data_15139_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15139
_Entry.PDB_ID 2JO6
_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 10 . 1 1 1 A 5 5 SER H H 2 8.360 8.916 -0.556 1
1 11 . 1 1 1 A 5 5 SER HA H 2 4.400 5.027 -0.627 1
1 14 . 1 1 1 A 5 5 SER C C 2 174.100 172.730 1.370 1
1 15 . 1 1 1 A 5 5 SER CA C 2 58.200 57.640 0.560 1
1 16 . 1 1 1 A 5 5 SER CB C 2 63.700 65.550 -1.850 1
1 17 . 1 1 1 A 5 5 SER N N 2 117.000 122.280 -5.280 1
1 18 . 1 1 1 A 6 6 GLN H H 3 8.280 8.535 -0.255 1
1 19 . 1 1 1 A 6 6 GLN HA H 3 4.320 4.886 -0.566 1
1 26 . 1 1 1 A 6 6 GLN C C 3 175.500 174.249 1.251 1
1 27 . 1 1 1 A 6 6 GLN CA C 3 55.400 54.830 0.570 1
1 28 . 1 1 1 A 6 6 GLN CB C 3 30.100 29.040 1.060 1
1 31 . 1 1 1 A 6 6 GLN N N 3 121.800 123.351 -1.551 1
1 33 . 1 1 1 A 7 7 TRP H H 4 8.170 8.807 -0.637 1
1 34 . 1 1 1 A 7 7 TRP HA H 4 4.470 5.183 -0.713 1
1 43 . 1 1 1 A 7 7 TRP C C 4 176.200 175.645 0.555 1
1 44 . 1 1 1 A 7 7 TRP CA C 4 57.600 56.974 0.626 1
1 45 . 1 1 1 A 7 7 TRP CB C 4 30.300 28.385 1.915 1
1 51 . 1 1 1 A 7 7 TRP N N 4 122.300 126.778 -4.478 1
1 53 . 1 1 1 A 8 8 LYS H H 5 9.370 8.582 0.788 1
1 54 . 1 1 1 A 8 8 LYS HA H 5 4.690 4.633 0.057 1
1 63 . 1 1 1 A 8 8 LYS C C 5 175.600 176.285 -0.685 1
1 64 . 1 1 1 A 8 8 LYS CA C 5 54.200 56.029 -1.829 1
1 65 . 1 1 1 A 8 8 LYS CB C 5 34.700 33.523 1.177 1
1 69 . 1 1 1 A 8 8 LYS N N 5 125.100 126.493 -1.393 1
1 70 . 1 1 1 A 9 9 ASP H H 6 8.730 8.787 -0.057 1
1 71 . 1 1 1 A 9 9 ASP HA H 6 4.500 4.655 -0.155 1
1 74 . 1 1 1 A 9 9 ASP C C 6 176.200 175.857 0.343 1
1 75 . 1 1 1 A 9 9 ASP CA C 6 55.400 54.768 0.632 1
1 76 . 1 1 1 A 9 9 ASP CB C 6 40.700 41.239 -0.539 1
1 77 . 1 1 1 A 9 9 ASP N N 6 125.400 126.701 -1.301 1
1 78 . 1 1 1 A 10 10 ILE H H 7 9.300 9.250 0.050 1
1 79 . 1 1 1 A 10 10 ILE HA H 7 4.300 4.113 0.187 1
1 89 . 1 1 1 A 10 10 ILE C C 7 175.500 176.081 -0.581 1
1 90 . 1 1 1 A 10 10 ILE CA C 7 60.000 62.784 -2.784 1
1 91 . 1 1 1 A 10 10 ILE CB C 7 37.700 38.122 -0.422 1
1 95 . 1 1 1 A 10 10 ILE N N 7 122.900 124.247 -1.347 1
1 96 . 1 1 1 A 11 11 CYS H H 8 7.510 7.667 -0.157 1
1 97 . 1 1 1 A 11 11 CYS HA H 8 4.880 4.668 0.212 1
1 100 . 1 1 1 A 11 11 CYS C C 8 172.300 172.554 -0.254 1
1 101 . 1 1 1 A 11 11 CYS CA C 8 55.700 57.596 -1.896 1
1 102 . 1 1 1 A 11 11 CYS CB C 8 28.800 30.095 -1.295 1
1 103 . 1 1 1 A 11 11 CYS N N 8 111.400 115.727 -4.327 1
1 104 . 1 1 1 A 12 12 LYS H H 9 8.920 8.670 0.250 1
1 105 . 1 1 1 A 12 12 LYS HA H 9 4.880 4.509 0.371 1
1 114 . 1 1 1 A 12 12 LYS C C 9 179.400 177.807 1.593 1
1 115 . 1 1 1 A 12 12 LYS CA C 9 55.700 56.574 -0.874 1
1 116 . 1 1 1 A 12 12 LYS CB C 9 32.100 32.633 -0.533 1
1 120 . 1 1 1 A 12 12 LYS N N 9 120.100 119.702 0.398 1
1 121 . 1 1 1 A 13 13 ILE H H 10 8.640 9.040 -0.400 1
1 122 . 1 1 1 A 13 13 ILE HA H 10 3.990 3.982 0.008 1
1 132 . 1 1 1 A 13 13 ILE C C 10 174.900 176.811 -1.911 1
1 133 . 1 1 1 A 13 13 ILE CA C 10 61.000 63.328 -2.328 1
1 134 . 1 1 1 A 13 13 ILE CB C 10 37.800 38.160 -0.360 1
1 138 . 1 1 1 A 13 13 ILE N N 10 123.700 125.412 -1.712 1
1 139 . 1 1 1 A 14 14 ASP H H 11 7.600 8.278 -0.678 1
1 140 . 1 1 1 A 14 14 ASP HA H 11 4.350 4.343 0.007 1
1 143 . 1 1 1 A 14 14 ASP C C 11 176.500 177.813 -1.313 1
1 144 . 1 1 1 A 14 14 ASP CA C 11 55.400 57.213 -1.813 1
1 145 . 1 1 1 A 14 14 ASP CB C 11 40.400 41.396 -0.996 1
1 146 . 1 1 1 A 14 14 ASP N N 11 115.800 121.701 -5.901 1
1 147 . 1 1 1 A 15 15 ASP H H 12 7.600 8.009 -0.409 1
1 148 . 1 1 1 A 15 15 ASP HA H 12 4.490 4.411 0.079 1
1 151 . 1 1 1 A 15 15 ASP C C 12 175.600 176.111 -0.511 1
1 152 . 1 1 1 A 15 15 ASP CA C 12 55.500 55.961 -0.461 1
1 153 . 1 1 1 A 15 15 ASP CB C 12 40.900 40.867 0.033 1
1 154 . 1 1 1 A 15 15 ASP N N 12 116.800 117.942 -1.142 1
1 155 . 1 1 1 A 16 16 ILE H H 13 7.700 7.701 -0.001 1
1 156 . 1 1 1 A 16 16 ILE HA H 13 4.000 4.180 -0.180 1
1 166 . 1 1 1 A 16 16 ILE C C 13 174.100 175.102 -1.002 1
1 167 . 1 1 1 A 16 16 ILE CA C 13 60.500 60.634 -0.134 1
1 168 . 1 1 1 A 16 16 ILE CB C 13 38.200 37.667 0.533 1
1 172 . 1 1 1 A 16 16 ILE N N 13 120.900 120.715 0.185 1
1 173 . 1 1 1 A 17 17 LEU H H 14 7.970 8.612 -0.642 1
1 174 . 1 1 1 A 17 17 LEU HA H 14 4.370 4.435 -0.065 1
1 184 . 1 1 1 A 17 17 LEU CA C 14 53.800 53.824 -0.024 1
1 185 . 1 1 1 A 17 17 LEU CB C 14 40.500 40.814 -0.314 1
1 189 . 1 1 1 A 17 17 LEU N N 14 127.800 129.645 -1.845 1
1 190 . 1 1 1 A 18 18 PRO HA H 15 4.080 4.140 -0.060 1
1 197 . 1 1 1 A 18 18 PRO C C 15 175.700 177.044 -1.344 1
1 198 . 1 1 1 A 18 18 PRO CA C 15 64.300 63.461 0.839 1
1 199 . 1 1 1 A 18 18 PRO CB C 15 31.600 31.436 0.164 1
1 202 . 1 1 1 A 19 19 GLU H H 16 8.930 8.538 0.392 1
1 203 . 1 1 1 A 19 19 GLU HA H 16 3.660 5.034 -1.374 1
1 208 . 1 1 1 A 19 19 GLU C C 16 175.500 175.347 0.153 1
1 209 . 1 1 1 A 19 19 GLU CA C 16 58.300 57.180 1.120 1
1 210 . 1 1 1 A 19 19 GLU CB C 16 27.300 27.336 -0.036 1
1 212 . 1 1 1 A 19 19 GLU N N 16 113.700 122.825 -9.125 1
1 213 . 1 1 1 A 20 20 THR H H 17 7.790 7.523 0.267 1
1 214 . 1 1 1 A 20 20 THR HA H 17 5.080 5.068 0.012 1
1 220 . 1 1 1 A 20 20 THR C C 17 172.100 173.025 -0.925 1
1 221 . 1 1 1 A 20 20 THR CA C 17 60.700 60.555 0.145 1
1 222 . 1 1 1 A 20 20 THR CB C 17 73.100 72.963 0.137 1
1 224 . 1 1 1 A 20 20 THR N N 17 110.000 114.418 -4.418 1
1 225 . 1 1 1 A 21 21 GLY H H 18 8.080 8.576 -0.496 1
1 226 . 1 1 1 A 21 21 GLY HA2 H 18 3.070 4.157 -1.087 1
1 227 . 1 1 1 A 21 21 GLY HA3 H 18 5.270 4.162 1.108 1
1 228 . 1 1 1 A 21 21 GLY C C 18 173.400 171.581 1.819 1
1 229 . 1 1 1 A 21 21 GLY CA C 18 44.600 44.136 0.464 1
1 230 . 1 1 1 A 21 21 GLY N N 18 103.700 112.117 -8.417 1
1 231 . 1 1 1 A 22 22 VAL H H 19 8.520 8.892 -0.372 1
1 232 . 1 1 1 A 22 22 VAL HA H 19 4.570 4.985 -0.415 1
1 240 . 1 1 1 A 22 22 VAL C C 19 172.900 173.559 -0.659 1
1 241 . 1 1 1 A 22 22 VAL CA C 19 58.900 58.694 0.206 1
1 242 . 1 1 1 A 22 22 VAL CB C 19 35.900 35.425 0.475 1
1 245 . 1 1 1 A 22 22 VAL N N 19 112.900 117.289 -4.389 1
1 246 . 1 1 1 A 23 23 CYS H H 20 8.290 8.818 -0.528 1
1 247 . 1 1 1 A 23 23 CYS HA H 20 5.250 5.300 -0.050 1
1 250 . 1 1 1 A 23 23 CYS C C 20 173.500 174.099 -0.599 1
1 251 . 1 1 1 A 23 23 CYS CA C 20 56.300 57.208 -0.908 1
1 252 . 1 1 1 A 23 23 CYS CB C 20 27.600 30.084 -2.484 1
1 253 . 1 1 1 A 23 23 CYS N N 20 120.700 121.647 -0.947 1
1 254 . 1 1 1 A 24 24 ALA H H 21 9.590 9.656 -0.066 1
1 255 . 1 1 1 A 24 24 ALA HA H 21 4.580 5.150 -0.570 1
1 259 . 1 1 1 A 24 24 ALA C C 21 174.400 175.664 -1.264 1
1 260 . 1 1 1 A 24 24 ALA CA C 21 50.200 50.292 -0.092 1
1 261 . 1 1 1 A 24 24 ALA CB C 21 23.400 23.329 0.071 1
1 262 . 1 1 1 A 24 24 ALA N N 21 132.500 127.749 4.751 1
1 263 . 1 1 1 A 25 25 LEU H H 22 8.100 8.805 -0.705 1
1 264 . 1 1 1 A 25 25 LEU HA H 22 4.860 4.971 -0.111 1
1 274 . 1 1 1 A 25 25 LEU C C 22 175.800 174.778 1.022 1
1 275 . 1 1 1 A 25 25 LEU CA C 22 53.800 53.462 0.338 1
1 276 . 1 1 1 A 25 25 LEU CB C 22 43.600 44.213 -0.613 1
1 280 . 1 1 1 A 25 25 LEU N N 22 120.700 117.851 2.849 1
1 281 . 1 1 1 A 26 26 LEU H H 23 8.660 8.875 -0.215 1
1 282 . 1 1 1 A 26 26 LEU HA H 23 4.410 4.565 -0.155 1
1 292 . 1 1 1 A 26 26 LEU C C 23 176.600 176.772 -0.172 1
1 293 . 1 1 1 A 26 26 LEU CA C 23 53.100 53.292 -0.192 1
1 294 . 1 1 1 A 26 26 LEU CB C 23 43.400 42.816 0.584 1
1 298 . 1 1 1 A 26 26 LEU N N 23 125.800 125.706 0.094 1
1 299 . 1 1 1 A 27 27 GLY H H 24 8.910 8.871 0.039 1
1 300 . 1 1 1 A 27 27 GLY HA2 H 24 3.560 3.822 -0.262 1
1 301 . 1 1 1 A 27 27 GLY HA3 H 24 4.000 3.823 0.177 1
1 302 . 1 1 1 A 27 27 GLY C C 24 173.800 174.327 -0.527 1
1 303 . 1 1 1 A 27 27 GLY CA C 24 47.300 47.334 -0.034 1
1 304 . 1 1 1 A 27 27 GLY N N 24 118.300 115.462 2.838 1
1 305 . 1 1 1 A 28 28 ASP H H 25 8.800 8.699 0.101 1
1 306 . 1 1 1 A 28 28 ASP HA H 25 4.690 4.667 0.023 1
1 309 . 1 1 1 A 28 28 ASP C C 25 176.100 175.351 0.749 1
1 310 . 1 1 1 A 28 28 ASP CA C 25 53.900 53.813 0.087 1
1 311 . 1 1 1 A 28 28 ASP CB C 25 41.300 41.610 -0.310 1
1 312 . 1 1 1 A 28 28 ASP N N 25 126.600 126.060 0.540 1
1 313 . 1 1 1 A 29 29 GLU H H 26 8.100 7.628 0.472 1
1 314 . 1 1 1 A 29 29 GLU HA H 26 4.440 4.525 -0.085 1
1 319 . 1 1 1 A 29 29 GLU C C 26 174.800 175.260 -0.460 1
1 320 . 1 1 1 A 29 29 GLU CA C 26 55.800 56.163 -0.363 1
1 321 . 1 1 1 A 29 29 GLU CB C 26 30.600 30.370 0.230 1
1 323 . 1 1 1 A 29 29 GLU N N 26 120.400 119.853 0.547 1
1 324 . 1 1 1 A 30 30 GLN H H 27 8.640 8.683 -0.043 1
1 325 . 1 1 1 A 30 30 GLN HA H 27 4.510 4.695 -0.185 1
1 332 . 1 1 1 A 30 30 GLN C C 27 175.800 174.460 1.340 1
1 333 . 1 1 1 A 30 30 GLN CA C 27 55.700 55.654 0.046 1
1 334 . 1 1 1 A 30 30 GLN CB C 27 29.300 29.183 0.117 1
1 336 . 1 1 1 A 30 30 GLN N N 27 121.300 124.316 -3.016 1
1 338 . 1 1 1 A 31 31 VAL H H 28 9.280 8.605 0.675 1
1 339 . 1 1 1 A 31 31 VAL HA H 28 4.040 4.468 -0.428 1
1 347 . 1 1 1 A 31 31 VAL C C 28 172.900 174.670 -1.770 1
1 348 . 1 1 1 A 31 31 VAL CA C 28 61.900 61.110 0.790 1
1 349 . 1 1 1 A 31 31 VAL CB C 28 34.800 33.242 1.558 1
1 352 . 1 1 1 A 31 31 VAL N N 28 128.600 125.752 2.848 1
1 353 . 1 1 1 A 32 32 ALA H H 29 9.440 9.365 0.075 1
1 354 . 1 1 1 A 32 32 ALA HA H 29 4.680 4.723 -0.043 1
1 358 . 1 1 1 A 32 32 ALA C C 29 175.200 175.593 -0.393 1
1 359 . 1 1 1 A 32 32 ALA CA C 29 50.500 50.512 -0.012 1
1 360 . 1 1 1 A 32 32 ALA CB C 29 20.200 20.102 0.098 1
1 361 . 1 1 1 A 32 32 ALA N N 29 130.400 128.939 1.461 1
1 362 . 1 1 1 A 33 33 ILE H H 30 8.590 9.156 -0.566 1
1 363 . 1 1 1 A 33 33 ILE HA H 30 4.680 4.681 -0.001 1
1 373 . 1 1 1 A 33 33 ILE C C 30 174.800 174.854 -0.054 1
1 374 . 1 1 1 A 33 33 ILE CA C 30 59.900 60.090 -0.190 1
1 375 . 1 1 1 A 33 33 ILE CB C 30 39.300 37.828 1.472 1
1 379 . 1 1 1 A 33 33 ILE N N 30 120.600 123.731 -3.131 1
1 380 . 1 1 1 A 34 34 PHE H H 31 9.430 9.393 0.037 1
1 381 . 1 1 1 A 34 34 PHE HA H 31 5.070 5.170 -0.100 1
1 386 . 1 1 1 A 34 34 PHE C C 31 174.800 174.722 0.078 1
1 387 . 1 1 1 A 34 34 PHE CA C 31 57.200 57.014 0.186 1
1 388 . 1 1 1 A 34 34 PHE CB C 31 43.400 40.516 2.884 1
1 391 . 1 1 1 A 34 34 PHE N N 31 121.800 127.059 -5.259 1
1 392 . 1 1 1 A 35 35 ARG H H 32 8.450 8.927 -0.477 1
1 393 . 1 1 1 A 35 35 ARG HA H 32 5.470 4.810 0.660 1
1 403 . 1 1 1 A 35 35 ARG CA C 32 52.000 52.581 -0.581 1
1 404 . 1 1 1 A 35 35 ARG CB C 32 33.200 31.364 1.836 1
1 407 . 1 1 1 A 35 35 ARG N N 32 123.000 125.214 -2.214 1
1 410 . 1 1 1 A 36 36 PRO HA H 33 3.910 4.546 -0.636 1
1 417 . 1 1 1 A 36 36 PRO C C 33 174.300 175.353 -1.053 1
1 418 . 1 1 1 A 36 36 PRO CA C 33 64.600 63.807 0.793 1
1 419 . 1 1 1 A 36 36 PRO CB C 33 32.800 32.367 0.433 1
1 422 . 1 1 1 A 37 37 TYR H H 34 9.000 7.692 1.308 1
1 423 . 1 1 1 A 37 37 TYR HA H 34 5.250 5.199 0.051 1
1 430 . 1 1 1 A 37 37 TYR C C 34 175.000 175.605 -0.605 1
1 431 . 1 1 1 A 37 37 TYR CA C 34 54.200 56.712 -2.512 1
1 432 . 1 1 1 A 37 37 TYR CB C 34 41.000 43.142 -2.142 1
1 437 . 1 1 1 A 37 37 TYR N N 34 115.500 119.122 -3.622 1
1 438 . 1 1 1 A 38 38 HIS H H 35 8.700 8.948 -0.248 1
1 439 . 1 1 1 A 38 38 HIS HA H 35 4.490 4.777 -0.287 1
1 444 . 1 1 1 A 38 38 HIS C C 35 175.800 175.235 0.565 1
1 445 . 1 1 1 A 38 38 HIS CA C 35 56.400 56.876 -0.476 1
1 446 . 1 1 1 A 38 38 HIS CB C 35 28.600 31.033 -2.433 1
1 449 . 1 1 1 A 38 38 HIS N N 35 119.000 118.530 0.470 1
1 450 . 1 1 1 A 39 39 SER H H 36 7.890 7.709 0.181 1
1 451 . 1 1 1 A 39 39 SER HA H 36 4.770 4.534 0.236 1
1 454 . 1 1 1 A 39 39 SER C C 36 173.800 175.157 -1.357 1
1 455 . 1 1 1 A 39 39 SER CA C 36 57.000 57.802 -0.802 1
1 456 . 1 1 1 A 39 39 SER CB C 36 64.700 64.553 0.147 1
1 457 . 1 1 1 A 39 39 SER N N 36 115.500 114.174 1.326 1
1 458 . 1 1 1 A 40 40 ASP H H 37 8.540 8.605 -0.065 1
1 459 . 1 1 1 A 40 40 ASP HA H 37 4.540 4.666 -0.126 1
1 462 . 1 1 1 A 40 40 ASP C C 37 174.700 176.191 -1.491 1
1 463 . 1 1 1 A 40 40 ASP CA C 37 53.800 53.848 -0.048 1
1 464 . 1 1 1 A 40 40 ASP CB C 37 39.600 39.660 -0.060 1
1 465 . 1 1 1 A 40 40 ASP N N 37 119.400 121.535 -2.135 1
1 466 . 1 1 1 A 41 41 GLN H H 38 7.490 7.669 -0.179 1
1 467 . 1 1 1 A 41 41 GLN HA H 38 4.140 4.442 -0.302 1
1 474 . 1 1 1 A 41 41 GLN C C 38 175.500 175.516 -0.016 1
1 475 . 1 1 1 A 41 41 GLN CA C 38 57.100 55.651 1.449 1
1 476 . 1 1 1 A 41 41 GLN CB C 38 29.400 29.540 -0.140 1
1 479 . 1 1 1 A 41 41 GLN N N 38 118.700 119.598 -0.898 1
1 481 . 1 1 1 A 42 42 VAL H H 39 7.800 8.655 -0.855 1
1 482 . 1 1 1 A 42 42 VAL HA H 39 5.600 5.046 0.554 1
1 490 . 1 1 1 A 42 42 VAL C C 39 174.200 174.250 -0.050 1
1 491 . 1 1 1 A 42 42 VAL CA C 39 58.200 59.255 -1.055 1
1 492 . 1 1 1 A 42 42 VAL CB C 39 36.500 35.735 0.765 1
1 495 . 1 1 1 A 42 42 VAL N N 39 116.100 117.736 -1.636 1
1 496 . 1 1 1 A 43 43 PHE H H 40 8.480 9.523 -1.043 1
1 497 . 1 1 1 A 43 43 PHE HA H 40 4.870 5.362 -0.492 1
1 504 . 1 1 1 A 43 43 PHE C C 40 173.900 174.436 -0.536 1
1 505 . 1 1 1 A 43 43 PHE CA C 40 56.800 56.221 0.579 1
1 506 . 1 1 1 A 43 43 PHE CB C 40 45.300 44.021 1.279 1
1 511 . 1 1 1 A 43 43 PHE N N 40 117.200 121.185 -3.985 1
1 512 . 1 1 1 A 44 44 ALA H H 41 9.520 9.034 0.486 1
1 513 . 1 1 1 A 44 44 ALA HA H 41 6.200 5.643 0.557 1
1 517 . 1 1 1 A 44 44 ALA C C 41 176.300 176.152 0.148 1
1 518 . 1 1 1 A 44 44 ALA CA C 41 50.900 50.987 -0.087 1
1 519 . 1 1 1 A 44 44 ALA CB C 41 24.100 22.158 1.942 1
1 520 . 1 1 1 A 44 44 ALA N N 41 125.100 123.021 2.079 1
1 521 . 1 1 1 A 45 45 ILE H H 42 8.970 8.951 0.019 1
1 522 . 1 1 1 A 45 45 ILE HA H 42 5.580 5.329 0.251 1
1 532 . 1 1 1 A 45 45 ILE C C 42 174.600 174.796 -0.196 1
1 533 . 1 1 1 A 45 45 ILE CA C 42 59.300 58.994 0.306 1
1 534 . 1 1 1 A 45 45 ILE CB C 42 44.300 41.937 2.363 1
1 538 . 1 1 1 A 45 45 ILE N N 42 117.100 118.101 -1.001 1
1 539 . 1 1 1 A 46 46 SER H H 43 8.460 8.615 -0.155 1
1 540 . 1 1 1 A 46 46 SER HA H 43 4.350 4.649 -0.299 1
1 543 . 1 1 1 A 46 46 SER C C 43 172.100 175.945 -3.845 1
1 544 . 1 1 1 A 46 46 SER CA C 43 59.500 58.799 0.701 1
1 545 . 1 1 1 A 46 46 SER CB C 43 64.900 63.679 1.221 1
1 546 . 1 1 1 A 46 46 SER N N 43 112.400 118.562 -6.162 1
1 547 . 1 1 1 A 47 47 ASN H H 44 7.990 9.194 -1.204 1
1 548 . 1 1 1 A 47 47 ASN HA H 44 4.940 4.707 0.233 1
1 553 . 1 1 1 A 47 47 ASN C C 44 175.800 174.864 0.936 1
1 554 . 1 1 1 A 47 47 ASN CA C 44 53.800 54.182 -0.382 1
1 555 . 1 1 1 A 47 47 ASN CB C 44 40.600 39.532 1.068 1
1 556 . 1 1 1 A 47 47 ASN N N 44 117.800 124.307 -6.507 1
1 558 . 1 1 1 A 48 48 ILE H H 45 8.190 7.347 0.843 1
1 559 . 1 1 1 A 48 48 ILE HA H 45 4.100 4.980 -0.880 1
1 569 . 1 1 1 A 48 48 ILE C C 45 175.200 174.915 0.285 1
1 570 . 1 1 1 A 48 48 ILE CA C 45 59.400 59.736 -0.336 1
1 571 . 1 1 1 A 48 48 ILE CB C 45 36.500 41.398 -4.898 1
1 575 . 1 1 1 A 48 48 ILE N N 45 118.300 119.355 -1.055 1
1 576 . 1 1 1 A 49 49 ASP H H 46 8.720 8.769 -0.049 1
1 577 . 1 1 1 A 49 49 ASP HA H 46 4.530 5.184 -0.654 1
1 580 . 1 1 1 A 49 49 ASP CA C 46 51.400 52.164 -0.764 1
1 581 . 1 1 1 A 49 49 ASP CB C 46 42.900 41.807 1.093 1
1 582 . 1 1 1 A 49 49 ASP N N 46 128.600 126.739 1.861 1
1 583 . 1 1 1 A 50 50 PRO HA H 47 4.500 4.578 -0.078 1
1 590 . 1 1 1 A 50 50 PRO C C 47 177.800 177.714 0.086 1
1 591 . 1 1 1 A 50 50 PRO CA C 47 63.700 63.801 -0.101 1
1 592 . 1 1 1 A 50 50 PRO CB C 47 32.200 32.668 -0.468 1
1 595 . 1 1 1 A 51 51 PHE H H 48 9.270 7.750 1.520 1
1 596 . 1 1 1 A 51 51 PHE HA H 48 3.980 4.205 -0.225 1
1 601 . 1 1 1 A 51 51 PHE C C 48 177.100 177.926 -0.826 1
1 602 . 1 1 1 A 51 51 PHE CA C 48 61.400 61.742 -0.342 1
1 603 . 1 1 1 A 51 51 PHE CB C 48 37.900 39.697 -1.797 1
1 606 . 1 1 1 A 51 51 PHE N N 48 121.800 119.087 2.713 1
1 607 . 1 1 1 A 52 52 PHE H H 49 7.440 8.894 -1.454 1
1 608 . 1 1 1 A 52 52 PHE HA H 49 4.560 4.376 0.184 1
1 616 . 1 1 1 A 52 52 PHE C C 49 176.100 175.457 0.643 1
1 617 . 1 1 1 A 52 52 PHE CA C 49 58.300 60.206 -1.906 1
1 618 . 1 1 1 A 52 52 PHE CB C 49 42.000 40.461 1.539 1
1 624 . 1 1 1 A 52 52 PHE N N 49 114.500 119.895 -5.395 1
1 625 . 1 1 1 A 53 53 GLU H H 50 8.590 8.440 0.150 1
1 626 . 1 1 1 A 53 53 GLU HA H 50 3.780 4.453 -0.673 1
1 631 . 1 1 1 A 53 53 GLU C C 50 175.000 175.185 -0.185 1
1 632 . 1 1 1 A 53 53 GLU CA C 50 57.300 57.312 -0.012 1
1 633 . 1 1 1 A 53 53 GLU CB C 50 27.100 28.036 -0.936 1
1 635 . 1 1 1 A 53 53 GLU N N 50 120.300 118.161 2.139 1
1 636 . 1 1 1 A 54 54 SER H H 51 7.100 8.790 -1.690 1
1 637 . 1 1 1 A 54 54 SER HA H 51 4.910 4.820 0.090 1
1 640 . 1 1 1 A 54 54 SER CA C 51 56.500 58.569 -2.069 1
1 641 . 1 1 1 A 54 54 SER CB C 51 66.100 63.980 2.120 1
1 642 . 1 1 1 A 54 54 SER N N 51 110.300 116.173 -5.873 1
1 643 . 1 1 1 A 55 55 SER HA H 52 4.550 4.322 0.228 1
1 646 . 1 1 1 A 55 55 SER C C 52 173.500 174.644 -1.144 1
1 647 . 1 1 1 A 55 55 SER CA C 52 56.700 61.926 -5.226 1
1 648 . 1 1 1 A 55 55 SER CB C 52 62.100 63.242 -1.142 1
1 649 . 1 1 1 A 56 56 VAL H H 53 7.590 7.638 -0.048 1
1 650 . 1 1 1 A 56 56 VAL HA H 53 4.900 4.474 0.426 1
1 658 . 1 1 1 A 56 56 VAL C C 53 176.800 175.964 0.836 1
1 659 . 1 1 1 A 56 56 VAL CA C 53 61.300 59.941 1.359 1
1 660 . 1 1 1 A 56 56 VAL CB C 53 36.200 34.725 1.475 1
1 663 . 1 1 1 A 56 56 VAL N N 53 117.400 116.336 1.064 1
1 664 . 1 1 1 A 57 57 LEU H H 54 8.690 8.481 0.209 1
1 665 . 1 1 1 A 57 57 LEU HA H 54 3.930 4.438 -0.508 1
1 675 . 1 1 1 A 57 57 LEU C C 54 179.500 178.307 1.193 1
1 676 . 1 1 1 A 57 57 LEU CA C 54 60.000 55.614 4.386 1
1 677 . 1 1 1 A 57 57 LEU CB C 54 40.800 42.236 -1.436 1
1 681 . 1 1 1 A 57 57 LEU N N 54 121.100 126.309 -5.209 1
1 682 . 1 1 1 A 58 58 SER H H 55 9.750 7.811 1.939 1
1 683 . 1 1 1 A 58 58 SER HA H 55 3.800 4.545 -0.745 1
1 686 . 1 1 1 A 58 58 SER C C 55 174.100 175.004 -0.904 1
1 687 . 1 1 1 A 58 58 SER CA C 55 61.600 59.722 1.878 1
1 688 . 1 1 1 A 58 58 SER CB C 55 61.900 63.086 -1.186 1
1 689 . 1 1 1 A 58 58 SER N N 55 113.400 114.375 -0.975 1
1 690 . 1 1 1 A 59 59 ARG H H 56 7.510 7.660 -0.150 1
1 691 . 1 1 1 A 59 59 ARG HA H 56 4.560 4.543 0.017 1
1 698 . 1 1 1 A 59 59 ARG C C 56 177.500 175.306 2.194 1
1 699 . 1 1 1 A 59 59 ARG CA C 56 55.400 55.087 0.313 1
1 700 . 1 1 1 A 59 59 ARG CB C 56 30.400 30.409 -0.009 1
1 703 . 1 1 1 A 59 59 ARG N N 56 118.400 120.704 -2.304 1
1 704 . 1 1 1 A 60 60 GLY H H 57 8.550 7.937 0.613 1
1 705 . 1 1 1 A 60 60 GLY HA2 H 57 4.020 4.335 -0.315 1
1 706 . 1 1 1 A 60 60 GLY HA3 H 57 4.020 4.356 -0.336 1
1 707 . 1 1 1 A 60 60 GLY C C 57 171.200 172.040 -0.840 1
1 708 . 1 1 1 A 60 60 GLY CA C 57 45.400 44.357 1.043 1
1 709 . 1 1 1 A 60 60 GLY N N 57 108.600 109.284 -0.684 1
1 710 . 1 1 1 A 61 61 LEU H H 58 7.740 9.019 -1.279 1
1 711 . 1 1 1 A 61 61 LEU HA H 58 4.640 5.014 -0.374 1
1 721 . 1 1 1 A 61 61 LEU C C 58 177.000 176.043 0.957 1
1 722 . 1 1 1 A 61 61 LEU CA C 58 54.200 53.543 0.657 1
1 723 . 1 1 1 A 61 61 LEU CB C 58 43.700 44.116 -0.416 1
1 727 . 1 1 1 A 61 61 LEU N N 58 119.100 121.652 -2.552 1
1 728 . 1 1 1 A 62 62 ILE H H 59 8.780 8.635 0.145 1
1 729 . 1 1 1 A 62 62 ILE HA H 59 4.660 4.600 0.060 1
1 739 . 1 1 1 A 62 62 ILE C C 59 175.500 175.333 0.167 1
1 740 . 1 1 1 A 62 62 ILE CA C 59 60.600 61.028 -0.428 1
1 741 . 1 1 1 A 62 62 ILE CB C 59 38.700 37.793 0.907 1
1 745 . 1 1 1 A 62 62 ILE N N 59 126.500 124.284 2.216 1
1 746 . 1 1 1 A 63 63 ALA H H 60 9.110 9.256 -0.146 1
1 747 . 1 1 1 A 63 63 ALA HA H 60 4.590 5.121 -0.531 1
1 751 . 1 1 1 A 63 63 ALA C C 60 175.000 175.997 -0.997 1
1 752 . 1 1 1 A 63 63 ALA CA C 60 51.300 50.396 0.904 1
1 753 . 1 1 1 A 63 63 ALA CB C 60 23.100 23.023 0.077 1
1 754 . 1 1 1 A 63 63 ALA N N 60 129.300 129.222 0.078 1
1 755 . 1 1 1 A 64 64 GLU H H 61 8.460 8.582 -0.122 1
1 756 . 1 1 1 A 64 64 GLU HA H 61 5.070 5.253 -0.183 1
1 761 . 1 1 1 A 64 64 GLU C C 61 176.000 176.020 -0.020 1
1 762 . 1 1 1 A 64 64 GLU CA C 61 55.100 56.447 -1.347 1
1 763 . 1 1 1 A 64 64 GLU CB C 61 31.200 31.383 -0.183 1
1 765 . 1 1 1 A 64 64 GLU N N 61 121.500 121.022 0.478 1
1 766 . 1 1 1 A 65 65 HIS H H 62 9.310 9.287 0.023 1
1 767 . 1 1 1 A 65 65 HIS HA H 62 4.740 4.859 -0.119 1
1 772 . 1 1 1 A 65 65 HIS CA C 62 56.400 56.136 0.264 1
1 773 . 1 1 1 A 65 65 HIS CB C 62 32.600 33.836 -1.236 1
1 776 . 1 1 1 A 65 65 HIS N N 62 123.500 122.059 1.441 1
1 777 . 1 1 1 A 66 66 GLN HA H 63 3.870 3.816 0.054 1
1 784 . 1 1 1 A 66 66 GLN C C 63 176.000 176.047 -0.047 1
1 785 . 1 1 1 A 66 66 GLN CA C 63 56.600 56.998 -0.398 1
1 786 . 1 1 1 A 66 66 GLN CB C 63 26.800 26.896 -0.096 1
1 790 . 1 1 1 A 67 67 GLY H H 64 8.970 8.650 0.320 1
1 791 . 1 1 1 A 67 67 GLY HA2 H 64 3.680 3.871 -0.191 1
1 792 . 1 1 1 A 67 67 GLY HA3 H 64 4.140 3.883 0.257 1
1 793 . 1 1 1 A 67 67 GLY C C 64 173.800 173.825 -0.025 1
1 794 . 1 1 1 A 67 67 GLY CA C 64 45.600 45.462 0.138 1
1 795 . 1 1 1 A 67 67 GLY N N 64 104.200 105.666 -1.466 1
1 796 . 1 1 1 A 68 68 GLU H H 65 7.850 7.894 -0.044 1
1 797 . 1 1 1 A 68 68 GLU HA H 65 4.810 4.749 0.061 1
1 802 . 1 1 1 A 68 68 GLU C C 65 174.400 175.562 -1.162 1
1 803 . 1 1 1 A 68 68 GLU CA C 65 54.100 54.584 -0.484 1
1 804 . 1 1 1 A 68 68 GLU CB C 65 34.000 32.211 1.789 1
1 806 . 1 1 1 A 68 68 GLU N N 65 118.800 119.560 -0.760 1
1 807 . 1 1 1 A 69 69 LEU H H 66 8.030 8.509 -0.479 1
1 808 . 1 1 1 A 69 69 LEU HA H 66 4.920 4.905 0.015 1
1 818 . 1 1 1 A 69 69 LEU C C 66 177.100 175.819 1.281 1
1 819 . 1 1 1 A 69 69 LEU CA C 66 54.300 53.366 0.934 1
1 820 . 1 1 1 A 69 69 LEU CB C 66 44.500 42.548 1.952 1
1 824 . 1 1 1 A 69 69 LEU N N 66 119.000 122.861 -3.861 1
1 825 . 1 1 1 A 70 70 TRP H H 67 8.980 9.295 -0.315 1
1 826 . 1 1 1 A 70 70 TRP HA H 67 5.140 5.485 -0.345 1
1 835 . 1 1 1 A 70 70 TRP C C 67 174.400 175.308 -0.908 1
1 836 . 1 1 1 A 70 70 TRP CA C 67 55.100 55.397 -0.297 1
1 837 . 1 1 1 A 70 70 TRP CB C 67 31.800 32.923 -1.123 1
1 843 . 1 1 1 A 70 70 TRP N N 67 122.200 124.775 -2.575 1
1 845 . 1 1 1 A 71 71 VAL H H 68 9.490 9.216 0.274 1
1 846 . 1 1 1 A 71 71 VAL HA H 68 4.990 4.748 0.242 1
1 854 . 1 1 1 A 71 71 VAL C C 68 173.000 174.469 -1.469 1
1 855 . 1 1 1 A 71 71 VAL CA C 68 58.500 60.586 -2.086 1
1 856 . 1 1 1 A 71 71 VAL CB C 68 34.300 32.677 1.623 1
1 859 . 1 1 1 A 71 71 VAL N N 68 120.900 124.132 -3.232 1
1 860 . 1 1 1 A 72 72 ALA H H 69 8.550 9.574 -1.024 1
1 861 . 1 1 1 A 72 72 ALA HA H 69 5.280 5.623 -0.343 1
1 865 . 1 1 1 A 72 72 ALA C C 69 178.000 176.190 1.810 1
1 866 . 1 1 1 A 72 72 ALA CA C 69 49.200 50.210 -1.010 1
1 867 . 1 1 1 A 72 72 ALA CB C 69 19.700 20.560 -0.860 1
1 868 . 1 1 1 A 72 72 ALA N N 69 130.000 131.969 -1.969 1
1 869 . 1 1 1 A 73 73 SER H H 70 9.470 9.321 0.149 1
1 870 . 1 1 1 A 73 73 SER HA H 70 4.540 4.782 -0.242 1
1 873 . 1 1 1 A 73 73 SER CA C 70 55.700 56.267 -0.567 1
1 874 . 1 1 1 A 73 73 SER CB C 70 64.400 63.606 0.794 1
1 875 . 1 1 1 A 73 73 SER N N 70 118.100 120.755 -2.655 1
1 876 . 1 1 1 A 74 74 PRO HA H 71 4.540 4.442 0.098 1
1 883 . 1 1 1 A 74 74 PRO C C 71 176.700 177.870 -1.170 1
1 884 . 1 1 1 A 74 74 PRO CA C 71 64.000 64.201 -0.201 1
1 885 . 1 1 1 A 74 74 PRO CB C 71 32.300 31.773 0.527 1
1 888 . 1 1 1 A 75 75 LEU H H 72 7.850 8.117 -0.267 1
1 889 . 1 1 1 A 75 75 LEU HA H 72 4.330 4.026 0.304 1
1 899 . 1 1 1 A 75 75 LEU CA C 72 56.200 57.465 -1.265 1
1 900 . 1 1 1 A 75 75 LEU CB C 72 38.500 41.965 -3.465 1
1 904 . 1 1 1 A 75 75 LEU N N 72 119.300 118.807 0.493 1
1 905 . 1 1 1 A 76 76 LYS HA H 73 4.470 4.553 -0.083 1
1 914 . 1 1 1 A 76 76 LYS C C 73 176.600 176.564 0.036 1
1 915 . 1 1 1 A 76 76 LYS CA C 73 54.600 56.074 -1.474 1
1 916 . 1 1 1 A 76 76 LYS CB C 73 31.700 33.855 -2.155 1
