . 1 1 A 48 48 LYS CA C 82 56.786 55.879 0.907 2
1 385 . 1 1 A 48 48 LYS CB C 82 32.306 33.057 -0.751 2
1 386 . 1 1 A 49 49 ALA H H 83 7.999 8.256 -0.257 2
1 387 . 1 1 A 49 49 ALA HA H 83 4.178 4.391 -0.213 2
1 391 . 1 1 A 49 49 ALA C C 83 178.193 177.255 0.938 2
1 392 . 1 1 A 49 49 ALA CA C 83 52.825 52.627 0.198 2
1 393 . 1 1 A 49 49 ALA CB C 83 18.200 19.244 -1.044 2
1 394 . 1 1 A 49 49 ALA N N 83 122.394 124.252 -1.858 2
1 395 . 1 1 A 50 50 GLN H H 84 8.006 7.844 0.162 2
1 396 . 1 1 A 50 50 GLN HA H 84 4.167 4.452 -0.284 2
1 400 . 1 1 A 50 50 GLN C C 84 176.200 175.099 1.101 2
1 401 . 1 1 A 50 50 GLN CA C 84 56.016 56.001 0.015 2
1 402 . 1 1 A 50 50 GLN CB C 84 28.467 28.991 -0.524 2
1 404 . 1 1 A 50 50 GLN N N 84 116.623 115.753 0.870 2
1 405 . 1 1 A 51 51 GLN H H 85 8.085 8.330 -0.245 2
1 406 . 1 1 A 51 51 GLN HA H 85 4.223 4.564 -0.341 2
1 410 . 1 1 A 51 51 GLN CA C 85 56.393 55.730 0.664 2
1 411 . 1 1 A 51 51 GLN CB C 85 28.600 29.413 -0.813 2
1 413 . 1 1 A 51 51 GLN N N 85 118.681 119.574 -0.893 2
1 414 . 1 1 A 53 53 GLN HA H 87 4.268 4.534 -0.266 2
1 415 . 1 1 A 53 53 GLN C C 87 175.517 174.722 0.795 2
1 416 . 1 1 A 53 53 GLN CA C 87 55.821 55.889 -0.068 2
1 417 . 1 1 A 53 53 GLN CB C 87 28.296 29.891 -1.595 2
1 418 . 1 1 A 54 54 THR H H 88 7.950 8.198 -0.248 2
1 419 . 1 1 A 54 54 THR HA H 88 4.540 4.779 -0.239 2
1 422 . 1 1 A 54 54 THR C C 88 172.445 172.760 -0.315 2
1 423 . 1 1 A 54 54 THR CA C 88 59.184 59.079 0.105 2
1 424 . 1 1 A 54 54 THR CB C 88 69.534 70.607 -1.073 2
1 426 . 1 1 A 54 54 THR N N 88 116.337 115.133 1.204 2
1 427 . 1 1 A 55 55 PRO HA H 89 4.410 4.748 -0.338 2
1 431 . 1 1 A 55 55 PRO C C 89 3.600 176.526 -172.926 2
1 432 . 1 1 A 55 55 PRO CA C 89 176.508 62.540 113.968 2
1 433 . 1 1 A 55 55 PRO CB C 89 62.325 32.221 30.104 2
1 436 . 1 1 A 55 55 PRO N N 89 50.400 140.093 -89.693 2
1 437 . 1 1 A 56 56 ILE H H 90 8.247 8.504 -0.257 2
1 438 . 1 1 A 56 56 ILE HA H 90 3.993 4.344 -0.351 2
1 443 . 1 1 A 56 56 ILE C C 90 175.132 175.439 -0.307 2
1 444 . 1 1 A 56 56 ILE CA C 90 60.718 61.161 -0.443 2
1 445 . 1 1 A 56 56 ILE CB C 90 38.277 38.682 -0.405 2
1 447 . 1 1 A 56 56 ILE N N 90 121.921 120.593 1.328 2
1 448 . 1 1 A 57 57 GLY H H 91 7.820 8.062 -0.242 2
1 449 . 1 1 A 57 57 GLY HA2 H 91 4.550 4.211 0.339 2
1 450 . 1 1 A 57 57 GLY HA3 H 91 3.640 4.280 -0.640 2