1 920 . 1 1 1 A 77 77 LYS H H 74 7.240 8.055 -0.815 1
1 921 . 1 1 1 A 77 77 LYS HA H 74 4.440 4.452 -0.012 1
1 930 . 1 1 1 A 77 77 LYS C C 74 175.500 175.788 -0.288 1
1 931 . 1 1 1 A 77 77 LYS CA C 74 57.800 55.259 2.541 1
1 932 . 1 1 1 A 77 77 LYS CB C 74 28.600 33.260 -4.660 1
1 936 . 1 1 1 A 77 77 LYS N N 74 110.900 121.487 -10.587 1
1 937 . 1 1 1 A 78 78 GLN H H 75 8.080 7.561 0.519 1
1 938 . 1 1 1 A 78 78 GLN HA H 75 4.030 4.101 -0.071 1
1 945 . 1 1 1 A 78 78 GLN C C 75 174.500 175.607 -1.107 1
1 946 . 1 1 1 A 78 78 GLN CA C 75 58.400 55.988 2.412 1
1 947 . 1 1 1 A 78 78 GLN CB C 75 27.400 29.444 -2.044 1
1 949 . 1 1 1 A 78 78 GLN N N 75 119.100 120.933 -1.833 1
1 951 . 1 1 1 A 79 79 ARG H H 76 9.800 9.328 0.472 1
1 952 . 1 1 1 A 79 79 ARG HA H 76 5.310 5.401 -0.091 1
1 960 . 1 1 1 A 79 79 ARG C C 76 175.800 175.134 0.666 1
1 961 . 1 1 1 A 79 79 ARG CA C 76 55.300 54.722 0.578 1
1 962 . 1 1 1 A 79 79 ARG CB C 76 33.100 32.181 0.919 1
1 965 . 1 1 1 A 79 79 ARG N N 76 122.800 123.898 -1.098 1
1 967 . 1 1 1 A 80 80 PHE H H 77 9.220 9.469 -0.249 1
1 968 . 1 1 1 A 80 80 PHE HA H 77 5.630 5.163 0.467 1
1 976 . 1 1 1 A 80 80 PHE C C 77 175.300 174.845 0.455 1
1 977 . 1 1 1 A 80 80 PHE CA C 77 55.800 57.021 -1.221 1
1 978 . 1 1 1 A 80 80 PHE CB C 77 41.300 40.670 0.630 1
1 984 . 1 1 1 A 80 80 PHE N N 77 119.400 122.917 -3.517 1
1 985 . 1 1 1 A 81 81 ARG H H 78 9.870 8.696 1.174 1
1 986 . 1 1 1 A 81 81 ARG HA H 78 3.490 3.871 -0.381 1
1 996 . 1 1 1 A 81 81 ARG C C 78 177.400 175.584 1.816 1
1 997 . 1 1 1 A 81 81 ARG CA C 78 58.100 56.160 1.940 1
1 998 . 1 1 1 A 81 81 ARG CB C 78 30.500 29.785 0.715 1
1 1001 . 1 1 1 A 81 81 ARG N N 78 130.100 124.881 5.219 1
1 1004 . 1 1 1 A 82 82 LEU H H 79 7.860 8.690 -0.830 1
1 1005 . 1 1 1 A 82 82 LEU HA H 79 3.790 4.011 -0.221 1
1 1015 . 1 1 1 A 82 82 LEU C C 79 177.500 177.957 -0.457 1
1 1016 . 1 1 1 A 82 82 LEU CA C 79 57.600 56.020 1.580 1
1 1017 . 1 1 1 A 82 82 LEU CB C 79 39.600 41.578 -1.978 1
1 1021 . 1 1 1 A 82 82 LEU N N 79 125.300 127.379 -2.079 1
1 1022 . 1 1 1 A 83 83 SER H H 80 8.000 7.545 0.455 1
1 1023 . 1 1 1 A 83 83 SER HA H 80 4.200 3.380 0.820 1
1 1026 . 1 1 1 A 83 83 SER C C 80 176.600 174.327 2.273 1
1 1027 . 1 1 1 A 83 83 SER CA C 80 60.100 61.590 -1.490 1
1 1028 . 1 1 1 A 83 83 SER CB C 80 62.500 62.755 -0.255 1
1 1029 . 1 1 1 A 83 83 SER N N 80 109.700 115.418 -5.718 1
1 1030 . 1 1 1 A 84 84 ASP H H 81 7.100 8.217 -1.117 1
1 1031 . 1 1 1 A 84 84 ASP HA H 81 4.090 4.334 -0.244 1
1 1034 . 1 1 1 A 84 84 ASP C C 81 175.900 176.142 -0.242 1
1 1035 . 1 1 1 A 84 84 ASP CA C 81 53.500 55.391 -1.891 1
1 1036 . 1 1 1 A 84 84 ASP CB C 81 41.900 43.340 -1.440 1
1 1037 . 1 1 1 A 84 84 ASP N N 81 117.300 118.577 -1.277 1
1 1038 . 1 1 1 A 85 85 GLY H H 82 8.860 7.380 1.480 1
1 1039 . 1 1 1 A 85 85 GLY HA2 H 82 3.590 4.061 -0.471 1
1 1040 . 1 1 1 A 85 85 GLY HA3 H 82 4.810 4.070 0.740 1
1 1041 . 1 1 1 A 85 85 GLY C C 82 173.700 174.539 -0.839 1
1 1042 . 1 1 1 A 85 85 GLY CA C 82 45.900 45.008 0.892 1
1 1043 . 1 1 1 A 85 85 GLY N N 82 111.300 106.558 4.742 1
1 1044 . 1 1 1 A 86 86 LEU H H 83 7.430 7.847 -0.417 1
1 1045 . 1 1 1 A 86 86 LEU HA H 83 4.290 4.754 -0.464 1
1 1055 . 1 1 1 A 86 86 LEU C C 83 176.600 175.456 1.144 1
1 1056 . 1 1 1 A 86 86 LEU CA C 83 56.200 53.965 2.235 1
1 1057 . 1 1 1 A 86 86 LEU CB C 83 43.100 42.783 0.317 1
1 1061 . 1 1 1 A 86 86 LEU N N 83 120.800 122.586 -1.786 1
1 1062 . 1 1 1 A 87 87 CYS H H 84 8.080 8.715 -0.635 1
1 1063 . 1 1 1 A 87 87 CYS HA H 84 5.290 4.801 0.489 1
1 1066 . 1 1 1 A 87 87 CYS C C 84 175.300 175.870 -0.570 1
1 1067 . 1 1 1 A 87 87 CYS CA C 84 56.600 59.184 -2.584 1
1 1068 . 1 1 1 A 87 87 CYS CB C 84 27.800 28.405 -0.605 1
1 1069 . 1 1 1 A 87 87 CYS N N 84 126.300 126.612 -0.312 1
1 1070 . 1 1 1 A 88 88 MET H H 85 8.760 9.182 -0.422 1
1 1071 . 1 1 1 A 88 88 MET HA H 85 3.630 4.287 -0.657 1
1 1079 . 1 1 1 A 88 88 MET C C 85 177.500 177.072 0.428 1
1 1080 . 1 1 1 A 88 88 MET CA C 85 58.800 57.516 1.284 1
1 1081 . 1 1 1 A 88 88 MET CB C 85 33.800 32.510 1.290 1
1 1084 . 1 1 1 A 88 88 MET N N 85 130.500 127.470 3.030 1
1 1085 . 1 1 1 A 89 89 GLU H H 86 9.160 7.405 1.755 1
1 1086 . 1 1 1 A 89 89 GLU HA H 86 3.770 4.158 -0.388 1
1 1091 . 1 1 1 A 89 89 GLU C C 86 177.500 176.652 0.848 1
1 1092 . 1 1 1 A 89 89 GLU CA C 86 60.900 57.866 3.034 1
1 1093 . 1 1 1 A 89 89 GLU CB C 86 29.300 30.200 -0.900 1
1 1095 . 1 1 1 A 89 89 GLU N N 86 119.200 118.020 1.180 1
1 1096 . 1 1 1 A 90 90 ASP H H 87 7.080 7.572 -0.492 1
1 1097 . 1 1 1 A 90 90 ASP HA H 87 4.590 4.717 -0.127 1
1 1100 . 1 1 1 A 90 90 ASP CA C 87 54.700 52.977 1.723 1
1 1101 . 1 1 1 A 90 90 ASP CB C 87 41.800 40.841 0.959 1
1 1102 . 1 1 1 A 90 90 ASP N N 87 115.800 119.574 -3.774 1
1 1103 . 1 1 1 A 91 91 GLU H H 88 9.340 8.445 0.895 1
1 1104 . 1 1 1 A 91 91 GLU HA H 88 4.290 4.066 0.224 1
1 1109 . 1 1 1 A 91 91 GLU C C 88 178.900 178.127 0.773 1
1 1110 . 1 1 1 A 91 91 GLU CA C 88 59.000 58.589 0.411 1
1 1111 . 1 1 1 A 91 91 GLU CB C 88 29.100 28.607 0.493 1
1 1113 . 1 1 1 A 91 91 GLU N N 88 127.400 118.811 8.589 1
1 1114 . 1 1 1 A 92 92 GLN H H 89 8.920 7.806 1.114 1
1 1115 . 1 1 1 A 92 92 GLN HA H 89 4.170 3.866 0.304 1
1 1122 . 1 1 1 A 92 92 GLN C C 89 176.600 177.167 -0.567 1
1 1123 . 1 1 1 A 92 92 GLN CA C 89 57.800 58.525 -0.725 1
1 1124 . 1 1 1 A 92 92 GLN CB C 89 28.400 28.360 0.040 1
1 1127 . 1 1 1 A 92 92 GLN N N 89 120.400 118.321 2.079 1
1 1129 . 1 1 1 A 93 93 PHE H H 90 8.150 8.253 -0.103 1
1 1130 . 1 1 1 A 93 93 PHE HA H 90 4.430 4.649 -0.219 1
1 1138 . 1 1 1 A 93 93 PHE C C 90 172.600 176.324 -3.724 1
1 1139 . 1 1 1 A 93 93 PHE CA C 90 57.800 58.575 -0.775 1
1 1140 . 1 1 1 A 93 93 PHE CB C 90 39.300 40.544 -1.244 1
1 1146 . 1 1 1 A 93 93 PHE N N 90 119.700 114.485 5.215 1
1 1147 . 1 1 1 A 94 94 SER H H 91 7.020 8.228 -1.208 1
1 1148 . 1 1 1 A 94 94 SER HA H 91 4.870 4.624 0.246 1
1 1152 . 1 1 1 A 94 94 SER C C 91 174.100 174.380 -0.280 1
1 1153 . 1 1 1 A 94 94 SER CA C 91 60.900 59.785 1.115 1
1 1154 . 1 1 1 A 94 94 SER CB C 91 63.600 62.306 1.294 1
1 1155 . 1 1 1 A 94 94 SER N N 91 112.700 112.350 0.350 1
1 1156 . 1 1 1 A 95 95 VAL H H 92 9.120 8.282 0.838 1
1 1157 . 1 1 1 A 95 95 VAL HA H 92 4.810 4.605 0.205 1
1 1165 . 1 1 1 A 95 95 VAL C C 92 175.700 175.732 -0.032 1
1 1166 . 1 1 1 A 95 95 VAL CA C 92 59.200 60.693 -1.493 1
1 1167 . 1 1 1 A 95 95 VAL CB C 92 35.700 33.483 2.217 1
1 1170 . 1 1 1 A 95 95 VAL N N 92 116.900 120.357 -3.457 1
1 1171 . 1 1 1 A 96 96 LYS H H 93 8.390 8.327 0.063 1
1 1172 . 1 1 1 A 96 96 LYS HA H 93 4.010 4.259 -0.249 1
1 1181 . 1 1 1 A 96 96 LYS C C 93 174.800 175.260 -0.460 1
1 1182 . 1 1 1 A 96 96 LYS CA C 93 57.700 57.003 0.697 1
1 1183 . 1 1 1 A 96 96 LYS CB C 93 34.000 33.179 0.821 1
1 1187 . 1 1 1 A 96 96 LYS N N 93 120.300 123.048 -2.748 1
1 1188 . 1 1 1 A 97 97 HIS H H 94 8.030 8.596 -0.566 1
1 1189 . 1 1 1 A 97 97 HIS HA H 94 5.060 5.383 -0.323 1
1 1194 . 1 1 1 A 97 97 HIS C C 94 172.600 172.717 -0.117 1
1 1195 . 1 1 1 A 97 97 HIS CA C 94 54.700 54.070 0.630 1
1 1196 . 1 1 1 A 97 97 HIS CB C 94 31.400 32.849 -1.449 1
1 1199 . 1 1 1 A 97 97 HIS N N 94 121.000 126.638 -5.638 1
1 1200 . 1 1 1 A 98 98 TYR H H 95 7.610 9.472 -1.862 1
1 1201 . 1 1 1 A 98 98 TYR HA H 95 4.410 4.794 -0.384 1
1 1208 . 1 1 1 A 98 98 TYR C C 95 173.600 174.521 -0.921 1
1 1209 . 1 1 1 A 98 98 TYR CA C 95 56.400 56.145 0.255 1
1 1210 . 1 1 1 A 98 98 TYR CB C 95 40.900 41.904 -1.004 1
1 1215 . 1 1 1 A 98 98 TYR N N 95 121.800 124.963 -3.163 1
1 1216 . 1 1 1 A 99 99 GLU H H 96 8.480 8.726 -0.246 1
1 1217 . 1 1 1 A 99 99 GLU HA H 96 4.420 4.689 -0.269 1
1 1222 . 1 1 1 A 99 99 GLU C C 96 174.300 175.416 -1.116 1
1 1223 . 1 1 1 A 99 99 GLU CA C 96 56.600 55.885 0.715 1
1 1224 . 1 1 1 A 99 99 GLU CB C 96 30.700 31.021 -0.321 1
1 1226 . 1 1 1 A 99 99 GLU N N 96 122.200 123.692 -1.492 1
1 1227 . 1 1 1 A 100 100 ALA H H 97 8.420 8.802 -0.382 1
1 1228 . 1 1 1 A 100 100 ALA HA H 97 5.940 5.815 0.125 1
1 1232 . 1 1 1 A 100 100 ALA C C 97 176.100 176.078 0.022 1
1 1233 . 1 1 1 A 100 100 ALA CA C 97 50.400 50.639 -0.239 1
1 1234 . 1 1 1 A 100 100 ALA CB C 97 23.700 22.125 1.575 1
1 1235 . 1 1 1 A 100 100 ALA N N 97 124.100 128.695 -4.595 1
1 1236 . 1 1 1 A 101 101 ARG H H 98 9.000 9.244 -0.244 1
1 1237 . 1 1 1 A 101 101 ARG HA H 98 4.640 4.955 -0.315 1
1 1245 . 1 1 1 A 101 101 ARG C C 98 172.100 174.465 -2.365 1
1 1246 . 1 1 1 A 101 101 ARG CA C 98 54.200 54.193 0.007 1
1 1247 . 1 1 1 A 101 101 ARG CB C 98 32.800 33.588 -0.788 1
1 1250 . 1 1 1 A 101 101 ARG N N 98 118.400 121.209 -2.809 1
1 1252 . 1 1 1 A 102 102 VAL H H 99 8.330 8.759 -0.429 1
1 1253 . 1 1 1 A 102 102 VAL HA H 99 4.720 4.549 0.171 1
1 1261 . 1 1 1 A 102 102 VAL C C 99 175.200 174.351 0.849 1
1 1262 . 1 1 1 A 102 102 VAL CA C 99 61.100 61.802 -0.702 1
1 1263 . 1 1 1 A 102 102 VAL CB C 99 32.700 31.538 1.162 1
1 1266 . 1 1 1 A 102 102 VAL N N 99 119.500 123.019 -3.519 1
1 1267 . 1 1 1 A 103 103 LYS H H 100 9.070 9.021 0.049 1
1 1268 . 1 1 1 A 103 103 LYS HA H 100 4.460 4.544 -0.084 1
1 1277 . 1 1 1 A 103 103 LYS C C 100 175.700 175.600 0.100 1
1 1278 . 1 1 1 A 103 103 LYS CA C 100 54.300 54.980 -0.680 1
1 1279 . 1 1 1 A 103 103 LYS CB C 100 34.800 33.943 0.857 1
1 1283 . 1 1 1 A 103 103 LYS N N 100 130.200 128.174 2.026 1
1 1284 . 1 1 1 A 104 104 ASP H H 101 9.560 9.456 0.104 1
1 1285 . 1 1 1 A 104 104 ASP HA H 101 4.210 4.371 -0.161 1
1 1288 . 1 1 1 A 104 104 ASP C C 101 175.800 176.237 -0.437 1
1 1289 . 1 1 1 A 104 104 ASP CA C 101 55.500 55.325 0.175 1
1 1290 . 1 1 1 A 104 104 ASP CB C 101 39.700 39.331 0.369 1
1 1291 . 1 1 1 A 104 104 ASP N N 101 130.600 127.899 2.701 1
1 1292 . 1 1 1 A 105 105 GLY H H 102 8.260 8.562 -0.302 1
1 1293 . 1 1 1 A 105 105 GLY HA2 H 102 3.450 3.794 -0.344 1
1 1294 . 1 1 1 A 105 105 GLY HA3 H 102 4.170 3.796 0.374 1
1 1295 . 1 1 1 A 105 105 GLY C C 102 173.300 173.701 -0.401 1
1 1296 . 1 1 1 A 105 105 GLY CA C 102 45.300 45.506 -0.206 1
1 1297 . 1 1 1 A 105 105 GLY N N 102 101.900 105.029 -3.129 1
1 1298 . 1 1 1 A 106 106 VAL H H 103 7.900 7.982 -0.082 1
1 1299 . 1 1 1 A 106 106 VAL HA H 103 4.270 4.314 -0.044 1
1 1307 . 1 1 1 A 106 106 VAL C C 103 175.100 174.864 0.236 1
1 1308 . 1 1 1 A 106 106 VAL CA C 103 62.100 61.233 0.867 1
1 1309 . 1 1 1 A 106 106 VAL CB C 103 34.100 33.944 0.156 1
1 1312 . 1 1 1 A 106 106 VAL N N 103 123.800 121.962 1.838 1
1 1313 . 1 1 1 A 107 107 VAL H H 104 9.290 9.199 0.091 1
1 1314 . 1 1 1 A 107 107 VAL HA H 104 4.220 4.314 -0.094 1
1 1322 . 1 1 1 A 107 107 VAL C C 104 174.300 175.427 -1.127 1
1 1323 . 1 1 1 A 107 107 VAL CA C 104 62.700 62.843 -0.143 1
1 1324 . 1 1 1 A 107 107 VAL CB C 104 31.500 31.326 0.174 1
1 1327 . 1 1 1 A 107 107 VAL N N 104 127.300 128.444 -1.144 1
1 1328 . 1 1 1 A 108 108 GLN H H 105 9.410 9.215 0.195 1
1 1329 . 1 1 1 A 108 108 GLN HA H 105 5.720 5.350 0.370 1
1 1336 . 1 1 1 A 108 108 GLN C C 105 174.900 174.736 0.164 1
1 1337 . 1 1 1 A 108 108 GLN CA C 105 53.400 54.500 -1.100 1
1 1338 . 1 1 1 A 108 108 GLN CB C 105 34.600 32.028 2.572 1
1 1341 . 1 1 1 A 108 108 GLN N N 105 126.500 127.255 -0.755 1
1 1343 . 1 1 1 A 109 109 LEU H H 106 8.530 9.039 -0.509 1
1 1344 . 1 1 1 A 109 109 LEU HA H 106 5.760 5.556 0.204 1
1 1354 . 1 1 1 A 109 109 LEU C C 106 176.300 174.904 1.396 1
1 1355 . 1 1 1 A 109 109 LEU CA C 106 52.800 53.264 -0.464 1
1 1356 . 1 1 1 A 109 109 LEU CB C 106 48.900 44.879 4.021 1
1 1360 . 1 1 1 A 109 109 LEU N N 106 118.900 124.178 -5.278 1
1 1361 . 1 1 1 A 110 110 ARG H H 107 8.310 9.035 -0.725 1
1 1362 . 1 1 1 A 110 110 ARG HA H 107 4.230 4.856 -0.626 1
1 1370 . 1 1 1 A 110 110 ARG C C 107 174.800 175.019 -0.219 1
1 1371 . 1 1 1 A 110 110 ARG CA C 107 55.700 53.692 2.008 1
1 1372 . 1 1 1 A 110 110 ARG CB C 107 31.900 32.261 -0.361 1
1 1375 . 1 1 1 A 110 110 ARG N N 107 119.900 123.296 -3.396 1
1 1377 . 1 1 1 A 111 111 GLY H H 108 8.390 8.390 0.000 1
1 1378 . 1 1 1 A 111 111 GLY HA2 H 108 3.880 4.223 -0.343 1
1 1379 . 1 1 1 A 111 111 GLY HA3 H 108 4.130 4.383 -0.253 1
1 1380 . 1 1 1 A 111 111 GLY C C 108 173.500 173.936 -0.436 1
1 1381 . 1 1 1 A 111 111 GLY CA C 108 45.000 45.286 -0.286 1
1 1382 . 1 1 1 A 111 111 GLY N N 108 110.000 111.898 -1.898 1
1 1383 . 1 1 1 A 112 112 GLY H H 109 8.280 8.807 -0.527 1
1 1384 . 1 1 1 A 112 112 GLY HA2 H 109 3.850 3.818 0.032 1
1 1385 . 1 1 1 A 112 112 GLY HA3 H 109 3.950 3.833 0.117 1
1 1386 . 1 1 1 A 112 112 GLY C C 109 173.200 175.194 -1.994 1
1 1387 . 1 1 1 A 112 112 GLY CA C 109 45.100 47.068 -1.968 1
1 1388 . 1 1 1 A 112 112 GLY N N 109 108.400 108.439 -0.039 1
1 10 . 2 1 1 A 5 5 SER H H 2 8.360 7.945 0.415 1
1 11 . 2 1 1 A 5 5 SER HA H 2 4.400 4.456 -0.056 1
1 14 . 2 1 1 A 5 5 SER C C 2 174.100 175.362 -1.262 1
1 15 . 2 1 1 A 5 5 SER CA C 2 58.200 58.779 -0.579 1
1 16 . 2 1 1 A 5 5 SER CB C 2 63.700 64.302 -0.602 1
1 17 . 2 1 1 A 5 5 SER N N 2 117.000 108.734 8.266 1
1 18 . 2 1 1 A 6 6 GLN H H 3 8.280 7.882 0.398 1
1 19 . 2 1 1 A 6 6 GLN HA H 3 4.320 3.899 0.421 1
1 26 . 2 1 1 A 6 6 GLN C C 3 175.500 175.226 0.274 1
1 27 . 2 1 1 A 6 6 GLN CA C 3 55.400 56.855 -1.455 1
1 28 . 2 1 1 A 6 6 GLN CB C 3 30.100 26.508 3.592 1
1 31 . 2 1 1 A 6 6 GLN N N 3 121.800 115.279 6.521 1
1 33 . 2 1 1 A 7 7 TRP H H 4 8.170 7.767 0.403 1
1 34 . 2 1 1 A 7 7 TRP HA H 4 4.470 4.944 -0.474 1
1 43 . 2 1 1 A 7 7 TRP C C 4 176.200 176.558 -0.358 1
1 44 . 2 1 1 A 7 7 TRP CA C 4 57.600 58.660 -1.060 1
1 45 . 2 1 1 A 7 7 TRP CB C 4 30.300 29.871 0.429 1
1 51 . 2 1 1 A 7 7 TRP N N 4 122.300 119.656 2.644 1
1 53 . 2 1 1 A 8 8 LYS H H 5 9.370 8.823 0.547 1
1 54 . 2 1 1 A 8 8 LYS HA H 5 4.690 4.855 -0.165 1
1 63 . 2 1 1 A 8 8 LYS C C 5 175.600 175.510 0.090 1
1 64 . 2 1 1 A 8 8 LYS CA C 5 54.200 54.815 -0.615 1
1 65 . 2 1 1 A 8 8 LYS CB C 5 34.700 35.159 -0.459 1
1 69 . 2 1 1 A 8 8 LYS N N 5 125.100 125.192 -0.092 1
1 70 . 2 1 1 A 9 9 ASP H H 6 8.730 8.883 -0.153 1
1 71 . 2 1 1 A 9 9 ASP HA H 6 4.500 4.946 -0.446 1
1 74 . 2 1 1 A 9 9 ASP C C 6 176.200 175.737 0.463 1
1 75 . 2 1 1 A 9 9 ASP CA C 6 55.400 54.535 0.865 1
1 76 . 2 1 1 A 9 9 ASP CB C 6 40.700 40.660 0.040 1
1 77 . 2 1 1 A 9 9 ASP N N 6 125.400 124.736 0.664 1
1 78 . 2 1 1 A 10 10 ILE H H 7 9.300 9.610 -0.310 1
1 79 . 2 1 1 A 10 10 ILE HA H 7 4.300 4.142 0.158 1
1 89 . 2 1 1 A 10 10 ILE C C 7 175.500 175.975 -0.475 1
1 90 . 2 1 1 A 10 10 ILE CA C 7 60.000 62.771 -2.771 1
1 91 . 2 1 1 A 10 10 ILE CB C 7 37.700 38.057 -0.357 1
1 95 . 2 1 1 A 10 10 ILE N N 7 122.900 123.657 -0.757 1
1 96 . 2 1 1 A 11 11 CYS H H 8 7.510 7.806 -0.296 1
1 97 . 2 1 1 A 11 11 CYS HA H 8 4.880 4.799 0.081 1
1 100 . 2 1 1 A 11 11 CYS C C 8 172.300 173.375 -1.075 1
1 101 . 2 1 1 A 11 11 CYS CA C 8 55.700 57.875 -2.175 1
1 102 . 2 1 1 A 11 11 CYS CB C 8 28.800 32.811 -4.011 1
1 103 . 2 1 1 A 11 11 CYS N N 8 111.400 117.021 -5.621 1
1 104 . 2 1 1 A 12 12 LYS H H 9 8.920 8.646 0.274 1
1 105 . 2 1 1 A 12 12 LYS HA H 9 4.880 4.668 0.212 1
1 114 . 2 1 1 A 12 12 LYS C C 9 179.400 178.081 1.319 1
1 115 . 2 1 1 A 12 12 LYS CA C 9 55.700 55.608 0.092 1
1 116 . 2 1 1 A 12 12 LYS CB C 9 32.100 33.301 -1.201 1
1 120 . 2 1 1 A 12 12 LYS N N 9 120.100 121.287 -1.187 1
1 121 . 2 1 1 A 13 13 ILE H H 10 8.640 8.950 -0.310 1
1 122 . 2 1 1 A 13 13 ILE HA H 10 3.990 3.974 0.016 1
1 132 . 2 1 1 A 13 13 ILE C C 10 174.900 177.986 -3.086 1
1 133 . 2 1 1 A 13 13 ILE CA C 10 61.000 62.995 -1.995 1
1 134 . 2 1 1 A 13 13 ILE CB C 10 37.800 38.042 -0.242 1
1 138 . 2 1 1 A 13 13 ILE N N 10 123.700 124.838 -1.138 1
1 139 . 2 1 1 A 14 14 ASP H H 11 7.600 8.403 -0.803 1
1 140 . 2 1 1 A 14 14 ASP HA H 11 4.350 4.596 -0.246 1
1 143 . 2 1 1 A 14 14 ASP C C 11 176.500 177.405 -0.905 1
1 144 . 2 1 1 A 14 14 ASP CA C 11 55.400 56.892 -1.492 1
1 145 . 2 1 1 A 14 14 ASP CB C 11 40.400 40.636 -0.236 1
1 146 . 2 1 1 A 14 14 ASP N N 11 115.800 121.756 -5.956 1
1 147 . 2 1 1 A 15 15 ASP H H 12 7.600 7.714 -0.114 1
1 148 . 2 1 1 A 15 15 ASP HA H 12 4.490 4.600 -0.110 1
1 151 . 2 1 1 A 15 15 ASP C C 12 175.600 176.416 -0.816 1
1 152 . 2 1 1 A 15 15 ASP CA C 12 55.500 55.852 -0.352 1
1 153 . 2 1 1 A 15 15 ASP CB C 12 40.900 41.696 -0.796 1
1 154 . 2 1 1 A 15 15 ASP N N 12 116.800 117.751 -0.951 1
1 155 . 2 1 1 A 16 16 ILE H H 13 7.700 7.673 0.027 1
1 156 . 2 1 1 A 16 16 ILE HA H 13 4.000 4.266 -0.266 1
1 166 . 2 1 1 A 16 16 ILE C C 13 174.100 175.196 -1.096 1
1 167 . 2 1 1 A 16 16 ILE CA C 13 60.500 60.496 0.004 1
1 168 . 2 1 1 A 16 16 ILE CB C 13 38.200 38.133 0.067 1
1 172 . 2 1 1 A 16 16 ILE N N 13 120.900 119.184 1.716 1
1 173 . 2 1 1 A 17 17 LEU H H 14 7.970 8.859 -0.889 1
1 174 . 2 1 1 A 17 17 LEU HA H 14 4.370 4.649 -0.279 1
1 184 . 2 1 1 A 17 17 LEU CA C 14 53.800 53.261 0.539 1
1 185 . 2 1 1 A 17 17 LEU CB C 14 40.500 40.947 -0.447 1
1 189 . 2 1 1 A 17 17 LEU N N 14 127.800 129.596 -1.796 1
1 190 . 2 1 1 A 18 18 PRO HA H 15 4.080 4.152 -0.072 1
1 197 . 2 1 1 A 18 18 PRO C C 15 175.700 176.728 -1.028 1
1 198 . 2 1 1 A 18 18 PRO CA C 15 64.300 63.666 0.634 1
1 199 . 2 1 1 A 18 18 PRO CB C 15 31.600 31.572 0.028 1
1 202 . 2 1 1 A 19 19 GLU H H 16 8.930 8.754 0.176 1
1 203 . 2 1 1 A 19 19 GLU HA H 16 3.660 3.843 -0.183 1
1 208 . 2 1 1 A 19 19 GLU C C 16 175.500 174.925 0.575 1
1 209 . 2 1 1 A 19 19 GLU CA C 16 58.300 57.386 0.914 1
1 210 . 2 1 1 A 19 19 GLU CB C 16 27.300 28.564 -1.264 1
1 212 . 2 1 1 A 19 19 GLU N N 16 113.700 116.670 -2.970 1
1 213 . 2 1 1 A 20 20 THR H H 17 7.790 7.275 0.515 1
1 214 . 2 1 1 A 20 20 THR HA H 17 5.080 4.897 0.183 1
1 220 . 2 1 1 A 20 20 THR C C 17 172.100 173.200 -1.100 1
1 221 . 2 1 1 A 20 20 THR CA C 17 60.700 59.993 0.707 1
1 222 . 2 1 1 A 20 20 THR CB C 17 73.100 71.740 1.360 1
1 224 . 2 1 1 A 20 20 THR N N 17 110.000 113.554 -3.554 1
1 225 . 2 1 1 A 21 21 GLY H H 18 8.080 8.804 -0.724 1
1 226 . 2 1 1 A 21 21 GLY HA2 H 18 3.070 3.903 -0.833 1
1 227 . 2 1 1 A 21 21 GLY HA3 H 18 5.270 4.035 1.235 1
1 228 . 2 1 1 A 21 21 GLY C C 18 173.400 172.330 1.070 1
1 229 . 2 1 1 A 21 21 GLY CA C 18 44.600 44.268 0.332 1
1 230 . 2 1 1 A 21 21 GLY N N 18 103.700 113.426 -9.726 1
1 231 . 2 1 1 A 22 22 VAL H H 19 8.520 9.139 -0.619 1
1 232 . 2 1 1 A 22 22 VAL HA H 19 4.570 4.881 -0.311 1
1 240 . 2 1 1 A 22 22 VAL C C 19 172.900 174.105 -1.205 1
1 241 . 2 1 1 A 22 22 VAL CA C 19 58.900 58.684 0.216 1
1 242 . 2 1 1 A 22 22 VAL CB C 19 35.900 35.157 0.743 1
1 245 . 2 1 1 A 22 22 VAL N N 19 112.900 118.290 -5.390 1
1 246 . 2 1 1 A 23 23 CYS H H 20 8.290 8.468 -0.178 1
1 247 . 2 1 1 A 23 23 CYS HA H 20 5.250 5.212 0.038 1
1 250 . 2 1 1 A 23 23 CYS C C 20 173.500 174.043 -0.543 1
1 251 . 2 1 1 A 23 23 CYS CA C 20 56.300 57.285 -0.985 1
1 252 . 2 1 1 A 23 23 CYS CB C 20 27.600 28.938 -1.338 1
1 253 . 2 1 1 A 23 23 CYS N N 20 120.700 120.585 0.115 1
1 254 . 2 1 1 A 24 24 ALA H H 21 9.590 9.522 0.068 1
1 255 . 2 1 1 A 24 24 ALA HA H 21 4.580 5.073 -0.493 1
1 259 . 2 1 1 A 24 24 ALA C C 21 174.400 175.270 -0.870 1
1 260 . 2 1 1 A 24 24 ALA CA C 21 50.200 50.377 -0.177 1
1 261 . 2 1 1 A 24 24 ALA CB C 21 23.400 23.685 -0.285 1
1 262 . 2 1 1 A 24 24 ALA N N 21 132.500 127.070 5.430 1
1 263 . 2 1 1 A 25 25 LEU H H 22 8.100 8.748 -0.648 1
1 264 . 2 1 1 A 25 25 LEU HA H 22 4.860 5.054 -0.194 1
1 274 . 2 1 1 A 25 25 LEU C C 22 175.800 175.387 0.413 1
1 275 . 2 1 1 A 25 25 LEU CA C 22 53.800 53.205 0.595 1
1 276 . 2 1 1 A 25 25 LEU CB C 22 43.600 45.299 -1.699 1
1 280 . 2 1 1 A 25 25 LEU N N 22 120.700 118.315 2.385 1
1 281 . 2 1 1 A 26 26 LEU H H 23 8.660 8.681 -0.021 1
1 282 . 2 1 1 A 26 26 LEU HA H 23 4.410 4.662 -0.252 1
1 292 . 2 1 1 A 26 26 LEU C C 23 176.600 176.616 -0.016 1
1 293 . 2 1 1 A 26 26 LEU CA C 23 53.100 53.464 -0.364 1
1 294 . 2 1 1 A 26 26 LEU CB C 23 43.400 44.196 -0.796 1
1 298 . 2 1 1 A 26 26 LEU N N 23 125.800 124.955 0.845 1
1 299 . 2 1 1 A 27 27 GLY H H 24 8.910 8.982 -0.072 1
1 300 . 2 1 1 A 27 27 GLY HA2 H 24 3.560 3.840 -0.280 1
1 301 . 2 1 1 A 27 27 GLY HA3 H 24 4.000 3.846 0.154 1
1 302 . 2 1 1 A 27 27 GLY C C 24 173.800 174.387 -0.587 1
1 303 . 2 1 1 A 27 27 GLY CA C 24 47.300 47.342 -0.042 1
1 304 . 2 1 1 A 27 27 GLY N N 24 118.300 116.622 1.678 1
1 305 . 2 1 1 A 28 28 ASP H H 25 8.800 8.689 0.111 1
1 306 . 2 1 1 A 28 28 ASP HA H 25 4.690 4.699 -0.009 1
1 309 . 2 1 1 A 28 28 ASP C C 25 176.100 175.131 0.969 1
1 310 . 2 1 1 A 28 28 ASP CA C 25 53.900 53.841 0.059 1
1 311 . 2 1 1 A 28 28 ASP CB C 25 41.300 42.284 -0.984 1
1 312 . 2 1 1 A 28 28 ASP N N 25 126.600 126.037 0.563 1
1 313 . 2 1 1 A 29 29 GLU H H 26 8.100 7.622 0.478 1
1 314 . 2 1 1 A 29 29 GLU HA H 26 4.440 4.812 -0.372 1
1 319 . 2 1 1 A 29 29 GLU C C 26 174.800 175.672 -0.872 1
1 320 . 2 1 1 A 29 29 GLU CA C 26 55.800 55.519 0.281 1
1 321 . 2 1 1 A 29 29 GLU CB C 26 30.600 31.965 -1.365 1
1 323 . 2 1 1 A 29 29 GLU N N 26 120.400 121.244 -0.844 1
1 324 . 2 1 1 A 30 30 GLN H H 27 8.640 8.604 0.036 1
1 325 . 2 1 1 A 30 30 GLN HA H 27 4.510 4.628 -0.118 1
1 332 . 2 1 1 A 30 30 GLN C C 27 175.800 174.874 0.926 1
1 333 . 2 1 1 A 30 30 GLN CA C 27 55.700 55.730 -0.030 1
1 334 . 2 1 1 A 30 30 GLN CB C 27 29.300 29.461 -0.161 1
1 336 . 2 1 1 A 30 30 GLN N N 27 121.300 124.425 -3.125 1
1 338 . 2 1 1 A 31 31 VAL H H 28 9.280 9.088 0.192 1
1 339 . 2 1 1 A 31 31 VAL HA H 28 4.040 4.688 -0.648 1
1 347 . 2 1 1 A 31 31 VAL C C 28 172.900 174.219 -1.319 1
1 348 . 2 1 1 A 31 31 VAL CA C 28 61.900 60.792 1.108 1
1 349 . 2 1 1 A 31 31 VAL CB C 28 34.800 33.856 0.944 1
1 352 . 2 1 1 A 31 31 VAL N N 28 128.600 125.018 3.582 1
1 353 . 2 1 1 A 32 32 ALA H H 29 9.440 9.444 -0.004 1
1 354 . 2 1 1 A 32 32 ALA HA H 29 4.680 4.949 -0.269 1
1 358 . 2 1 1 A 32 32 ALA C C 29 175.200 175.581 -0.381 1
1 359 . 2 1 1 A 32 32 ALA CA C 29 50.500 50.298 0.202 1
1 360 . 2 1 1 A 32 32 ALA CB C 29 20.200 20.286 -0.086 1
1 361 . 2 1 1 A 32 32 ALA N N 29 130.400 129.010 1.390 1
1 362 . 2 1 1 A 33 33 ILE H H 30 8.590 9.071 -0.481 1
1 363 . 2 1 1 A 33 33 ILE HA H 30 4.680 4.668 0.012 1
1 373 . 2 1 1 A 33 33 ILE C C 30 174.800 174.539 0.261 1
1 374 . 2 1 1 A 33 33 ILE CA C 30 59.900 60.025 -0.125 1
1 375 . 2 1 1 A 33 33 ILE CB C 30 39.300 38.927 0.373 1
1 379 . 2 1 1 A 33 33 ILE N N 30 120.600 124.174 -3.574 1
1 380 . 2 1 1 A 34 34 PHE H H 31 9.430 9.545 -0.115 1
1 381 . 2 1 1 A 34 34 PHE HA H 31 5.070 5.243 -0.173 1
1 386 . 2 1 1 A 34 34 PHE C C 31 174.800 174.590 0.210 1
1 387 . 2 1 1 A 34 34 PHE CA C 31 57.200 56.762 0.438 1
1 388 . 2 1 1 A 34 34 PHE CB C 31 43.400 41.304 2.096 1
1 391 . 2 1 1 A 34 34 PHE N N 31 121.800 126.425 -4.625 1
1 392 . 2 1 1 A 35 35 ARG H H 32 8.450 9.128 -0.678 1
1 393 . 2 1 1 A 35 35 ARG HA H 32 5.470 4.940 0.530 1
1 403 . 2 1 1 A 35 35 ARG CA C 32 52.000 52.566 -0.566 1
1 404 . 2 1 1 A 35 35 ARG CB C 32 33.200 31.372 1.828 1
1 407 . 2 1 1 A 35 35 ARG N N 32 123.000 124.553 -1.553 1
1 410 . 2 1 1 A 36 36 PRO HA H 33 3.910 4.563 -0.653 1
1 417 . 2 1 1 A 36 36 PRO C C 33 174.300 175.886 -1.586 1
1 418 . 2 1 1 A 36 36 PRO CA C 33 64.600 64.053 0.547 1
1 419 . 2 1 1 A 36 36 PRO CB C 33 32.800 32.093 0.707 1
1 422 . 2 1 1 A 37 37 TYR H H 34 9.000 7.716 1.284 1
1 423 . 2 1 1 A 37 37 TYR HA H 34 5.250 4.846 0.404 1
1 430 . 2 1 1 A 37 37 TYR C C 34 175.000 176.100 -1.100 1
1 431 . 2 1 1 A 37 37 TYR CA C 34 54.200 57.707 -3.507 1
1 432 . 2 1 1 A 37 37 TYR CB C 34 41.000 40.122 0.878 1
1 437 . 2 1 1 A 37 37 TYR N N 34 115.500 118.857 -3.357 1