1 451 . 1 1 A 57 57 GLY C C 91 172.184 171.438 0.746 2
1 452 . 1 1 A 57 57 GLY CA C 91 43.575 45.219 -1.644 2
1 453 . 1 1 A 57 57 GLY N N 91 110.987 112.024 -1.037 2
1 454 . 1 1 A 58 58 TYR H H 92 8.593 8.825 -0.232 2
1 455 . 1 1 A 58 58 TYR HA H 92 5.166 5.296 -0.130 2
1 460 . 1 1 A 58 58 TYR C C 92 175.122 174.492 0.630 2
1 461 . 1 1 A 58 58 TYR CA C 92 56.544 56.643 -0.099 2
1 462 . 1 1 A 58 58 TYR CB C 92 43.819 42.422 1.397 2
1 465 . 1 1 A 58 58 TYR N N 92 116.307 120.556 -4.249 2
1 466 . 1 1 A 59 59 ASN H H 93 8.964 9.079 -0.115 2
1 467 . 1 1 A 59 59 ASN HA H 93 5.116 5.561 -0.445 2
1 470 . 1 1 A 59 59 ASN C C 93 173.457 174.016 -0.559 2
1 471 . 1 1 A 59 59 ASN CA C 93 52.717 52.040 0.677 2
1 472 . 1 1 A 59 59 ASN CB C 93 40.420 41.305 -0.885 2
1 473 . 1 1 A 59 59 ASN N N 93 119.232 120.321 -1.089 2
1 474 . 1 1 A 60 60 ILE H H 94 9.013 8.874 0.139 2
1 475 . 1 1 A 60 60 ILE HA H 94 4.383 5.028 -0.645 2
1 476 . 1 1 A 60 60 ILE C C 94 173.370 173.964 -0.594 2
1 477 . 1 1 A 60 60 ILE CA C 94 60.231 59.723 0.508 2
1 478 . 1 1 A 60 60 ILE CB C 94 38.728 41.788 -3.060 2
1 479 . 1 1 A 60 60 ILE N N 94 123.021 124.161 -1.140 2
1 480 . 1 1 A 61 61 TYR H H 95 8.867 8.573 0.294 2
1 481 . 1 1 A 61 61 TYR HA H 95 5.279 5.800 -0.521 2
1 486 . 1 1 A 61 61 TYR C C 95 174.262 173.839 0.423 2
1 487 . 1 1 A 61 61 TYR CA C 95 55.732 55.478 0.254 2
1 488 . 1 1 A 61 61 TYR CB C 95 39.723 41.824 -2.101 2
1 491 . 1 1 A 61 61 TYR N N 95 125.343 123.710 1.633 2
1 492 . 1 1 A 62 62 THR H H 96 8.998 8.646 0.352 2
1 493 . 1 1 A 62 62 THR HA H 96 4.889 4.750 0.139 2
1 496 . 1 1 A 62 62 THR C C 96 172.708 172.017 0.691 2
1 497 . 1 1 A 62 62 THR CA C 96 58.248 58.624 -0.377 2
1 498 . 1 1 A 62 62 THR CB C 96 73.097 72.239 0.858 2
1 500 . 1 1 A 62 62 THR N N 96 119.223 117.703 1.520 2
1 501 . 1 1 A 63 63 PRO HA H 97 4.410 4.680 -0.270 2
1 503 . 1 1 A 63 63 PRO C C 97 3.190 177.302 -174.112 2
1 504 . 1 1 A 63 63 PRO CA C 97 175.250 63.279 111.971 2
1 505 . 1 1 A 63 63 PRO CB C 97 63.642 31.959 31.683 2
1 507 . 1 1 A 63 63 PRO N N 97 51.700 139.534 -87.834 2
1 508 . 1 1 A 64 64 TYR H H 98 7.826 9.079 -1.252 2
1 509 . 1 1 A 64 64 TYR HA H 98 4.265 4.180 0.085 2
1 514 . 1 1 A 64 64 TYR C C 98 175.150 174.201 0.949 2
1 515 . 1 1 A 64 64 TYR CA C 98 59.434 59.398 0.036 2
1 516 . 1 1 A 64 64 TYR CB C 98 37.240 37.210 0.030 2
1 518 . 1 1 A 64 64 TYR N N 98 122.118 122.951 -0.833 2
1 519 . 1 1 A 65 65 ASP H H 99 5.931 7.964 -2.033 2
1 520 . 1 1 A 65 65 ASP HA H 99 4.255 4.689 -0.434 2
1 523 . 1 1 A 65 65 ASP C C 99 176.079 175.249 0.830 2
1 524 . 1 1 A 65 65 ASP CA C 99 52.885 53.455 -0.570 2
1 525 . 1 1 A 65 65 ASP CB C 99 43.486 41.872 1.614 2
1 526 . 1 1 A 65 65 ASP N N 99 125.409 120.486 4.923 2
1 527 . 1 1 A 66 66 ASP H H 100 8.703 8.546 0.157 2
1 528 . 1 1 A 66 66 ASP HA H 100 4.058 4.772 -0.714 2
1 531 . 1 1 A 66 66 ASP C C 100 176.300 176.283 0.017 2
1 532 . 1 1 A 66 66 ASP CA C 100 55.332 53.412 1.920 2
1 533 . 1 1 A 66 66 ASP CB C 100 40.206 40.707 -0.501 2
1 534 . 1 1 A 66 66 ASP N N 100 128.295 123.599 4.696 2
1 535 . 1 1 A 67 67 ARG H H 101 8.832 7.664 1.168 2
1 536 . 1 1 A 67 67 ARG HA H 101 3.944 4.202 -0.258 2
1 538 . 1 1 A 67 67 ARG C C 101 177.624 177.476 0.148 2
1 539 . 1 1 A 67 67 ARG CA C 101 56.509 57.036 -0.527 2
1 540 . 1 1 A 67 67 ARG CB C 101 31.162 30.659 0.503 2
1 541 . 1 1 A 67 67 ARG N N 101 117.507 119.655 -2.148 2
1 542 . 1 1 A 68 68 ILE H H 102 7.004 7.691 -0.686 2
1 543 . 1 1 A 68 68 ILE HA H 102 3.507 3.951 -0.444 2
1 548 . 1 1 A 68 68 ILE C C 102 174.835 175.722 -0.887 2
1 549 . 1 1 A 68 68 ILE CA C 102 63.638 64.005 -0.367 2
1 550 . 1 1 A 68 68 ILE CB C 102 36.617 37.845 -1.228 2
1 552 . 1 1 A 68 68 ILE N N 102 116.003 117.937 -1.934 2
1 553 . 1 1 A 69 69 ASP H H 103 8.026 8.033 -0.007 2
1 554 . 1 1 A 69 69 ASP HA H 103 4.954 4.809 0.145 2
1 557 . 1 1 A 69 69 ASP C C 103 175.574 174.869 0.705 2
1 558 . 1 1 A 69 69 ASP CA C 103 52.485 52.565 -0.080 2
1 559 . 1 1 A 69 69 ASP CB C 103 45.984 42.754 3.231 2
1 560 . 1 1 A 69 69 ASP N N 103 129.672 120.514 9.158 2
1 561 . 1 1 A 70 70 LYS H H 104 8.505 8.683 -0.178 2
1 562 . 1 1 A 70 70 LYS C C 104 175.300 175.752 -0.452 2
1 563 . 1 1 A 70 70 LYS CA C 104 58.027 56.261 1.766 2
1 564 . 1 1 A 70 70 LYS CB C 104 31.376 33.126 -1.750 2
1 565 . 1 1 A 70 70 LYS N N 104 119.646 123.357 -3.711 2
1 566 . 1 1 A 71 71 LYS H H 105 8.653 8.170 0.483 2
1 567 . 1 1 A 71 71 LYS HA H 105 4.513 4.127 0.386 2
1 571 . 1 1 A 71 71 LYS C C 105 178.190 174.995 3.195 2
1 572 . 1 1 A 71 71 LYS CA C 105 56.415 56.728 -0.313 2
1 573 . 1 1 A 71 71 LYS CB C 105 30.942 31.297 -0.355 2
1 575 . 1 1 A 71 71 LYS N N 105 118.554 117.864 0.690 2