1 438 . 2 1 1 A 38 38 HIS H H 35 8.700 9.230 -0.530 1
1 439 . 2 1 1 A 38 38 HIS HA H 35 4.490 4.748 -0.258 1
1 444 . 2 1 1 A 38 38 HIS C C 35 175.800 175.179 0.621 1
1 445 . 2 1 1 A 38 38 HIS CA C 35 56.400 57.406 -1.006 1
1 446 . 2 1 1 A 38 38 HIS CB C 35 28.600 30.131 -1.531 1
1 449 . 2 1 1 A 38 38 HIS N N 35 119.000 121.079 -2.079 1
1 450 . 2 1 1 A 39 39 SER H H 36 7.890 7.976 -0.086 1
1 451 . 2 1 1 A 39 39 SER HA H 36 4.770 4.566 0.204 1
1 454 . 2 1 1 A 39 39 SER C C 36 173.800 175.219 -1.419 1
1 455 . 2 1 1 A 39 39 SER CA C 36 57.000 56.844 0.156 1
1 456 . 2 1 1 A 39 39 SER CB C 36 64.700 63.644 1.056 1
1 457 . 2 1 1 A 39 39 SER N N 36 115.500 112.417 3.083 1
1 458 . 2 1 1 A 40 40 ASP H H 37 8.540 8.595 -0.055 1
1 459 . 2 1 1 A 40 40 ASP HA H 37 4.540 4.718 -0.178 1
1 462 . 2 1 1 A 40 40 ASP C C 37 174.700 176.139 -1.439 1
1 463 . 2 1 1 A 40 40 ASP CA C 37 53.800 53.454 0.346 1
1 464 . 2 1 1 A 40 40 ASP CB C 37 39.600 40.121 -0.521 1
1 465 . 2 1 1 A 40 40 ASP N N 37 119.400 118.848 0.552 1
1 466 . 2 1 1 A 41 41 GLN H H 38 7.490 7.312 0.178 1
1 467 . 2 1 1 A 41 41 GLN HA H 38 4.140 4.336 -0.196 1
1 474 . 2 1 1 A 41 41 GLN C C 38 175.500 175.679 -0.179 1
1 475 . 2 1 1 A 41 41 GLN CA C 38 57.100 55.667 1.433 1
1 476 . 2 1 1 A 41 41 GLN CB C 38 29.400 29.433 -0.033 1
1 479 . 2 1 1 A 41 41 GLN N N 38 118.700 119.851 -1.151 1
1 481 . 2 1 1 A 42 42 VAL H H 39 7.800 8.750 -0.950 1
1 482 . 2 1 1 A 42 42 VAL HA H 39 5.600 5.205 0.395 1
1 490 . 2 1 1 A 42 42 VAL C C 39 174.200 174.353 -0.153 1
1 491 . 2 1 1 A 42 42 VAL CA C 39 58.200 59.472 -1.272 1
1 492 . 2 1 1 A 42 42 VAL CB C 39 36.500 35.712 0.788 1
1 495 . 2 1 1 A 42 42 VAL N N 39 116.100 117.965 -1.865 1
1 496 . 2 1 1 A 43 43 PHE H H 40 8.480 9.350 -0.870 1
1 497 . 2 1 1 A 43 43 PHE HA H 40 4.870 5.378 -0.508 1
1 504 . 2 1 1 A 43 43 PHE C C 40 173.900 174.626 -0.726 1
1 505 . 2 1 1 A 43 43 PHE CA C 40 56.800 56.461 0.339 1
1 506 . 2 1 1 A 43 43 PHE CB C 40 45.300 43.553 1.747 1
1 511 . 2 1 1 A 43 43 PHE N N 40 117.200 120.516 -3.316 1
1 512 . 2 1 1 A 44 44 ALA H H 41 9.520 9.026 0.494 1
1 513 . 2 1 1 A 44 44 ALA HA H 41 6.200 5.796 0.404 1
1 517 . 2 1 1 A 44 44 ALA C C 41 176.300 175.956 0.344 1
1 518 . 2 1 1 A 44 44 ALA CA C 41 50.900 50.698 0.202 1
1 519 . 2 1 1 A 44 44 ALA CB C 41 24.100 22.636 1.464 1
1 520 . 2 1 1 A 44 44 ALA N N 41 125.100 122.494 2.606 1
1 521 . 2 1 1 A 45 45 ILE H H 42 8.970 9.070 -0.100 1
1 522 . 2 1 1 A 45 45 ILE HA H 42 5.580 5.209 0.371 1
1 532 . 2 1 1 A 45 45 ILE C C 42 174.600 174.879 -0.279 1
1 533 . 2 1 1 A 45 45 ILE CA C 42 59.300 58.752 0.548 1
1 534 . 2 1 1 A 45 45 ILE CB C 42 44.300 42.228 2.072 1
1 538 . 2 1 1 A 45 45 ILE N N 42 117.100 117.611 -0.511 1
1 539 . 2 1 1 A 46 46 SER H H 43 8.460 9.095 -0.635 1
1 540 . 2 1 1 A 46 46 SER HA H 43 4.350 4.656 -0.306 1
1 543 . 2 1 1 A 46 46 SER C C 43 172.100 174.931 -2.831 1
1 544 . 2 1 1 A 46 46 SER CA C 43 59.500 58.541 0.959 1
1 545 . 2 1 1 A 46 46 SER CB C 43 64.900 63.417 1.483 1
1 546 . 2 1 1 A 46 46 SER N N 43 112.400 117.216 -4.816 1
1 547 . 2 1 1 A 47 47 ASN H H 44 7.990 9.459 -1.469 1
1 548 . 2 1 1 A 47 47 ASN HA H 44 4.940 4.848 0.092 1
1 553 . 2 1 1 A 47 47 ASN C C 44 175.800 174.677 1.123 1
1 554 . 2 1 1 A 47 47 ASN CA C 44 53.800 53.503 0.297 1
1 555 . 2 1 1 A 47 47 ASN CB C 44 40.600 38.958 1.642 1
1 556 . 2 1 1 A 47 47 ASN N N 44 117.800 122.574 -4.774 1
1 558 . 2 1 1 A 48 48 ILE H H 45 8.190 7.575 0.615 1
1 559 . 2 1 1 A 48 48 ILE HA H 45 4.100 4.504 -0.404 1
1 569 . 2 1 1 A 48 48 ILE C C 45 175.200 174.100 1.100 1
1 570 . 2 1 1 A 48 48 ILE CA C 45 59.400 60.315 -0.915 1
1 571 . 2 1 1 A 48 48 ILE CB C 45 36.500 40.670 -4.170 1
1 575 . 2 1 1 A 48 48 ILE N N 45 118.300 119.830 -1.530 1
1 576 . 2 1 1 A 49 49 ASP H H 46 8.720 8.916 -0.196 1
1 577 . 2 1 1 A 49 49 ASP HA H 46 4.530 4.702 -0.172 1
1 580 . 2 1 1 A 49 49 ASP CA C 46 51.400 51.528 -0.128 1
1 581 . 2 1 1 A 49 49 ASP CB C 46 42.900 42.045 0.855 1
1 582 . 2 1 1 A 49 49 ASP N N 46 128.600 127.858 0.742 1
1 583 . 2 1 1 A 50 50 PRO HA H 47 4.500 4.414 0.086 1
1 590 . 2 1 1 A 50 50 PRO C C 47 177.800 177.064 0.736 1
1 591 . 2 1 1 A 50 50 PRO CA C 47 63.700 63.429 0.271 1
1 592 . 2 1 1 A 50 50 PRO CB C 47 32.200 32.275 -0.075 1
1 595 . 2 1 1 A 51 51 PHE H H 48 9.270 7.929 1.341 1
1 596 . 2 1 1 A 51 51 PHE HA H 48 3.980 4.214 -0.234 1
1 601 . 2 1 1 A 51 51 PHE C C 48 177.100 177.551 -0.451 1
1 602 . 2 1 1 A 51 51 PHE CA C 48 61.400 60.304 1.096 1
1 603 . 2 1 1 A 51 51 PHE CB C 48 37.900 39.952 -2.052 1
1 606 . 2 1 1 A 51 51 PHE N N 48 121.800 116.397 5.403 1
1 607 . 2 1 1 A 52 52 PHE H H 49 7.440 8.142 -0.702 1
1 608 . 2 1 1 A 52 52 PHE HA H 49 4.560 4.456 0.104 1
1 616 . 2 1 1 A 52 52 PHE C C 49 176.100 175.413 0.687 1
1 617 . 2 1 1 A 52 52 PHE CA C 49 58.300 60.177 -1.877 1
1 618 . 2 1 1 A 52 52 PHE CB C 49 42.000 40.180 1.820 1
1 624 . 2 1 1 A 52 52 PHE N N 49 114.500 119.775 -5.275 1
1 625 . 2 1 1 A 53 53 GLU H H 50 8.590 7.962 0.628 1
1 626 . 2 1 1 A 53 53 GLU HA H 50 3.780 4.320 -0.540 1
1 631 . 2 1 1 A 53 53 GLU C C 50 175.000 174.320 0.680 1
1 632 . 2 1 1 A 53 53 GLU CA C 50 57.300 57.246 0.054 1
1 633 . 2 1 1 A 53 53 GLU CB C 50 27.100 26.974 0.126 1
1 635 . 2 1 1 A 53 53 GLU N N 50 120.300 118.291 2.009 1
1 636 . 2 1 1 A 54 54 SER H H 51 7.100 8.362 -1.262 1
1 637 . 2 1 1 A 54 54 SER HA H 51 4.910 4.934 -0.024 1
1 640 . 2 1 1 A 54 54 SER CA C 51 56.500 56.785 -0.285 1
1 641 . 2 1 1 A 54 54 SER CB C 51 66.100 65.013 1.087 1
1 642 . 2 1 1 A 54 54 SER N N 51 110.300 114.307 -4.007 1
1 643 . 2 1 1 A 55 55 SER HA H 52 4.550 4.501 0.049 1
1 646 . 2 1 1 A 55 55 SER C C 52 173.500 174.162 -0.662 1
1 647 . 2 1 1 A 55 55 SER CA C 52 56.700 59.170 -2.470 1
1 648 . 2 1 1 A 55 55 SER CB C 52 62.100 63.278 -1.178 1
1 649 . 2 1 1 A 56 56 VAL H H 53 7.590 7.726 -0.136 1
1 650 . 2 1 1 A 56 56 VAL HA H 53 4.900 4.225 0.675 1
1 658 . 2 1 1 A 56 56 VAL C C 53 176.800 175.904 0.896 1
1 659 . 2 1 1 A 56 56 VAL CA C 53 61.300 62.097 -0.797 1
1 660 . 2 1 1 A 56 56 VAL CB C 53 36.200 32.210 3.990 1
1 663 . 2 1 1 A 56 56 VAL N N 53 117.400 117.153 0.247 1
1 664 . 2 1 1 A 57 57 LEU H H 54 8.690 8.680 0.010 1
1 665 . 2 1 1 A 57 57 LEU HA H 54 3.930 4.513 -0.583 1
1 675 . 2 1 1 A 57 57 LEU C C 54 179.500 178.288 1.212 1
1 676 . 2 1 1 A 57 57 LEU CA C 54 60.000 55.464 4.536 1
1 677 . 2 1 1 A 57 57 LEU CB C 54 40.800 42.030 -1.230 1
1 681 . 2 1 1 A 57 57 LEU N N 54 121.100 126.680 -5.580 1
1 682 . 2 1 1 A 58 58 SER H H 55 9.750 8.085 1.665 1
1 683 . 2 1 1 A 58 58 SER HA H 55 3.800 4.342 -0.542 1
1 686 . 2 1 1 A 58 58 SER C C 55 174.100 175.854 -1.754 1
1 687 . 2 1 1 A 58 58 SER CA C 55 61.600 61.165 0.435 1
1 688 . 2 1 1 A 58 58 SER CB C 55 61.900 62.856 -0.956 1
1 689 . 2 1 1 A 58 58 SER N N 55 113.400 114.753 -1.353 1
1 690 . 2 1 1 A 59 59 ARG H H 56 7.510 7.894 -0.384 1
1 691 . 2 1 1 A 59 59 ARG HA H 56 4.560 4.542 0.018 1
1 698 . 2 1 1 A 59 59 ARG C C 56 177.500 175.133 2.367 1
1 699 . 2 1 1 A 59 59 ARG CA C 56 55.400 55.935 -0.535 1
1 700 . 2 1 1 A 59 59 ARG CB C 56 30.400 29.698 0.702 1
1 703 . 2 1 1 A 59 59 ARG N N 56 118.400 117.503 0.897 1
1 704 . 2 1 1 A 60 60 GLY H H 57 8.550 7.902 0.648 1
1 705 . 2 1 1 A 60 60 GLY HA2 H 57 4.020 4.326 -0.306 1
1 706 . 2 1 1 A 60 60 GLY HA3 H 57 4.020 4.355 -0.335 1
1 707 . 2 1 1 A 60 60 GLY C C 57 171.200 172.929 -1.729 1
1 708 . 2 1 1 A 60 60 GLY CA C 57 45.400 44.382 1.018 1
1 709 . 2 1 1 A 60 60 GLY N N 57 108.600 108.269 0.331 1
1 710 . 2 1 1 A 61 61 LEU H H 58 7.740 8.916 -1.176 1
1 711 . 2 1 1 A 61 61 LEU HA H 58 4.640 5.019 -0.379 1
1 721 . 2 1 1 A 61 61 LEU C C 58 177.000 175.767 1.233 1
1 722 . 2 1 1 A 61 61 LEU CA C 58 54.200 53.383 0.817 1
1 723 . 2 1 1 A 61 61 LEU CB C 58 43.700 43.497 0.203 1
1 727 . 2 1 1 A 61 61 LEU N N 58 119.100 117.495 1.605 1
1 728 . 2 1 1 A 62 62 ILE H H 59 8.780 8.737 0.043 1
1 729 . 2 1 1 A 62 62 ILE HA H 59 4.660 4.756 -0.096 1
1 739 . 2 1 1 A 62 62 ILE C C 59 175.500 174.874 0.626 1
1 740 . 2 1 1 A 62 62 ILE CA C 59 60.600 60.692 -0.092 1
1 741 . 2 1 1 A 62 62 ILE CB C 59 38.700 38.880 -0.180 1
1 745 . 2 1 1 A 62 62 ILE N N 59 126.500 122.941 3.559 1
1 746 . 2 1 1 A 63 63 ALA H H 60 9.110 9.197 -0.087 1
1 747 . 2 1 1 A 63 63 ALA HA H 60 4.590 5.209 -0.619 1
1 751 . 2 1 1 A 63 63 ALA C C 60 175.000 174.819 0.181 1
1 752 . 2 1 1 A 63 63 ALA CA C 60 51.300 50.048 1.252 1
1 753 . 2 1 1 A 63 63 ALA CB C 60 23.100 24.143 -1.043 1
1 754 . 2 1 1 A 63 63 ALA N N 60 129.300 129.519 -0.219 1
1 755 . 2 1 1 A 64 64 GLU H H 61 8.460 8.721 -0.261 1
1 756 . 2 1 1 A 64 64 GLU HA H 61 5.070 4.801 0.269 1
1 761 . 2 1 1 A 64 64 GLU C C 61 176.000 176.145 -0.145 1
1 762 . 2 1 1 A 64 64 GLU CA C 61 55.100 54.899 0.201 1
1 763 . 2 1 1 A 64 64 GLU CB C 61 31.200 31.311 -0.111 1
1 765 . 2 1 1 A 64 64 GLU N N 61 121.500 119.791 1.709 1
1 766 . 2 1 1 A 65 65 HIS H H 62 9.310 9.201 0.109 1
1 767 . 2 1 1 A 65 65 HIS HA H 62 4.740 4.459 0.281 1
1 772 . 2 1 1 A 65 65 HIS CA C 62 56.400 58.049 -1.649 1
1 773 . 2 1 1 A 65 65 HIS CB C 62 32.600 30.928 1.672 1
1 776 . 2 1 1 A 65 65 HIS N N 62 123.500 126.837 -3.337 1
1 777 . 2 1 1 A 66 66 GLN HA H 63 3.870 4.427 -0.557 1
1 784 . 2 1 1 A 66 66 GLN C C 63 176.000 175.692 0.308 1
1 785 . 2 1 1 A 66 66 GLN CA C 63 56.600 54.781 1.819 1
1 786 . 2 1 1 A 66 66 GLN CB C 63 26.800 29.498 -2.698 1
1 790 . 2 1 1 A 67 67 GLY H H 64 8.970 8.379 0.591 1
1 791 . 2 1 1 A 67 67 GLY HA2 H 64 3.680 3.915 -0.235 1
1 792 . 2 1 1 A 67 67 GLY HA3 H 64 4.140 3.921 0.219 1
1 793 . 2 1 1 A 67 67 GLY C C 64 173.800 173.413 0.387 1
1 794 . 2 1 1 A 67 67 GLY CA C 64 45.600 45.662 -0.062 1
1 795 . 2 1 1 A 67 67 GLY N N 64 104.200 111.710 -7.510 1
1 796 . 2 1 1 A 68 68 GLU H H 65 7.850 8.049 -0.199 1
1 797 . 2 1 1 A 68 68 GLU HA H 65 4.810 4.935 -0.125 1
1 802 . 2 1 1 A 68 68 GLU C C 65 174.400 175.127 -0.727 1
1 803 . 2 1 1 A 68 68 GLU CA C 65 54.100 54.465 -0.365 1
1 804 . 2 1 1 A 68 68 GLU CB C 65 34.000 33.841 0.159 1
1 806 . 2 1 1 A 68 68 GLU N N 65 118.800 119.677 -0.877 1
1 807 . 2 1 1 A 69 69 LEU H H 66 8.030 8.704 -0.674 1
1 808 . 2 1 1 A 69 69 LEU HA H 66 4.920 5.129 -0.209 1
1 818 . 2 1 1 A 69 69 LEU C C 66 177.100 176.010 1.090 1
1 819 . 2 1 1 A 69 69 LEU CA C 66 54.300 53.541 0.759 1
1 820 . 2 1 1 A 69 69 LEU CB C 66 44.500 42.652 1.848 1
1 824 . 2 1 1 A 69 69 LEU N N 66 119.000 122.851 -3.851 1
1 825 . 2 1 1 A 70 70 TRP H H 67 8.980 9.574 -0.594 1
1 826 . 2 1 1 A 70 70 TRP HA H 67 5.140 5.410 -0.270 1
1 835 . 2 1 1 A 70 70 TRP C C 67 174.400 175.049 -0.649 1
1 836 . 2 1 1 A 70 70 TRP CA C 67 55.100 55.802 -0.702 1
1 837 . 2 1 1 A 70 70 TRP CB C 67 31.800 33.454 -1.654 1
1 843 . 2 1 1 A 70 70 TRP N N 67 122.200 124.509 -2.309 1
1 845 . 2 1 1 A 71 71 VAL H H 68 9.490 9.347 0.143 1
1 846 . 2 1 1 A 71 71 VAL HA H 68 4.990 4.992 -0.002 1
1 854 . 2 1 1 A 71 71 VAL C C 68 173.000 174.218 -1.218 1
1 855 . 2 1 1 A 71 71 VAL CA C 68 58.500 60.462 -1.962 1
1 856 . 2 1 1 A 71 71 VAL CB C 68 34.300 33.471 0.829 1
1 859 . 2 1 1 A 71 71 VAL N N 68 120.900 123.854 -2.954 1
1 860 . 2 1 1 A 72 72 ALA H H 69 8.550 9.292 -0.742 1
1 861 . 2 1 1 A 72 72 ALA HA H 69 5.280 5.101 0.179 1
1 865 . 2 1 1 A 72 72 ALA C C 69 178.000 176.017 1.983 1
1 866 . 2 1 1 A 72 72 ALA CA C 69 49.200 50.410 -1.210 1
1 867 . 2 1 1 A 72 72 ALA CB C 69 19.700 20.264 -0.564 1
1 868 . 2 1 1 A 72 72 ALA N N 69 130.000 132.111 -2.111 1
1 869 . 2 1 1 A 73 73 SER H H 70 9.470 9.340 0.130 1
1 870 . 2 1 1 A 73 73 SER HA H 70 4.540 4.797 -0.257 1
1 873 . 2 1 1 A 73 73 SER CA C 70 55.700 56.167 -0.467 1
1 874 . 2 1 1 A 73 73 SER CB C 70 64.400 63.614 0.786 1
1 875 . 2 1 1 A 73 73 SER N N 70 118.100 121.477 -3.377 1
1 876 . 2 1 1 A 74 74 PRO HA H 71 4.540 4.462 0.078 1
1 883 . 2 1 1 A 74 74 PRO C C 71 176.700 177.733 -1.033 1
1 884 . 2 1 1 A 74 74 PRO CA C 71 64.000 64.035 -0.035 1
1 885 . 2 1 1 A 74 74 PRO CB C 71 32.300 31.708 0.592 1
1 888 . 2 1 1 A 75 75 LEU H H 72 7.850 8.191 -0.341 1
1 889 . 2 1 1 A 75 75 LEU HA H 72 4.330 4.024 0.306 1
1 899 . 2 1 1 A 75 75 LEU CA C 72 56.200 57.419 -1.219 1
1 900 . 2 1 1 A 75 75 LEU CB C 72 38.500 41.935 -3.435 1
1 904 . 2 1 1 A 75 75 LEU N N 72 119.300 118.839 0.461 1
1 905 . 2 1 1 A 76 76 LYS HA H 73 4.470 4.479 -0.009 1
1 914 . 2 1 1 A 76 76 LYS C C 73 176.600 175.988 0.612 1
1 915 . 2 1 1 A 76 76 LYS CA C 73 54.600 57.206 -2.606 1
1 916 . 2 1 1 A 76 76 LYS CB C 73 31.700 33.172 -1.472 1
1 920 . 2 1 1 A 77 77 LYS H H 74 7.240 7.729 -0.489 1
1 921 . 2 1 1 A 77 77 LYS HA H 74 4.440 4.402 0.038 1
1 930 . 2 1 1 A 77 77 LYS C C 74 175.500 175.470 0.030 1
1 931 . 2 1 1 A 77 77 LYS CA C 74 57.800 55.185 2.615 1
1 932 . 2 1 1 A 77 77 LYS CB C 74 28.600 33.199 -4.599 1
1 936 . 2 1 1 A 77 77 LYS N N 74 110.900 121.133 -10.233 1
1 937 . 2 1 1 A 78 78 GLN H H 75 8.080 7.412 0.668 1
1 938 . 2 1 1 A 78 78 GLN HA H 75 4.030 4.299 -0.269 1
1 945 . 2 1 1 A 78 78 GLN C C 75 174.500 174.793 -0.293 1
1 946 . 2 1 1 A 78 78 GLN CA C 75 58.400 55.551 2.849 1
1 947 . 2 1 1 A 78 78 GLN CB C 75 27.400 29.456 -2.056 1
1 949 . 2 1 1 A 78 78 GLN N N 75 119.100 120.480 -1.380 1
1 951 . 2 1 1 A 79 79 ARG H H 76 9.800 8.812 0.988 1
1 952 . 2 1 1 A 79 79 ARG HA H 76 5.310 4.962 0.348 1
1 960 . 2 1 1 A 79 79 ARG C C 76 175.800 174.742 1.058 1
1 961 . 2 1 1 A 79 79 ARG CA C 76 55.300 55.120 0.180 1
1 962 . 2 1 1 A 79 79 ARG CB C 76 33.100 31.290 1.810 1
1 965 . 2 1 1 A 79 79 ARG N N 76 122.800 124.037 -1.237 1
1 967 . 2 1 1 A 80 80 PHE H H 77 9.220 9.515 -0.295 1
1 968 . 2 1 1 A 80 80 PHE HA H 77 5.630 4.806 0.824 1
1 976 . 2 1 1 A 80 80 PHE C C 77 175.300 174.967 0.333 1
1 977 . 2 1 1 A 80 80 PHE CA C 77 55.800 57.244 -1.444 1
1 978 . 2 1 1 A 80 80 PHE CB C 77 41.300 40.890 0.410 1
1 984 . 2 1 1 A 80 80 PHE N N 77 119.400 123.358 -3.958 1
1 985 . 2 1 1 A 81 81 ARG H H 78 9.870 8.291 1.579 1
1 986 . 2 1 1 A 81 81 ARG HA H 78 3.490 3.387 0.103 1
1 996 . 2 1 1 A 81 81 ARG C C 78 177.400 175.436 1.964 1
1 997 . 2 1 1 A 81 81 ARG CA C 78 58.100 55.678 2.422 1
1 998 . 2 1 1 A 81 81 ARG CB C 78 30.500 29.345 1.155 1
1 1001 . 2 1 1 A 81 81 ARG N N 78 130.100 124.702 5.398 1
1 1004 . 2 1 1 A 82 82 LEU H H 79 7.860 8.286 -0.426 1
1 1005 . 2 1 1 A 82 82 LEU HA H 79 3.790 3.944 -0.154 1
1 1015 . 2 1 1 A 82 82 LEU C C 79 177.500 178.150 -0.650 1
1 1016 . 2 1 1 A 82 82 LEU CA C 79 57.600 56.952 0.648 1
1 1017 . 2 1 1 A 82 82 LEU CB C 79 39.600 41.187 -1.587 1
1 1021 . 2 1 1 A 82 82 LEU N N 79 125.300 126.793 -1.493 1
1 1022 . 2 1 1 A 83 83 SER H H 80 8.000 7.514 0.486 1
1 1023 . 2 1 1 A 83 83 SER HA H 80 4.200 3.876 0.324 1
1 1026 . 2 1 1 A 83 83 SER C C 80 176.600 174.349 2.251 1
1 1027 . 2 1 1 A 83 83 SER CA C 80 60.100 60.011 0.089 1
1 1028 . 2 1 1 A 83 83 SER CB C 80 62.500 63.147 -0.647 1
1 1029 . 2 1 1 A 83 83 SER N N 80 109.700 111.952 -2.252 1
1 1030 . 2 1 1 A 84 84 ASP H H 81 7.100 7.573 -0.473 1
1 1031 . 2 1 1 A 84 84 ASP HA H 81 4.090 4.617 -0.527 1
1 1034 . 2 1 1 A 84 84 ASP C C 81 175.900 175.917 -0.017 1
1 1035 . 2 1 1 A 84 84 ASP CA C 81 53.500 55.468 -1.968 1
1 1036 . 2 1 1 A 84 84 ASP CB C 81 41.900 42.981 -1.081 1
1 1037 . 2 1 1 A 84 84 ASP N N 81 117.300 120.236 -2.936 1
1 1038 . 2 1 1 A 85 85 GLY H H 82 8.860 7.596 1.264 1
1 1039 . 2 1 1 A 85 85 GLY HA2 H 82 3.590 3.966 -0.376 1
1 1040 . 2 1 1 A 85 85 GLY HA3 H 82 4.810 3.990 0.820 1
1 1041 . 2 1 1 A 85 85 GLY C C 82 173.700 174.520 -0.820 1
1 1042 . 2 1 1 A 85 85 GLY CA C 82 45.900 45.105 0.795 1
1 1043 . 2 1 1 A 85 85 GLY N N 82 111.300 107.208 4.092 1
1 1044 . 2 1 1 A 86 86 LEU H H 83 7.430 7.607 -0.177 1
1 1045 . 2 1 1 A 86 86 LEU HA H 83 4.290 4.434 -0.144 1
1 1055 . 2 1 1 A 86 86 LEU C C 83 176.600 175.821 0.779 1
1 1056 . 2 1 1 A 86 86 LEU CA C 83 56.200 55.866 0.334 1
1 1057 . 2 1 1 A 86 86 LEU CB C 83 43.100 42.587 0.513 1
1 1061 . 2 1 1 A 86 86 LEU N N 83 120.800 122.538 -1.738 1
1 1062 . 2 1 1 A 87 87 CYS H H 84 8.080 8.824 -0.744 1
1 1063 . 2 1 1 A 87 87 CYS HA H 84 5.290 4.714 0.576 1
1 1066 . 2 1 1 A 87 87 CYS C C 84 175.300 175.552 -0.252 1
1 1067 . 2 1 1 A 87 87 CYS CA C 84 56.600 58.837 -2.237 1
1 1068 . 2 1 1 A 87 87 CYS CB C 84 27.800 29.316 -1.516 1
1 1069 . 2 1 1 A 87 87 CYS N N 84 126.300 126.247 0.053 1
1 1070 . 2 1 1 A 88 88 MET H H 85 8.760 9.384 -0.624 1
1 1071 . 2 1 1 A 88 88 MET HA H 85 3.630 4.231 -0.601 1
1 1079 . 2 1 1 A 88 88 MET C C 85 177.500 177.605 -0.105 1
1 1080 . 2 1 1 A 88 88 MET CA C 85 58.800 58.047 0.753 1
1 1081 . 2 1 1 A 88 88 MET CB C 85 33.800 32.309 1.491 1
1 1084 . 2 1 1 A 88 88 MET N N 85 130.500 126.595 3.905 1
1 1085 . 2 1 1 A 89 89 GLU H H 86 9.160 7.265 1.895 1
1 1086 . 2 1 1 A 89 89 GLU HA H 86 3.770 4.251 -0.481 1
1 1091 . 2 1 1 A 89 89 GLU C C 86 177.500 178.039 -0.539 1
1 1092 . 2 1 1 A 89 89 GLU CA C 86 60.900 58.473 2.427 1
1 1093 . 2 1 1 A 89 89 GLU CB C 86 29.300 30.378 -1.078 1
1 1095 . 2 1 1 A 89 89 GLU N N 86 119.200 118.892 0.308 1
1 1096 . 2 1 1 A 90 90 ASP H H 87 7.080 7.667 -0.587 1
1 1097 . 2 1 1 A 90 90 ASP HA H 87 4.590 4.853 -0.263 1
1 1100 . 2 1 1 A 90 90 ASP CA C 87 54.700 54.332 0.368 1
1 1101 . 2 1 1 A 90 90 ASP CB C 87 41.800 41.469 0.331 1
1 1102 . 2 1 1 A 90 90 ASP N N 87 115.800 118.624 -2.824 1
1 1103 . 2 1 1 A 91 91 GLU H H 88 9.340 8.405 0.935 1
1 1104 . 2 1 1 A 91 91 GLU HA H 88 4.290 4.166 0.124 1
1 1109 . 2 1 1 A 91 91 GLU C C 88 178.900 178.556 0.344 1
1 1110 . 2 1 1 A 91 91 GLU CA C 88 59.000 59.383 -0.383 1
1 1111 . 2 1 1 A 91 91 GLU CB C 88 29.100 29.024 0.076 1
1 1113 . 2 1 1 A 91 91 GLU N N 88 127.400 119.652 7.748 1
1 1114 . 2 1 1 A 92 92 GLN H H 89 8.920 8.055 0.865 1
1 1115 . 2 1 1 A 92 92 GLN HA H 89 4.170 3.930 0.240 1
1 1122 . 2 1 1 A 92 92 GLN C C 89 176.600 177.209 -0.609 1
1 1123 . 2 1 1 A 92 92 GLN CA C 89 57.800 58.346 -0.546 1
1 1124 . 2 1 1 A 92 92 GLN CB C 89 28.400 28.262 0.138 1
1 1127 . 2 1 1 A 92 92 GLN N N 89 120.400 119.794 0.606 1
1 1129 . 2 1 1 A 93 93 PHE H H 90 8.150 8.335 -0.185 1
1 1130 . 2 1 1 A 93 93 PHE HA H 90 4.430 4.430 0.000 1
1 1138 . 2 1 1 A 93 93 PHE C C 90 172.600 176.151 -3.551 1
1 1139 . 2 1 1 A 93 93 PHE CA C 90 57.800 58.975 -1.175 1
1 1140 . 2 1 1 A 93 93 PHE CB C 90 39.300 39.787 -0.487 1
1 1146 . 2 1 1 A 93 93 PHE N N 90 119.700 115.020 4.680 1
1 1147 . 2 1 1 A 94 94 SER H H 91 7.020 7.735 -0.715 1
1 1148 . 2 1 1 A 94 94 SER HA H 91 4.870 4.701 0.169 1
1 1152 . 2 1 1 A 94 94 SER C C 91 174.100 174.320 -0.220 1
1 1153 . 2 1 1 A 94 94 SER CA C 91 60.900 60.107 0.793 1
1 1154 . 2 1 1 A 94 94 SER CB C 91 63.600 62.258 1.342 1
1 1155 . 2 1 1 A 94 94 SER N N 91 112.700 112.209 0.491 1
1 1156 . 2 1 1 A 95 95 VAL H H 92 9.120 8.600 0.520 1
1 1157 . 2 1 1 A 95 95 VAL HA H 92 4.810 4.867 -0.057 1
1 1165 . 2 1 1 A 95 95 VAL C C 92 175.700 174.784 0.916 1
1 1166 . 2 1 1 A 95 95 VAL CA C 92 59.200 60.681 -1.481 1
1 1167 . 2 1 1 A 95 95 VAL CB C 92 35.700 33.869 1.831 1
1 1170 . 2 1 1 A 95 95 VAL N N 92 116.900 120.308 -3.408 1
1 1171 . 2 1 1 A 96 96 LYS H H 93 8.390 8.371 0.019 1
1 1172 . 2 1 1 A 96 96 LYS HA H 93 4.010 4.944 -0.934 1
1 1181 . 2 1 1 A 96 96 LYS C C 93 174.800 174.949 -0.149 1
1 1182 . 2 1 1 A 96 96 LYS CA C 93 57.700 54.748 2.952 1
1 1183 . 2 1 1 A 96 96 LYS CB C 93 34.000 33.930 0.070 1
1 1187 . 2 1 1 A 96 96 LYS N N 93 120.300 122.441 -2.141 1
1 1188 . 2 1 1 A 97 97 HIS H H 94 8.030 8.650 -0.620 1
1 1189 . 2 1 1 A 97 97 HIS HA H 94 5.060 5.443 -0.383 1
1 1194 . 2 1 1 A 97 97 HIS C C 94 172.600 172.824 -0.224 1
1 1195 . 2 1 1 A 97 97 HIS CA C 94 54.700 54.327 0.373 1
1 1196 . 2 1 1 A 97 97 HIS CB C 94 31.400 33.219 -1.819 1
1 1199 . 2 1 1 A 97 97 HIS N N 94 121.000 126.168 -5.168 1
1 1200 . 2 1 1 A 98 98 TYR H H 95 7.610 9.483 -1.873 1
1 1201 . 2 1 1 A 98 98 TYR HA H 95 4.410 4.873 -0.463 1
1 1208 . 2 1 1 A 98 98 TYR C C 95 173.600 175.117 -1.517 1
1 1209 . 2 1 1 A 98 98 TYR CA C 95 56.400 56.656 -0.256 1
1 1210 . 2 1 1 A 98 98 TYR CB C 95 40.900 42.064 -1.164 1
1 1215 . 2 1 1 A 98 98 TYR N N 95 121.800 124.691 -2.891 1
1 1216 . 2 1 1 A 99 99 GLU H H 96 8.480 8.871 -0.391 1
1 1217 . 2 1 1 A 99 99 GLU HA H 96 4.420 4.826 -0.406 1
1 1222 . 2 1 1 A 99 99 GLU C C 96 174.300 175.649 -1.349 1
1 1223 . 2 1 1 A 99 99 GLU CA C 96 56.600 55.559 1.041 1
1 1224 . 2 1 1 A 99 99 GLU CB C 96 30.700 31.066 -0.366 1
1 1226 . 2 1 1 A 99 99 GLU N N 96 122.200 121.359 0.841 1
1 1227 . 2 1 1 A 100 100 ALA H H 97 8.420 9.085 -0.665 1
1 1228 . 2 1 1 A 100 100 ALA HA H 97 5.940 6.082 -0.142 1
1 1232 . 2 1 1 A 100 100 ALA C C 97 176.100 175.900 0.200 1
1 1233 . 2 1 1 A 100 100 ALA CA C 97 50.400 50.213 0.187 1
1 1234 . 2 1 1 A 100 100 ALA CB C 97 23.700 22.933 0.767 1
1 1235 . 2 1 1 A 100 100 ALA N N 97 124.100 126.965 -2.865 1
1 1236 . 2 1 1 A 101 101 ARG H H 98 9.000 9.112 -0.112 1
1 1237 . 2 1 1 A 101 101 ARG HA H 98 4.640 5.052 -0.412 1
1 1245 . 2 1 1 A 101 101 ARG C C 98 172.100 173.831 -1.731 1
1 1246 . 2 1 1 A 101 101 ARG CA C 98 54.200 54.184 0.016 1
1 1247 . 2 1 1 A 101 101 ARG CB C 98 32.800 33.877 -1.077 1
1 1250 . 2 1 1 A 101 101 ARG N N 98 118.400 117.772 0.628 1
1 1252 . 2 1 1 A 102 102 VAL H H 99 8.330 8.504 -0.174 1
1 1253 . 2 1 1 A 102 102 VAL HA H 99 4.720 4.833 -0.113 1
1 1261 . 2 1 1 A 102 102 VAL C C 99 175.200 174.269 0.931 1
1 1262 . 2 1 1 A 102 102 VAL CA C 99 61.100 61.773 -0.673 1
1 1263 . 2 1 1 A 102 102 VAL CB C 99 32.700 32.508 0.192 1
1 1266 . 2 1 1 A 102 102 VAL N N 99 119.500 122.217 -2.717 1
1 1267 . 2 1 1 A 103 103 LYS H H 100 9.070 9.439 -0.369 1
1 1268 . 2 1 1 A 103 103 LYS HA H 100 4.460 4.594 -0.134 1
1 1277 . 2 1 1 A 103 103 LYS C C 100 175.700 175.304 0.396 1
1 1278 . 2 1 1 A 103 103 LYS CA C 100 54.300 55.288 -0.988 1
1 1279 . 2 1 1 A 103 103 LYS CB C 100 34.800 34.844 -0.044 1
1 1283 . 2 1 1 A 103 103 LYS N N 100 130.200 127.305 2.895 1
1 1284 . 2 1 1 A 104 104 ASP H H 101 9.560 9.448 0.112 1
1 1285 . 2 1 1 A 104 104 ASP HA H 101 4.210 4.348 -0.138 1
1 1288 . 2 1 1 A 104 104 ASP C C 101 175.800 176.292 -0.492 1
1 1289 . 2 1 1 A 104 104 ASP CA C 101 55.500 55.284 0.216 1
1 1290 . 2 1 1 A 104 104 ASP CB C 101 39.700 39.290 0.410 1
1 1291 . 2 1 1 A 104 104 ASP N N 101 130.600 128.182 2.418 1
1 1292 . 2 1 1 A 105 105 GLY H H 102 8.260 8.626 -0.366 1
1 1293 . 2 1 1 A 105 105 GLY HA2 H 102 3.450 3.840 -0.390 1
1 1294 . 2 1 1 A 105 105 GLY HA3 H 102 4.170 3.843 0.327 1
1 1295 . 2 1 1 A 105 105 GLY C C 102 173.300 173.844 -0.544 1
1 1296 . 2 1 1 A 105 105 GLY CA C 102 45.300 45.741 -0.441 1
1 1297 . 2 1 1 A 105 105 GLY N N 102 101.900 105.121 -3.221 1
1 1298 . 2 1 1 A 106 106 VAL H H 103 7.900 7.851 0.049 1
1 1299 . 2 1 1 A 106 106 VAL HA H 103 4.270 4.473 -0.203 1
1 1307 . 2 1 1 A 106 106 VAL C C 103 175.100 174.920 0.180 1
1 1308 . 2 1 1 A 106 106 VAL CA C 103 62.100 60.752 1.348 1
1 1309 . 2 1 1 A 106 106 VAL CB C 103 34.100 34.377 -0.277 1
1 1312 . 2 1 1 A 106 106 VAL N N 103 123.800 120.740 3.060 1
1 1313 . 2 1 1 A 107 107 VAL H H 104 9.290 9.411 -0.121 1
1 1314 . 2 1 1 A 107 107 VAL HA H 104 4.220 4.471 -0.251 1
1 1322 . 2 1 1 A 107 107 VAL C C 104 174.300 175.478 -1.178 1
1 1323 . 2 1 1 A 107 107 VAL CA C 104 62.700 62.947 -0.247 1
1 1324 . 2 1 1 A 107 107 VAL CB C 104 31.500 31.354 0.146 1
1 1327 . 2 1 1 A 107 107 VAL N N 104 127.300 127.910 -0.610 1
1 1328 . 2 1 1 A 108 108 GLN H H 105 9.410 9.245 0.165 1
1 1329 . 2 1 1 A 108 108 GLN HA H 105 5.720 5.479 0.241 1
1 1336 . 2 1 1 A 108 108 GLN C C 105 174.900 174.759 0.141 1
1 1337 . 2 1 1 A 108 108 GLN CA C 105 53.400 54.471 -1.071 1
1 1338 . 2 1 1 A 108 108 GLN CB C 105 34.600 32.067 2.533 1
1 1341 . 2 1 1 A 108 108 GLN N N 105 126.500 127.355 -0.855 1
1 1343 . 2 1 1 A 109 109 LEU H H 106 8.530 9.204 -0.674 1
1 1344 . 2 1 1 A 109 109 LEU HA H 106 5.760 5.307 0.453 1
1 1354 . 2 1 1 A 109 109 LEU C C 106 176.300 175.079 1.221 1
1 1355 . 2 1 1 A 109 109 LEU CA C 106 52.800 53.311 -0.511 1
1 1356 . 2 1 1 A 109 109 LEU CB C 106 48.900 44.682 4.218 1
1 1360 . 2 1 1 A 109 109 LEU N N 106 118.900 124.043 -5.143 1
1 1361 . 2 1 1 A 110 110 ARG H H 107 8.310 9.253 -0.943 1
1 1362 . 2 1 1 A 110 110 ARG HA H 107 4.230 4.793 -0.563 1
1 1370 . 2 1 1 A 110 110 ARG C C 107 174.800 175.181 -0.381 1
1 1371 . 2 1 1 A 110 110 ARG CA C 107 55.700 53.877 1.823 1
1 1372 . 2 1 1 A 110 110 ARG CB C 107 31.900 32.277 -0.377 1
1 1375 . 2 1 1 A 110 110 ARG N N 107 119.900 123.553 -3.653 1
1 1377 . 2 1 1 A 111 111 GLY H H 108 8.390 8.358 0.032 1
1 1378 . 2 1 1 A 111 111 GLY HA2 H 108 3.880 4.172 -0.292 1
1 1379 . 2 1 1 A 111 111 GLY HA3 H 108 4.130 4.337 -0.207 1
1 1380 . 2 1 1 A 111 111 GLY C C 108 173.500 172.372 1.128 1
1 1381 . 2 1 1 A 111 111 GLY CA C 108 45.000 45.844 -0.844 1
1 1382 . 2 1 1 A 111 111 GLY N N 108 110.000 112.879 -2.879 1
1 1383 . 2 1 1 A 112 112 GLY H H 109 8.280 8.176 0.104 1
1 1384 . 2 1 1 A 112 112 GLY HA2 H 109 3.850 4.327 -0.477 1
1 1385 . 2 1 1 A 112 112 GLY HA3 H 109 3.950 4.357 -0.407 1
1 1386 . 2 1 1 A 112 112 GLY C C 109 173.200 172.282 0.918 1
1 1387 . 2 1 1 A 112 112 GLY CA C 109 45.100 45.831 -0.731 1
1 1388 . 2 1 1 A 112 112 GLY N N 109 108.400 110.714 -2.314 1
1 10 . 3 1 1 A 5 5 SER H H 2 8.360 8.160 0.200 1
1 11 . 3 1 1 A 5 5 SER HA H 2 4.400 4.830 -0.430 1
1 14 . 3 1 1 A 5 5 SER C C 2 174.100 172.748 1.352 1
1 15 . 3 1 1 A 5 5 SER CA C 2 58.200 57.016 1.184 1
1 16 . 3 1 1 A 5 5 SER CB C 2 63.700 65.436 -1.736 1
1 17 . 3 1 1 A 5 5 SER N N 2 117.000 109.747 7.253 1
1 18 . 3 1 1 A 6 6 GLN H H 3 8.280 8.892 -0.612 1
1 19 . 3 1 1 A 6 6 GLN HA H 3 4.320 4.770 -0.450 1
1 26 . 3 1 1 A 6 6 GLN C C 3 175.500 174.607 0.893 1
1 27 . 3 1 1 A 6 6 GLN CA C 3 55.400 54.535 0.865 1
1 28 . 3 1 1 A 6 6 GLN CB C 3 30.100 28.804 1.296 1
1 31 . 3 1 1 A 6 6 GLN N N 3 121.800 124.977 -3.177 1
1 33 . 3 1 1 A 7 7 TRP H H 4 8.170 8.973 -0.803 1
1 34 . 3 1 1 A 7 7 TRP HA H 4 4.470 5.102 -0.632 1
1 43 . 3 1 1 A 7 7 TRP C C 4 176.200 175.705 0.495 1
1 44 . 3 1 1 A 7 7 TRP CA C 4 57.600 56.480 1.120 1
1 45 . 3 1 1 A 7 7 TRP CB C 4 30.300 28.749 1.551 1
1 51 . 3 1 1 A 7 7 TRP N N 4 122.300 126.691 -4.391 1
1 53 . 3 1 1 A 8 8 LYS H H 5 9.370 8.745 0.625 1
1 54 . 3 1 1 A 8 8 LYS HA H 5 4.690 4.568 0.122 1
1 63 . 3 1 1 A 8 8 LYS C C 5 175.600 175.810 -0.210 1
1 64 . 3 1 1 A 8 8 LYS CA C 5 54.200 56.060 -1.860 1
1 65 . 3 1 1 A 8 8 LYS CB C 5 34.700 33.322 1.378 1
1 69 . 3 1 1 A 8 8 LYS N N 5 125.100 126.576 -1.476 1
1 70 . 3 1 1 A 9 9 ASP H H 6 8.730 8.732 -0.002 1
1 71 . 3 1 1 A 9 9 ASP HA H 6 4.500 4.943 -0.443 1
1 74 . 3 1 1 A 9 9 ASP C C 6 176.200 175.870 0.330 1
1 75 . 3 1 1 A 9 9 ASP CA C 6 55.400 54.230 1.170 1
1 76 . 3 1 1 A 9 9 ASP CB C 6 40.700 40.711 -0.011 1
1 77 . 3 1 1 A 9 9 ASP N N 6 125.400 126.301 -0.901 1
1 78 . 3 1 1 A 10 10 ILE H H 7 9.300 9.663 -0.363 1
1 79 . 3 1 1 A 10 10 ILE HA H 7 4.300 4.086 0.214 1
1 89 . 3 1 1 A 10 10 ILE C C 7 175.500 176.310 -0.810 1
1 90 . 3 1 1 A 10 10 ILE CA C 7 60.000 62.986 -2.986 1
1 91 . 3 1 1 A 10 10 ILE CB C 7 37.700 37.894 -0.194 1
1 95 . 3 1 1 A 10 10 ILE N N 7 122.900 123.730 -0.830 1
1 96 . 3 1 1 A 11 11 CYS H H 8 7.510 7.738 -0.228 1
1 97 . 3 1 1 A 11 11 CYS HA H 8 4.880 4.802 0.078 1
1 100 . 3 1 1 A 11 11 CYS C C 8 172.300 172.869 -0.569 1
1 101 . 3 1 1 A 11 11 CYS CA C 8 55.700 56.833 -1.133 1
1 102 . 3 1 1 A 11 11 CYS CB C 8 28.800 30.853 -2.053 1
1 103 . 3 1 1 A 11 11 CYS N N 8 111.400 116.036 -4.636 1
1 104 . 3 1 1 A 12 12 LYS H H 9 8.920 8.599 0.321 1
1 105 . 3 1 1 A 12 12 LYS HA H 9 4.880 4.160 0.720 1
1 114 . 3 1 1 A 12 12 LYS C C 9 179.400 177.778 1.622 1
1 115 . 3 1 1 A 12 12 LYS CA C 9 55.700 56.493 -0.793 1
1 116 . 3 1 1 A 12 12 LYS CB C 9 32.100 33.636 -1.536 1
1 120 . 3 1 1 A 12 12 LYS N N 9 120.100 123.173 -3.073 1
1 121 . 3 1 1 A 13 13 ILE H H 10 8.640 9.167 -0.527 1
1 122 . 3 1 1 A 13 13 ILE HA H 10 3.990 3.941 0.049 1
1 132 . 3 1 1 A 13 13 ILE C C 10 174.900 177.808 -2.908 1
1 133 . 3 1 1 A 13 13 ILE CA C 10 61.000 63.372 -2.372 1
1 134 . 3 1 1 A 13 13 ILE CB C 10 37.800 38.146 -0.346 1
1 138 . 3 1 1 A 13 13 ILE N N 10 123.700 128.082 -4.382 1
1 139 . 3 1 1 A 14 14 ASP H H 11 7.600 8.163 -0.563 1
1 140 . 3 1 1 A 14 14 ASP HA H 11 4.350 4.506 -0.156 1
1 143 . 3 1 1 A 14 14 ASP C C 11 176.500 178.209 -1.709 1
1 144 . 3 1 1 A 14 14 ASP CA C 11 55.400 57.154 -1.754 1
1 145 . 3 1 1 A 14 14 ASP CB C 11 40.400 40.639 -0.239 1
1 146 . 3 1 1 A 14 14 ASP N N 11 115.800 121.708 -5.908 1
1 147 . 3 1 1 A 15 15 ASP H H 12 7.600 8.026 -0.426 1
1 148 . 3 1 1 A 15 15 ASP HA H 12 4.490 4.400 0.090 1
1 151 . 3 1 1 A 15 15 ASP C C 12 175.600 175.750 -0.150 1
1 152 . 3 1 1 A 15 15 ASP CA C 12 55.500 55.757 -0.257 1
1 153 . 3 1 1 A 15 15 ASP CB C 12 40.900 41.123 -0.223 1
1 154 . 3 1 1 A 15 15 ASP N N 12 116.800 118.983 -2.183 1
1 155 . 3 1 1 A 16 16 ILE H H 13 7.700 7.762 -0.062 1
1 156 . 3 1 1 A 16 16 ILE HA H 13 4.000 4.262 -0.262 1
1 166 . 3 1 1 A 16 16 ILE C C 13 174.100 174.910 -0.810 1
1 167 . 3 1 1 A 16 16 ILE CA C 13 60.500 60.668 -0.168 1
1 168 . 3 1 1 A 16 16 ILE CB C 13 38.200 38.734 -0.534 1
1 172 . 3 1 1 A 16 16 ILE N N 13 120.900 118.641 2.259 1
1 173 . 3 1 1 A 17 17 LEU H H 14 7.970 8.789 -0.819 1
1 174 . 3 1 1 A 17 17 LEU HA H 14 4.370 4.506 -0.136 1
1 184 . 3 1 1 A 17 17 LEU CA C 14 53.800 53.577 0.223 1
1 185 . 3 1 1 A 17 17 LEU CB C 14 40.500 40.737 -0.237 1
1 189 . 3 1 1 A 17 17 LEU N N 14 127.800 129.376 -1.576 1
1 190 . 3 1 1 A 18 18 PRO HA H 15 4.080 4.208 -0.128 1
1 197 . 3 1 1 A 18 18 PRO C C 15 175.700 176.650 -0.950 1
1 198 . 3 1 1 A 18 18 PRO CA C 15 64.300 63.411 0.889 1
1 199 . 3 1 1 A 18 18 PRO CB C 15 31.600 31.622 -0.022 1
1 202 . 3 1 1 A 19 19 GLU H H 16 8.930 8.531 0.399 1
1 203 . 3 1 1 A 19 19 GLU HA H 16 3.660 3.881 -0.221 1
1 208 . 3 1 1 A 19 19 GLU C C 16 175.500 174.897 0.603 1
1 209 . 3 1 1 A 19 19 GLU CA C 16 58.300 57.696 0.604 1
1 210 . 3 1 1 A 19 19 GLU CB C 16 27.300 28.306 -1.006 1
1 212 . 3 1 1 A 19 19 GLU N N 16 113.700 115.849 -2.149 1
1 213 . 3 1 1 A 20 20 THR H H 17 7.790 7.388 0.402 1
1 214 . 3 1 1 A 20 20 THR HA H 17 5.080 4.876 0.204 1
1 220 . 3 1 1 A 20 20 THR C C 17 172.100 173.233 -1.133 1
1 221 . 3 1 1 A 20 20 THR CA C 17 60.700 59.684 1.016 1
1 222 . 3 1 1 A 20 20 THR CB C 17 73.100 71.730 1.370 1
1 224 . 3 1 1 A 20 20 THR N N 17 110.000 113.530 -3.530 1
1 225 . 3 1 1 A 21 21 GLY H H 18 8.080 8.739 -0.659 1
1 226 . 3 1 1 A 21 21 GLY HA2 H 18 3.070 4.065 -0.995 1
1 227 . 3 1 1 A 21 21 GLY HA3 H 18 5.270 4.070 1.200 1
1 228 . 3 1 1 A 21 21 GLY C C 18 173.400 172.398 1.002 1
1 229 . 3 1 1 A 21 21 GLY CA C 18 44.600 44.457 0.143 1
1 230 . 3 1 1 A 21 21 GLY N N 18 103.700 112.902 -9.202 1
1 231 . 3 1 1 A 22 22 VAL H H 19 8.520 9.180 -0.660 1
1 232 . 3 1 1 A 22 22 VAL HA H 19 4.570 4.981 -0.411 1
1 240 . 3 1 1 A 22 22 VAL C C 19 172.900 174.048 -1.148 1
1 241 . 3 1 1 A 22 22 VAL CA C 19 58.900 58.872 0.028 1
1 242 . 3 1 1 A 22 22 VAL CB C 19 35.900 35.509 0.391 1
1 245 . 3 1 1 A 22 22 VAL N N 19 112.900 118.616 -5.716 1
1 246 . 3 1 1 A 23 23 CYS H H 20 8.290 9.031 -0.741 1
1 247 . 3 1 1 A 23 23 CYS HA H 20 5.250 5.421 -0.171 1
1 250 . 3 1 1 A 23 23 CYS C C 20 173.500 173.098 0.402 1
1 251 . 3 1 1 A 23 23 CYS CA C 20 56.300 56.757 -0.457 1
1 252 . 3 1 1 A 23 23 CYS CB C 20 27.600 30.817 -3.217 1
1 253 . 3 1 1 A 23 23 CYS N N 20 120.700 119.318 1.382 1
1 254 . 3 1 1 A 24 24 ALA H H 21 9.590 9.184 0.406 1
1 255 . 3 1 1 A 24 24 ALA HA H 21 4.580 4.808 -0.228 1
1 259 . 3 1 1 A 24 24 ALA C C 21 174.400 175.091 -0.691 1
1 260 . 3 1 1 A 24 24 ALA CA C 21 50.200 51.091 -0.891 1
1 261 . 3 1 1 A 24 24 ALA CB C 21 23.400 23.897 -0.497 1
1 262 . 3 1 1 A 24 24 ALA N N 21 132.500 123.450 9.050 1
1 263 . 3 1 1 A 25 25 LEU H H 22 8.100 8.619 -0.519 1
1 264 . 3 1 1 A 25 25 LEU HA H 22 4.860 4.988 -0.128 1
1 274 . 3 1 1 A 25 25 LEU C C 22 175.800 173.691 2.109 1
1 275 . 3 1 1 A 25 25 LEU CA C 22 53.800 53.727 0.073 1
1 276 . 3 1 1 A 25 25 LEU CB C 22 43.600 45.690 -2.090 1
1 280 . 3 1 1 A 25 25 LEU N N 22 120.700 120.324 0.376 1
1 281 . 3 1 1 A 26 26 LEU H H 23 8.660 8.461 0.199 1
1 282 . 3 1 1 A 26 26 LEU HA H 23 4.410 4.622 -0.212 1
1 292 . 3 1 1 A 26 26 LEU C C 23 176.600 176.645 -0.045 1
1 293 . 3 1 1 A 26 26 LEU CA C 23 53.100 53.171 -0.071 1
1 294 . 3 1 1 A 26 26 LEU CB C 23 43.400 43.804 -0.404 1
1 298 . 3 1 1 A 26 26 LEU N N 23 125.800 127.130 -1.330 1
1 299 . 3 1 1 A 27 27 GLY H H 24 8.910 8.927 -0.017 1
1 300 . 3 1 1 A 27 27 GLY HA2 H 24 3.560 3.830 -0.270 1
1 301 . 3 1 1 A 27 27 GLY HA3 H 24 4.000 3.836 0.164 1
1 302 . 3 1 1 A 27 27 GLY C C 24 173.800 174.248 -0.448 1
1 303 . 3 1 1 A 27 27 GLY CA C 24 47.300 47.320 -0.020 1
1 304 . 3 1 1 A 27 27 GLY N N 24 118.300 116.516 1.784 1
1 305 . 3 1 1 A 28 28 ASP H H 25 8.800 8.274 0.526 1
1 306 . 3 1 1 A 28 28 ASP HA H 25 4.690 4.700 -0.010 1
1 309 . 3 1 1 A 28 28 ASP C C 25 176.100 175.463 0.637 1
1 310 . 3 1 1 A 28 28 ASP CA C 25 53.900 54.522 -0.622 1
1 311 . 3 1 1 A 28 28 ASP CB C 25 41.300 43.361 -2.061 1
1 312 . 3 1 1 A 28 28 ASP N N 25 126.600 125.722 0.878 1
1 313 . 3 1 1 A 29 29 GLU H H 26 8.100 7.558 0.542 1
1 314 . 3 1 1 A 29 29 GLU HA H 26 4.440 4.750 -0.310 1
1 319 . 3 1 1 A 29 29 GLU C C 26 174.800 175.947 -1.147 1
1 320 . 3 1 1 A 29 29 GLU CA C 26 55.800 54.752 1.048 1
1 321 . 3 1 1 A 29 29 GLU CB C 26 30.600 31.587 -0.987 1
1 323 . 3 1 1 A 29 29 GLU N N 26 120.400 117.406 2.994 1
1 324 . 3 1 1 A 30 30 GLN H H 27 8.640 8.599 0.041 1
1 325 . 3 1 1 A 30 30 GLN HA H 27 4.510 4.749 -0.239 1
1 332 . 3 1 1 A 30 30 GLN C C 27 175.800 174.877 0.923 1
1 333 . 3 1 1 A 30 30 GLN CA C 27 55.700 55.460 0.240 1
1 334 . 3 1 1 A 30 30 GLN CB C 27 29.300 30.394 -1.094 1
1 336 . 3 1 1 A 30 30 GLN N N 27 121.300 120.476 0.824 1
1 338 . 3 1 1 A 31 31 VAL H H 28 9.280 9.053 0.227 1
1 339 . 3 1 1 A 31 31 VAL HA H 28 4.040 4.810 -0.770 1
1 347 . 3 1 1 A 31 31 VAL C C 28 172.900 174.233 -1.333 1
1 348 . 3 1 1 A 31 31 VAL CA C 28 61.900 60.726 1.174 1
1 349 . 3 1 1 A 31 31 VAL CB C 28 34.800 34.197 0.603 1
1 352 . 3 1 1 A 31 31 VAL N N 28 128.600 124.163 4.437 1
1 353 . 3 1 1 A 32 32 ALA H H 29 9.440 9.400 0.040 1
1 354 . 3 1 1 A 32 32 ALA HA H 29 4.680 5.021 -0.341 1
1 358 . 3 1 1 A 32 32 ALA C C 29 175.200 175.507 -0.307 1
1 359 . 3 1 1 A 32 32 ALA CA C 29 50.500 50.147 0.353 1
1 360 . 3 1 1 A 32 32 ALA CB C 29 20.200 20.522 -0.322 1
1 361 . 3 1 1 A 32 32 ALA N N 29 130.400 128.497 1.903 1
1 362 . 3 1 1 A 33 33 ILE H H 30 8.590 9.063 -0.473 1
1 363 . 3 1 1 A 33 33 ILE HA H 30 4.680 4.777 -0.097 1
1 373 . 3 1 1 A 33 33 ILE C C 30 174.800 174.460 0.340 1
1 374 . 3 1 1 A 33 33 ILE CA C 30 59.900 60.258 -0.358 1
1 375 . 3 1 1 A 33 33 ILE CB C 30 39.300 39.017 0.283 1
1 379 . 3 1 1 A 33 33 ILE N N 30 120.600 124.261 -3.661 1
1 380 . 3 1 1 A 34 34 PHE H H 31 9.430 9.523 -0.093 1
1 381 . 3 1 1 A 34 34 PHE HA H 31 5.070 5.204 -0.134 1
1 386 . 3 1 1 A 34 34 PHE C C 31 174.800 174.496 0.304 1
1 387 . 3 1 1 A 34 34 PHE CA C 31 57.200 56.569 0.631 1
1 388 . 3 1 1 A 34 34 PHE CB C 31 43.400 41.600 1.800 1
1 391 . 3 1 1 A 34 34 PHE N N 31 121.800 126.202 -4.402 1
1 392 . 3 1 1 A 35 35 ARG H H 32 8.450 9.193 -0.743 1
1 393 . 3 1 1 A 35 35 ARG HA H 32 5.470 5.056 0.414 1
1 403 . 3 1 1 A 35 35 ARG CA C 32 52.000 52.567 -0.567 1
1 404 . 3 1 1 A 35 35 ARG CB C 32 33.200 31.525 1.675 1
1 407 . 3 1 1 A 35 35 ARG N N 32 123.000 124.486 -1.486 1
1 410 . 3 1 1 A 36 36 PRO HA H 33 3.910 4.537 -0.627 1
1 417 . 3 1 1 A 36 36 PRO C C 33 174.300 176.028 -1.728 1
1 418 . 3 1 1 A 36 36 PRO CA C 33 64.600 65.253 -0.653 1
1 419 . 3 1 1 A 36 36 PRO CB C 33 32.800 32.238 0.562 1
1 422 . 3 1 1 A 37 37 TYR H H 34 9.000 7.972 1.028 1
1 423 . 3 1 1 A 37 37 TYR HA H 34 5.250 4.846 0.404 1
1 430 . 3 1 1 A 37 37 TYR C C 34 175.000 176.492 -1.492 1
1 431 . 3 1 1 A 37 37 TYR CA C 34 54.200 57.813 -3.613 1
1 432 . 3 1 1 A 37 37 TYR CB C 34 41.000 40.134 0.866 1
1 437 . 3 1 1 A 37 37 TYR N N 34 115.500 118.265 -2.765 1
1 438 . 3 1 1 A 38 38 HIS H H 35 8.700 8.993 -0.293 1
1 439 . 3 1 1 A 38 38 HIS HA H 35 4.490 4.629 -0.139 1
1 444 . 3 1 1 A 38 38 HIS C C 35 175.800 175.436 0.364 1
1 445 . 3 1 1 A 38 38 HIS CA C 35 56.400 58.396 -1.996 1
1 446 . 3 1 1 A 38 38 HIS CB C 35 28.600 29.616 -1.016 1
1 449 . 3 1 1 A 38 38 HIS N N 35 119.000 122.163 -3.163 1
1 450 . 3 1 1 A 39 39 SER H H 36 7.890 7.914 -0.024 1
1 451 . 3 1 1 A 39 39 SER HA H 36 4.770 4.589 0.181 1
1 454 . 3 1 1 A 39 39 SER C C 36 173.800 173.908 -0.108 1
1 455 . 3 1 1 A 39 39 SER CA C 36 57.000 57.504 -0.504 1
1 456 . 3 1 1 A 39 39 SER CB C 36 64.700 64.829 -0.129 1
1 457 . 3 1 1 A 39 39 SER N N 36 115.500 114.251 1.249 1
1 458 . 3 1 1 A 40 40 ASP H H 37 8.540 8.623 -0.083 1
1 459 . 3 1 1 A 40 40 ASP HA H 37 4.540 4.854 -0.314 1
1 462 . 3 1 1 A 40 40 ASP C C 37 174.700 175.023 -0.323 1
1 463 . 3 1 1 A 40 40 ASP CA C 37 53.800 53.995 -0.195 1
1 464 . 3 1 1 A 40 40 ASP CB C 37 39.600 41.226 -1.626 1
1 465 . 3 1 1 A 40 40 ASP N N 37 119.400 121.003 -1.603 1
1 466 . 3 1 1 A 41 41 GLN H H 38 7.490 7.650 -0.160 1
1 467 . 3 1 1 A 41 41 GLN HA H 38 4.140 4.577 -0.437 1
1 474 . 3 1 1 A 41 41 GLN C C 38 175.500 175.369 0.131 1
1 475 . 3 1 1 A 41 41 GLN CA C 38 57.100 55.512 1.588 1
1 476 . 3 1 1 A 41 41 GLN CB C 38 29.400 29.135 0.265 1
1 479 . 3 1 1 A 41 41 GLN N N 38 118.700 118.176 0.524 1
1 481 . 3 1 1 A 42 42 VAL H H 39 7.800 8.762 -0.962 1
1 482 . 3 1 1 A 42 42 VAL HA H 39 5.600 5.104 0.496 1
1 490 . 3 1 1 A 42 42 VAL C C 39 174.200 174.255 -0.055 1
1 491 . 3 1 1 A 42 42 VAL CA C 39 58.200 59.578 -1.378 1
1 492 . 3 1 1 A 42 42 VAL CB C 39 36.500 35.056 1.444 1
1 495 . 3 1 1 A 42 42 VAL N N 39 116.100 117.731 -1.631 1
1 496 . 3 1 1 A 43 43 PHE H H 40 8.480 9.598 -1.118 1
1 497 . 3 1 1 A 43 43 PHE HA H 40 4.870 5.394 -0.524 1
1 504 . 3 1 1 A 43 43 PHE C C 40 173.900 175.034 -1.134 1
1 505 . 3 1 1 A 43 43 PHE CA C 40 56.800 56.387 0.413 1
1 506 . 3 1 1 A 43 43 PHE CB C 40 45.300 43.189 2.111 1
1 511 . 3 1 1 A 43 43 PHE N N 40 117.200 121.477 -4.277 1
1 512 . 3 1 1 A 44 44 ALA H H 41 9.520 9.030 0.490 1
1 513 . 3 1 1 A 44 44 ALA HA H 41 6.200 5.777 0.423 1
1 517 . 3 1 1 A 44 44 ALA C C 41 176.300 176.197 0.103 1
1 518 . 3 1 1 A 44 44 ALA CA C 41 50.900 50.535 0.365 1
1 519 . 3 1 1 A 44 44 ALA CB C 41 24.100 21.798 2.302 1
1 520 . 3 1 1 A 44 44 ALA N N 41 125.100 123.733 1.367 1
1 521 . 3 1 1 A 45 45 ILE H H 42 8.970 9.125 -0.155 1
1 522 . 3 1 1 A 45 45 ILE HA H 42 5.580 5.229 0.351 1
1 532 . 3 1 1 A 45 45 ILE C C 42 174.600 175.215 -0.615 1
1 533 . 3 1 1 A 45 45 ILE CA C 42 59.300 58.956 0.344 1
1 534 . 3 1 1 A 45 45 ILE CB C 42 44.300 41.917 2.383 1
1 538 . 3 1 1 A 45 45 ILE N N 42 117.100 118.158 -1.058 1
1 539 . 3 1 1 A 46 46 SER H H 43 8.460 8.673 -0.213 1
1 540 . 3 1 1 A 46 46 SER HA H 43 4.350 4.676 -0.326 1
1 543 . 3 1 1 A 46 46 SER C C 43 172.100 174.603 -2.503 1
1 544 . 3 1 1 A 46 46 SER CA C 43 59.500 59.131 0.369 1
1 545 . 3 1 1 A 46 46 SER CB C 43 64.900 63.774 1.126 1
1 546 . 3 1 1 A 46 46 SER N N 43 112.400 119.018 -6.618 1
1 547 . 3 1 1 A 47 47 ASN H H 44 7.990 8.924 -0.934 1
1 548 . 3 1 1 A 47 47 ASN HA H 44 4.940 4.825 0.115 1
1 553 . 3 1 1 A 47 47 ASN C C 44 175.800 175.049 0.751 1
1 554 . 3 1 1 A 47 47 ASN CA C 44 53.800 53.618 0.182 1
1 555 . 3 1 1 A 47 47 ASN CB C 44 40.600 39.127 1.473 1
1 556 . 3 1 1 A 47 47 ASN N N 44 117.800 121.920 -4.120 1
1 558 . 3 1 1 A 48 48 ILE H H 45 8.190 7.573 0.617 1
1 559 . 3 1 1 A 48 48 ILE HA H 45 4.100 4.838 -0.738 1
1 569 . 3 1 1 A 48 48 ILE C C 45 175.200 174.431 0.769 1
1 570 . 3 1 1 A 48 48 ILE CA C 45 59.400 60.119 -0.719 1
1 571 . 3 1 1 A 48 48 ILE CB C 45 36.500 39.411 -2.911 1
1 575 . 3 1 1 A 48 48 ILE N N 45 118.300 120.992 -2.692 1
1 576 . 3 1 1 A 49 49 ASP H H 46 8.720 8.878 -0.158 1
1 577 . 3 1 1 A 49 49 ASP HA H 46 4.530 5.115 -0.585 1
1 580 . 3 1 1 A 49 49 ASP CA C 46 51.400 51.742 -0.342 1
1 581 . 3 1 1 A 49 49 ASP CB C 46 42.900 42.653 0.247 1
1 582 . 3 1 1 A 49 49 ASP N N 46 128.600 127.897 0.703 1
1 583 . 3 1 1 A 50 50 PRO HA H 47 4.500 4.511 -0.011 1
1 590 . 3 1 1 A 50 50 PRO C C 47 177.800 177.219 0.581 1
1 591 . 3 1 1 A 50 50 PRO CA C 47 63.700 63.704 -0.004 1
1 592 . 3 1 1 A 50 50 PRO CB C 47 32.200 32.446 -0.246 1
1 595 . 3 1 1 A 51 51 PHE H H 48 9.270 8.089 1.181 1
1 596 . 3 1 1 A 51 51 PHE HA H 48 3.980 4.127 -0.147 1
1 601 . 3 1 1 A 51 51 PHE C C 48 177.100 176.728 0.372 1
1 602 . 3 1 1 A 51 51 PHE CA C 48 61.400 60.706 0.694 1
1 603 . 3 1 1 A 51 51 PHE CB C 48 37.900 38.992 -1.092 1
1 606 . 3 1 1 A 51 51 PHE N N 48 121.800 117.323 4.477 1
1 607 . 3 1 1 A 52 52 PHE H H 49 7.440 8.402 -0.962 1
1 608 . 3 1 1 A 52 52 PHE HA H 49 4.560 4.687 -0.127 1
1 616 . 3 1 1 A 52 52 PHE C C 49 176.100 174.535 1.565 1
1 617 . 3 1 1 A 52 52 PHE CA C 49 58.300 57.560 0.740 1
1 618 . 3 1 1 A 52 52 PHE CB C 49 42.000 39.289 2.711 1
1 624 . 3 1 1 A 52 52 PHE N N 49 114.500 115.184 -0.684 1
1 625 . 3 1 1 A 53 53 GLU H H 50 8.590 8.140 0.450 1
1 626 . 3 1 1 A 53 53 GLU HA H 50 3.780 4.180 -0.400 1
1 631 . 3 1 1 A 53 53 GLU C C 50 175.000 175.158 -0.158 1
1 632 . 3 1 1 A 53 53 GLU CA C 50 57.300 57.428 -0.128 1
1 633 . 3 1 1 A 53 53 GLU CB C 50 27.100 27.651 -0.551 1
1 635 . 3 1 1 A 53 53 GLU N N 50 120.300 115.904 4.396 1
1 636 . 3 1 1 A 54 54 SER H H 51 7.100 8.016 -0.916 1
1 637 . 3 1 1 A 54 54 SER HA H 51 4.910 4.703 0.207 1
1 640 . 3 1 1 A 54 54 SER CA C 51 56.500 58.533 -2.033 1
1 641 . 3 1 1 A 54 54 SER CB C 51 66.100 64.064 2.036 1
1 642 . 3 1 1 A 54 54 SER N N 51 110.300 115.524 -5.224 1
1 643 . 3 1 1 A 55 55 SER HA H 52 4.550 4.311 0.239 1
1 646 . 3 1 1 A 55 55 SER C C 52 173.500 174.576 -1.076 1
1 647 . 3 1 1 A 55 55 SER CA C 52 56.700 60.298 -3.598 1
1 648 . 3 1 1 A 55 55 SER CB C 52 62.100 63.339 -1.239 1
1 649 . 3 1 1 A 56 56 VAL H H 53 7.590 7.531 0.059 1
1 650 . 3 1 1 A 56 56 VAL HA H 53 4.900 4.478 0.422 1
1 658 . 3 1 1 A 56 56 VAL C C 53 176.800 175.978 0.822 1
1 659 . 3 1 1 A 56 56 VAL CA C 53 61.300 60.005 1.295 1
1 660 . 3 1 1 A 56 56 VAL CB C 53 36.200 34.731 1.469 1
1 663 . 3 1 1 A 56 56 VAL N N 53 117.400 116.865 0.535 1
1 664 . 3 1 1 A 57 57 LEU H H 54 8.690 8.964 -0.274 1
1 665 . 3 1 1 A 57 57 LEU HA H 54 3.930 4.472 -0.542 1
1 675 . 3 1 1 A 57 57 LEU C C 54 179.500 178.168 1.332 1
1 676 . 3 1 1 A 57 57 LEU CA C 54 60.000 55.546 4.454 1
1 677 . 3 1 1 A 57 57 LEU CB C 54 40.800 42.338 -1.538 1
1 681 . 3 1 1 A 57 57 LEU N N 54 121.100 125.689 -4.589 1
1 682 . 3 1 1 A 58 58 SER H H 55 9.750 8.212 1.538 1
1 683 . 3 1 1 A 58 58 SER HA H 55 3.800 4.248 -0.448 1
1 686 . 3 1 1 A 58 58 SER C C 55 174.100 175.231 -1.131 1
1 687 . 3 1 1 A 58 58 SER CA C 55 61.600 61.331 0.269 1
1 688 . 3 1 1 A 58 58 SER CB C 55 61.900 62.913 -1.013 1
1 689 . 3 1 1 A 58 58 SER N N 55 113.400 115.273 -1.873 1
1 690 . 3 1 1 A 59 59 ARG H H 56 7.510 7.714 -0.204 1
1 691 . 3 1 1 A 59 59 ARG HA H 56 4.560 4.532 0.028 1
1 698 . 3 1 1 A 59 59 ARG C C 56 177.500 175.298 2.202 1
1 699 . 3 1 1 A 59 59 ARG CA C 56 55.400 55.127 0.273 1
1 700 . 3 1 1 A 59 59 ARG CB C 56 30.400 29.799 0.601 1
1 703 . 3 1 1 A 59 59 ARG N N 56 118.400 119.640 -1.240 1
1 704 . 3 1 1 A 60 60 GLY H H 57 8.550 7.918 0.632 1
1 705 . 3 1 1 A 60 60 GLY HA2 H 57 4.020 4.311 -0.291 1
1 706 . 3 1 1 A 60 60 GLY HA3 H 57 4.020 4.345 -0.325 1
1 707 . 3 1 1 A 60 60 GLY C C 57 171.200 172.944 -1.744 1
1 708 . 3 1 1 A 60 60 GLY CA C 57 45.400 44.192 1.208 1
1 709 . 3 1 1 A 60 60 GLY N N 57 108.600 108.968 -0.368 1
1 710 . 3 1 1 A 61 61 LEU H H 58 7.740 8.457 -0.717 1
1 711 . 3 1 1 A 61 61 LEU HA H 58 4.640 5.036 -0.396 1
1 721 . 3 1 1 A 61 61 LEU C C 58 177.000 175.913 1.087 1
1 722 . 3 1 1 A 61 61 LEU CA C 58 54.200 53.358 0.842 1
1 723 . 3 1 1 A 61 61 LEU CB C 58 43.700 43.560 0.140 1
1 727 . 3 1 1 A 61 61 LEU N N 58 119.100 118.395 0.705 1
1 728 . 3 1 1 A 62 62 ILE H H 59 8.780 8.757 0.023 1
1 729 . 3 1 1 A 62 62 ILE HA H 59 4.660 4.574 0.086 1
1 739 . 3 1 1 A 62 62 ILE C C 59 175.500 174.634 0.866 1
1 740 . 3 1 1 A 62 62 ILE CA C 59 60.600 60.807 -0.207 1
1 741 . 3 1 1 A 62 62 ILE CB C 59 38.700 37.797 0.903 1
1 745 . 3 1 1 A 62 62 ILE N N 59 126.500 122.697 3.803 1
1 746 . 3 1 1 A 63 63 ALA H H 60 9.110 9.298 -0.188 1
1 747 . 3 1 1 A 63 63 ALA HA H 60 4.590 5.326 -0.736 1
1 751 . 3 1 1 A 63 63 ALA C C 60 175.000 176.027 -1.027 1
1 752 . 3 1 1 A 63 63 ALA CA C 60 51.300 50.241 1.059 1
1 753 . 3 1 1 A 63 63 ALA CB C 60 23.100 21.717 1.383 1
1 754 . 3 1 1 A 63 63 ALA N N 60 129.300 130.484 -1.184 1
1 755 . 3 1 1 A 64 64 GLU H H 61 8.460 9.028 -0.568 1
1 756 . 3 1 1 A 64 64 GLU HA H 61 5.070 4.854 0.216 1
1 761 . 3 1 1 A 64 64 GLU C C 61 176.000 175.313 0.687 1
1 762 . 3 1 1 A 64 64 GLU CA C 61 55.100 56.832 -1.732 1
1 763 . 3 1 1 A 64 64 GLU CB C 61 31.200 30.700 0.500 1
1 765 . 3 1 1 A 64 64 GLU N N 61 121.500 124.327 -2.827 1
1 766 . 3 1 1 A 65 65 HIS H H 62 9.310 9.506 -0.196 1
1 767 . 3 1 1 A 65 65 HIS HA H 62 4.740 4.939 -0.199 1
1 772 . 3 1 1 A 65 65 HIS CA C 62 56.400 54.324 2.076 1
1 773 . 3 1 1 A 65 65 HIS CB C 62 32.600 32.284 0.316 1
1 776 . 3 1 1 A 65 65 HIS N N 62 123.500 124.686 -1.186 1
1 777 . 3 1 1 A 66 66 GLN HA H 63 3.870 3.939 -0.069 1
1 784 . 3 1 1 A 66 66 GLN C C 63 176.000 176.036 -0.036 1
1 785 . 3 1 1 A 66 66 GLN CA C 63 56.600 57.053 -0.453 1
1 786 . 3 1 1 A 66 66 GLN CB C 63 26.800 26.771 0.029 1
1 790 . 3 1 1 A 67 67 GLY H H 64 8.970 8.905 0.065 1
1 791 . 3 1 1 A 67 67 GLY HA2 H 64 3.680 3.937 -0.257 1
1 792 . 3 1 1 A 67 67 GLY HA3 H 64 4.140 3.942 0.198 1
1 793 . 3 1 1 A 67 67 GLY C C 64 173.800 173.855 -0.055 1
1 794 . 3 1 1 A 67 67 GLY CA C 64 45.600 45.203 0.397 1
1 795 . 3 1 1 A 67 67 GLY N N 64 104.200 105.781 -1.581 1
1 796 . 3 1 1 A 68 68 GLU H H 65 7.850 7.926 -0.076 1
1 797 . 3 1 1 A 68 68 GLU HA H 65 4.810 4.567 0.243 1
1 802 . 3 1 1 A 68 68 GLU C C 65 174.400 175.780 -1.380 1
1 803 . 3 1 1 A 68 68 GLU CA C 65 54.100 55.081 -0.981 1
1 804 . 3 1 1 A 68 68 GLU CB C 65 34.000 31.226 2.774 1
1 806 . 3 1 1 A 68 68 GLU N N 65 118.800 120.175 -1.375 1
1 807 . 3 1 1 A 69 69 LEU H H 66 8.030 7.943 0.087 1
1 808 . 3 1 1 A 69 69 LEU HA H 66 4.920 4.661 0.259 1
1 818 . 3 1 1 A 69 69 LEU C C 66 177.100 175.233 1.867 1
1 819 . 3 1 1 A 69 69 LEU CA C 66 54.300 53.643 0.657 1
1 820 . 3 1 1 A 69 69 LEU CB C 66 44.500 41.579 2.921 1
1 824 . 3 1 1 A 69 69 LEU N N 66 119.000 123.105 -4.105 1
1 825 . 3 1 1 A 70 70 TRP H H 67 8.980 8.756 0.224 1
1 826 . 3 1 1 A 70 70 TRP HA H 67 5.140 5.603 -0.463 1
1 835 . 3 1 1 A 70 70 TRP C C 67 174.400 175.326 -0.926 1
1 836 . 3 1 1 A 70 70 TRP CA C 67 55.100 55.301 -0.201 1
1 837 . 3 1 1 A 70 70 TRP CB C 67 31.800 31.733 0.067 1
1 843 . 3 1 1 A 70 70 TRP N N 67 122.200 125.622 -3.422 1
1 845 . 3 1 1 A 71 71 VAL H H 68 9.490 9.228 0.262 1
1 846 . 3 1 1 A 71 71 VAL HA H 68 4.990 4.858 0.132 1
1 854 . 3 1 1 A 71 71 VAL C C 68 173.000 174.327 -1.327 1