1 576 . 1 1 A 72 72 MET H H 106 7.596 7.582 0.015 2
1 577 . 1 1 A 72 72 MET HA H 106 5.019 5.170 -0.151 2
1 578 . 1 1 A 72 72 MET C C 106 172.309 174.209 -1.900 2
1 579 . 1 1 A 72 72 MET CA C 106 56.500 54.243 2.257 2
1 580 . 1 1 A 72 72 MET CB C 106 34.892 36.867 -1.975 2
1 581 . 1 1 A 72 72 MET N N 106 119.949 119.091 0.858 2
1 582 . 1 1 A 73 73 ARG H H 107 8.266 8.711 -0.445 2
1 583 . 1 1 A 73 73 ARG HA H 107 4.075 5.110 -1.035 2
1 585 . 1 1 A 73 73 ARG C C 107 172.995 174.443 -1.448 2
1 586 . 1 1 A 73 73 ARG CA C 107 53.348 54.675 -1.327 2
1 587 . 1 1 A 73 73 ARG CB C 107 31.579 33.510 -1.931 2
1 588 . 1 1 A 73 73 ARG N N 107 112.423 121.818 -9.395 2
1 589 . 1 1 A 74 74 VAL H H 108 8.371 8.512 -0.141 2
1 590 . 1 1 A 74 74 VAL HA H 108 4.954 4.758 0.196 2
1 598 . 1 1 A 74 74 VAL C C 108 173.137 173.872 -0.735 2
1 599 . 1 1 A 74 74 VAL CA C 108 58.400 59.632 -1.232 2
1 600 . 1 1 A 74 74 VAL CB C 108 35.700 35.223 0.477 2
1 603 . 1 1 A 74 74 VAL N N 108 117.751 122.566 -4.815 2
1 604 . 1 1 A 75 75 ILE H H 109 8.644 8.616 0.028 2
1 605 . 1 1 A 75 75 ILE HA H 109 4.772 4.722 0.050 2
1 610 . 1 1 A 75 75 ILE C C 109 176.377 173.909 2.468 2
1 611 . 1 1 A 75 75 ILE CA C 109 57.500 59.902 -2.402 2
1 612 . 1 1 A 75 75 ILE CB C 109 35.550 39.209 -3.659 2
1 614 . 1 1 A 75 75 ILE N N 109 122.741 125.881 -3.140 2
1 615 . 1 1 A 76 76 TYR H H 110 8.928 8.363 0.565 2
1 616 . 1 1 A 76 76 TYR HA H 110 4.873 4.812 0.061 2
1 621 . 1 1 A 76 76 TYR C C 110 173.400 175.563 -2.163 2
1 622 . 1 1 A 76 76 TYR CA C 110 54.699 56.807 -2.108 2
1 623 . 1 1 A 76 76 TYR CB C 110 40.392 39.066 1.326 2
1 626 . 1 1 A 76 76 TYR N N 110 129.091 128.711 0.380 2
1 627 . 1 1 A 77 77 ARG H H 111 9.206 9.134 0.072 2
1 628 . 1 1 A 77 77 ARG HA H 111 3.537 3.878 -0.341 2
1 633 . 1 1 A 77 77 ARG C C 111 176.065 175.559 0.506 2
1 634 . 1 1 A 77 77 ARG CA C 111 56.490 56.959 -0.469 2
1 635 . 1 1 A 77 77 ARG CB C 111 27.448 28.586 -1.138 2
1 636 . 1 1 A 77 77 ARG N N 111 126.774 125.595 1.179 2
1 637 . 1 1 A 78 78 GLY H H 112 8.155 8.352 -0.197 2
1 638 . 1 1 A 78 78 GLY HA2 H 112 4.040 3.774 0.266 2
1 639 . 1 1 A 78 78 GLY HA3 H 112 3.540 3.789 -0.249 2
1 640 . 1 1 A 78 78 GLY C C 112 173.810 173.594 0.216 2
1 641 . 1 1 A 78 78 GLY CA C 112 45.284 45.332 -0.048 2
1 642 . 1 1 A 78 78 GLY N N 112 102.172 105.211 -3.039 2