1 855 . 3 1 1 A 71 71 VAL CA C 68 58.500 60.243 -1.743 1
1 856 . 3 1 1 A 71 71 VAL CB C 68 34.300 33.080 1.220 1
1 859 . 3 1 1 A 71 71 VAL N N 68 120.900 124.396 -3.496 1
1 860 . 3 1 1 A 72 72 ALA H H 69 8.550 9.324 -0.774 1
1 861 . 3 1 1 A 72 72 ALA HA H 69 5.280 5.671 -0.391 1
1 865 . 3 1 1 A 72 72 ALA C C 69 178.000 176.013 1.987 1
1 866 . 3 1 1 A 72 72 ALA CA C 69 49.200 50.200 -1.000 1
1 867 . 3 1 1 A 72 72 ALA CB C 69 19.700 20.551 -0.851 1
1 868 . 3 1 1 A 72 72 ALA N N 69 130.000 131.762 -1.762 1
1 869 . 3 1 1 A 73 73 SER H H 70 9.470 9.169 0.301 1
1 870 . 3 1 1 A 73 73 SER HA H 70 4.540 4.749 -0.209 1
1 873 . 3 1 1 A 73 73 SER CA C 70 55.700 56.158 -0.458 1
1 874 . 3 1 1 A 73 73 SER CB C 70 64.400 63.657 0.743 1
1 875 . 3 1 1 A 73 73 SER N N 70 118.100 120.795 -2.695 1
1 876 . 3 1 1 A 74 74 PRO HA H 71 4.540 4.461 0.079 1
1 883 . 3 1 1 A 74 74 PRO C C 71 176.700 177.600 -0.900 1
1 884 . 3 1 1 A 74 74 PRO CA C 71 64.000 63.830 0.170 1
1 885 . 3 1 1 A 74 74 PRO CB C 71 32.300 31.856 0.444 1
1 888 . 3 1 1 A 75 75 LEU H H 72 7.850 8.134 -0.284 1
1 889 . 3 1 1 A 75 75 LEU HA H 72 4.330 3.979 0.351 1
1 899 . 3 1 1 A 75 75 LEU CA C 72 56.200 57.243 -1.043 1
1 900 . 3 1 1 A 75 75 LEU CB C 72 38.500 41.977 -3.477 1
1 904 . 3 1 1 A 75 75 LEU N N 72 119.300 118.457 0.843 1
1 905 . 3 1 1 A 76 76 LYS HA H 73 4.470 4.441 0.029 1
1 914 . 3 1 1 A 76 76 LYS C C 73 176.600 175.686 0.914 1
1 915 . 3 1 1 A 76 76 LYS CA C 73 54.600 57.635 -3.035 1
1 916 . 3 1 1 A 76 76 LYS CB C 73 31.700 34.198 -2.498 1
1 920 . 3 1 1 A 77 77 LYS H H 74 7.240 7.487 -0.247 1
1 921 . 3 1 1 A 77 77 LYS HA H 74 4.440 4.638 -0.198 1
1 930 . 3 1 1 A 77 77 LYS C C 74 175.500 174.827 0.673 1
1 931 . 3 1 1 A 77 77 LYS CA C 74 57.800 55.917 1.883 1
1 932 . 3 1 1 A 77 77 LYS CB C 74 28.600 33.046 -4.446 1
1 936 . 3 1 1 A 77 77 LYS N N 74 110.900 118.034 -7.134 1
1 937 . 3 1 1 A 78 78 GLN H H 75 8.080 8.362 -0.282 1
1 938 . 3 1 1 A 78 78 GLN HA H 75 4.030 4.943 -0.913 1
1 945 . 3 1 1 A 78 78 GLN C C 75 174.500 174.881 -0.381 1
1 946 . 3 1 1 A 78 78 GLN CA C 75 58.400 54.823 3.577 1
1 947 . 3 1 1 A 78 78 GLN CB C 75 27.400 31.588 -4.188 1
1 949 . 3 1 1 A 78 78 GLN N N 75 119.100 124.209 -5.109 1
1 951 . 3 1 1 A 79 79 ARG H H 76 9.800 8.599 1.201 1
1 952 . 3 1 1 A 79 79 ARG HA H 76 5.310 5.151 0.159 1
1 960 . 3 1 1 A 79 79 ARG C C 76 175.800 175.203 0.597 1
1 961 . 3 1 1 A 79 79 ARG CA C 76 55.300 54.906 0.394 1
1 962 . 3 1 1 A 79 79 ARG CB C 76 33.100 31.797 1.303 1
1 965 . 3 1 1 A 79 79 ARG N N 76 122.800 122.043 0.757 1
1 967 . 3 1 1 A 80 80 PHE H H 77 9.220 9.340 -0.120 1
1 968 . 3 1 1 A 80 80 PHE HA H 77 5.630 5.117 0.513 1
1 976 . 3 1 1 A 80 80 PHE C C 77 175.300 174.570 0.730 1
1 977 . 3 1 1 A 80 80 PHE CA C 77 55.800 56.539 -0.739 1
1 978 . 3 1 1 A 80 80 PHE CB C 77 41.300 42.384 -1.084 1
1 984 . 3 1 1 A 80 80 PHE N N 77 119.400 122.481 -3.081 1
1 985 . 3 1 1 A 81 81 ARG H H 78 9.870 9.374 0.496 1
1 986 . 3 1 1 A 81 81 ARG HA H 78 3.490 3.856 -0.366 1
1 996 . 3 1 1 A 81 81 ARG C C 78 177.400 175.759 1.641 1
1 997 . 3 1 1 A 81 81 ARG CA C 78 58.100 55.225 2.875 1
1 998 . 3 1 1 A 81 81 ARG CB C 78 30.500 29.462 1.038 1
1 1001 . 3 1 1 A 81 81 ARG N N 78 130.100 124.545 5.555 1
1 1004 . 3 1 1 A 82 82 LEU H H 79 7.860 8.403 -0.543 1
1 1005 . 3 1 1 A 82 82 LEU HA H 79 3.790 3.940 -0.150 1
1 1015 . 3 1 1 A 82 82 LEU C C 79 177.500 178.263 -0.763 1
1 1016 . 3 1 1 A 82 82 LEU CA C 79 57.600 57.695 -0.095 1
1 1017 . 3 1 1 A 82 82 LEU CB C 79 39.600 41.245 -1.645 1
1 1021 . 3 1 1 A 82 82 LEU N N 79 125.300 126.564 -1.264 1
1 1022 . 3 1 1 A 83 83 SER H H 80 8.000 7.709 0.291 1
1 1023 . 3 1 1 A 83 83 SER HA H 80 4.200 3.359 0.841 1
1 1026 . 3 1 1 A 83 83 SER C C 80 176.600 174.697 1.903 1
1 1027 . 3 1 1 A 83 83 SER CA C 80 60.100 61.331 -1.231 1
1 1028 . 3 1 1 A 83 83 SER CB C 80 62.500 62.700 -0.200 1
1 1029 . 3 1 1 A 83 83 SER N N 80 109.700 113.654 -3.954 1
1 1030 . 3 1 1 A 84 84 ASP H H 81 7.100 7.475 -0.375 1
1 1031 . 3 1 1 A 84 84 ASP HA H 81 4.090 4.535 -0.445 1
1 1034 . 3 1 1 A 84 84 ASP C C 81 175.900 176.061 -0.161 1
1 1035 . 3 1 1 A 84 84 ASP CA C 81 53.500 53.825 -0.325 1
1 1036 . 3 1 1 A 84 84 ASP CB C 81 41.900 42.418 -0.518 1
1 1037 . 3 1 1 A 84 84 ASP N N 81 117.300 118.458 -1.158 1
1 1038 . 3 1 1 A 85 85 GLY H H 82 8.860 8.222 0.638 1
1 1039 . 3 1 1 A 85 85 GLY HA2 H 82 3.590 3.982 -0.392 1
1 1040 . 3 1 1 A 85 85 GLY HA3 H 82 4.810 4.033 0.777 1
1 1041 . 3 1 1 A 85 85 GLY C C 82 173.700 174.319 -0.619 1
1 1042 . 3 1 1 A 85 85 GLY CA C 82 45.900 44.797 1.103 1
1 1043 . 3 1 1 A 85 85 GLY N N 82 111.300 107.647 3.653 1
1 1044 . 3 1 1 A 86 86 LEU H H 83 7.430 7.744 -0.314 1
1 1045 . 3 1 1 A 86 86 LEU HA H 83 4.290 4.281 0.009 1
1 1055 . 3 1 1 A 86 86 LEU C C 83 176.600 175.401 1.199 1
1 1056 . 3 1 1 A 86 86 LEU CA C 83 56.200 55.407 0.793 1
1 1057 . 3 1 1 A 86 86 LEU CB C 83 43.100 42.630 0.470 1
1 1061 . 3 1 1 A 86 86 LEU N N 83 120.800 122.701 -1.901 1
1 1062 . 3 1 1 A 87 87 CYS H H 84 8.080 8.572 -0.492 1
1 1063 . 3 1 1 A 87 87 CYS HA H 84 5.290 4.819 0.471 1
1 1066 . 3 1 1 A 87 87 CYS C C 84 175.300 175.393 -0.093 1
1 1067 . 3 1 1 A 87 87 CYS CA C 84 56.600 57.542 -0.942 1
1 1068 . 3 1 1 A 87 87 CYS CB C 84 27.800 29.933 -2.133 1
1 1069 . 3 1 1 A 87 87 CYS N N 84 126.300 124.796 1.504 1
1 1070 . 3 1 1 A 88 88 MET H H 85 8.760 8.786 -0.026 1
1 1071 . 3 1 1 A 88 88 MET HA H 85 3.630 4.315 -0.685 1
1 1079 . 3 1 1 A 88 88 MET C C 85 177.500 177.885 -0.385 1
1 1080 . 3 1 1 A 88 88 MET CA C 85 58.800 58.335 0.465 1
1 1081 . 3 1 1 A 88 88 MET CB C 85 33.800 32.248 1.552 1
1 1084 . 3 1 1 A 88 88 MET N N 85 130.500 125.534 4.966 1
1 1085 . 3 1 1 A 89 89 GLU H H 86 9.160 8.239 0.921 1
1 1086 . 3 1 1 A 89 89 GLU HA H 86 3.770 4.142 -0.372 1
1 1091 . 3 1 1 A 89 89 GLU C C 86 177.500 177.257 0.243 1
1 1092 . 3 1 1 A 89 89 GLU CA C 86 60.900 58.859 2.041 1
1 1093 . 3 1 1 A 89 89 GLU CB C 86 29.300 29.347 -0.047 1
1 1095 . 3 1 1 A 89 89 GLU N N 86 119.200 118.139 1.061 1
1 1096 . 3 1 1 A 90 90 ASP H H 87 7.080 7.989 -0.909 1
1 1097 . 3 1 1 A 90 90 ASP HA H 87 4.590 4.879 -0.289 1
1 1100 . 3 1 1 A 90 90 ASP CA C 87 54.700 53.389 1.311 1
1 1101 . 3 1 1 A 90 90 ASP CB C 87 41.800 40.690 1.110 1
1 1102 . 3 1 1 A 90 90 ASP N N 87 115.800 120.006 -4.206 1
1 1103 . 3 1 1 A 91 91 GLU H H 88 9.340 8.478 0.862 1
1 1104 . 3 1 1 A 91 91 GLU HA H 88 4.290 4.317 -0.027 1
1 1109 . 3 1 1 A 91 91 GLU C C 88 178.900 178.294 0.606 1
1 1110 . 3 1 1 A 91 91 GLU CA C 88 59.000 59.362 -0.362 1
1 1111 . 3 1 1 A 91 91 GLU CB C 88 29.100 28.909 0.191 1
1 1113 . 3 1 1 A 91 91 GLU N N 88 127.400 119.146 8.254 1
1 1114 . 3 1 1 A 92 92 GLN H H 89 8.920 8.195 0.725 1
1 1115 . 3 1 1 A 92 92 GLN HA H 89 4.170 4.074 0.096 1
1 1122 . 3 1 1 A 92 92 GLN C C 89 176.600 177.515 -0.915 1
1 1123 . 3 1 1 A 92 92 GLN CA C 89 57.800 58.957 -1.157 1
1 1124 . 3 1 1 A 92 92 GLN CB C 89 28.400 28.506 -0.106 1
1 1127 . 3 1 1 A 92 92 GLN N N 89 120.400 119.096 1.304 1
1 1129 . 3 1 1 A 93 93 PHE H H 90 8.150 8.312 -0.162 1
1 1130 . 3 1 1 A 93 93 PHE HA H 90 4.430 4.672 -0.242 1
1 1138 . 3 1 1 A 93 93 PHE C C 90 172.600 175.256 -2.656 1
1 1139 . 3 1 1 A 93 93 PHE CA C 90 57.800 59.804 -2.004 1
1 1140 . 3 1 1 A 93 93 PHE CB C 90 39.300 40.887 -1.587 1
1 1146 . 3 1 1 A 93 93 PHE N N 90 119.700 121.897 -2.197 1
1 1147 . 3 1 1 A 94 94 SER H H 91 7.020 8.262 -1.242 1
1 1148 . 3 1 1 A 94 94 SER HA H 91 4.870 4.523 0.347 1
1 1152 . 3 1 1 A 94 94 SER C C 91 174.100 173.765 0.335 1
1 1153 . 3 1 1 A 94 94 SER CA C 91 60.900 60.767 0.133 1
1 1154 . 3 1 1 A 94 94 SER CB C 91 63.600 61.985 1.615 1
1 1155 . 3 1 1 A 94 94 SER N N 91 112.700 113.510 -0.810 1
1 1156 . 3 1 1 A 95 95 VAL H H 92 9.120 8.128 0.992 1
1 1157 . 3 1 1 A 95 95 VAL HA H 92 4.810 4.483 0.327 1
1 1165 . 3 1 1 A 95 95 VAL C C 92 175.700 174.836 0.864 1
1 1166 . 3 1 1 A 95 95 VAL CA C 92 59.200 60.038 -0.838 1
1 1167 . 3 1 1 A 95 95 VAL CB C 92 35.700 33.952 1.748 1
1 1170 . 3 1 1 A 95 95 VAL N N 92 116.900 119.556 -2.656 1
1 1171 . 3 1 1 A 96 96 LYS H H 93 8.390 8.326 0.064 1
1 1172 . 3 1 1 A 96 96 LYS HA H 93 4.010 4.428 -0.418 1
1 1181 . 3 1 1 A 96 96 LYS C C 93 174.800 175.535 -0.735 1
1 1182 . 3 1 1 A 96 96 LYS CA C 93 57.700 55.037 2.663 1
1 1183 . 3 1 1 A 96 96 LYS CB C 93 34.000 33.292 0.708 1
1 1187 . 3 1 1 A 96 96 LYS N N 93 120.300 123.127 -2.827 1
1 1188 . 3 1 1 A 97 97 HIS H H 94 8.030 8.768 -0.738 1
1 1189 . 3 1 1 A 97 97 HIS HA H 94 5.060 4.952 0.108 1
1 1194 . 3 1 1 A 97 97 HIS C C 94 172.600 173.393 -0.793 1
1 1195 . 3 1 1 A 97 97 HIS CA C 94 54.700 55.059 -0.359 1
1 1196 . 3 1 1 A 97 97 HIS CB C 94 31.400 31.591 -0.191 1
1 1199 . 3 1 1 A 97 97 HIS N N 94 121.000 127.303 -6.303 1
1 1200 . 3 1 1 A 98 98 TYR H H 95 7.610 8.931 -1.321 1
1 1201 . 3 1 1 A 98 98 TYR HA H 95 4.410 4.637 -0.227 1
1 1208 . 3 1 1 A 98 98 TYR C C 95 173.600 175.691 -2.091 1
1 1209 . 3 1 1 A 98 98 TYR CA C 95 56.400 57.523 -1.123 1
1 1210 . 3 1 1 A 98 98 TYR CB C 95 40.900 40.988 -0.088 1
1 1215 . 3 1 1 A 98 98 TYR N N 95 121.800 126.049 -4.249 1
1 1216 . 3 1 1 A 99 99 GLU H H 96 8.480 8.440 0.040 1
1 1217 . 3 1 1 A 99 99 GLU HA H 96 4.420 4.678 -0.258 1
1 1222 . 3 1 1 A 99 99 GLU C C 96 174.300 175.713 -1.413 1
1 1223 . 3 1 1 A 99 99 GLU CA C 96 56.600 56.060 0.540 1
1 1224 . 3 1 1 A 99 99 GLU CB C 96 30.700 30.247 0.453 1
1 1226 . 3 1 1 A 99 99 GLU N N 96 122.200 121.402 0.798 1
1 1227 . 3 1 1 A 100 100 ALA H H 97 8.420 9.003 -0.583 1
1 1228 . 3 1 1 A 100 100 ALA HA H 97 5.940 5.993 -0.053 1
1 1232 . 3 1 1 A 100 100 ALA C C 97 176.100 175.856 0.244 1
1 1233 . 3 1 1 A 100 100 ALA CA C 97 50.400 50.220 0.180 1
1 1234 . 3 1 1 A 100 100 ALA CB C 97 23.700 23.241 0.459 1
1 1235 . 3 1 1 A 100 100 ALA N N 97 124.100 127.681 -3.581 1
1 1236 . 3 1 1 A 101 101 ARG H H 98 9.000 8.682 0.318 1
1 1237 . 3 1 1 A 101 101 ARG HA H 98 4.640 4.939 -0.299 1
1 1245 . 3 1 1 A 101 101 ARG C C 98 172.100 173.728 -1.628 1
1 1246 . 3 1 1 A 101 101 ARG CA C 98 54.200 54.789 -0.589 1
1 1247 . 3 1 1 A 101 101 ARG CB C 98 32.800 33.733 -0.933 1
1 1250 . 3 1 1 A 101 101 ARG N N 98 118.400 116.513 1.887 1
1 1252 . 3 1 1 A 102 102 VAL H H 99 8.330 8.651 -0.321 1
1 1253 . 3 1 1 A 102 102 VAL HA H 99 4.720 4.737 -0.017 1
1 1261 . 3 1 1 A 102 102 VAL C C 99 175.200 174.007 1.193 1
1 1262 . 3 1 1 A 102 102 VAL CA C 99 61.100 61.617 -0.517 1
1 1263 . 3 1 1 A 102 102 VAL CB C 99 32.700 32.649 0.051 1
1 1266 . 3 1 1 A 102 102 VAL N N 99 119.500 121.140 -1.640 1
1 1267 . 3 1 1 A 103 103 LYS H H 100 9.070 9.124 -0.054 1
1 1268 . 3 1 1 A 103 103 LYS HA H 100 4.460 4.570 -0.110 1
1 1277 . 3 1 1 A 103 103 LYS C C 100 175.700 175.557 0.143 1
1 1278 . 3 1 1 A 103 103 LYS CA C 100 54.300 54.826 -0.526 1
1 1279 . 3 1 1 A 103 103 LYS CB C 100 34.800 34.248 0.552 1
1 1283 . 3 1 1 A 103 103 LYS N N 100 130.200 128.504 1.696 1
1 1284 . 3 1 1 A 104 104 ASP H H 101 9.560 9.444 0.116 1
1 1285 . 3 1 1 A 104 104 ASP HA H 101 4.210 4.339 -0.129 1
1 1288 . 3 1 1 A 104 104 ASP C C 101 175.800 176.167 -0.367 1
1 1289 . 3 1 1 A 104 104 ASP CA C 101 55.500 55.273 0.227 1
1 1290 . 3 1 1 A 104 104 ASP CB C 101 39.700 39.211 0.489 1
1 1291 . 3 1 1 A 104 104 ASP N N 101 130.600 127.892 2.708 1
1 1292 . 3 1 1 A 105 105 GLY H H 102 8.260 8.546 -0.286 1
1 1293 . 3 1 1 A 105 105 GLY HA2 H 102 3.450 3.804 -0.354 1
1 1294 . 3 1 1 A 105 105 GLY HA3 H 102 4.170 3.807 0.363 1
1 1295 . 3 1 1 A 105 105 GLY C C 102 173.300 173.706 -0.406 1
1 1296 . 3 1 1 A 105 105 GLY CA C 102 45.300 45.584 -0.284 1
1 1297 . 3 1 1 A 105 105 GLY N N 102 101.900 105.084 -3.184 1
1 1298 . 3 1 1 A 106 106 VAL H H 103 7.900 7.900 0.000 1
1 1299 . 3 1 1 A 106 106 VAL HA H 103 4.270 4.438 -0.168 1
1 1307 . 3 1 1 A 106 106 VAL C C 103 175.100 174.813 0.287 1
1 1308 . 3 1 1 A 106 106 VAL CA C 103 62.100 60.852 1.248 1
1 1309 . 3 1 1 A 106 106 VAL CB C 103 34.100 34.244 -0.144 1
1 1312 . 3 1 1 A 106 106 VAL N N 103 123.800 121.534 2.266 1
1 1313 . 3 1 1 A 107 107 VAL H H 104 9.290 9.269 0.021 1
1 1314 . 3 1 1 A 107 107 VAL HA H 104 4.220 4.099 0.121 1
1 1322 . 3 1 1 A 107 107 VAL C C 104 174.300 175.378 -1.078 1
1 1323 . 3 1 1 A 107 107 VAL CA C 104 62.700 62.893 -0.193 1
1 1324 . 3 1 1 A 107 107 VAL CB C 104 31.500 31.259 0.241 1
1 1327 . 3 1 1 A 107 107 VAL N N 104 127.300 127.888 -0.588 1
1 1328 . 3 1 1 A 108 108 GLN H H 105 9.410 9.138 0.272 1
1 1329 . 3 1 1 A 108 108 GLN HA H 105 5.720 5.374 0.346 1
1 1336 . 3 1 1 A 108 108 GLN C C 105 174.900 174.886 0.014 1
1 1337 . 3 1 1 A 108 108 GLN CA C 105 53.400 54.469 -1.069 1
1 1338 . 3 1 1 A 108 108 GLN CB C 105 34.600 32.015 2.585 1
1 1341 . 3 1 1 A 108 108 GLN N N 105 126.500 127.210 -0.710 1
1 1343 . 3 1 1 A 109 109 LEU H H 106 8.530 9.381 -0.851 1
1 1344 . 3 1 1 A 109 109 LEU HA H 106 5.760 5.146 0.614 1
1 1354 . 3 1 1 A 109 109 LEU C C 106 176.300 174.997 1.303 1
1 1355 . 3 1 1 A 109 109 LEU CA C 106 52.800 53.501 -0.701 1
1 1356 . 3 1 1 A 109 109 LEU CB C 106 48.900 44.770 4.130 1
1 1360 . 3 1 1 A 109 109 LEU N N 106 118.900 124.718 -5.818 1
1 1361 . 3 1 1 A 110 110 ARG H H 107 8.310 9.157 -0.847 1
1 1362 . 3 1 1 A 110 110 ARG HA H 107 4.230 4.857 -0.627 1
1 1370 . 3 1 1 A 110 110 ARG C C 107 174.800 175.198 -0.398 1
1 1371 . 3 1 1 A 110 110 ARG CA C 107 55.700 53.731 1.969 1
1 1372 . 3 1 1 A 110 110 ARG CB C 107 31.900 31.767 0.133 1
1 1375 . 3 1 1 A 110 110 ARG N N 107 119.900 124.473 -4.573 1
1 1377 . 3 1 1 A 111 111 GLY H H 108 8.390 8.483 -0.093 1
1 1378 . 3 1 1 A 111 111 GLY HA2 H 108 3.880 4.258 -0.378 1
1 1379 . 3 1 1 A 111 111 GLY HA3 H 108 4.130 4.384 -0.254 1
1 1380 . 3 1 1 A 111 111 GLY C C 108 173.500 173.309 0.191 1
1 1381 . 3 1 1 A 111 111 GLY CA C 108 45.000 45.359 -0.359 1
1 1382 . 3 1 1 A 111 111 GLY N N 108 110.000 112.136 -2.136 1
1 1383 . 3 1 1 A 112 112 GLY H H 109 8.280 8.600 -0.320 1
1 1384 . 3 1 1 A 112 112 GLY HA2 H 109 3.850 4.048 -0.198 1
1 1385 . 3 1 1 A 112 112 GLY HA3 H 109 3.950 4.069 -0.119 1
1 1386 . 3 1 1 A 112 112 GLY C C 109 173.200 174.325 -1.125 1
1 1387 . 3 1 1 A 112 112 GLY CA C 109 45.100 46.002 -0.902 1
1 1388 . 3 1 1 A 112 112 GLY N N 109 108.400 108.034 0.366 1
1 10 . 4 1 1 A 5 5 SER H H 2 8.360 8.779 -0.419 1
1 11 . 4 1 1 A 5 5 SER HA H 2 4.400 4.374 0.026 1
1 14 . 4 1 1 A 5 5 SER C C 2 174.100 174.623 -0.523 1
1 15 . 4 1 1 A 5 5 SER CA C 2 58.200 58.349 -0.149 1
1 16 . 4 1 1 A 5 5 SER CB C 2 63.700 63.475 0.225 1
1 17 . 4 1 1 A 5 5 SER N N 2 117.000 116.865 0.135 1
1 18 . 4 1 1 A 6 6 GLN H H 3 8.280 7.599 0.681 1
1 19 . 4 1 1 A 6 6 GLN HA H 3 4.320 4.371 -0.051 1
1 26 . 4 1 1 A 6 6 GLN C C 3 175.500 175.834 -0.334 1
1 27 . 4 1 1 A 6 6 GLN CA C 3 55.400 55.963 -0.563 1
1 28 . 4 1 1 A 6 6 GLN CB C 3 30.100 29.401 0.699 1
1 31 . 4 1 1 A 6 6 GLN N N 3 121.800 121.739 0.061 1
1 33 . 4 1 1 A 7 7 TRP H H 4 8.170 8.525 -0.355 1
1 34 . 4 1 1 A 7 7 TRP HA H 4 4.470 4.783 -0.313 1
1 43 . 4 1 1 A 7 7 TRP C C 4 176.200 176.214 -0.014 1
1 44 . 4 1 1 A 7 7 TRP CA C 4 57.600 58.673 -1.073 1
1 45 . 4 1 1 A 7 7 TRP CB C 4 30.300 29.506 0.794 1
1 51 . 4 1 1 A 7 7 TRP N N 4 122.300 125.899 -3.599 1
1 53 . 4 1 1 A 8 8 LYS H H 5 9.370 9.045 0.325 1
1 54 . 4 1 1 A 8 8 LYS HA H 5 4.690 4.544 0.146 1
1 63 . 4 1 1 A 8 8 LYS C C 5 175.600 175.752 -0.152 1
1 64 . 4 1 1 A 8 8 LYS CA C 5 54.200 56.460 -2.260 1
1 65 . 4 1 1 A 8 8 LYS CB C 5 34.700 33.068 1.632 1
1 69 . 4 1 1 A 8 8 LYS N N 5 125.100 126.154 -1.054 1
1 70 . 4 1 1 A 9 9 ASP H H 6 8.730 8.862 -0.132 1
1 71 . 4 1 1 A 9 9 ASP HA H 6 4.500 4.721 -0.221 1
1 74 . 4 1 1 A 9 9 ASP C C 6 176.200 175.658 0.542 1
1 75 . 4 1 1 A 9 9 ASP CA C 6 55.400 54.737 0.663 1
1 76 . 4 1 1 A 9 9 ASP CB C 6 40.700 40.472 0.228 1
1 77 . 4 1 1 A 9 9 ASP N N 6 125.400 127.380 -1.980 1
1 78 . 4 1 1 A 10 10 ILE H H 7 9.300 9.495 -0.195 1
1 79 . 4 1 1 A 10 10 ILE HA H 7 4.300 4.054 0.246 1
1 89 . 4 1 1 A 10 10 ILE C C 7 175.500 175.922 -0.422 1
1 90 . 4 1 1 A 10 10 ILE CA C 7 60.000 63.146 -3.146 1
1 91 . 4 1 1 A 10 10 ILE CB C 7 37.700 38.002 -0.302 1
1 95 . 4 1 1 A 10 10 ILE N N 7 122.900 125.730 -2.830 1
1 96 . 4 1 1 A 11 11 CYS H H 8 7.510 7.750 -0.240 1
1 97 . 4 1 1 A 11 11 CYS HA H 8 4.880 4.779 0.101 1
1 100 . 4 1 1 A 11 11 CYS C C 8 172.300 173.410 -1.110 1
1 101 . 4 1 1 A 11 11 CYS CA C 8 55.700 58.085 -2.385 1
1 102 . 4 1 1 A 11 11 CYS CB C 8 28.800 32.282 -3.482 1
1 103 . 4 1 1 A 11 11 CYS N N 8 111.400 117.086 -5.686 1
1 104 . 4 1 1 A 12 12 LYS H H 9 8.920 8.579 0.341 1
1 105 . 4 1 1 A 12 12 LYS HA H 9 4.880 4.482 0.398 1
1 114 . 4 1 1 A 12 12 LYS C C 9 179.400 177.773 1.627 1
1 115 . 4 1 1 A 12 12 LYS CA C 9 55.700 56.541 -0.841 1
1 116 . 4 1 1 A 12 12 LYS CB C 9 32.100 32.545 -0.445 1
1 120 . 4 1 1 A 12 12 LYS N N 9 120.100 121.581 -1.481 1
1 121 . 4 1 1 A 13 13 ILE H H 10 8.640 9.385 -0.745 1
1 122 . 4 1 1 A 13 13 ILE HA H 10 3.990 4.119 -0.129 1
1 132 . 4 1 1 A 13 13 ILE C C 10 174.900 176.837 -1.937 1
1 133 . 4 1 1 A 13 13 ILE CA C 10 61.000 63.260 -2.260 1
1 134 . 4 1 1 A 13 13 ILE CB C 10 37.800 38.045 -0.245 1
1 138 . 4 1 1 A 13 13 ILE N N 10 123.700 125.652 -1.952 1
1 139 . 4 1 1 A 14 14 ASP H H 11 7.600 8.111 -0.511 1
1 140 . 4 1 1 A 14 14 ASP HA H 11 4.350 4.371 -0.021 1
1 143 . 4 1 1 A 14 14 ASP C C 11 176.500 177.714 -1.214 1
1 144 . 4 1 1 A 14 14 ASP CA C 11 55.400 56.971 -1.571 1
1 145 . 4 1 1 A 14 14 ASP CB C 11 40.400 40.914 -0.514 1
1 146 . 4 1 1 A 14 14 ASP N N 11 115.800 121.962 -6.162 1
1 147 . 4 1 1 A 15 15 ASP H H 12 7.600 7.874 -0.274 1
1 148 . 4 1 1 A 15 15 ASP HA H 12 4.490 4.433 0.057 1
1 151 . 4 1 1 A 15 15 ASP C C 12 175.600 176.162 -0.562 1
1 152 . 4 1 1 A 15 15 ASP CA C 12 55.500 56.578 -1.078 1
1 153 . 4 1 1 A 15 15 ASP CB C 12 40.900 41.321 -0.421 1
1 154 . 4 1 1 A 15 15 ASP N N 12 116.800 117.992 -1.192 1
1 155 . 4 1 1 A 16 16 ILE H H 13 7.700 7.617 0.083 1
1 156 . 4 1 1 A 16 16 ILE HA H 13 4.000 4.076 -0.076 1
1 166 . 4 1 1 A 16 16 ILE C C 13 174.100 175.171 -1.071 1
1 167 . 4 1 1 A 16 16 ILE CA C 13 60.500 60.990 -0.490 1
1 168 . 4 1 1 A 16 16 ILE CB C 13 38.200 37.036 1.164 1
1 172 . 4 1 1 A 16 16 ILE N N 13 120.900 119.941 0.959 1
1 173 . 4 1 1 A 17 17 LEU H H 14 7.970 8.680 -0.710 1
1 174 . 4 1 1 A 17 17 LEU HA H 14 4.370 4.480 -0.110 1
1 184 . 4 1 1 A 17 17 LEU CA C 14 53.800 53.488 0.312 1
1 185 . 4 1 1 A 17 17 LEU CB C 14 40.500 40.662 -0.162 1
1 189 . 4 1 1 A 17 17 LEU N N 14 127.800 129.564 -1.764 1
1 190 . 4 1 1 A 18 18 PRO HA H 15 4.080 4.281 -0.201 1
1 197 . 4 1 1 A 18 18 PRO C C 15 175.700 176.731 -1.031 1
1 198 . 4 1 1 A 18 18 PRO CA C 15 64.300 63.593 0.707 1
1 199 . 4 1 1 A 18 18 PRO CB C 15 31.600 31.981 -0.381 1
1 202 . 4 1 1 A 19 19 GLU H H 16 8.930 8.823 0.107 1
1 203 . 4 1 1 A 19 19 GLU HA H 16 3.660 3.900 -0.240 1
1 208 . 4 1 1 A 19 19 GLU C C 16 175.500 174.993 0.507 1
1 209 . 4 1 1 A 19 19 GLU CA C 16 58.300 57.681 0.619 1
1 210 . 4 1 1 A 19 19 GLU CB C 16 27.300 28.242 -0.942 1
1 212 . 4 1 1 A 19 19 GLU N N 16 113.700 116.084 -2.384 1
1 213 . 4 1 1 A 20 20 THR H H 17 7.790 7.345 0.445 1
1 214 . 4 1 1 A 20 20 THR HA H 17 5.080 4.839 0.241 1
1 220 . 4 1 1 A 20 20 THR C C 17 172.100 173.293 -1.193 1
1 221 . 4 1 1 A 20 20 THR CA C 17 60.700 59.963 0.737 1
1 222 . 4 1 1 A 20 20 THR CB C 17 73.100 71.301 1.799 1
1 224 . 4 1 1 A 20 20 THR N N 17 110.000 113.800 -3.800 1
1 225 . 4 1 1 A 21 21 GLY H H 18 8.080 8.881 -0.801 1
1 226 . 4 1 1 A 21 21 GLY HA2 H 18 3.070 4.037 -0.967 1
1 227 . 4 1 1 A 21 21 GLY HA3 H 18 5.270 4.055 1.215 1
1 228 . 4 1 1 A 21 21 GLY C C 18 173.400 172.397 1.003 1
1 229 . 4 1 1 A 21 21 GLY CA C 18 44.600 44.327 0.273 1
1 230 . 4 1 1 A 21 21 GLY N N 18 103.700 113.772 -10.072 1
1 231 . 4 1 1 A 22 22 VAL H H 19 8.520 9.094 -0.574 1
1 232 . 4 1 1 A 22 22 VAL HA H 19 4.570 4.945 -0.375 1
1 240 . 4 1 1 A 22 22 VAL C C 19 172.900 174.163 -1.263 1
1 241 . 4 1 1 A 22 22 VAL CA C 19 58.900 58.646 0.254 1
1 242 . 4 1 1 A 22 22 VAL CB C 19 35.900 35.126 0.774 1
1 245 . 4 1 1 A 22 22 VAL N N 19 112.900 118.216 -5.316 1
1 246 . 4 1 1 A 23 23 CYS H H 20 8.290 8.711 -0.421 1
1 247 . 4 1 1 A 23 23 CYS HA H 20 5.250 5.218 0.032 1
1 250 . 4 1 1 A 23 23 CYS C C 20 173.500 174.031 -0.531 1
1 251 . 4 1 1 A 23 23 CYS CA C 20 56.300 57.249 -0.949 1
1 252 . 4 1 1 A 23 23 CYS CB C 20 27.600 28.664 -1.064 1
1 253 . 4 1 1 A 23 23 CYS N N 20 120.700 120.485 0.215 1
1 254 . 4 1 1 A 24 24 ALA H H 21 9.590 9.488 0.102 1
1 255 . 4 1 1 A 24 24 ALA HA H 21 4.580 5.029 -0.449 1
1 259 . 4 1 1 A 24 24 ALA C C 21 174.400 175.310 -0.910 1
1 260 . 4 1 1 A 24 24 ALA CA C 21 50.200 50.451 -0.251 1
1 261 . 4 1 1 A 24 24 ALA CB C 21 23.400 21.816 1.584 1
1 262 . 4 1 1 A 24 24 ALA N N 21 132.500 128.343 4.157 1
1 263 . 4 1 1 A 25 25 LEU H H 22 8.100 8.555 -0.455 1
1 264 . 4 1 1 A 25 25 LEU HA H 22 4.860 5.140 -0.280 1
1 274 . 4 1 1 A 25 25 LEU C C 22 175.800 173.981 1.819 1
1 275 . 4 1 1 A 25 25 LEU CA C 22 53.800 53.272 0.528 1
1 276 . 4 1 1 A 25 25 LEU CB C 22 43.600 45.331 -1.731 1
1 280 . 4 1 1 A 25 25 LEU N N 22 120.700 120.641 0.059 1
1 281 . 4 1 1 A 26 26 LEU H H 23 8.660 9.029 -0.369 1
1 282 . 4 1 1 A 26 26 LEU HA H 23 4.410 4.608 -0.198 1
1 292 . 4 1 1 A 26 26 LEU C C 23 176.600 176.719 -0.119 1
1 293 . 4 1 1 A 26 26 LEU CA C 23 53.100 53.263 -0.163 1
1 294 . 4 1 1 A 26 26 LEU CB C 23 43.400 43.364 0.036 1
1 298 . 4 1 1 A 26 26 LEU N N 23 125.800 127.813 -2.013 1
1 299 . 4 1 1 A 27 27 GLY H H 24 8.910 8.923 -0.013 1
1 300 . 4 1 1 A 27 27 GLY HA2 H 24 3.560 3.826 -0.266 1
1 301 . 4 1 1 A 27 27 GLY HA3 H 24 4.000 3.826 0.174 1
1 302 . 4 1 1 A 27 27 GLY C C 24 173.800 174.345 -0.545 1
1 303 . 4 1 1 A 27 27 GLY CA C 24 47.300 47.324 -0.024 1
1 304 . 4 1 1 A 27 27 GLY N N 24 118.300 116.248 2.052 1
1 305 . 4 1 1 A 28 28 ASP H H 25 8.800 8.585 0.215 1
1 306 . 4 1 1 A 28 28 ASP HA H 25 4.690 4.879 -0.189 1
1 309 . 4 1 1 A 28 28 ASP C C 25 176.100 175.614 0.486 1
1 310 . 4 1 1 A 28 28 ASP CA C 25 53.900 54.589 -0.689 1
1 311 . 4 1 1 A 28 28 ASP CB C 25 41.300 43.614 -2.314 1
1 312 . 4 1 1 A 28 28 ASP N N 25 126.600 125.524 1.076 1
1 313 . 4 1 1 A 29 29 GLU H H 26 8.100 7.660 0.440 1
1 314 . 4 1 1 A 29 29 GLU HA H 26 4.440 4.680 -0.240 1
1 319 . 4 1 1 A 29 29 GLU C C 26 174.800 176.007 -1.207 1
1 320 . 4 1 1 A 29 29 GLU CA C 26 55.800 54.715 1.085 1
1 321 . 4 1 1 A 29 29 GLU CB C 26 30.600 30.702 -0.102 1
1 323 . 4 1 1 A 29 29 GLU N N 26 120.400 118.416 1.984 1
1 324 . 4 1 1 A 30 30 GLN H H 27 8.640 8.737 -0.097 1
1 325 . 4 1 1 A 30 30 GLN HA H 27 4.510 5.155 -0.645 1
1 332 . 4 1 1 A 30 30 GLN C C 27 175.800 174.891 0.909 1
1 333 . 4 1 1 A 30 30 GLN CA C 27 55.700 54.644 1.056 1
1 334 . 4 1 1 A 30 30 GLN CB C 27 29.300 29.879 -0.579 1
1 336 . 4 1 1 A 30 30 GLN N N 27 121.300 119.703 1.597 1
1 338 . 4 1 1 A 31 31 VAL H H 28 9.280 8.904 0.376 1
1 339 . 4 1 1 A 31 31 VAL HA H 28 4.040 4.615 -0.575 1
1 347 . 4 1 1 A 31 31 VAL C C 28 172.900 174.290 -1.390 1
1 348 . 4 1 1 A 31 31 VAL CA C 28 61.900 60.841 1.059 1
1 349 . 4 1 1 A 31 31 VAL CB C 28 34.800 33.994 0.806 1
1 352 . 4 1 1 A 31 31 VAL N N 28 128.600 125.126 3.474 1
1 353 . 4 1 1 A 32 32 ALA H H 29 9.440 9.334 0.106 1
1 354 . 4 1 1 A 32 32 ALA HA H 29 4.680 5.136 -0.456 1
1 358 . 4 1 1 A 32 32 ALA C C 29 175.200 175.796 -0.596 1
1 359 . 4 1 1 A 32 32 ALA CA C 29 50.500 50.582 -0.082 1
1 360 . 4 1 1 A 32 32 ALA CB C 29 20.200 20.084 0.116 1
1 361 . 4 1 1 A 32 32 ALA N N 29 130.400 128.644 1.756 1