1 643 . 1 1 A 79 79 LYS HA H 113 3.910 4.481 -0.571 2
1 644 . 1 1 A 79 79 LYS C C 113 174.750 175.247 -0.497 2
1 645 . 1 1 A 79 79 LYS CA C 113 53.808 55.048 -1.240 2
1 646 . 1 1 A 79 79 LYS CB C 113 33.298 33.924 -0.626 2
1 647 . 1 1 A 80 80 ILE H H 114 8.484 8.693 -0.209 2
1 648 . 1 1 A 80 80 ILE HA H 114 3.860 4.630 -0.770 2
1 653 . 1 1 A 80 80 ILE C C 114 174.732 174.986 -0.254 2
1 654 . 1 1 A 80 80 ILE CA C 114 61.130 60.193 0.937 2
1 655 . 1 1 A 80 80 ILE CB C 114 37.740 38.540 -0.800 2
1 657 . 1 1 A 80 80 ILE N N 114 121.186 124.909 -3.723 2
1 658 . 1 1 A 81 81 VAL H H 115 9.395 8.483 0.912 2
1 659 . 1 1 A 81 81 VAL HA H 115 4.645 4.781 -0.136 2
1 664 . 1 1 A 81 81 VAL C C 115 174.934 174.002 0.932 2
1 665 . 1 1 A 81 81 VAL CA C 115 60.401 59.924 0.477 2
1 666 . 1 1 A 81 81 VAL CB C 115 32.142 35.117 -2.975 2
1 668 . 1 1 A 81 81 VAL N N 115 129.212 126.397 2.815 2
1 669 . 1 1 A 82 82 THR H H 116 8.661 8.717 -0.056 2
1 670 . 1 1 A 82 82 THR HA H 116 4.483 5.030 -0.547 2
1 673 . 1 1 A 82 82 THR C C 116 175.000 173.353 1.647 2
1 674 . 1 1 A 82 82 THR CA C 116 59.911 60.565 -0.654 2
1 675 . 1 1 A 82 82 THR CB C 116 69.844 70.793 -0.949 2
1 677 . 1 1 A 82 82 THR N N 116 120.129 119.726 0.403 2
1 678 . 1 1 A 83 83 PHE H H 117 9.153 8.745 0.408 2
1 679 . 1 1 A 83 83 PHE HA H 117 5.003 5.235 -0.232 2
1 681 . 1 1 A 83 83 PHE C C 117 177.126 173.005 4.121 2
1 682 . 1 1 A 83 83 PHE CA C 117 55.003 56.796 -1.793 2
1 683 . 1 1 A 83 83 PHE CB C 117 37.018 40.841 -3.823 2
1 684 . 1 1 A 83 83 PHE N N 117 123.251 120.986 2.265 2
1 685 . 1 1 A 84 84 ILE H H 118 8.882 8.691 0.191 2
1 686 . 1 1 A 84 84 ILE HA H 118 4.320 4.914 -0.594 2
1 695 . 1 1 A 84 84 ILE C C 118 175.958 175.029 0.929 2
1 696 . 1 1 A 84 84 ILE CA C 118 60.275 59.637 0.638 2
1 697 . 1 1 A 84 84 ILE CB C 118 37.057 40.913 -3.856 2
1 700 . 1 1 A 84 84 ILE N N 118 122.450 119.193 3.257 2
1 701 . 1 1 A 85 85 GLY H H 119 8.198 8.378 -0.180 2
1 702 . 1 1 A 85 85 GLY HA2 H 119 4.050 4.183 -0.133 2
1 703 . 1 1 A 85 85 GLY HA3 H 119 3.900 4.238 -0.338 2
1 704 . 1 1 A 85 85 GLY C C 119 172.376 171.578 0.798 2
1 705 . 1 1 A 85 85 GLY CA C 119 44.033 45.340 -1.307 2
1 706 . 1 1 A 85 85 GLY N N 119 112.995 111.942 1.053 2
1 707 . 1 1 A 86 86 ASP H H 120 8.132 8.664 -0.532 2
1 708 . 1 1 A 86 86 ASP HA H 120 4.938 5.236 -0.298 2