1 362 . 4 1 1 A 33 33 ILE H H 30 8.590 8.948 -0.358 1
1 363 . 4 1 1 A 33 33 ILE HA H 30 4.680 4.672 0.008 1
1 373 . 4 1 1 A 33 33 ILE C C 30 174.800 174.603 0.197 1
1 374 . 4 1 1 A 33 33 ILE CA C 30 59.900 60.172 -0.272 1
1 375 . 4 1 1 A 33 33 ILE CB C 30 39.300 38.938 0.362 1
1 379 . 4 1 1 A 33 33 ILE N N 30 120.600 123.987 -3.387 1
1 380 . 4 1 1 A 34 34 PHE H H 31 9.430 9.543 -0.113 1
1 381 . 4 1 1 A 34 34 PHE HA H 31 5.070 5.334 -0.264 1
1 386 . 4 1 1 A 34 34 PHE C C 31 174.800 174.690 0.110 1
1 387 . 4 1 1 A 34 34 PHE CA C 31 57.200 56.443 0.757 1
1 388 . 4 1 1 A 34 34 PHE CB C 31 43.400 41.208 2.192 1
1 391 . 4 1 1 A 34 34 PHE N N 31 121.800 126.178 -4.378 1
1 392 . 4 1 1 A 35 35 ARG H H 32 8.450 9.088 -0.638 1
1 393 . 4 1 1 A 35 35 ARG HA H 32 5.470 4.849 0.621 1
1 403 . 4 1 1 A 35 35 ARG CA C 32 52.000 52.590 -0.590 1
1 404 . 4 1 1 A 35 35 ARG CB C 32 33.200 31.336 1.864 1
1 407 . 4 1 1 A 35 35 ARG N N 32 123.000 125.051 -2.051 1
1 410 . 4 1 1 A 36 36 PRO HA H 33 3.910 4.543 -0.633 1
1 417 . 4 1 1 A 36 36 PRO C C 33 174.300 175.916 -1.616 1
1 418 . 4 1 1 A 36 36 PRO CA C 33 64.600 64.149 0.451 1
1 419 . 4 1 1 A 36 36 PRO CB C 33 32.800 32.031 0.769 1
1 422 . 4 1 1 A 37 37 TYR H H 34 9.000 7.685 1.315 1
1 423 . 4 1 1 A 37 37 TYR HA H 34 5.250 4.902 0.348 1
1 430 . 4 1 1 A 37 37 TYR C C 34 175.000 176.722 -1.722 1
1 431 . 4 1 1 A 37 37 TYR CA C 34 54.200 57.090 -2.890 1
1 432 . 4 1 1 A 37 37 TYR CB C 34 41.000 40.615 0.385 1
1 437 . 4 1 1 A 37 37 TYR N N 34 115.500 118.430 -2.930 1
1 438 . 4 1 1 A 38 38 HIS H H 35 8.700 8.974 -0.274 1
1 439 . 4 1 1 A 38 38 HIS HA H 35 4.490 4.481 0.009 1
1 444 . 4 1 1 A 38 38 HIS C C 35 175.800 175.435 0.365 1
1 445 . 4 1 1 A 38 38 HIS CA C 35 56.400 58.370 -1.970 1
1 446 . 4 1 1 A 38 38 HIS CB C 35 28.600 30.675 -2.075 1
1 449 . 4 1 1 A 38 38 HIS N N 35 119.000 122.812 -3.812 1
1 450 . 4 1 1 A 39 39 SER H H 36 7.890 7.771 0.119 1
1 451 . 4 1 1 A 39 39 SER HA H 36 4.770 4.478 0.292 1
1 454 . 4 1 1 A 39 39 SER C C 36 173.800 174.811 -1.011 1
1 455 . 4 1 1 A 39 39 SER CA C 36 57.000 56.762 0.238 1
1 456 . 4 1 1 A 39 39 SER CB C 36 64.700 65.115 -0.415 1
1 457 . 4 1 1 A 39 39 SER N N 36 115.500 115.519 -0.019 1
1 458 . 4 1 1 A 40 40 ASP H H 37 8.540 8.556 -0.016 1
1 459 . 4 1 1 A 40 40 ASP HA H 37 4.540 4.768 -0.228 1
1 462 . 4 1 1 A 40 40 ASP C C 37 174.700 176.008 -1.308 1
1 463 . 4 1 1 A 40 40 ASP CA C 37 53.800 53.421 0.379 1
1 464 . 4 1 1 A 40 40 ASP CB C 37 39.600 40.055 -0.455 1
1 465 . 4 1 1 A 40 40 ASP N N 37 119.400 123.331 -3.931 1
1 466 . 4 1 1 A 41 41 GLN H H 38 7.490 7.694 -0.204 1
1 467 . 4 1 1 A 41 41 GLN HA H 38 4.140 4.470 -0.330 1
1 474 . 4 1 1 A 41 41 GLN C C 38 175.500 175.718 -0.218 1
1 475 . 4 1 1 A 41 41 GLN CA C 38 57.100 55.352 1.748 1
1 476 . 4 1 1 A 41 41 GLN CB C 38 29.400 29.322 0.078 1
1 479 . 4 1 1 A 41 41 GLN N N 38 118.700 121.419 -2.719 1
1 481 . 4 1 1 A 42 42 VAL H H 39 7.800 8.782 -0.982 1
1 482 . 4 1 1 A 42 42 VAL HA H 39 5.600 5.203 0.397 1
1 490 . 4 1 1 A 42 42 VAL C C 39 174.200 174.403 -0.203 1
1 491 . 4 1 1 A 42 42 VAL CA C 39 58.200 59.031 -0.831 1
1 492 . 4 1 1 A 42 42 VAL CB C 39 36.500 36.076 0.424 1
1 495 . 4 1 1 A 42 42 VAL N N 39 116.100 120.213 -4.113 1
1 496 . 4 1 1 A 43 43 PHE H H 40 8.480 9.100 -0.620 1
1 497 . 4 1 1 A 43 43 PHE HA H 40 4.870 5.313 -0.443 1
1 504 . 4 1 1 A 43 43 PHE C C 40 173.900 174.741 -0.841 1
1 505 . 4 1 1 A 43 43 PHE CA C 40 56.800 56.305 0.495 1
1 506 . 4 1 1 A 43 43 PHE CB C 40 45.300 43.760 1.540 1
1 511 . 4 1 1 A 43 43 PHE N N 40 117.200 120.038 -2.838 1
1 512 . 4 1 1 A 44 44 ALA H H 41 9.520 8.955 0.565 1
1 513 . 4 1 1 A 44 44 ALA HA H 41 6.200 5.529 0.671 1
1 517 . 4 1 1 A 44 44 ALA C C 41 176.300 175.849 0.451 1
1 518 . 4 1 1 A 44 44 ALA CA C 41 50.900 51.295 -0.395 1
1 519 . 4 1 1 A 44 44 ALA CB C 41 24.100 22.605 1.495 1
1 520 . 4 1 1 A 44 44 ALA N N 41 125.100 122.169 2.931 1
1 521 . 4 1 1 A 45 45 ILE H H 42 8.970 9.095 -0.125 1
1 522 . 4 1 1 A 45 45 ILE HA H 42 5.580 5.404 0.176 1
1 532 . 4 1 1 A 45 45 ILE C C 42 174.600 174.936 -0.336 1
1 533 . 4 1 1 A 45 45 ILE CA C 42 59.300 58.728 0.572 1
1 534 . 4 1 1 A 45 45 ILE CB C 42 44.300 42.068 2.232 1
1 538 . 4 1 1 A 45 45 ILE N N 42 117.100 118.215 -1.115 1
1 539 . 4 1 1 A 46 46 SER H H 43 8.460 9.068 -0.608 1
1 540 . 4 1 1 A 46 46 SER HA H 43 4.350 4.713 -0.363 1
1 543 . 4 1 1 A 46 46 SER C C 43 172.100 175.409 -3.309 1
1 544 . 4 1 1 A 46 46 SER CA C 43 59.500 58.683 0.817 1
1 545 . 4 1 1 A 46 46 SER CB C 43 64.900 63.521 1.379 1
1 546 . 4 1 1 A 46 46 SER N N 43 112.400 116.863 -4.463 1
1 547 . 4 1 1 A 47 47 ASN H H 44 7.990 8.806 -0.816 1
1 548 . 4 1 1 A 47 47 ASN HA H 44 4.940 4.595 0.345 1
1 553 . 4 1 1 A 47 47 ASN C C 44 175.800 175.426 0.374 1
1 554 . 4 1 1 A 47 47 ASN CA C 44 53.800 56.022 -2.222 1
1 555 . 4 1 1 A 47 47 ASN CB C 44 40.600 38.552 2.048 1
1 556 . 4 1 1 A 47 47 ASN N N 44 117.800 122.830 -5.030 1
1 558 . 4 1 1 A 48 48 ILE H H 45 8.190 7.935 0.255 1
1 559 . 4 1 1 A 48 48 ILE HA H 45 4.100 4.717 -0.617 1
1 569 . 4 1 1 A 48 48 ILE C C 45 175.200 174.895 0.305 1
1 570 . 4 1 1 A 48 48 ILE CA C 45 59.400 60.937 -1.537 1
1 571 . 4 1 1 A 48 48 ILE CB C 45 36.500 37.850 -1.350 1
1 575 . 4 1 1 A 48 48 ILE N N 45 118.300 119.449 -1.149 1
1 576 . 4 1 1 A 49 49 ASP H H 46 8.720 8.496 0.224 1
1 577 . 4 1 1 A 49 49 ASP HA H 46 4.530 4.739 -0.209 1
1 580 . 4 1 1 A 49 49 ASP CA C 46 51.400 51.922 -0.522 1
1 581 . 4 1 1 A 49 49 ASP CB C 46 42.900 41.919 0.981 1
1 582 . 4 1 1 A 49 49 ASP N N 46 128.600 129.165 -0.565 1
1 583 . 4 1 1 A 50 50 PRO HA H 47 4.500 4.591 -0.091 1
1 590 . 4 1 1 A 50 50 PRO C C 47 177.800 177.742 0.058 1
1 591 . 4 1 1 A 50 50 PRO CA C 47 63.700 63.956 -0.256 1
1 592 . 4 1 1 A 50 50 PRO CB C 47 32.200 32.632 -0.432 1
1 595 . 4 1 1 A 51 51 PHE H H 48 9.270 8.224 1.046 1
1 596 . 4 1 1 A 51 51 PHE HA H 48 3.980 4.235 -0.255 1
1 601 . 4 1 1 A 51 51 PHE C C 48 177.100 178.209 -1.109 1
1 602 . 4 1 1 A 51 51 PHE CA C 48 61.400 61.767 -0.367 1
1 603 . 4 1 1 A 51 51 PHE CB C 48 37.900 39.726 -1.826 1
1 606 . 4 1 1 A 51 51 PHE N N 48 121.800 119.133 2.667 1
1 607 . 4 1 1 A 52 52 PHE H H 49 7.440 8.224 -0.784 1
1 608 . 4 1 1 A 52 52 PHE HA H 49 4.560 4.478 0.082 1
1 616 . 4 1 1 A 52 52 PHE C C 49 176.100 175.400 0.700 1
1 617 . 4 1 1 A 52 52 PHE CA C 49 58.300 59.860 -1.560 1
1 618 . 4 1 1 A 52 52 PHE CB C 49 42.000 40.030 1.970 1
1 624 . 4 1 1 A 52 52 PHE N N 49 114.500 119.876 -5.376 1
1 625 . 4 1 1 A 53 53 GLU H H 50 8.590 8.049 0.541 1
1 626 . 4 1 1 A 53 53 GLU HA H 50 3.780 4.221 -0.441 1
1 631 . 4 1 1 A 53 53 GLU C C 50 175.000 175.024 -0.024 1
1 632 . 4 1 1 A 53 53 GLU CA C 50 57.300 57.279 0.021 1
1 633 . 4 1 1 A 53 53 GLU CB C 50 27.100 27.383 -0.283 1
1 635 . 4 1 1 A 53 53 GLU N N 50 120.300 118.345 1.955 1
1 636 . 4 1 1 A 54 54 SER H H 51 7.100 8.147 -1.047 1
1 637 . 4 1 1 A 54 54 SER HA H 51 4.910 4.856 0.054 1
1 640 . 4 1 1 A 54 54 SER CA C 51 56.500 58.206 -1.706 1
1 641 . 4 1 1 A 54 54 SER CB C 51 66.100 64.067 2.033 1
1 642 . 4 1 1 A 54 54 SER N N 51 110.300 115.520 -5.220 1
1 643 . 4 1 1 A 55 55 SER HA H 52 4.550 4.312 0.238 1
1 646 . 4 1 1 A 55 55 SER C C 52 173.500 174.502 -1.002 1
1 647 . 4 1 1 A 55 55 SER CA C 52 56.700 60.599 -3.899 1
1 648 . 4 1 1 A 55 55 SER CB C 52 62.100 63.266 -1.166 1
1 649 . 4 1 1 A 56 56 VAL H H 53 7.590 7.957 -0.367 1
1 650 . 4 1 1 A 56 56 VAL HA H 53 4.900 4.467 0.433 1
1 658 . 4 1 1 A 56 56 VAL C C 53 176.800 175.341 1.459 1
1 659 . 4 1 1 A 56 56 VAL CA C 53 61.300 60.868 0.432 1
1 660 . 4 1 1 A 56 56 VAL CB C 53 36.200 34.480 1.720 1
1 663 . 4 1 1 A 56 56 VAL N N 53 117.400 120.177 -2.777 1
1 664 . 4 1 1 A 57 57 LEU H H 54 8.690 9.142 -0.452 1
1 665 . 4 1 1 A 57 57 LEU HA H 54 3.930 4.486 -0.556 1
1 675 . 4 1 1 A 57 57 LEU C C 54 179.500 179.404 0.096 1
1 676 . 4 1 1 A 57 57 LEU CA C 54 60.000 57.079 2.921 1
1 677 . 4 1 1 A 57 57 LEU CB C 54 40.800 42.626 -1.826 1
1 681 . 4 1 1 A 57 57 LEU N N 54 121.100 130.512 -9.412 1
1 682 . 4 1 1 A 58 58 SER H H 55 9.750 7.752 1.998 1
1 683 . 4 1 1 A 58 58 SER HA H 55 3.800 4.550 -0.750 1
1 686 . 4 1 1 A 58 58 SER C C 55 174.100 175.239 -1.139 1
1 687 . 4 1 1 A 58 58 SER CA C 55 61.600 61.186 0.414 1
1 688 . 4 1 1 A 58 58 SER CB C 55 61.900 63.043 -1.143 1
1 689 . 4 1 1 A 58 58 SER N N 55 113.400 116.174 -2.774 1
1 690 . 4 1 1 A 59 59 ARG H H 56 7.510 7.803 -0.293 1
1 691 . 4 1 1 A 59 59 ARG HA H 56 4.560 4.528 0.032 1
1 698 . 4 1 1 A 59 59 ARG C C 56 177.500 175.296 2.204 1
1 699 . 4 1 1 A 59 59 ARG CA C 56 55.400 55.149 0.251 1
1 700 . 4 1 1 A 59 59 ARG CB C 56 30.400 29.587 0.813 1
1 703 . 4 1 1 A 59 59 ARG N N 56 118.400 119.899 -1.499 1
1 704 . 4 1 1 A 60 60 GLY H H 57 8.550 7.905 0.645 1
1 705 . 4 1 1 A 60 60 GLY HA2 H 57 4.020 4.345 -0.325 1
1 706 . 4 1 1 A 60 60 GLY HA3 H 57 4.020 4.365 -0.345 1
1 707 . 4 1 1 A 60 60 GLY C C 57 171.200 172.838 -1.638 1
1 708 . 4 1 1 A 60 60 GLY CA C 57 45.400 44.374 1.026 1
1 709 . 4 1 1 A 60 60 GLY N N 57 108.600 109.143 -0.543 1
1 710 . 4 1 1 A 61 61 LEU H H 58 7.740 8.624 -0.884 1
1 711 . 4 1 1 A 61 61 LEU HA H 58 4.640 5.106 -0.466 1
1 721 . 4 1 1 A 61 61 LEU C C 58 177.000 175.464 1.536 1
1 722 . 4 1 1 A 61 61 LEU CA C 58 54.200 52.701 1.499 1
1 723 . 4 1 1 A 61 61 LEU CB C 58 43.700 44.213 -0.513 1
1 727 . 4 1 1 A 61 61 LEU N N 58 119.100 116.670 2.430 1
1 728 . 4 1 1 A 62 62 ILE H H 59 8.780 8.697 0.083 1
1 729 . 4 1 1 A 62 62 ILE HA H 59 4.660 4.783 -0.123 1
1 739 . 4 1 1 A 62 62 ILE C C 59 175.500 175.118 0.382 1
1 740 . 4 1 1 A 62 62 ILE CA C 59 60.600 60.508 0.092 1
1 741 . 4 1 1 A 62 62 ILE CB C 59 38.700 38.431 0.269 1
1 745 . 4 1 1 A 62 62 ILE N N 59 126.500 122.395 4.105 1
1 746 . 4 1 1 A 63 63 ALA H H 60 9.110 9.456 -0.346 1
1 747 . 4 1 1 A 63 63 ALA HA H 60 4.590 5.115 -0.525 1
1 751 . 4 1 1 A 63 63 ALA C C 60 175.000 175.866 -0.866 1
1 752 . 4 1 1 A 63 63 ALA CA C 60 51.300 50.083 1.217 1
1 753 . 4 1 1 A 63 63 ALA CB C 60 23.100 22.154 0.946 1
1 754 . 4 1 1 A 63 63 ALA N N 60 129.300 130.978 -1.678 1
1 755 . 4 1 1 A 64 64 GLU H H 61 8.460 8.854 -0.394 1
1 756 . 4 1 1 A 64 64 GLU HA H 61 5.070 4.919 0.151 1
1 761 . 4 1 1 A 64 64 GLU C C 61 176.000 175.871 0.129 1
1 762 . 4 1 1 A 64 64 GLU CA C 61 55.100 56.462 -1.362 1
1 763 . 4 1 1 A 64 64 GLU CB C 61 31.200 31.351 -0.151 1
1 765 . 4 1 1 A 64 64 GLU N N 61 121.500 122.378 -0.878 1
1 766 . 4 1 1 A 65 65 HIS H H 62 9.310 9.169 0.141 1
1 767 . 4 1 1 A 65 65 HIS HA H 62 4.740 4.678 0.062 1
1 772 . 4 1 1 A 65 65 HIS CA C 62 56.400 57.069 -0.669 1
1 773 . 4 1 1 A 65 65 HIS CB C 62 32.600 32.206 0.394 1
1 776 . 4 1 1 A 65 65 HIS N N 62 123.500 122.964 0.536 1
1 777 . 4 1 1 A 66 66 GLN HA H 63 3.870 4.366 -0.496 1
1 784 . 4 1 1 A 66 66 GLN C C 63 176.000 175.631 0.369 1
1 785 . 4 1 1 A 66 66 GLN CA C 63 56.600 54.987 1.613 1
1 786 . 4 1 1 A 66 66 GLN CB C 63 26.800 29.505 -2.705 1
1 790 . 4 1 1 A 67 67 GLY H H 64 8.970 9.280 -0.310 1
1 791 . 4 1 1 A 67 67 GLY HA2 H 64 3.680 4.075 -0.395 1
1 792 . 4 1 1 A 67 67 GLY HA3 H 64 4.140 4.077 0.063 1
1 793 . 4 1 1 A 67 67 GLY C C 64 173.800 173.813 -0.013 1
1 794 . 4 1 1 A 67 67 GLY CA C 64 45.600 45.477 0.123 1
1 795 . 4 1 1 A 67 67 GLY N N 64 104.200 109.520 -5.320 1
1 796 . 4 1 1 A 68 68 GLU H H 65 7.850 8.734 -0.884 1
1 797 . 4 1 1 A 68 68 GLU HA H 65 4.810 4.943 -0.133 1
1 802 . 4 1 1 A 68 68 GLU C C 65 174.400 175.028 -0.628 1
1 803 . 4 1 1 A 68 68 GLU CA C 65 54.100 54.445 -0.345 1
1 804 . 4 1 1 A 68 68 GLU CB C 65 34.000 33.544 0.456 1
1 806 . 4 1 1 A 68 68 GLU N N 65 118.800 119.437 -0.637 1
1 807 . 4 1 1 A 69 69 LEU H H 66 8.030 8.917 -0.887 1
1 808 . 4 1 1 A 69 69 LEU HA H 66 4.920 4.759 0.161 1
1 818 . 4 1 1 A 69 69 LEU C C 66 177.100 175.453 1.647 1
1 819 . 4 1 1 A 69 69 LEU CA C 66 54.300 53.536 0.764 1
1 820 . 4 1 1 A 69 69 LEU CB C 66 44.500 42.339 2.161 1
1 824 . 4 1 1 A 69 69 LEU N N 66 119.000 122.935 -3.935 1
1 825 . 4 1 1 A 70 70 TRP H H 67 8.980 9.062 -0.082 1
1 826 . 4 1 1 A 70 70 TRP HA H 67 5.140 5.251 -0.111 1
1 835 . 4 1 1 A 70 70 TRP C C 67 174.400 175.286 -0.886 1
1 836 . 4 1 1 A 70 70 TRP CA C 67 55.100 55.846 -0.746 1
1 837 . 4 1 1 A 70 70 TRP CB C 67 31.800 31.398 0.402 1
1 843 . 4 1 1 A 70 70 TRP N N 67 122.200 125.818 -3.618 1
1 845 . 4 1 1 A 71 71 VAL H H 68 9.490 9.203 0.287 1
1 846 . 4 1 1 A 71 71 VAL HA H 68 4.990 4.816 0.174 1
1 854 . 4 1 1 A 71 71 VAL C C 68 173.000 174.409 -1.409 1
1 855 . 4 1 1 A 71 71 VAL CA C 68 58.500 60.613 -2.113 1
1 856 . 4 1 1 A 71 71 VAL CB C 68 34.300 32.758 1.542 1
1 859 . 4 1 1 A 71 71 VAL N N 68 120.900 124.096 -3.196 1
1 860 . 4 1 1 A 72 72 ALA H H 69 8.550 9.533 -0.983 1
1 861 . 4 1 1 A 72 72 ALA HA H 69 5.280 5.524 -0.244 1
1 865 . 4 1 1 A 72 72 ALA C C 69 178.000 175.972 2.028 1
1 866 . 4 1 1 A 72 72 ALA CA C 69 49.200 50.195 -0.995 1
1 867 . 4 1 1 A 72 72 ALA CB C 69 19.700 20.550 -0.850 1
1 868 . 4 1 1 A 72 72 ALA N N 69 130.000 132.145 -2.145 1
1 869 . 4 1 1 A 73 73 SER H H 70 9.470 9.094 0.376 1
1 870 . 4 1 1 A 73 73 SER HA H 70 4.540 4.712 -0.172 1
1 873 . 4 1 1 A 73 73 SER CA C 70 55.700 55.703 -0.003 1
1 874 . 4 1 1 A 73 73 SER CB C 70 64.400 64.388 0.012 1
1 875 . 4 1 1 A 73 73 SER N N 70 118.100 118.902 -0.802 1
1 876 . 4 1 1 A 74 74 PRO HA H 71 4.540 4.468 0.072 1
1 883 . 4 1 1 A 74 74 PRO C C 71 176.700 177.764 -1.064 1
1 884 . 4 1 1 A 74 74 PRO CA C 71 64.000 64.173 -0.173 1
1 885 . 4 1 1 A 74 74 PRO CB C 71 32.300 31.806 0.494 1
1 888 . 4 1 1 A 75 75 LEU H H 72 7.850 7.925 -0.075 1
1 889 . 4 1 1 A 75 75 LEU HA H 72 4.330 4.098 0.232 1
1 899 . 4 1 1 A 75 75 LEU CA C 72 56.200 57.261 -1.061 1
1 900 . 4 1 1 A 75 75 LEU CB C 72 38.500 41.897 -3.397 1
1 904 . 4 1 1 A 75 75 LEU N N 72 119.300 118.564 0.736 1
1 905 . 4 1 1 A 76 76 LYS HA H 73 4.470 4.549 -0.079 1
1 914 . 4 1 1 A 76 76 LYS C C 73 176.600 176.205 0.395 1
1 915 . 4 1 1 A 76 76 LYS CA C 73 54.600 57.522 -2.922 1
1 916 . 4 1 1 A 76 76 LYS CB C 73 31.700 33.281 -1.581 1
1 920 . 4 1 1 A 77 77 LYS H H 74 7.240 7.486 -0.246 1
1 921 . 4 1 1 A 77 77 LYS HA H 74 4.440 4.387 0.053 1
1 930 . 4 1 1 A 77 77 LYS C C 74 175.500 175.227 0.273 1
1 931 . 4 1 1 A 77 77 LYS CA C 74 57.800 55.364 2.436 1
1 932 . 4 1 1 A 77 77 LYS CB C 74 28.600 33.900 -5.300 1
1 936 . 4 1 1 A 77 77 LYS N N 74 110.900 117.683 -6.783 1
1 937 . 4 1 1 A 78 78 GLN H H 75 8.080 7.482 0.598 1
1 938 . 4 1 1 A 78 78 GLN HA H 75 4.030 4.183 -0.153 1
1 945 . 4 1 1 A 78 78 GLN C C 75 174.500 175.063 -0.563 1
1 946 . 4 1 1 A 78 78 GLN CA C 75 58.400 55.863 2.537 1
1 947 . 4 1 1 A 78 78 GLN CB C 75 27.400 29.569 -2.169 1
1 949 . 4 1 1 A 78 78 GLN N N 75 119.100 120.698 -1.598 1
1 951 . 4 1 1 A 79 79 ARG H H 76 9.800 8.693 1.107 1
1 952 . 4 1 1 A 79 79 ARG HA H 76 5.310 5.225 0.085 1
1 960 . 4 1 1 A 79 79 ARG C C 76 175.800 174.989 0.811 1
1 961 . 4 1 1 A 79 79 ARG CA C 76 55.300 55.343 -0.043 1
1 962 . 4 1 1 A 79 79 ARG CB C 76 33.100 32.198 0.902 1
1 965 . 4 1 1 A 79 79 ARG N N 76 122.800 123.635 -0.835 1
1 967 . 4 1 1 A 80 80 PHE H H 77 9.220 9.620 -0.400 1
1 968 . 4 1 1 A 80 80 PHE HA H 77 5.630 5.383 0.247 1
1 976 . 4 1 1 A 80 80 PHE C C 77 175.300 174.832 0.468 1
1 977 . 4 1 1 A 80 80 PHE CA C 77 55.800 56.459 -0.659 1
1 978 . 4 1 1 A 80 80 PHE CB C 77 41.300 41.965 -0.665 1
1 984 . 4 1 1 A 80 80 PHE N N 77 119.400 122.567 -3.167 1
1 985 . 4 1 1 A 81 81 ARG H H 78 9.870 9.278 0.592 1
1 986 . 4 1 1 A 81 81 ARG HA H 78 3.490 3.882 -0.392 1
1 996 . 4 1 1 A 81 81 ARG C C 78 177.400 176.094 1.306 1
1 997 . 4 1 1 A 81 81 ARG CA C 78 58.100 55.708 2.392 1
1 998 . 4 1 1 A 81 81 ARG CB C 78 30.500 29.683 0.817 1
1 1001 . 4 1 1 A 81 81 ARG N N 78 130.100 124.261 5.839 1
1 1004 . 4 1 1 A 82 82 LEU H H 79 7.860 7.822 0.038 1
1 1005 . 4 1 1 A 82 82 LEU HA H 79 3.790 3.786 0.004 1
1 1015 . 4 1 1 A 82 82 LEU C C 79 177.500 178.304 -0.804 1
1 1016 . 4 1 1 A 82 82 LEU CA C 79 57.600 57.168 0.432 1
1 1017 . 4 1 1 A 82 82 LEU CB C 79 39.600 40.642 -1.042 1
1 1021 . 4 1 1 A 82 82 LEU N N 79 125.300 127.154 -1.854 1
1 1022 . 4 1 1 A 83 83 SER H H 80 8.000 7.762 0.238 1
1 1023 . 4 1 1 A 83 83 SER HA H 80 4.200 3.802 0.398 1
1 1026 . 4 1 1 A 83 83 SER C C 80 176.600 175.347 1.253 1
1 1027 . 4 1 1 A 83 83 SER CA C 80 60.100 61.250 -1.150 1
1 1028 . 4 1 1 A 83 83 SER CB C 80 62.500 61.854 0.646 1
1 1029 . 4 1 1 A 83 83 SER N N 80 109.700 113.413 -3.713 1
1 1030 . 4 1 1 A 84 84 ASP H H 81 7.100 7.233 -0.133 1
1 1031 . 4 1 1 A 84 84 ASP HA H 81 4.090 4.287 -0.197 1
1 1034 . 4 1 1 A 84 84 ASP C C 81 175.900 176.722 -0.822 1
1 1035 . 4 1 1 A 84 84 ASP CA C 81 53.500 53.465 0.035 1
1 1036 . 4 1 1 A 84 84 ASP CB C 81 41.900 42.106 -0.206 1
1 1037 . 4 1 1 A 84 84 ASP N N 81 117.300 118.287 -0.987 1
1 1038 . 4 1 1 A 85 85 GLY H H 82 8.860 7.977 0.883 1
1 1039 . 4 1 1 A 85 85 GLY HA2 H 82 3.590 3.940 -0.350 1
1 1040 . 4 1 1 A 85 85 GLY HA3 H 82 4.810 3.965 0.845 1
1 1041 . 4 1 1 A 85 85 GLY C C 82 173.700 174.495 -0.795 1
1 1042 . 4 1 1 A 85 85 GLY CA C 82 45.900 46.281 -0.381 1
1 1043 . 4 1 1 A 85 85 GLY N N 82 111.300 109.538 1.762 1
1 1044 . 4 1 1 A 86 86 LEU H H 83 7.430 7.401 0.029 1
1 1045 . 4 1 1 A 86 86 LEU HA H 83 4.290 5.114 -0.824 1
1 1055 . 4 1 1 A 86 86 LEU C C 83 176.600 175.823 0.777 1
1 1056 . 4 1 1 A 86 86 LEU CA C 83 56.200 54.194 2.006 1
1 1057 . 4 1 1 A 86 86 LEU CB C 83 43.100 43.300 -0.200 1
1 1061 . 4 1 1 A 86 86 LEU N N 83 120.800 122.549 -1.749 1
1 1062 . 4 1 1 A 87 87 CYS H H 84 8.080 9.229 -1.149 1
1 1063 . 4 1 1 A 87 87 CYS HA H 84 5.290 4.564 0.726 1
1 1066 . 4 1 1 A 87 87 CYS C C 84 175.300 175.315 -0.015 1
1 1067 . 4 1 1 A 87 87 CYS CA C 84 56.600 59.117 -2.517 1
1 1068 . 4 1 1 A 87 87 CYS CB C 84 27.800 29.150 -1.350 1
1 1069 . 4 1 1 A 87 87 CYS N N 84 126.300 125.718 0.582 1
1 1070 . 4 1 1 A 88 88 MET H H 85 8.760 8.420 0.340 1
1 1071 . 4 1 1 A 88 88 MET HA H 85 3.630 4.094 -0.464 1
1 1079 . 4 1 1 A 88 88 MET C C 85 177.500 177.866 -0.366 1
1 1080 . 4 1 1 A 88 88 MET CA C 85 58.800 58.559 0.241 1
1 1081 . 4 1 1 A 88 88 MET CB C 85 33.800 32.121 1.679 1
1 1084 . 4 1 1 A 88 88 MET N N 85 130.500 126.672 3.828 1
1 1085 . 4 1 1 A 89 89 GLU H H 86 9.160 7.734 1.426 1
1 1086 . 4 1 1 A 89 89 GLU HA H 86 3.770 4.089 -0.319 1
1 1091 . 4 1 1 A 89 89 GLU C C 86 177.500 177.518 -0.018 1
1 1092 . 4 1 1 A 89 89 GLU CA C 86 60.900 58.692 2.208 1
1 1093 . 4 1 1 A 89 89 GLU CB C 86 29.300 29.723 -0.423 1
1 1095 . 4 1 1 A 89 89 GLU N N 86 119.200 119.499 -0.299 1
1 1096 . 4 1 1 A 90 90 ASP H H 87 7.080 7.835 -0.755 1
1 1097 . 4 1 1 A 90 90 ASP HA H 87 4.590 4.877 -0.287 1
1 1100 . 4 1 1 A 90 90 ASP CA C 87 54.700 54.053 0.647 1
1 1101 . 4 1 1 A 90 90 ASP CB C 87 41.800 41.336 0.464 1
1 1102 . 4 1 1 A 90 90 ASP N N 87 115.800 118.197 -2.397 1
1 1103 . 4 1 1 A 91 91 GLU H H 88 9.340 8.154 1.186 1
1 1104 . 4 1 1 A 91 91 GLU HA H 88 4.290 4.248 0.042 1
1 1109 . 4 1 1 A 91 91 GLU C C 88 178.900 178.410 0.490 1
1 1110 . 4 1 1 A 91 91 GLU CA C 88 59.000 59.499 -0.499 1
1 1111 . 4 1 1 A 91 91 GLU CB C 88 29.100 29.181 -0.081 1
1 1113 . 4 1 1 A 91 91 GLU N N 88 127.400 119.641 7.759 1
1 1114 . 4 1 1 A 92 92 GLN H H 89 8.920 7.836 1.084 1
1 1115 . 4 1 1 A 92 92 GLN HA H 89 4.170 3.942 0.228 1
1 1122 . 4 1 1 A 92 92 GLN C C 89 176.600 177.028 -0.428 1
1 1123 . 4 1 1 A 92 92 GLN CA C 89 57.800 58.205 -0.405 1
1 1124 . 4 1 1 A 92 92 GLN CB C 89 28.400 28.207 0.193 1
1 1127 . 4 1 1 A 92 92 GLN N N 89 120.400 119.786 0.614 1
1 1129 . 4 1 1 A 93 93 PHE H H 90 8.150 8.771 -0.621 1
1 1130 . 4 1 1 A 93 93 PHE HA H 90 4.430 4.863 -0.433 1
1 1138 . 4 1 1 A 93 93 PHE C C 90 172.600 175.500 -2.900 1
1 1139 . 4 1 1 A 93 93 PHE CA C 90 57.800 56.721 1.079 1
1 1140 . 4 1 1 A 93 93 PHE CB C 90 39.300 37.959 1.341 1
1 1146 . 4 1 1 A 93 93 PHE N N 90 119.700 117.095 2.605 1
1 1147 . 4 1 1 A 94 94 SER H H 91 7.020 7.574 -0.554 1
1 1148 . 4 1 1 A 94 94 SER HA H 91 4.870 4.677 0.193 1
1 1152 . 4 1 1 A 94 94 SER C C 91 174.100 174.293 -0.193 1
1 1153 . 4 1 1 A 94 94 SER CA C 91 60.900 58.565 2.335 1
1 1154 . 4 1 1 A 94 94 SER CB C 91 63.600 64.438 -0.838 1
1 1155 . 4 1 1 A 94 94 SER N N 91 112.700 115.922 -3.222 1
1 1156 . 4 1 1 A 95 95 VAL H H 92 9.120 8.034 1.086 1
1 1157 . 4 1 1 A 95 95 VAL HA H 92 4.810 4.519 0.291 1
1 1165 . 4 1 1 A 95 95 VAL C C 92 175.700 174.859 0.841 1
1 1166 . 4 1 1 A 95 95 VAL CA C 92 59.200 60.264 -1.064 1
1 1167 . 4 1 1 A 95 95 VAL CB C 92 35.700 33.953 1.747 1
1 1170 . 4 1 1 A 95 95 VAL N N 92 116.900 120.305 -3.405 1
1 1171 . 4 1 1 A 96 96 LYS H H 93 8.390 8.324 0.066 1
1 1172 . 4 1 1 A 96 96 LYS HA H 93 4.010 4.522 -0.512 1
1 1181 . 4 1 1 A 96 96 LYS C C 93 174.800 174.902 -0.102 1
1 1182 . 4 1 1 A 96 96 LYS CA C 93 57.700 55.606 2.094 1
1 1183 . 4 1 1 A 96 96 LYS CB C 93 34.000 33.477 0.523 1
1 1187 . 4 1 1 A 96 96 LYS N N 93 120.300 123.044 -2.744 1
1 1188 . 4 1 1 A 97 97 HIS H H 94 8.030 8.637 -0.607 1
1 1189 . 4 1 1 A 97 97 HIS HA H 94 5.060 5.319 -0.259 1
1 1194 . 4 1 1 A 97 97 HIS C C 94 172.600 173.051 -0.451 1
1 1195 . 4 1 1 A 97 97 HIS CA C 94 54.700 54.339 0.361 1
1 1196 . 4 1 1 A 97 97 HIS CB C 94 31.400 32.813 -1.413 1
1 1199 . 4 1 1 A 97 97 HIS N N 94 121.000 126.980 -5.980 1
1 1200 . 4 1 1 A 98 98 TYR H H 95 7.610 8.847 -1.237 1
1 1201 . 4 1 1 A 98 98 TYR HA H 95 4.410 4.749 -0.339 1
1 1208 . 4 1 1 A 98 98 TYR C C 95 173.600 175.487 -1.887 1
1 1209 . 4 1 1 A 98 98 TYR CA C 95 56.400 57.287 -0.887 1
1 1210 . 4 1 1 A 98 98 TYR CB C 95 40.900 41.936 -1.036 1
1 1215 . 4 1 1 A 98 98 TYR N N 95 121.800 125.920 -4.120 1
1 1216 . 4 1 1 A 99 99 GLU H H 96 8.480 8.636 -0.156 1
1 1217 . 4 1 1 A 99 99 GLU HA H 96 4.420 4.711 -0.291 1
1 1222 . 4 1 1 A 99 99 GLU C C 96 174.300 175.907 -1.607 1
1 1223 . 4 1 1 A 99 99 GLU CA C 96 56.600 55.919 0.681 1
1 1224 . 4 1 1 A 99 99 GLU CB C 96 30.700 31.387 -0.687 1
1 1226 . 4 1 1 A 99 99 GLU N N 96 122.200 120.873 1.327 1
1 1227 . 4 1 1 A 100 100 ALA H H 97 8.420 8.959 -0.539 1
1 1228 . 4 1 1 A 100 100 ALA HA H 97 5.940 5.828 0.112 1
1 1232 . 4 1 1 A 100 100 ALA C C 97 176.100 175.717 0.383 1
1 1233 . 4 1 1 A 100 100 ALA CA C 97 50.400 50.337 0.063 1
1 1234 . 4 1 1 A 100 100 ALA CB C 97 23.700 23.018 0.682 1
1 1235 . 4 1 1 A 100 100 ALA N N 97 124.100 126.199 -2.099 1
1 1236 . 4 1 1 A 101 101 ARG H H 98 9.000 8.930 0.070 1
1 1237 . 4 1 1 A 101 101 ARG HA H 98 4.640 5.000 -0.360 1
1 1245 . 4 1 1 A 101 101 ARG C C 98 172.100 173.680 -1.580 1
1 1246 . 4 1 1 A 101 101 ARG CA C 98 54.200 54.449 -0.249 1
1 1247 . 4 1 1 A 101 101 ARG CB C 98 32.800 34.120 -1.320 1
1 1250 . 4 1 1 A 101 101 ARG N N 98 118.400 117.262 1.138 1
1 1252 . 4 1 1 A 102 102 VAL H H 99 8.330 8.697 -0.367 1
1 1253 . 4 1 1 A 102 102 VAL HA H 99 4.720 4.512 0.208 1
1 1261 . 4 1 1 A 102 102 VAL C C 99 175.200 174.355 0.845 1
1 1262 . 4 1 1 A 102 102 VAL CA C 99 61.100 61.484 -0.384 1
1 1263 . 4 1 1 A 102 102 VAL CB C 99 32.700 32.752 -0.052 1
1 1266 . 4 1 1 A 102 102 VAL N N 99 119.500 122.329 -2.829 1
1 1267 . 4 1 1 A 103 103 LYS H H 100 9.070 9.580 -0.510 1
1 1268 . 4 1 1 A 103 103 LYS HA H 100 4.460 4.432 0.028 1
1 1277 . 4 1 1 A 103 103 LYS C C 100 175.700 175.662 0.038 1
1 1278 . 4 1 1 A 103 103 LYS CA C 100 54.300 54.883 -0.583 1
1 1279 . 4 1 1 A 103 103 LYS CB C 100 34.800 32.597 2.203 1
1 1283 . 4 1 1 A 103 103 LYS N N 100 130.200 128.613 1.587 1
1 1284 . 4 1 1 A 104 104 ASP H H 101 9.560 9.463 0.097 1