1 711 . 1 1 A 86 86 ASP C C 120 175.418 174.274 1.144 2
1 712 . 1 1 A 86 86 ASP CA C 120 52.656 51.044 1.612 2
1 713 . 1 1 A 86 86 ASP CB C 120 40.163 43.427 -3.264 2
1 714 . 1 1 A 86 86 ASP N N 120 119.130 119.568 -0.438 2
1 715 . 1 1 A 87 87 PRO HA H 121 4.470 4.837 -0.367 2
1 719 . 1 1 A 87 87 PRO CA C 121 175.750 62.274 113.476 2
1 720 . 1 1 A 87 87 PRO CB C 121 62.414 32.396 30.018 2
1 723 . 1 1 A 87 87 PRO N N 121 49.700 138.743 -89.043 2
1 724 . 1 1 A 88 88 VAL H H 122 8.707 8.661 0.046 2
1 725 . 1 1 A 88 88 VAL HA H 122 4.400 4.760 -0.360 2
1 733 . 1 1 A 88 88 VAL C C 122 174.250 174.395 -0.145 2
1 734 . 1 1 A 88 88 VAL CA C 122 60.598 60.070 0.528 2
1 735 . 1 1 A 88 88 VAL CB C 122 34.847 35.272 -0.425 2
1 738 . 1 1 A 88 88 VAL N N 122 121.987 120.461 1.526 2
1 739 . 1 1 A 89 89 ASP H H 123 8.437 8.616 -0.179 2
1 740 . 1 1 A 89 89 ASP HA H 123 5.068 5.100 -0.032 2
1 743 . 1 1 A 89 89 ASP C C 123 177.435 176.288 1.147 2
1 744 . 1 1 A 89 89 ASP CA C 123 52.751 52.945 -0.194 2
1 745 . 1 1 A 89 89 ASP CB C 123 40.191 41.901 -1.710 2
1 746 . 1 1 A 89 89 ASP N N 123 125.856 125.776 0.080 2
1 747 . 1 1 A 90 90 LEU H H 124 8.793 8.926 -0.133 2
1 748 . 1 1 A 90 90 LEU HA H 124 4.047 4.381 -0.334 2
1 749 . 1 1 A 90 90 LEU CA C 124 56.836 56.090 0.746 2
1 750 . 1 1 A 90 90 LEU CB C 124 41.301 42.749 -1.448 2
1 751 . 1 1 A 90 90 LEU N N 124 128.178 124.858 3.320 2
1 752 . 1 1 A 91 91 SER H H 125 8.927 7.911 1.016 2
1 753 . 1 1 A 91 91 SER HA H 125 4.287 4.557 -0.270 2
1 754 . 1 1 A 91 91 SER C C 125 173.984 174.316 -0.332 2
1 755 . 1 1 A 91 91 SER CA C 125 58.498 58.819 -0.321 2
1 756 . 1 1 A 91 91 SER CB C 125 63.600 63.443 0.157 2
1 757 . 1 1 A 91 91 SER N N 125 115.226 113.292 1.934 2
1 758 . 1 1 A 92 92 GLY H H 126 8.250 8.340 -0.090 2
1 759 . 1 1 A 92 92 GLY HA2 H 126 3.950 3.974 -0.024 2
1 760 . 1 1 A 92 92 GLY HA3 H 126 3.670 4.021 -0.351 2
1 761 . 1 1 A 92 92 GLY C C 126 174.700 174.175 0.525 2
1 762 . 1 1 A 92 92 GLY CA C 126 45.900 45.709 0.191 2
1 763 . 1 1 A 92 92 GLY N N 126 109.395 110.685 -1.290 2
1 764 . 1 1 A 94 94 GLN C C 128 174.459 174.981 -0.522 2
1 765 . 1 1 A 94 94 GLN CA C 128 56.434 55.637 0.797 2
1 766 . 1 1 A 94 94 GLN CB C 128 25.491 29.102 -3.611 2
1 767 . 1 1 A 95 95 GLU H H 129 8.474 8.251 0.223 2
1 768 . 1 1 A 95 95 GLU HA H 129 4.596 4.212 0.384 2