1 1285 . 4 1 1 A 104 104 ASP HA H 101 4.210 4.344 -0.134 1
1 1288 . 4 1 1 A 104 104 ASP C C 101 175.800 176.075 -0.275 1
1 1289 . 4 1 1 A 104 104 ASP CA C 101 55.500 55.311 0.189 1
1 1290 . 4 1 1 A 104 104 ASP CB C 101 39.700 39.299 0.401 1
1 1291 . 4 1 1 A 104 104 ASP N N 101 130.600 126.632 3.968 1
1 1292 . 4 1 1 A 105 105 GLY H H 102 8.260 8.273 -0.013 1
1 1293 . 4 1 1 A 105 105 GLY HA2 H 102 3.450 3.968 -0.518 1
1 1294 . 4 1 1 A 105 105 GLY HA3 H 102 4.170 3.971 0.199 1
1 1295 . 4 1 1 A 105 105 GLY C C 102 173.300 173.591 -0.291 1
1 1296 . 4 1 1 A 105 105 GLY CA C 102 45.300 44.945 0.355 1
1 1297 . 4 1 1 A 105 105 GLY N N 102 101.900 105.224 -3.324 1
1 1298 . 4 1 1 A 106 106 VAL H H 103 7.900 8.100 -0.200 1
1 1299 . 4 1 1 A 106 106 VAL HA H 103 4.270 4.189 0.081 1
1 1307 . 4 1 1 A 106 106 VAL C C 103 175.100 174.726 0.374 1
1 1308 . 4 1 1 A 106 106 VAL CA C 103 62.100 62.109 -0.009 1
1 1309 . 4 1 1 A 106 106 VAL CB C 103 34.100 32.956 1.144 1
1 1312 . 4 1 1 A 106 106 VAL N N 103 123.800 122.463 1.337 1
1 1313 . 4 1 1 A 107 107 VAL H H 104 9.290 9.234 0.056 1
1 1314 . 4 1 1 A 107 107 VAL HA H 104 4.220 4.150 0.070 1
1 1322 . 4 1 1 A 107 107 VAL C C 104 174.300 175.400 -1.100 1
1 1323 . 4 1 1 A 107 107 VAL CA C 104 62.700 62.913 -0.213 1
1 1324 . 4 1 1 A 107 107 VAL CB C 104 31.500 31.228 0.272 1
1 1327 . 4 1 1 A 107 107 VAL N N 104 127.300 128.196 -0.896 1
1 1328 . 4 1 1 A 108 108 GLN H H 105 9.410 9.185 0.225 1
1 1329 . 4 1 1 A 108 108 GLN HA H 105 5.720 5.559 0.161 1
1 1336 . 4 1 1 A 108 108 GLN C C 105 174.900 174.954 -0.054 1
1 1337 . 4 1 1 A 108 108 GLN CA C 105 53.400 54.491 -1.091 1
1 1338 . 4 1 1 A 108 108 GLN CB C 105 34.600 31.918 2.682 1
1 1341 . 4 1 1 A 108 108 GLN N N 105 126.500 127.191 -0.691 1
1 1343 . 4 1 1 A 109 109 LEU H H 106 8.530 9.122 -0.592 1
1 1344 . 4 1 1 A 109 109 LEU HA H 106 5.760 5.572 0.188 1
1 1354 . 4 1 1 A 109 109 LEU C C 106 176.300 175.191 1.109 1
1 1355 . 4 1 1 A 109 109 LEU CA C 106 52.800 53.317 -0.517 1
1 1356 . 4 1 1 A 109 109 LEU CB C 106 48.900 45.674 3.226 1
1 1360 . 4 1 1 A 109 109 LEU N N 106 118.900 123.062 -4.162 1
1 1361 . 4 1 1 A 110 110 ARG H H 107 8.310 9.039 -0.729 1
1 1362 . 4 1 1 A 110 110 ARG HA H 107 4.230 4.611 -0.381 1
1 1370 . 4 1 1 A 110 110 ARG C C 107 174.800 175.186 -0.386 1
1 1371 . 4 1 1 A 110 110 ARG CA C 107 55.700 53.891 1.809 1
1 1372 . 4 1 1 A 110 110 ARG CB C 107 31.900 31.471 0.429 1
1 1375 . 4 1 1 A 110 110 ARG N N 107 119.900 123.954 -4.054 1
1 1377 . 4 1 1 A 111 111 GLY H H 108 8.390 8.879 -0.489 1
1 1378 . 4 1 1 A 111 111 GLY HA2 H 108 3.880 4.417 -0.537 1
1 1379 . 4 1 1 A 111 111 GLY HA3 H 108 4.130 4.487 -0.357 1
1 1380 . 4 1 1 A 111 111 GLY C C 108 173.500 172.299 1.201 1
1 1381 . 4 1 1 A 111 111 GLY CA C 108 45.000 44.138 0.862 1
1 1382 . 4 1 1 A 111 111 GLY N N 108 110.000 113.126 -3.126 1
1 1383 . 4 1 1 A 112 112 GLY H H 109 8.280 8.950 -0.670 1
1 1384 . 4 1 1 A 112 112 GLY HA2 H 109 3.850 3.852 -0.002 1
1 1385 . 4 1 1 A 112 112 GLY HA3 H 109 3.950 3.858 0.092 1
1 1386 . 4 1 1 A 112 112 GLY C C 109 173.200 173.873 -0.673 1
1 1387 . 4 1 1 A 112 112 GLY CA C 109 45.100 47.134 -2.034 1
1 1388 . 4 1 1 A 112 112 GLY N N 109 108.400 108.420 -0.020 1
1 10 . 5 1 1 A 5 5 SER H H 2 8.360 8.737 -0.377 1
1 11 . 5 1 1 A 5 5 SER HA H 2 4.400 4.722 -0.322 1
1 14 . 5 1 1 A 5 5 SER C C 2 174.100 172.764 1.336 1
1 15 . 5 1 1 A 5 5 SER CA C 2 58.200 58.316 -0.116 1
1 16 . 5 1 1 A 5 5 SER CB C 2 63.700 63.578 0.122 1
1 17 . 5 1 1 A 5 5 SER N N 2 117.000 118.211 -1.211 1
1 18 . 5 1 1 A 6 6 GLN H H 3 8.280 8.681 -0.401 1
1 19 . 5 1 1 A 6 6 GLN HA H 3 4.320 4.638 -0.318 1
1 26 . 5 1 1 A 6 6 GLN C C 3 175.500 174.385 1.115 1
1 27 . 5 1 1 A 6 6 GLN CA C 3 55.400 54.297 1.103 1
1 28 . 5 1 1 A 6 6 GLN CB C 3 30.100 29.400 0.700 1
1 31 . 5 1 1 A 6 6 GLN N N 3 121.800 126.595 -4.795 1
1 33 . 5 1 1 A 7 7 TRP H H 4 8.170 8.909 -0.739 1
1 34 . 5 1 1 A 7 7 TRP HA H 4 4.470 5.061 -0.591 1
1 43 . 5 1 1 A 7 7 TRP C C 4 176.200 175.433 0.767 1
1 44 . 5 1 1 A 7 7 TRP CA C 4 57.600 56.507 1.093 1
1 45 . 5 1 1 A 7 7 TRP CB C 4 30.300 28.653 1.647 1
1 51 . 5 1 1 A 7 7 TRP N N 4 122.300 127.967 -5.667 1
1 53 . 5 1 1 A 8 8 LYS H H 5 9.370 8.651 0.719 1
1 54 . 5 1 1 A 8 8 LYS HA H 5 4.690 4.771 -0.081 1
1 63 . 5 1 1 A 8 8 LYS C C 5 175.600 175.633 -0.033 1
1 64 . 5 1 1 A 8 8 LYS CA C 5 54.200 55.686 -1.486 1
1 65 . 5 1 1 A 8 8 LYS CB C 5 34.700 33.977 0.723 1
1 69 . 5 1 1 A 8 8 LYS N N 5 125.100 126.369 -1.269 1
1 70 . 5 1 1 A 9 9 ASP H H 6 8.730 8.891 -0.161 1
1 71 . 5 1 1 A 9 9 ASP HA H 6 4.500 4.681 -0.181 1
1 74 . 5 1 1 A 9 9 ASP C C 6 176.200 175.735 0.465 1
1 75 . 5 1 1 A 9 9 ASP CA C 6 55.400 54.853 0.547 1
1 76 . 5 1 1 A 9 9 ASP CB C 6 40.700 40.607 0.093 1
1 77 . 5 1 1 A 9 9 ASP N N 6 125.400 126.875 -1.475 1
1 78 . 5 1 1 A 10 10 ILE H H 7 9.300 9.289 0.011 1
1 79 . 5 1 1 A 10 10 ILE HA H 7 4.300 4.018 0.282 1
1 89 . 5 1 1 A 10 10 ILE C C 7 175.500 176.327 -0.827 1
1 90 . 5 1 1 A 10 10 ILE CA C 7 60.000 63.368 -3.368 1
1 91 . 5 1 1 A 10 10 ILE CB C 7 37.700 38.389 -0.689 1
1 95 . 5 1 1 A 10 10 ILE N N 7 122.900 126.172 -3.272 1
1 96 . 5 1 1 A 11 11 CYS H H 8 7.510 7.604 -0.094 1
1 97 . 5 1 1 A 11 11 CYS HA H 8 4.880 4.657 0.223 1
1 100 . 5 1 1 A 11 11 CYS C C 8 172.300 172.999 -0.699 1
1 101 . 5 1 1 A 11 11 CYS CA C 8 55.700 57.264 -1.564 1
1 102 . 5 1 1 A 11 11 CYS CB C 8 28.800 30.140 -1.340 1
1 103 . 5 1 1 A 11 11 CYS N N 8 111.400 115.502 -4.102 1
1 104 . 5 1 1 A 12 12 LYS H H 9 8.920 8.640 0.280 1
1 105 . 5 1 1 A 12 12 LYS HA H 9 4.880 4.634 0.246 1
1 114 . 5 1 1 A 12 12 LYS C C 9 179.400 178.151 1.249 1
1 115 . 5 1 1 A 12 12 LYS CA C 9 55.700 55.611 0.089 1
1 116 . 5 1 1 A 12 12 LYS CB C 9 32.100 33.292 -1.192 1
1 120 . 5 1 1 A 12 12 LYS N N 9 120.100 119.627 0.473 1
1 121 . 5 1 1 A 13 13 ILE H H 10 8.640 9.369 -0.729 1
1 122 . 5 1 1 A 13 13 ILE HA H 10 3.990 3.980 0.010 1
1 132 . 5 1 1 A 13 13 ILE C C 10 174.900 176.824 -1.924 1
1 133 . 5 1 1 A 13 13 ILE CA C 10 61.000 63.241 -2.241 1
1 134 . 5 1 1 A 13 13 ILE CB C 10 37.800 38.114 -0.314 1
1 138 . 5 1 1 A 13 13 ILE N N 10 123.700 124.829 -1.129 1
1 139 . 5 1 1 A 14 14 ASP H H 11 7.600 8.060 -0.460 1
1 140 . 5 1 1 A 14 14 ASP HA H 11 4.350 4.405 -0.055 1
1 143 . 5 1 1 A 14 14 ASP C C 11 176.500 177.641 -1.141 1
1 144 . 5 1 1 A 14 14 ASP CA C 11 55.400 56.615 -1.215 1
1 145 . 5 1 1 A 14 14 ASP CB C 11 40.400 40.606 -0.206 1
1 146 . 5 1 1 A 14 14 ASP N N 11 115.800 121.672 -5.872 1
1 147 . 5 1 1 A 15 15 ASP H H 12 7.600 8.134 -0.534 1
1 148 . 5 1 1 A 15 15 ASP HA H 12 4.490 4.449 0.041 1
1 151 . 5 1 1 A 15 15 ASP C C 12 175.600 176.261 -0.661 1
1 152 . 5 1 1 A 15 15 ASP CA C 12 55.500 56.791 -1.291 1
1 153 . 5 1 1 A 15 15 ASP CB C 12 40.900 41.226 -0.326 1
1 154 . 5 1 1 A 15 15 ASP N N 12 116.800 118.583 -1.783 1
1 155 . 5 1 1 A 16 16 ILE H H 13 7.700 7.294 0.406 1
1 156 . 5 1 1 A 16 16 ILE HA H 13 4.000 4.199 -0.199 1
1 166 . 5 1 1 A 16 16 ILE C C 13 174.100 174.830 -0.730 1
1 167 . 5 1 1 A 16 16 ILE CA C 13 60.500 60.977 -0.477 1
1 168 . 5 1 1 A 16 16 ILE CB C 13 38.200 36.934 1.266 1
1 172 . 5 1 1 A 16 16 ILE N N 13 120.900 119.647 1.253 1
1 173 . 5 1 1 A 17 17 LEU H H 14 7.970 8.707 -0.737 1
1 174 . 5 1 1 A 17 17 LEU HA H 14 4.370 4.526 -0.156 1
1 184 . 5 1 1 A 17 17 LEU CA C 14 53.800 53.249 0.551 1
1 185 . 5 1 1 A 17 17 LEU CB C 14 40.500 40.798 -0.298 1
1 189 . 5 1 1 A 17 17 LEU N N 14 127.800 129.756 -1.956 1
1 190 . 5 1 1 A 18 18 PRO HA H 15 4.080 4.234 -0.154 1
1 197 . 5 1 1 A 18 18 PRO C C 15 175.700 176.700 -1.000 1
1 198 . 5 1 1 A 18 18 PRO CA C 15 64.300 63.557 0.743 1
1 199 . 5 1 1 A 18 18 PRO CB C 15 31.600 31.715 -0.115 1
1 202 . 5 1 1 A 19 19 GLU H H 16 8.930 8.763 0.167 1
1 203 . 5 1 1 A 19 19 GLU HA H 16 3.660 3.859 -0.199 1
1 208 . 5 1 1 A 19 19 GLU C C 16 175.500 174.858 0.642 1
1 209 . 5 1 1 A 19 19 GLU CA C 16 58.300 57.405 0.895 1
1 210 . 5 1 1 A 19 19 GLU CB C 16 27.300 28.615 -1.315 1
1 212 . 5 1 1 A 19 19 GLU N N 16 113.700 116.272 -2.572 1
1 213 . 5 1 1 A 20 20 THR H H 17 7.790 7.275 0.515 1
1 214 . 5 1 1 A 20 20 THR HA H 17 5.080 4.894 0.186 1
1 220 . 5 1 1 A 20 20 THR C C 17 172.100 173.304 -1.204 1
1 221 . 5 1 1 A 20 20 THR CA C 17 60.700 60.386 0.314 1
1 222 . 5 1 1 A 20 20 THR CB C 17 73.100 71.491 1.609 1
1 224 . 5 1 1 A 20 20 THR N N 17 110.000 113.395 -3.395 1
1 225 . 5 1 1 A 21 21 GLY H H 18 8.080 8.939 -0.859 1
1 226 . 5 1 1 A 21 21 GLY HA2 H 18 3.070 4.164 -1.094 1
1 227 . 5 1 1 A 21 21 GLY HA3 H 18 5.270 4.291 0.979 1
1 228 . 5 1 1 A 21 21 GLY C C 18 173.400 172.219 1.181 1
1 229 . 5 1 1 A 21 21 GLY CA C 18 44.600 44.313 0.287 1
1 230 . 5 1 1 A 21 21 GLY N N 18 103.700 113.871 -10.171 1
1 231 . 5 1 1 A 22 22 VAL H H 19 8.520 9.093 -0.573 1
1 232 . 5 1 1 A 22 22 VAL HA H 19 4.570 4.911 -0.341 1
1 240 . 5 1 1 A 22 22 VAL C C 19 172.900 174.190 -1.290 1
1 241 . 5 1 1 A 22 22 VAL CA C 19 58.900 58.713 0.187 1
1 242 . 5 1 1 A 22 22 VAL CB C 19 35.900 35.400 0.500 1
1 245 . 5 1 1 A 22 22 VAL N N 19 112.900 117.823 -4.923 1
1 246 . 5 1 1 A 23 23 CYS H H 20 8.290 8.676 -0.386 1
1 247 . 5 1 1 A 23 23 CYS HA H 20 5.250 5.052 0.198 1
1 250 . 5 1 1 A 23 23 CYS C C 20 173.500 174.245 -0.745 1
1 251 . 5 1 1 A 23 23 CYS CA C 20 56.300 57.301 -1.001 1
1 252 . 5 1 1 A 23 23 CYS CB C 20 27.600 28.918 -1.318 1
1 253 . 5 1 1 A 23 23 CYS N N 20 120.700 120.764 -0.064 1
1 254 . 5 1 1 A 24 24 ALA H H 21 9.590 9.691 -0.101 1
1 255 . 5 1 1 A 24 24 ALA HA H 21 4.580 5.092 -0.512 1
1 259 . 5 1 1 A 24 24 ALA C C 21 174.400 175.659 -1.259 1
1 260 . 5 1 1 A 24 24 ALA CA C 21 50.200 50.246 -0.046 1
1 261 . 5 1 1 A 24 24 ALA CB C 21 23.400 21.834 1.566 1
1 262 . 5 1 1 A 24 24 ALA N N 21 132.500 127.442 5.058 1
1 263 . 5 1 1 A 25 25 LEU H H 22 8.100 8.743 -0.643 1
1 264 . 5 1 1 A 25 25 LEU HA H 22 4.860 5.075 -0.215 1
1 274 . 5 1 1 A 25 25 LEU C C 22 175.800 174.709 1.091 1
1 275 . 5 1 1 A 25 25 LEU CA C 22 53.800 53.437 0.363 1
1 276 . 5 1 1 A 25 25 LEU CB C 22 43.600 45.239 -1.639 1
1 280 . 5 1 1 A 25 25 LEU N N 22 120.700 117.550 3.150 1
1 281 . 5 1 1 A 26 26 LEU H H 23 8.660 8.525 0.135 1
1 282 . 5 1 1 A 26 26 LEU HA H 23 4.410 4.673 -0.263 1
1 292 . 5 1 1 A 26 26 LEU C C 23 176.600 176.667 -0.067 1
1 293 . 5 1 1 A 26 26 LEU CA C 23 53.100 53.041 0.059 1
1 294 . 5 1 1 A 26 26 LEU CB C 23 43.400 43.691 -0.291 1
1 298 . 5 1 1 A 26 26 LEU N N 23 125.800 126.272 -0.472 1
1 299 . 5 1 1 A 27 27 GLY H H 24 8.910 8.920 -0.010 1
1 300 . 5 1 1 A 27 27 GLY HA2 H 24 3.560 3.825 -0.265 1
1 301 . 5 1 1 A 27 27 GLY HA3 H 24 4.000 3.826 0.174 1
1 302 . 5 1 1 A 27 27 GLY C C 24 173.800 174.373 -0.573 1
1 303 . 5 1 1 A 27 27 GLY CA C 24 47.300 47.315 -0.015 1
1 304 . 5 1 1 A 27 27 GLY N N 24 118.300 116.404 1.896 1
1 305 . 5 1 1 A 28 28 ASP H H 25 8.800 8.626 0.174 1
1 306 . 5 1 1 A 28 28 ASP HA H 25 4.690 4.749 -0.059 1
1 309 . 5 1 1 A 28 28 ASP C C 25 176.100 175.715 0.385 1
1 310 . 5 1 1 A 28 28 ASP CA C 25 53.900 53.359 0.541 1
1 311 . 5 1 1 A 28 28 ASP CB C 25 41.300 41.732 -0.432 1
1 312 . 5 1 1 A 28 28 ASP N N 25 126.600 125.333 1.267 1
1 313 . 5 1 1 A 29 29 GLU H H 26 8.100 7.566 0.534 1
1 314 . 5 1 1 A 29 29 GLU HA H 26 4.440 4.593 -0.153 1
1 319 . 5 1 1 A 29 29 GLU C C 26 174.800 175.878 -1.078 1
1 320 . 5 1 1 A 29 29 GLU CA C 26 55.800 55.910 -0.110 1
1 321 . 5 1 1 A 29 29 GLU CB C 26 30.600 31.003 -0.403 1
1 323 . 5 1 1 A 29 29 GLU N N 26 120.400 121.343 -0.943 1
1 324 . 5 1 1 A 30 30 GLN H H 27 8.640 8.535 0.105 1
1 325 . 5 1 1 A 30 30 GLN HA H 27 4.510 4.704 -0.194 1
1 332 . 5 1 1 A 30 30 GLN C C 27 175.800 174.682 1.118 1
1 333 . 5 1 1 A 30 30 GLN CA C 27 55.700 55.918 -0.218 1
1 334 . 5 1 1 A 30 30 GLN CB C 27 29.300 29.466 -0.166 1
1 336 . 5 1 1 A 30 30 GLN N N 27 121.300 124.413 -3.113 1
1 338 . 5 1 1 A 31 31 VAL H H 28 9.280 9.191 0.089 1
1 339 . 5 1 1 A 31 31 VAL HA H 28 4.040 4.685 -0.645 1
1 347 . 5 1 1 A 31 31 VAL C C 28 172.900 174.256 -1.356 1
1 348 . 5 1 1 A 31 31 VAL CA C 28 61.900 60.862 1.038 1
1 349 . 5 1 1 A 31 31 VAL CB C 28 34.800 33.965 0.835 1
1 352 . 5 1 1 A 31 31 VAL N N 28 128.600 125.629 2.971 1
1 353 . 5 1 1 A 32 32 ALA H H 29 9.440 9.419 0.021 1
1 354 . 5 1 1 A 32 32 ALA HA H 29 4.680 4.941 -0.261 1
1 358 . 5 1 1 A 32 32 ALA C C 29 175.200 175.475 -0.275 1
1 359 . 5 1 1 A 32 32 ALA CA C 29 50.500 50.139 0.361 1
1 360 . 5 1 1 A 32 32 ALA CB C 29 20.200 20.246 -0.046 1
1 361 . 5 1 1 A 32 32 ALA N N 29 130.400 128.670 1.730 1
1 362 . 5 1 1 A 33 33 ILE H H 30 8.590 9.279 -0.689 1
1 363 . 5 1 1 A 33 33 ILE HA H 30 4.680 4.876 -0.196 1
1 373 . 5 1 1 A 33 33 ILE C C 30 174.800 174.738 0.062 1
1 374 . 5 1 1 A 33 33 ILE CA C 30 59.900 60.275 -0.375 1
1 375 . 5 1 1 A 33 33 ILE CB C 30 39.300 38.706 0.594 1
1 379 . 5 1 1 A 33 33 ILE N N 30 120.600 123.708 -3.108 1
1 380 . 5 1 1 A 34 34 PHE H H 31 9.430 9.608 -0.178 1
1 381 . 5 1 1 A 34 34 PHE HA H 31 5.070 5.205 -0.135 1
1 386 . 5 1 1 A 34 34 PHE C C 31 174.800 174.385 0.415 1
1 387 . 5 1 1 A 34 34 PHE CA C 31 57.200 56.320 0.880 1
1 388 . 5 1 1 A 34 34 PHE CB C 31 43.400 41.891 1.509 1
1 391 . 5 1 1 A 34 34 PHE N N 31 121.800 125.996 -4.196 1
1 392 . 5 1 1 A 35 35 ARG H H 32 8.450 8.979 -0.529 1
1 393 . 5 1 1 A 35 35 ARG HA H 32 5.470 4.970 0.500 1
1 403 . 5 1 1 A 35 35 ARG CA C 32 52.000 52.501 -0.501 1
1 404 . 5 1 1 A 35 35 ARG CB C 32 33.200 31.435 1.765 1
1 407 . 5 1 1 A 35 35 ARG N N 32 123.000 124.976 -1.976 1
1 410 . 5 1 1 A 36 36 PRO HA H 33 3.910 4.486 -0.576 1
1 417 . 5 1 1 A 36 36 PRO C C 33 174.300 175.998 -1.698 1
1 418 . 5 1 1 A 36 36 PRO CA C 33 64.600 65.243 -0.643 1
1 419 . 5 1 1 A 36 36 PRO CB C 33 32.800 32.147 0.653 1
1 422 . 5 1 1 A 37 37 TYR H H 34 9.000 7.690 1.310 1
1 423 . 5 1 1 A 37 37 TYR HA H 34 5.250 4.852 0.398 1
1 430 . 5 1 1 A 37 37 TYR C C 34 175.000 176.612 -1.612 1
1 431 . 5 1 1 A 37 37 TYR CA C 34 54.200 57.674 -3.474 1
1 432 . 5 1 1 A 37 37 TYR CB C 34 41.000 40.051 0.949 1
1 437 . 5 1 1 A 37 37 TYR N N 34 115.500 118.196 -2.696 1
1 438 . 5 1 1 A 38 38 HIS H H 35 8.700 9.000 -0.300 1
1 439 . 5 1 1 A 38 38 HIS HA H 35 4.490 4.504 -0.014 1
1 444 . 5 1 1 A 38 38 HIS C C 35 175.800 174.964 0.836 1
1 445 . 5 1 1 A 38 38 HIS CA C 35 56.400 57.347 -0.947 1
1 446 . 5 1 1 A 38 38 HIS CB C 35 28.600 30.222 -1.622 1
1 449 . 5 1 1 A 38 38 HIS N N 35 119.000 122.220 -3.220 1
1 450 . 5 1 1 A 39 39 SER H H 36 7.890 8.054 -0.164 1
1 451 . 5 1 1 A 39 39 SER HA H 36 4.770 4.686 0.084 1
1 454 . 5 1 1 A 39 39 SER C C 36 173.800 174.036 -0.236 1
1 455 . 5 1 1 A 39 39 SER CA C 36 57.000 57.183 -0.183 1
1 456 . 5 1 1 A 39 39 SER CB C 36 64.700 64.765 -0.065 1
1 457 . 5 1 1 A 39 39 SER N N 36 115.500 114.798 0.702 1
1 458 . 5 1 1 A 40 40 ASP H H 37 8.540 8.505 0.035 1
1 459 . 5 1 1 A 40 40 ASP HA H 37 4.540 4.770 -0.230 1
1 462 . 5 1 1 A 40 40 ASP C C 37 174.700 176.160 -1.460 1
1 463 . 5 1 1 A 40 40 ASP CA C 37 53.800 54.572 -0.772 1
1 464 . 5 1 1 A 40 40 ASP CB C 37 39.600 41.609 -2.009 1
1 465 . 5 1 1 A 40 40 ASP N N 37 119.400 121.368 -1.968 1
1 466 . 5 1 1 A 41 41 GLN H H 38 7.490 7.716 -0.226 1
1 467 . 5 1 1 A 41 41 GLN HA H 38 4.140 4.352 -0.212 1
1 474 . 5 1 1 A 41 41 GLN C C 38 175.500 175.491 0.009 1
1 475 . 5 1 1 A 41 41 GLN CA C 38 57.100 55.671 1.429 1
1 476 . 5 1 1 A 41 41 GLN CB C 38 29.400 29.659 -0.259 1
1 479 . 5 1 1 A 41 41 GLN N N 38 118.700 119.908 -1.208 1
1 481 . 5 1 1 A 42 42 VAL H H 39 7.800 8.695 -0.895 1
1 482 . 5 1 1 A 42 42 VAL HA H 39 5.600 5.004 0.596 1
1 490 . 5 1 1 A 42 42 VAL C C 39 174.200 174.044 0.156 1
1 491 . 5 1 1 A 42 42 VAL CA C 39 58.200 59.340 -1.140 1
1 492 . 5 1 1 A 42 42 VAL CB C 39 36.500 35.028 1.472 1
1 495 . 5 1 1 A 42 42 VAL N N 39 116.100 117.902 -1.802 1
1 496 . 5 1 1 A 43 43 PHE H H 40 8.480 9.414 -0.934 1
1 497 . 5 1 1 A 43 43 PHE HA H 40 4.870 5.293 -0.423 1
1 504 . 5 1 1 A 43 43 PHE C C 40 173.900 174.638 -0.738 1
1 505 . 5 1 1 A 43 43 PHE CA C 40 56.800 56.237 0.563 1
1 506 . 5 1 1 A 43 43 PHE CB C 40 45.300 43.819 1.481 1
1 511 . 5 1 1 A 43 43 PHE N N 40 117.200 121.795 -4.595 1
1 512 . 5 1 1 A 44 44 ALA H H 41 9.520 8.916 0.604 1
1 513 . 5 1 1 A 44 44 ALA HA H 41 6.200 5.575 0.625 1
1 517 . 5 1 1 A 44 44 ALA C C 41 176.300 175.903 0.397 1
1 518 . 5 1 1 A 44 44 ALA CA C 41 50.900 50.764 0.136 1
1 519 . 5 1 1 A 44 44 ALA CB C 41 24.100 22.272 1.828 1
1 520 . 5 1 1 A 44 44 ALA N N 41 125.100 122.610 2.490 1
1 521 . 5 1 1 A 45 45 ILE H H 42 8.970 8.852 0.118 1
1 522 . 5 1 1 A 45 45 ILE HA H 42 5.580 5.337 0.243 1
1 532 . 5 1 1 A 45 45 ILE C C 42 174.600 175.029 -0.429 1
1 533 . 5 1 1 A 45 45 ILE CA C 42 59.300 58.789 0.511 1
1 534 . 5 1 1 A 45 45 ILE CB C 42 44.300 42.117 2.183 1
1 538 . 5 1 1 A 45 45 ILE N N 42 117.100 118.358 -1.258 1
1 539 . 5 1 1 A 46 46 SER H H 43 8.460 8.317 0.143 1
1 540 . 5 1 1 A 46 46 SER HA H 43 4.350 4.562 -0.212 1
1 543 . 5 1 1 A 46 46 SER C C 43 172.100 174.622 -2.522 1
1 544 . 5 1 1 A 46 46 SER CA C 43 59.500 60.050 -0.550 1
1 545 . 5 1 1 A 46 46 SER CB C 43 64.900 63.722 1.178 1
1 546 . 5 1 1 A 46 46 SER N N 43 112.400 119.730 -7.330 1
1 547 . 5 1 1 A 47 47 ASN H H 44 7.990 9.210 -1.220 1
1 548 . 5 1 1 A 47 47 ASN HA H 44 4.940 4.588 0.352 1
1 553 . 5 1 1 A 47 47 ASN C C 44 175.800 175.025 0.775 1
1 554 . 5 1 1 A 47 47 ASN CA C 44 53.800 54.515 -0.715 1
1 555 . 5 1 1 A 47 47 ASN CB C 44 40.600 38.863 1.737 1
1 556 . 5 1 1 A 47 47 ASN N N 44 117.800 122.763 -4.963 1
1 558 . 5 1 1 A 48 48 ILE H H 45 8.190 7.940 0.250 1
1 559 . 5 1 1 A 48 48 ILE HA H 45 4.100 5.036 -0.936 1
1 569 . 5 1 1 A 48 48 ILE C C 45 175.200 174.876 0.324 1
1 570 . 5 1 1 A 48 48 ILE CA C 45 59.400 59.963 -0.563 1
1 571 . 5 1 1 A 48 48 ILE CB C 45 36.500 40.860 -4.360 1
1 575 . 5 1 1 A 48 48 ILE N N 45 118.300 118.872 -0.572 1
1 576 . 5 1 1 A 49 49 ASP H H 46 8.720 8.808 -0.088 1
1 577 . 5 1 1 A 49 49 ASP HA H 46 4.530 5.114 -0.584 1
1 580 . 5 1 1 A 49 49 ASP CA C 46 51.400 52.459 -1.059 1
1 581 . 5 1 1 A 49 49 ASP CB C 46 42.900 41.101 1.799 1
1 582 . 5 1 1 A 49 49 ASP N N 46 128.600 128.216 0.384 1
1 583 . 5 1 1 A 50 50 PRO HA H 47 4.500 4.483 0.017 1
1 590 . 5 1 1 A 50 50 PRO C C 47 177.800 177.595 0.205 1
1 591 . 5 1 1 A 50 50 PRO CA C 47 63.700 64.270 -0.570 1
1 592 . 5 1 1 A 50 50 PRO CB C 47 32.200 31.663 0.537 1
1 595 . 5 1 1 A 51 51 PHE H H 48 9.270 7.806 1.464 1
1 596 . 5 1 1 A 51 51 PHE HA H 48 3.980 4.405 -0.425 1
1 601 . 5 1 1 A 51 51 PHE C C 48 177.100 176.902 0.198 1
1 602 . 5 1 1 A 51 51 PHE CA C 48 61.400 60.151 1.249 1
1 603 . 5 1 1 A 51 51 PHE CB C 48 37.900 40.253 -2.353 1
1 606 . 5 1 1 A 51 51 PHE N N 48 121.800 116.031 5.769 1
1 607 . 5 1 1 A 52 52 PHE H H 49 7.440 8.939 -1.499 1
1 608 . 5 1 1 A 52 52 PHE HA H 49 4.560 4.612 -0.052 1
1 616 . 5 1 1 A 52 52 PHE C C 49 176.100 175.839 0.261 1
1 617 . 5 1 1 A 52 52 PHE CA C 49 58.300 59.691 -1.391 1
1 618 . 5 1 1 A 52 52 PHE CB C 49 42.000 39.844 2.156 1
1 624 . 5 1 1 A 52 52 PHE N N 49 114.500 120.616 -6.116 1
1 625 . 5 1 1 A 53 53 GLU H H 50 8.590 8.036 0.554 1
1 626 . 5 1 1 A 53 53 GLU HA H 50 3.780 4.588 -0.808 1
1 631 . 5 1 1 A 53 53 GLU C C 50 175.000 175.514 -0.514 1
1 632 . 5 1 1 A 53 53 GLU CA C 50 57.300 57.194 0.106 1
1 633 . 5 1 1 A 53 53 GLU CB C 50 27.100 27.187 -0.087 1
1 635 . 5 1 1 A 53 53 GLU N N 50 120.300 120.681 -0.381 1
1 636 . 5 1 1 A 54 54 SER H H 51 7.100 8.768 -1.668 1
1 637 . 5 1 1 A 54 54 SER HA H 51 4.910 4.733 0.177 1
1 640 . 5 1 1 A 54 54 SER CA C 51 56.500 58.457 -1.957 1
1 641 . 5 1 1 A 54 54 SER CB C 51 66.100 64.171 1.929 1
1 642 . 5 1 1 A 54 54 SER N N 51 110.300 116.562 -6.262 1
1 643 . 5 1 1 A 55 55 SER HA H 52 4.550 4.331 0.219 1
1 646 . 5 1 1 A 55 55 SER C C 52 173.500 174.650 -1.150 1
1 647 . 5 1 1 A 55 55 SER CA C 52 56.700 62.074 -5.374 1
1 648 . 5 1 1 A 55 55 SER CB C 52 62.100 63.213 -1.113 1
1 649 . 5 1 1 A 56 56 VAL H H 53 7.590 7.644 -0.054 1
1 650 . 5 1 1 A 56 56 VAL HA H 53 4.900 4.519 0.381 1
1 658 . 5 1 1 A 56 56 VAL C C 53 176.800 175.948 0.852 1
1 659 . 5 1 1 A 56 56 VAL CA C 53 61.300 59.963 1.337 1
1 660 . 5 1 1 A 56 56 VAL CB C 53 36.200 34.725 1.475 1
1 663 . 5 1 1 A 56 56 VAL N N 53 117.400 116.399 1.001 1
1 664 . 5 1 1 A 57 57 LEU H H 54 8.690 9.055 -0.365 1
1 665 . 5 1 1 A 57 57 LEU HA H 54 3.930 4.471 -0.541 1
1 675 . 5 1 1 A 57 57 LEU C C 54 179.500 178.308 1.192 1
1 676 . 5 1 1 A 57 57 LEU CA C 54 60.000 55.692 4.308 1
1 677 . 5 1 1 A 57 57 LEU CB C 54 40.800 42.428 -1.628 1
1 681 . 5 1 1 A 57 57 LEU N N 54 121.100 126.448 -5.348 1
1 682 . 5 1 1 A 58 58 SER H H 55 9.750 7.817 1.933 1
1 683 . 5 1 1 A 58 58 SER HA H 55 3.800 4.605 -0.805 1
1 686 . 5 1 1 A 58 58 SER C C 55 174.100 175.296 -1.196 1
1 687 . 5 1 1 A 58 58 SER CA C 55 61.600 61.207 0.393 1
1 688 . 5 1 1 A 58 58 SER CB C 55 61.900 63.047 -1.147 1
1 689 . 5 1 1 A 58 58 SER N N 55 113.400 115.177 -1.777 1
1 690 . 5 1 1 A 59 59 ARG H H 56 7.510 7.756 -0.246 1
1 691 . 5 1 1 A 59 59 ARG HA H 56 4.560 4.547 0.013 1
1 698 . 5 1 1 A 59 59 ARG C C 56 177.500 175.286 2.214 1
1 699 . 5 1 1 A 59 59 ARG CA C 56 55.400 55.140 0.260 1
1 700 . 5 1 1 A 59 59 ARG CB C 56 30.400 29.575 0.825 1
1 703 . 5 1 1 A 59 59 ARG N N 56 118.400 119.849 -1.449 1
1 704 . 5 1 1 A 60 60 GLY H H 57 8.550 7.946 0.604 1
1 705 . 5 1 1 A 60 60 GLY HA2 H 57 4.020 4.308 -0.288 1
1 706 . 5 1 1 A 60 60 GLY HA3 H 57 4.020 4.311 -0.291 1
1 707 . 5 1 1 A 60 60 GLY C C 57 171.200 172.142 -0.942 1
1 708 . 5 1 1 A 60 60 GLY CA C 57 45.400 44.298 1.102 1
1 709 . 5 1 1 A 60 60 GLY N N 57 108.600 109.278 -0.678 1
1 710 . 5 1 1 A 61 61 LEU H H 58 7.740 8.746 -1.006 1
1 711 . 5 1 1 A 61 61 LEU HA H 58 4.640 4.931 -0.291 1
1 721 . 5 1 1 A 61 61 LEU C C 58 177.000 176.092 0.908 1
1 722 . 5 1 1 A 61 61 LEU CA C 58 54.200 53.901 0.299 1
1 723 . 5 1 1 A 61 61 LEU CB C 58 43.700 43.636 0.064 1
1 727 . 5 1 1 A 61 61 LEU N N 58 119.100 121.736 -2.636 1
1 728 . 5 1 1 A 62 62 ILE H H 59 8.780 8.739 0.041 1
1 729 . 5 1 1 A 62 62 ILE HA H 59 4.660 4.868 -0.208 1
1 739 . 5 1 1 A 62 62 ILE C C 59 175.500 174.901 0.599 1
1 740 . 5 1 1 A 62 62 ILE CA C 59 60.600 60.490 0.110 1
1 741 . 5 1 1 A 62 62 ILE CB C 59 38.700 39.357 -0.657 1
1 745 . 5 1 1 A 62 62 ILE N N 59 126.500 122.971 3.529 1
1 746 . 5 1 1 A 63 63 ALA H H 60 9.110 9.211 -0.101 1
1 747 . 5 1 1 A 63 63 ALA HA H 60 4.590 5.076 -0.486 1
1 751 . 5 1 1 A 63 63 ALA C C 60 175.000 174.980 0.020 1
1 752 . 5 1 1 A 63 63 ALA CA C 60 51.300 50.927 0.373 1
1 753 . 5 1 1 A 63 63 ALA CB C 60 23.100 23.235 -0.135 1
1 754 . 5 1 1 A 63 63 ALA N N 60 129.300 128.326 0.974 1
1 755 . 5 1 1 A 64 64 GLU H H 61 8.460 8.744 -0.284 1
1 756 . 5 1 1 A 64 64 GLU HA H 61 5.070 4.546 0.524 1
1 761 . 5 1 1 A 64 64 GLU C C 61 176.000 176.135 -0.135 1
1 762 . 5 1 1 A 64 64 GLU CA C 61 55.100 55.302 -0.202 1
1 763 . 5 1 1 A 64 64 GLU CB C 61 31.200 29.642 1.558 1
1 765 . 5 1 1 A 64 64 GLU N N 61 121.500 121.718 -0.218 1
1 766 . 5 1 1 A 65 65 HIS H H 62 9.310 8.842 0.468 1
1 767 . 5 1 1 A 65 65 HIS HA H 62 4.740 4.433 0.307 1
1 772 . 5 1 1 A 65 65 HIS CA C 62 56.400 58.801 -2.401 1
1 773 . 5 1 1 A 65 65 HIS CB C 62 32.600 31.095 1.505 1
1 776 . 5 1 1 A 65 65 HIS N N 62 123.500 126.773 -3.273 1
1 777 . 5 1 1 A 66 66 GLN HA H 63 3.870 4.421 -0.551 1
1 784 . 5 1 1 A 66 66 GLN C C 63 176.000 175.376 0.624 1
1 785 . 5 1 1 A 66 66 GLN CA C 63 56.600 54.926 1.674 1
1 786 . 5 1 1 A 66 66 GLN CB C 63 26.800 29.547 -2.747 1