1 772 . 1 1 A 95 95 GLU C C 129 177.559 175.172 2.387 2
1 773 . 1 1 A 95 95 GLU CA C 129 57.183 56.797 0.386 2
1 774 . 1 1 A 95 95 GLU CB C 129 31.432 28.802 2.630 2
1 775 . 1 1 A 95 95 GLU N N 129 115.145 119.430 -4.285 2
1 776 . 1 1 A 96 96 ILE H H 130 9.393 8.010 1.383 2
1 777 . 1 1 A 96 96 ILE HA H 130 4.660 4.909 -0.249 2
1 782 . 1 1 A 96 96 ILE C C 130 173.821 174.766 -0.945 2
1 783 . 1 1 A 96 96 ILE CA C 130 59.481 59.950 -0.469 2
1 784 . 1 1 A 96 96 ILE CB C 130 41.386 40.421 0.965 2
1 785 . 1 1 A 96 96 ILE N N 130 124.603 120.260 4.343 2
1 786 . 1 1 A 97 97 THR H H 131 9.341 8.859 0.482 2
1 787 . 1 1 A 97 97 THR HA H 131 5.135 5.173 -0.038 2
1 790 . 1 1 A 97 97 THR C C 131 172.742 173.281 -0.539 2
1 791 . 1 1 A 97 97 THR CA C 131 62.458 61.015 1.443 2
1 792 . 1 1 A 97 97 THR CB C 131 69.995 70.523 -0.528 2
1 794 . 1 1 A 97 97 THR N N 131 125.280 121.584 3.696 2
1 795 . 1 1 A 98 98 ARG H H 132 9.286 9.062 0.224 2
1 796 . 1 1 A 98 98 ARG HA H 132 5.263 5.192 0.071 2
1 802 . 1 1 A 98 98 ARG C C 132 175.462 174.368 1.094 2
1 803 . 1 1 A 98 98 ARG CA C 132 53.122 54.554 -1.432 2
1 804 . 1 1 A 98 98 ARG CB C 132 32.555 33.506 -0.951 2
1 805 . 1 1 A 98 98 ARG N N 132 126.525 125.623 0.902 2
1 806 . 1 1 A 99 99 ILE H H 133 9.338 8.988 0.350 2
1 807 . 1 1 A 99 99 ILE HA H 133 3.959 4.979 -1.020 2
1 816 . 1 1 A 99 99 ILE C C 133 173.860 174.079 -0.219 2
1 817 . 1 1 A 99 99 ILE CA C 133 59.719 59.473 0.246 2
1 818 . 1 1 A 99 99 ILE CB C 133 41.429 41.436 -0.007 2
1 821 . 1 1 A 99 99 ILE N N 133 129.483 124.842 4.641 2
1 822 . 1 1 A 100 100 LYS H H 134 8.457 8.879 -0.422 2
1 823 . 1 1 A 100 100 LYS HA H 134 4.990 5.197 -0.207 2
1 824 . 1 1 A 100 100 LYS C C 134 175.750 175.313 0.437 2
1 825 . 1 1 A 100 100 LYS CA C 134 54.548 54.598 -0.050 2
1 826 . 1 1 A 100 100 LYS CB C 134 32.800 35.317 -2.517 2
1 827 . 1 1 A 100 100 LYS N N 134 128.506 127.593 0.913 2
1 828 . 1 1 A 101 101 GLY H H 135 8.968 8.591 0.377 2
1 829 . 1 1 A 101 101 GLY HA2 H 135 5.350 4.392 0.958 2
1 830 . 1 1 A 101 101 GLY HA3 H 135 3.290 4.440 -1.150 2
1 831 . 1 1 A 101 101 GLY C C 135 171.558 172.249 -0.691 2
1 832 . 1 1 A 101 101 GLY CA C 135 44.286 44.763 -0.477 2
1 833 . 1 1 A 101 101 GLY N N 135 110.167 111.409 -1.242 2
1 834 . 1 1 A 102 102 LYS H H 136 9.158 8.877 0.281 2
1 835 . 1 1 A 102 102 LYS C C 136 174.516 174.523 -0.007 2
1 836 . 1 1 A 102 102 LYS CA C 136 53.781 54.575 -0.794 2
1 837 . 1 1 A 102 102 LYS CB C 136 34.807 36.553 -1.746 2
1 838 . 1 1 A 102 102 LYS N N 136 119.838 120.131 -0.293 2
1 839 . 1 1 A 103 103 GLU H H 137 8.711 9.089 -0.378 2
1 840 . 1 1 A 103 103 GLU HA H 137 4.709 5.043 -0.334 2
1 841 . 1 1 A 103 103 GLU C C 137 176.875 175.196 1.679 2
1 842 . 1 1 A 103 103 GLU CA C 137 56.833 55.094 1.739 2
1 843 . 1 1 A 103 103 GLU CB C 137 30.640 32.069 -1.429 2
1 844 . 1 1 A 103 103 GLU N N 137 124.293 121.866 2.427 2
1 845 . 1 1 A 104 104 ASP H H 138 9.334 8.933 0.401 2
1 846 . 1 1 A 104 104 ASP HA H 138 4.954 4.886 0.068 2
1 849 . 1 1 A 104 104 ASP C C 138 175.340 175.631 -0.291 2
1 850 . 1 1 A 104 104 ASP CA C 138 53.107 53.880 -0.773 2
1 851 . 1 1 A 104 104 ASP CB C 138 42.374 41.771 0.603 2
1 852 . 1 1 A 104 104 ASP N N 138 127.542 124.610 2.932 2
1 853 . 1 1 A 105 105 GLY H H 139 7.732 8.308 -0.576 2
1 854 . 1 1 A 105 105 GLY HA2 H 139 4.360 4.031 0.329 2
1 855 . 1 1 A 105 105 GLY HA3 H 139 3.800 4.067 -0.267 2
1 856 . 1 1 A 105 105 GLY C C 139 172.374 173.391 -1.016 2
1 857 . 1 1 A 105 105 GLY CA C 139 43.800 45.830 -2.030 2
1 858 . 1 1 A 105 105 GLY N N 139 106.466 108.971 -2.505 2
1 859 . 1 1 A 106 106 ALA H H 140 8.191 8.113 0.078 2
1 860 . 1 1 A 106 106 ALA HA H 140 4.564 4.488 0.076 2
1 864 . 1 1 A 106 106 ALA C C 140 177.004 176.178 0.826 2
1 865 . 1 1 A 106 106 ALA CA C 140 51.406 51.982 -0.576 2
1 866 . 1 1 A 106 106 ALA CB C 140 19.500 19.921 -0.421 2
1 867 . 1 1 A 106 106 ALA N N 140 120.674 122.806 -2.132 2
1 868 . 1 1 A 107 107 TYR H H 141 8.458 8.220 0.238 2
1 869 . 1 1 A 107 107 TYR HA H 141 4.578 4.724 -0.146 2
1 873 . 1 1 A 107 107 TYR C C 141 174.746 175.101 -0.355 2
1 874 . 1 1 A 107 107 TYR CA C 141 56.554 58.007 -1.453 2
1 875 . 1 1 A 107 107 TYR CB C 141 38.649 39.172 -0.523 2
1 878 . 1 1 A 107 107 TYR N N 141 121.312 119.015 2.297 2
1 879 . 1 1 A 108 108 VAL H H 142 7.941 7.945 -0.004 2
1 880 . 1 1 A 108 108 VAL HA H 142 4.008 4.301 -0.292 2
1 888 . 1 1 A 108 108 VAL C C 142 174.701 175.586 -0.885 2
1 889 . 1 1 A 108 108 VAL CA C 142 60.912 61.942 -1.030 2
1 890 . 1 1 A 108 108 VAL CB C 142 32.065 32.096 -0.031 2
1 893 . 1 1 A 108 108 VAL N N 142 125.257 120.476 4.781 2
stop_
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