1 790 . 5 1 1 A 67 67 GLY H H 64 8.970 8.756 0.214 1
1 791 . 5 1 1 A 67 67 GLY HA2 H 64 3.680 3.941 -0.261 1
1 792 . 5 1 1 A 67 67 GLY HA3 H 64 4.140 3.942 0.198 1
1 793 . 5 1 1 A 67 67 GLY C C 64 173.800 173.582 0.218 1
1 794 . 5 1 1 A 67 67 GLY CA C 64 45.600 45.638 -0.038 1
1 795 . 5 1 1 A 67 67 GLY N N 64 104.200 114.761 -10.561 1
1 796 . 5 1 1 A 68 68 GLU H H 65 7.850 7.876 -0.026 1
1 797 . 5 1 1 A 68 68 GLU HA H 65 4.810 4.897 -0.087 1
1 802 . 5 1 1 A 68 68 GLU C C 65 174.400 175.096 -0.696 1
1 803 . 5 1 1 A 68 68 GLU CA C 65 54.100 54.277 -0.177 1
1 804 . 5 1 1 A 68 68 GLU CB C 65 34.000 33.243 0.757 1
1 806 . 5 1 1 A 68 68 GLU N N 65 118.800 119.663 -0.863 1
1 807 . 5 1 1 A 69 69 LEU H H 66 8.030 8.403 -0.373 1
1 808 . 5 1 1 A 69 69 LEU HA H 66 4.920 4.874 0.046 1
1 818 . 5 1 1 A 69 69 LEU C C 66 177.100 175.881 1.219 1
1 819 . 5 1 1 A 69 69 LEU CA C 66 54.300 53.766 0.534 1
1 820 . 5 1 1 A 69 69 LEU CB C 66 44.500 42.225 2.275 1
1 824 . 5 1 1 A 69 69 LEU N N 66 119.000 122.882 -3.882 1
1 825 . 5 1 1 A 70 70 TRP H H 67 8.980 9.445 -0.465 1
1 826 . 5 1 1 A 70 70 TRP HA H 67 5.140 5.422 -0.282 1
1 835 . 5 1 1 A 70 70 TRP C C 67 174.400 174.789 -0.389 1
1 836 . 5 1 1 A 70 70 TRP CA C 67 55.100 55.544 -0.444 1
1 837 . 5 1 1 A 70 70 TRP CB C 67 31.800 33.132 -1.332 1
1 843 . 5 1 1 A 70 70 TRP N N 67 122.200 124.911 -2.711 1
1 845 . 5 1 1 A 71 71 VAL H H 68 9.490 9.364 0.126 1
1 846 . 5 1 1 A 71 71 VAL HA H 68 4.990 5.142 -0.152 1
1 854 . 5 1 1 A 71 71 VAL C C 68 173.000 173.748 -0.748 1
1 855 . 5 1 1 A 71 71 VAL CA C 68 58.500 59.444 -0.944 1
1 856 . 5 1 1 A 71 71 VAL CB C 68 34.300 34.291 0.009 1
1 859 . 5 1 1 A 71 71 VAL N N 68 120.900 123.025 -2.125 1
1 860 . 5 1 1 A 72 72 ALA H H 69 8.550 8.987 -0.437 1
1 861 . 5 1 1 A 72 72 ALA HA H 69 5.280 5.667 -0.387 1
1 865 . 5 1 1 A 72 72 ALA C C 69 178.000 175.787 2.213 1
1 866 . 5 1 1 A 72 72 ALA CA C 69 49.200 50.588 -1.388 1
1 867 . 5 1 1 A 72 72 ALA CB C 69 19.700 21.567 -1.867 1
1 868 . 5 1 1 A 72 72 ALA N N 69 130.000 130.689 -0.689 1
1 869 . 5 1 1 A 73 73 SER H H 70 9.470 8.853 0.617 1
1 870 . 5 1 1 A 73 73 SER HA H 70 4.540 4.580 -0.040 1
1 873 . 5 1 1 A 73 73 SER CA C 70 55.700 56.874 -1.174 1
1 874 . 5 1 1 A 73 73 SER CB C 70 64.400 63.129 1.271 1
1 875 . 5 1 1 A 73 73 SER N N 70 118.100 121.717 -3.617 1
1 876 . 5 1 1 A 74 74 PRO HA H 71 4.540 4.442 0.098 1
1 883 . 5 1 1 A 74 74 PRO C C 71 176.700 178.230 -1.530 1
1 884 . 5 1 1 A 74 74 PRO CA C 71 64.000 64.227 -0.227 1
1 885 . 5 1 1 A 74 74 PRO CB C 71 32.300 31.859 0.441 1
1 888 . 5 1 1 A 75 75 LEU H H 72 7.850 7.860 -0.010 1
1 889 . 5 1 1 A 75 75 LEU HA H 72 4.330 4.027 0.303 1
1 899 . 5 1 1 A 75 75 LEU CA C 72 56.200 57.996 -1.796 1
1 900 . 5 1 1 A 75 75 LEU CB C 72 38.500 41.893 -3.393 1
1 904 . 5 1 1 A 75 75 LEU N N 72 119.300 117.997 1.303 1
1 905 . 5 1 1 A 76 76 LYS HA H 73 4.470 4.417 0.053 1
1 914 . 5 1 1 A 76 76 LYS C C 73 176.600 175.791 0.809 1
1 915 . 5 1 1 A 76 76 LYS CA C 73 54.600 55.221 -0.621 1
1 916 . 5 1 1 A 76 76 LYS CB C 73 31.700 32.789 -1.089 1
1 920 . 5 1 1 A 77 77 LYS H H 74 7.240 7.855 -0.615 1
1 921 . 5 1 1 A 77 77 LYS HA H 74 4.440 4.343 0.097 1
1 930 . 5 1 1 A 77 77 LYS C C 74 175.500 175.178 0.322 1
1 931 . 5 1 1 A 77 77 LYS CA C 74 57.800 57.155 0.645 1
1 932 . 5 1 1 A 77 77 LYS CB C 74 28.600 30.924 -2.324 1
1 936 . 5 1 1 A 77 77 LYS N N 74 110.900 118.596 -7.696 1
1 937 . 5 1 1 A 78 78 GLN H H 75 8.080 7.636 0.444 1
1 938 . 5 1 1 A 78 78 GLN HA H 75 4.030 4.340 -0.310 1
1 945 . 5 1 1 A 78 78 GLN C C 75 174.500 175.341 -0.841 1
1 946 . 5 1 1 A 78 78 GLN CA C 75 58.400 55.858 2.542 1
1 947 . 5 1 1 A 78 78 GLN CB C 75 27.400 29.454 -2.054 1
1 949 . 5 1 1 A 78 78 GLN N N 75 119.100 118.656 0.444 1
1 951 . 5 1 1 A 79 79 ARG H H 76 9.800 8.651 1.149 1
1 952 . 5 1 1 A 79 79 ARG HA H 76 5.310 5.040 0.270 1
1 960 . 5 1 1 A 79 79 ARG C C 76 175.800 175.397 0.403 1
1 961 . 5 1 1 A 79 79 ARG CA C 76 55.300 55.192 0.108 1
1 962 . 5 1 1 A 79 79 ARG CB C 76 33.100 31.543 1.557 1
1 965 . 5 1 1 A 79 79 ARG N N 76 122.800 124.168 -1.368 1
1 967 . 5 1 1 A 80 80 PHE H H 77 9.220 9.772 -0.552 1
1 968 . 5 1 1 A 80 80 PHE HA H 77 5.630 5.048 0.582 1
1 976 . 5 1 1 A 80 80 PHE C C 77 175.300 174.582 0.718 1
1 977 . 5 1 1 A 80 80 PHE CA C 77 55.800 56.625 -0.825 1
1 978 . 5 1 1 A 80 80 PHE CB C 77 41.300 41.262 0.038 1
1 984 . 5 1 1 A 80 80 PHE N N 77 119.400 122.803 -3.403 1
1 985 . 5 1 1 A 81 81 ARG H H 78 9.870 9.012 0.858 1
1 986 . 5 1 1 A 81 81 ARG HA H 78 3.490 3.871 -0.381 1
1 996 . 5 1 1 A 81 81 ARG C C 78 177.400 176.203 1.197 1
1 997 . 5 1 1 A 81 81 ARG CA C 78 58.100 55.947 2.153 1
1 998 . 5 1 1 A 81 81 ARG CB C 78 30.500 29.582 0.918 1
1 1001 . 5 1 1 A 81 81 ARG N N 78 130.100 125.124 4.976 1
1 1004 . 5 1 1 A 82 82 LEU H H 79 7.860 8.527 -0.667 1
1 1005 . 5 1 1 A 82 82 LEU HA H 79 3.790 3.904 -0.114 1
1 1015 . 5 1 1 A 82 82 LEU C C 79 177.500 178.332 -0.832 1
1 1016 . 5 1 1 A 82 82 LEU CA C 79 57.600 57.362 0.238 1
1 1017 . 5 1 1 A 82 82 LEU CB C 79 39.600 40.911 -1.311 1
1 1021 . 5 1 1 A 82 82 LEU N N 79 125.300 126.728 -1.428 1
1 1022 . 5 1 1 A 83 83 SER H H 80 8.000 7.765 0.235 1
1 1023 . 5 1 1 A 83 83 SER HA H 80 4.200 3.804 0.396 1
1 1026 . 5 1 1 A 83 83 SER C C 80 176.600 174.795 1.805 1
1 1027 . 5 1 1 A 83 83 SER CA C 80 60.100 61.628 -1.528 1
1 1028 . 5 1 1 A 83 83 SER CB C 80 62.500 62.667 -0.167 1
1 1029 . 5 1 1 A 83 83 SER N N 80 109.700 113.969 -4.269 1
1 1030 . 5 1 1 A 84 84 ASP H H 81 7.100 7.577 -0.477 1
1 1031 . 5 1 1 A 84 84 ASP HA H 81 4.090 3.899 0.191 1
1 1034 . 5 1 1 A 84 84 ASP C C 81 175.900 176.056 -0.156 1
1 1035 . 5 1 1 A 84 84 ASP CA C 81 53.500 52.771 0.729 1
1 1036 . 5 1 1 A 84 84 ASP CB C 81 41.900 41.501 0.399 1
1 1037 . 5 1 1 A 84 84 ASP N N 81 117.300 118.265 -0.965 1
1 1038 . 5 1 1 A 85 85 GLY H H 82 8.860 7.962 0.898 1
1 1039 . 5 1 1 A 85 85 GLY HA2 H 82 3.590 4.020 -0.430 1
1 1040 . 5 1 1 A 85 85 GLY HA3 H 82 4.810 4.030 0.780 1
1 1041 . 5 1 1 A 85 85 GLY C C 82 173.700 174.651 -0.951 1
1 1042 . 5 1 1 A 85 85 GLY CA C 82 45.900 46.799 -0.899 1
1 1043 . 5 1 1 A 85 85 GLY N N 82 111.300 108.708 2.592 1
1 1044 . 5 1 1 A 86 86 LEU H H 83 7.430 7.599 -0.169 1
1 1045 . 5 1 1 A 86 86 LEU HA H 83 4.290 4.694 -0.404 1
1 1055 . 5 1 1 A 86 86 LEU C C 83 176.600 175.820 0.780 1
1 1056 . 5 1 1 A 86 86 LEU CA C 83 56.200 53.863 2.337 1
1 1057 . 5 1 1 A 86 86 LEU CB C 83 43.100 42.967 0.133 1
1 1061 . 5 1 1 A 86 86 LEU N N 83 120.800 122.075 -1.275 1
1 1062 . 5 1 1 A 87 87 CYS H H 84 8.080 8.749 -0.669 1
1 1063 . 5 1 1 A 87 87 CYS HA H 84 5.290 4.383 0.907 1
1 1066 . 5 1 1 A 87 87 CYS C C 84 175.300 175.366 -0.066 1
1 1067 . 5 1 1 A 87 87 CYS CA C 84 56.600 59.503 -2.903 1
1 1068 . 5 1 1 A 87 87 CYS CB C 84 27.800 28.571 -0.771 1
1 1069 . 5 1 1 A 87 87 CYS N N 84 126.300 126.267 0.033 1
1 1070 . 5 1 1 A 88 88 MET H H 85 8.760 9.355 -0.595 1
1 1071 . 5 1 1 A 88 88 MET HA H 85 3.630 4.201 -0.571 1
1 1079 . 5 1 1 A 88 88 MET C C 85 177.500 177.625 -0.125 1
1 1080 . 5 1 1 A 88 88 MET CA C 85 58.800 58.017 0.783 1
1 1081 . 5 1 1 A 88 88 MET CB C 85 33.800 32.288 1.512 1
1 1084 . 5 1 1 A 88 88 MET N N 85 130.500 126.840 3.660 1
1 1085 . 5 1 1 A 89 89 GLU H H 86 9.160 7.124 2.036 1
1 1086 . 5 1 1 A 89 89 GLU HA H 86 3.770 4.084 -0.314 1
1 1091 . 5 1 1 A 89 89 GLU C C 86 177.500 178.099 -0.599 1
1 1092 . 5 1 1 A 89 89 GLU CA C 86 60.900 58.632 2.268 1
1 1093 . 5 1 1 A 89 89 GLU CB C 86 29.300 30.037 -0.737 1
1 1095 . 5 1 1 A 89 89 GLU N N 86 119.200 119.185 0.015 1
1 1096 . 5 1 1 A 90 90 ASP H H 87 7.080 7.705 -0.625 1
1 1097 . 5 1 1 A 90 90 ASP HA H 87 4.590 4.532 0.058 1
1 1100 . 5 1 1 A 90 90 ASP CA C 87 54.700 54.678 0.022 1
1 1101 . 5 1 1 A 90 90 ASP CB C 87 41.800 41.207 0.593 1
1 1102 . 5 1 1 A 90 90 ASP N N 87 115.800 119.514 -3.714 1
1 1103 . 5 1 1 A 91 91 GLU H H 88 9.340 7.816 1.524 1
1 1104 . 5 1 1 A 91 91 GLU HA H 88 4.290 4.098 0.192 1
1 1109 . 5 1 1 A 91 91 GLU C C 88 178.900 178.639 0.261 1
1 1110 . 5 1 1 A 91 91 GLU CA C 88 59.000 59.805 -0.805 1
1 1111 . 5 1 1 A 91 91 GLU CB C 88 29.100 29.331 -0.231 1
1 1113 . 5 1 1 A 91 91 GLU N N 88 127.400 121.201 6.199 1
1 1114 . 5 1 1 A 92 92 GLN H H 89 8.920 7.884 1.036 1
1 1115 . 5 1 1 A 92 92 GLN HA H 89 4.170 4.071 0.099 1
1 1122 . 5 1 1 A 92 92 GLN C C 89 176.600 177.502 -0.902 1
1 1123 . 5 1 1 A 92 92 GLN CA C 89 57.800 58.575 -0.775 1
1 1124 . 5 1 1 A 92 92 GLN CB C 89 28.400 28.479 -0.079 1
1 1127 . 5 1 1 A 92 92 GLN N N 89 120.400 118.237 2.163 1
1 1129 . 5 1 1 A 93 93 PHE H H 90 8.150 8.083 0.067 1
1 1130 . 5 1 1 A 93 93 PHE HA H 90 4.430 4.654 -0.224 1
1 1138 . 5 1 1 A 93 93 PHE C C 90 172.600 175.416 -2.816 1
1 1139 . 5 1 1 A 93 93 PHE CA C 90 57.800 59.275 -1.475 1
1 1140 . 5 1 1 A 93 93 PHE CB C 90 39.300 41.421 -2.121 1
1 1146 . 5 1 1 A 93 93 PHE N N 90 119.700 120.542 -0.842 1
1 1147 . 5 1 1 A 94 94 SER H H 91 7.020 8.343 -1.323 1
1 1148 . 5 1 1 A 94 94 SER HA H 91 4.870 4.549 0.321 1
1 1152 . 5 1 1 A 94 94 SER C C 91 174.100 173.837 0.263 1
1 1153 . 5 1 1 A 94 94 SER CA C 91 60.900 60.851 0.049 1
1 1154 . 5 1 1 A 94 94 SER CB C 91 63.600 61.970 1.630 1
1 1155 . 5 1 1 A 94 94 SER N N 91 112.700 113.921 -1.221 1
1 1156 . 5 1 1 A 95 95 VAL H H 92 9.120 7.928 1.192 1
1 1157 . 5 1 1 A 95 95 VAL HA H 92 4.810 5.042 -0.232 1
1 1165 . 5 1 1 A 95 95 VAL C C 92 175.700 175.468 0.232 1
1 1166 . 5 1 1 A 95 95 VAL CA C 92 59.200 59.807 -0.607 1
1 1167 . 5 1 1 A 95 95 VAL CB C 92 35.700 34.900 0.800 1
1 1170 . 5 1 1 A 95 95 VAL N N 92 116.900 117.492 -0.592 1
1 1171 . 5 1 1 A 96 96 LYS H H 93 8.390 8.432 -0.042 1
1 1172 . 5 1 1 A 96 96 LYS HA H 93 4.010 4.545 -0.535 1
1 1181 . 5 1 1 A 96 96 LYS C C 93 174.800 175.355 -0.555 1
1 1182 . 5 1 1 A 96 96 LYS CA C 93 57.700 55.851 1.849 1
1 1183 . 5 1 1 A 96 96 LYS CB C 93 34.000 33.350 0.650 1
1 1187 . 5 1 1 A 96 96 LYS N N 93 120.300 120.521 -0.221 1
1 1188 . 5 1 1 A 97 97 HIS H H 94 8.030 8.651 -0.621 1
1 1189 . 5 1 1 A 97 97 HIS HA H 94 5.060 5.282 -0.222 1
1 1194 . 5 1 1 A 97 97 HIS C C 94 172.600 172.997 -0.397 1
1 1195 . 5 1 1 A 97 97 HIS CA C 94 54.700 53.799 0.901 1
1 1196 . 5 1 1 A 97 97 HIS CB C 94 31.400 31.517 -0.117 1
1 1199 . 5 1 1 A 97 97 HIS N N 94 121.000 123.995 -2.995 1
1 1200 . 5 1 1 A 98 98 TYR H H 95 7.610 9.062 -1.452 1
1 1201 . 5 1 1 A 98 98 TYR HA H 95 4.410 4.676 -0.266 1
1 1208 . 5 1 1 A 98 98 TYR C C 95 173.600 175.600 -2.000 1
1 1209 . 5 1 1 A 98 98 TYR CA C 95 56.400 56.799 -0.399 1
1 1210 . 5 1 1 A 98 98 TYR CB C 95 40.900 40.353 0.547 1
1 1215 . 5 1 1 A 98 98 TYR N N 95 121.800 126.669 -4.869 1
1 1216 . 5 1 1 A 99 99 GLU H H 96 8.480 8.555 -0.075 1
1 1217 . 5 1 1 A 99 99 GLU HA H 96 4.420 4.619 -0.199 1
1 1222 . 5 1 1 A 99 99 GLU C C 96 174.300 175.609 -1.309 1
1 1223 . 5 1 1 A 99 99 GLU CA C 96 56.600 56.181 0.419 1
1 1224 . 5 1 1 A 99 99 GLU CB C 96 30.700 30.306 0.394 1
1 1226 . 5 1 1 A 99 99 GLU N N 96 122.200 122.163 0.037 1
1 1227 . 5 1 1 A 100 100 ALA H H 97 8.420 8.996 -0.576 1
1 1228 . 5 1 1 A 100 100 ALA HA H 97 5.940 6.196 -0.256 1
1 1232 . 5 1 1 A 100 100 ALA C C 97 176.100 176.194 -0.094 1
1 1233 . 5 1 1 A 100 100 ALA CA C 97 50.400 50.178 0.222 1
1 1234 . 5 1 1 A 100 100 ALA CB C 97 23.700 22.982 0.718 1
1 1235 . 5 1 1 A 100 100 ALA N N 97 124.100 128.885 -4.785 1
1 1236 . 5 1 1 A 101 101 ARG H H 98 9.000 8.904 0.096 1
1 1237 . 5 1 1 A 101 101 ARG HA H 98 4.640 4.999 -0.359 1
1 1245 . 5 1 1 A 101 101 ARG C C 98 172.100 173.870 -1.770 1
1 1246 . 5 1 1 A 101 101 ARG CA C 98 54.200 54.193 0.007 1
1 1247 . 5 1 1 A 101 101 ARG CB C 98 32.800 34.058 -1.258 1
1 1250 . 5 1 1 A 101 101 ARG N N 98 118.400 117.623 0.777 1
1 1252 . 5 1 1 A 102 102 VAL H H 99 8.330 8.561 -0.231 1
1 1253 . 5 1 1 A 102 102 VAL HA H 99 4.720 4.559 0.161 1
1 1261 . 5 1 1 A 102 102 VAL C C 99 175.200 174.345 0.855 1
1 1262 . 5 1 1 A 102 102 VAL CA C 99 61.100 61.372 -0.272 1
1 1263 . 5 1 1 A 102 102 VAL CB C 99 32.700 31.882 0.818 1
1 1266 . 5 1 1 A 102 102 VAL N N 99 119.500 121.741 -2.241 1
1 1267 . 5 1 1 A 103 103 LYS H H 100 9.070 9.113 -0.043 1
1 1268 . 5 1 1 A 103 103 LYS HA H 100 4.460 4.390 0.070 1
1 1277 . 5 1 1 A 103 103 LYS C C 100 175.700 176.188 -0.488 1
1 1278 . 5 1 1 A 103 103 LYS CA C 100 54.300 55.511 -1.211 1
1 1279 . 5 1 1 A 103 103 LYS CB C 100 34.800 32.704 2.096 1
1 1283 . 5 1 1 A 103 103 LYS N N 100 130.200 128.131 2.069 1
1 1284 . 5 1 1 A 104 104 ASP H H 101 9.560 9.092 0.468 1
1 1285 . 5 1 1 A 104 104 ASP HA H 101 4.210 4.225 -0.015 1
1 1288 . 5 1 1 A 104 104 ASP C C 101 175.800 175.298 0.502 1
1 1289 . 5 1 1 A 104 104 ASP CA C 101 55.500 55.010 0.490 1
1 1290 . 5 1 1 A 104 104 ASP CB C 101 39.700 39.744 -0.044 1
1 1291 . 5 1 1 A 104 104 ASP N N 101 130.600 126.909 3.691 1
1 1292 . 5 1 1 A 105 105 GLY H H 102 8.260 8.314 -0.054 1
1 1293 . 5 1 1 A 105 105 GLY HA2 H 102 3.450 3.975 -0.525 1
1 1294 . 5 1 1 A 105 105 GLY HA3 H 102 4.170 3.976 0.194 1
1 1295 . 5 1 1 A 105 105 GLY C C 102 173.300 173.762 -0.462 1
1 1296 . 5 1 1 A 105 105 GLY CA C 102 45.300 44.906 0.394 1
1 1297 . 5 1 1 A 105 105 GLY N N 102 101.900 104.977 -3.077 1
1 1298 . 5 1 1 A 106 106 VAL H H 103 7.900 8.104 -0.204 1
1 1299 . 5 1 1 A 106 106 VAL HA H 103 4.270 4.261 0.009 1
1 1307 . 5 1 1 A 106 106 VAL C C 103 175.100 174.978 0.122 1
1 1308 . 5 1 1 A 106 106 VAL CA C 103 62.100 61.365 0.735 1
1 1309 . 5 1 1 A 106 106 VAL CB C 103 34.100 33.468 0.632 1
1 1312 . 5 1 1 A 106 106 VAL N N 103 123.800 122.464 1.336 1
1 1313 . 5 1 1 A 107 107 VAL H H 104 9.290 9.251 0.039 1
1 1314 . 5 1 1 A 107 107 VAL HA H 104 4.220 4.470 -0.250 1
1 1322 . 5 1 1 A 107 107 VAL C C 104 174.300 175.640 -1.340 1
1 1323 . 5 1 1 A 107 107 VAL CA C 104 62.700 62.876 -0.176 1
1 1324 . 5 1 1 A 107 107 VAL CB C 104 31.500 31.306 0.194 1
1 1327 . 5 1 1 A 107 107 VAL N N 104 127.300 128.320 -1.020 1
1 1328 . 5 1 1 A 108 108 GLN H H 105 9.410 8.876 0.534 1
1 1329 . 5 1 1 A 108 108 GLN HA H 105 5.720 5.350 0.370 1
1 1336 . 5 1 1 A 108 108 GLN C C 105 174.900 174.890 0.010 1
1 1337 . 5 1 1 A 108 108 GLN CA C 105 53.400 54.664 -1.264 1
1 1338 . 5 1 1 A 108 108 GLN CB C 105 34.600 32.345 2.255 1
1 1341 . 5 1 1 A 108 108 GLN N N 105 126.500 127.459 -0.959 1
1 1343 . 5 1 1 A 109 109 LEU H H 106 8.530 8.790 -0.260 1
1 1344 . 5 1 1 A 109 109 LEU HA H 106 5.760 5.272 0.488 1
1 1354 . 5 1 1 A 109 109 LEU C C 106 176.300 175.127 1.173 1
1 1355 . 5 1 1 A 109 109 LEU CA C 106 52.800 53.596 -0.796 1
1 1356 . 5 1 1 A 109 109 LEU CB C 106 48.900 44.705 4.195 1
1 1360 . 5 1 1 A 109 109 LEU N N 106 118.900 122.241 -3.341 1
1 1361 . 5 1 1 A 110 110 ARG H H 107 8.310 9.235 -0.925 1
1 1362 . 5 1 1 A 110 110 ARG HA H 107 4.230 4.894 -0.664 1
1 1370 . 5 1 1 A 110 110 ARG C C 107 174.800 174.967 -0.167 1
1 1371 . 5 1 1 A 110 110 ARG CA C 107 55.700 53.739 1.961 1
1 1372 . 5 1 1 A 110 110 ARG CB C 107 31.900 31.344 0.556 1
1 1375 . 5 1 1 A 110 110 ARG N N 107 119.900 125.334 -5.434 1
1 1377 . 5 1 1 A 111 111 GLY H H 108 8.390 8.839 -0.449 1
1 1378 . 5 1 1 A 111 111 GLY HA2 H 108 3.880 4.231 -0.351 1
1 1379 . 5 1 1 A 111 111 GLY HA3 H 108 4.130 4.396 -0.266 1
1 1380 . 5 1 1 A 111 111 GLY C C 108 173.500 173.294 0.206 1
1 1381 . 5 1 1 A 111 111 GLY CA C 108 45.000 45.549 -0.549 1
1 1382 . 5 1 1 A 111 111 GLY N N 108 110.000 113.727 -3.727 1
1 1383 . 5 1 1 A 112 112 GLY H H 109 8.280 8.772 -0.492 1
1 1384 . 5 1 1 A 112 112 GLY HA2 H 109 3.850 3.908 -0.058 1
1 1385 . 5 1 1 A 112 112 GLY HA3 H 109 3.950 3.913 0.037 1
1 1386 . 5 1 1 A 112 112 GLY C C 109 173.200 173.440 -0.240 1
1 1387 . 5 1 1 A 112 112 GLY CA C 109 45.100 46.660 -1.560 1
1 1388 . 5 1 1 A 112 112 GLY N N 109 108.400 112.543 -4.143 1
1 10 . 6 1 1 A 5 5 SER H H 2 8.360 8.852 -0.492 1
1 11 . 6 1 1 A 5 5 SER HA H 2 4.400 4.472 -0.072 1
1 14 . 6 1 1 A 5 5 SER C C 2 174.100 174.296 -0.196 1
1 15 . 6 1 1 A 5 5 SER CA C 2 58.200 59.478 -1.278 1
1 16 . 6 1 1 A 5 5 SER CB C 2 63.700 64.346 -0.646 1
1 17 . 6 1 1 A 5 5 SER N N 2 117.000 117.597 -0.597 1
1 18 . 6 1 1 A 6 6 GLN H H 3 8.280 8.107 0.173 1
1 19 . 6 1 1 A 6 6 GLN HA H 3 4.320 4.021 0.299 1
1 26 . 6 1 1 A 6 6 GLN C C 3 175.500 174.820 0.680 1
1 27 . 6 1 1 A 6 6 GLN CA C 3 55.400 56.615 -1.215 1
1 28 . 6 1 1 A 6 6 GLN CB C 3 30.100 27.122 2.978 1
1 31 . 6 1 1 A 6 6 GLN N N 3 121.800 119.116 2.684 1
1 33 . 6 1 1 A 7 7 TRP H H 4 8.170 7.934 0.236 1
1 34 . 6 1 1 A 7 7 TRP HA H 4 4.470 4.815 -0.345 1
1 43 . 6 1 1 A 7 7 TRP C C 4 176.200 175.649 0.551 1
1 44 . 6 1 1 A 7 7 TRP CA C 4 57.600 56.896 0.704 1
1 45 . 6 1 1 A 7 7 TRP CB C 4 30.300 27.904 2.396 1
1 51 . 6 1 1 A 7 7 TRP N N 4 122.300 121.071 1.229 1
1 53 . 6 1 1 A 8 8 LYS H H 5 9.370 9.060 0.310 1
1 54 . 6 1 1 A 8 8 LYS HA H 5 4.690 4.554 0.136 1
1 63 . 6 1 1 A 8 8 LYS C C 5 175.600 175.566 0.034 1
1 64 . 6 1 1 A 8 8 LYS CA C 5 54.200 56.690 -2.490 1
1 65 . 6 1 1 A 8 8 LYS CB C 5 34.700 32.676 2.024 1
1 69 . 6 1 1 A 8 8 LYS N N 5 125.100 126.648 -1.548 1
1 70 . 6 1 1 A 9 9 ASP H H 6 8.730 8.798 -0.068 1
1 71 . 6 1 1 A 9 9 ASP HA H 6 4.500 4.931 -0.431 1
1 74 . 6 1 1 A 9 9 ASP C C 6 176.200 175.881 0.319 1
1 75 . 6 1 1 A 9 9 ASP CA C 6 55.400 54.363 1.037 1
1 76 . 6 1 1 A 9 9 ASP CB C 6 40.700 40.692 0.008 1
1 77 . 6 1 1 A 9 9 ASP N N 6 125.400 126.673 -1.273 1
1 78 . 6 1 1 A 10 10 ILE H H 7 9.300 9.399 -0.099 1
1 79 . 6 1 1 A 10 10 ILE HA H 7 4.300 4.065 0.235 1
1 89 . 6 1 1 A 10 10 ILE C C 7 175.500 176.070 -0.570 1
1 90 . 6 1 1 A 10 10 ILE CA C 7 60.000 63.051 -3.051 1
1 91 . 6 1 1 A 10 10 ILE CB C 7 37.700 38.051 -0.351 1
1 95 . 6 1 1 A 10 10 ILE N N 7 122.900 124.145 -1.245 1
1 96 . 6 1 1 A 11 11 CYS H H 8 7.510 7.791 -0.281 1
1 97 . 6 1 1 A 11 11 CYS HA H 8 4.880 4.852 0.028 1
1 100 . 6 1 1 A 11 11 CYS C C 8 172.300 173.504 -1.204 1
1 101 . 6 1 1 A 11 11 CYS CA C 8 55.700 57.888 -2.188 1
1 102 . 6 1 1 A 11 11 CYS CB C 8 28.800 32.695 -3.895 1
1 103 . 6 1 1 A 11 11 CYS N N 8 111.400 117.648 -6.248 1
1 104 . 6 1 1 A 12 12 LYS H H 9 8.920 8.590 0.330 1
1 105 . 6 1 1 A 12 12 LYS HA H 9 4.880 4.562 0.318 1
1 114 . 6 1 1 A 12 12 LYS C C 9 179.400 177.887 1.513 1
1 115 . 6 1 1 A 12 12 LYS CA C 9 55.700 56.348 -0.648 1
1 116 . 6 1 1 A 12 12 LYS CB C 9 32.100 32.756 -0.656 1
1 120 . 6 1 1 A 12 12 LYS N N 9 120.100 121.781 -1.681 1
1 121 . 6 1 1 A 13 13 ILE H H 10 8.640 9.280 -0.640 1
1 122 . 6 1 1 A 13 13 ILE HA H 10 3.990 4.092 -0.102 1
1 132 . 6 1 1 A 13 13 ILE C C 10 174.900 176.806 -1.906 1
1 133 . 6 1 1 A 13 13 ILE CA C 10 61.000 63.208 -2.208 1
1 134 . 6 1 1 A 13 13 ILE CB C 10 37.800 38.048 -0.248 1
1 138 . 6 1 1 A 13 13 ILE N N 10 123.700 125.671 -1.971 1
1 139 . 6 1 1 A 14 14 ASP H H 11 7.600 8.031 -0.431 1
1 140 . 6 1 1 A 14 14 ASP HA H 11 4.350 4.408 -0.058 1
1 143 . 6 1 1 A 14 14 ASP C C 11 176.500 177.721 -1.221 1
1 144 . 6 1 1 A 14 14 ASP CA C 11 55.400 56.552 -1.152 1
1 145 . 6 1 1 A 14 14 ASP CB C 11 40.400 40.728 -0.328 1
1 146 . 6 1 1 A 14 14 ASP N N 11 115.800 121.627 -5.827 1
1 147 . 6 1 1 A 15 15 ASP H H 12 7.600 8.080 -0.480 1
1 148 . 6 1 1 A 15 15 ASP HA H 12 4.490 4.466 0.024 1
1 151 . 6 1 1 A 15 15 ASP C C 12 175.600 176.055 -0.455 1
1 152 . 6 1 1 A 15 15 ASP CA C 12 55.500 56.372 -0.872 1
1 153 . 6 1 1 A 15 15 ASP CB C 12 40.900 41.399 -0.499 1
1 154 . 6 1 1 A 15 15 ASP N N 12 116.800 118.384 -1.584 1
1 155 . 6 1 1 A 16 16 ILE H H 13 7.700 7.623 0.077 1
1 156 . 6 1 1 A 16 16 ILE HA H 13 4.000 4.148 -0.148 1
1 166 . 6 1 1 A 16 16 ILE C C 13 174.100 175.237 -1.137 1
1 167 . 6 1 1 A 16 16 ILE CA C 13 60.500 60.906 -0.406 1
1 168 . 6 1 1 A 16 16 ILE CB C 13 38.200 37.322 0.878 1
1 172 . 6 1 1 A 16 16 ILE N N 13 120.900 120.123 0.777 1
1 173 . 6 1 1 A 17 17 LEU H H 14 7.970 8.658 -0.688 1
1 174 . 6 1 1 A 17 17 LEU HA H 14 4.370 4.563 -0.193 1
1 184 . 6 1 1 A 17 17 LEU CA C 14 53.800 53.724 0.076 1
1 185 . 6 1 1 A 17 17 LEU CB C 14 40.500 40.829 -0.329 1
1 189 . 6 1 1 A 17 17 LEU N N 14 127.800 129.474 -1.674 1
1 190 . 6 1 1 A 18 18 PRO HA H 15 4.080 4.191 -0.111 1
1 197 . 6 1 1 A 18 18 PRO C C 15 175.700 176.627 -0.927 1
1 198 . 6 1 1 A 18 18 PRO CA C 15 64.300 63.552 0.748 1
1 199 . 6 1 1 A 18 18 PRO CB C 15 31.600 31.620 -0.020 1
1 202 . 6 1 1 A 19 19 GLU H H 16 8.930 8.797 0.133 1
1 203 . 6 1 1 A 19 19 GLU HA H 16 3.660 3.834 -0.174 1
1 208 . 6 1 1 A 19 19 GLU C C 16 175.500 174.825 0.675 1
1 209 . 6 1 1 A 19 19 GLU CA C 16 58.300 57.589 0.711 1
1 210 . 6 1 1 A 19 19 GLU CB C 16 27.300 28.318 -1.018 1
1 212 . 6 1 1 A 19 19 GLU N N 16 113.700 116.198 -2.498 1
1 213 . 6 1 1 A 20 20 THR H H 17 7.790 7.207 0.583 1
1 214 . 6 1 1 A 20 20 THR HA H 17 5.080 4.918 0.162 1
1 220 . 6 1 1 A 20 20 THR C C 17 172.100 173.225 -1.125 1
1 221 . 6 1 1 A 20 20 THR CA C 17 60.700 60.369 0.331 1
1 222 . 6 1 1 A 20 20 THR CB C 17 73.100 71.500 1.600 1
1 224 . 6 1 1 A 20 20 THR N N 17 110.000 113.347 -3.347 1
1 225 . 6 1 1 A 21 21 GLY H H 18 8.080 8.894 -0.814 1
1 226 . 6 1 1 A 21 21 GLY HA2 H 18 3.070 4.124 -1.054 1
1 227 . 6 1 1 A 21 21 GLY HA3 H 18 5.270 4.155 1.115 1
1 228 . 6 1 1 A 21 21 GLY C C 18 173.400 172.161 1.239 1
1 229 . 6 1 1 A 21 21 GLY CA C 18 44.600 44.371 0.229 1
1 230 . 6 1 1 A 21 21 GLY N N 18 103.700 113.546 -9.846 1
1 231 . 6 1 1 A 22 22 VAL H H 19 8.520 8.941 -0.421 1
1 232 . 6 1 1 A 22 22 VAL HA H 19 4.570 4.913 -0.343 1
1 240 . 6 1 1 A 22 22 VAL C C 19 172.900 174.162 -1.262 1
1 241 . 6 1 1 A 22 22 VAL CA C 19 58.900 58.629 0.271 1
1 242 . 6 1 1 A 22 22 VAL CB C 19 35.900 35.242 0.658 1
1 245 . 6 1 1 A 22 22 VAL N N 19 112.900 118.266 -5.366 1
1 246 . 6 1 1 A 23 23 CYS H H 20 8.290 8.615 -0.325 1
1 247 . 6 1 1 A 23 23 CYS HA H 20 5.250 5.229 0.021 1
1 250 . 6 1 1 A 23 23 CYS C C 20 173.500 173.759 -0.259 1
1 251 . 6 1 1 A 23 23 CYS CA C 20 56.300 57.083 -0.783 1
1 252 . 6 1 1 A 23 23 CYS CB C 20 27.600 28.598 -0.998 1
1 253 . 6 1 1 A 23 23 CYS N N 20 120.700 120.455 0.245 1
1 254 . 6 1 1 A 24 24 ALA H H 21 9.590 9.385 0.205 1
1 255 . 6 1 1 A 24 24 ALA HA H 21 4.580 4.985 -0.405 1
1 259 . 6 1 1 A 24 24 ALA C C 21 174.400 176.433 -2.033 1
1 260 . 6 1 1 A 24 24 ALA CA C 21 50.200 50.486 -0.286 1
1 261 . 6 1 1 A 24 24 ALA CB C 21 23.400 21.434 1.966 1
1 262 . 6 1 1 A 24 24 ALA N N 21 132.500 129.097 3.403 1
1 263 . 6 1 1 A 25 25 LEU H H 22 8.100 8.843 -0.743 1
1 264 . 6 1 1 A 25 25 LEU HA H 22 4.860 4.729 0.131 1
1 274 . 6 1 1 A 25 25 LEU C C 22 175.800 174.715 1.085 1
1 275 . 6 1 1 A 25 25 LEU CA C 22 53.800 53.914 -0.114 1
1 276 . 6 1 1 A 25 25 LEU CB C 22 43.600 41.938 1.662 1
1 280 . 6 1 1 A 25 25 LEU N N 22 120.700 121.955 -1.255 1
1 281 . 6 1 1 A 26 26 LEU H H 23 8.660 8.710 -0.050 1
1 282 . 6 1 1 A 26 26 LEU HA H 23 4.410 4.590 -0.180 1
1 292 . 6 1 1 A 26 26 LEU C C 23 176.600 176.730 -0.130 1
1 293 . 6 1 1 A 26 26 LEU CA C 23 53.100 53.674 -0.574 1
1 294 . 6 1 1 A 26 26 LEU CB C 23 43.400 42.539 0.861 1
1 298 . 6 1 1 A 26 26 LEU N N 23 125.800 126.548 -0.748 1
1 299 . 6 1 1 A 27 27 GLY H H 24 8.910 8.857 0.053 1
1 300 . 6 1 1 A 27 27 GLY HA2 H 24 3.560 3.831 -0.271 1
1 301 . 6 1 1 A 27 27 GLY HA3 H 24 4.000 3.831 0.169 1
1 302 . 6 1 1 A 27 27 GLY C C 24 173.800 174.330 -0.530 1
1 303 . 6 1 1 A 27 27 GLY CA C 24 47.300 47.395 -0.095 1
1 304 . 6 1 1 A 27 27 GLY N N 24 118.300 115.332 2.968 1
1 305 . 6 1 1 A 28 28 ASP H H 25 8.800 8.694 0.106 1
1 306 . 6 1 1 A 28 28 ASP HA H 25 4.690 4.694 -0.004 1
1 309 . 6 1 1 A 28 28 ASP C C 25 176.100 175.558 0.542 1
1 310 . 6 1 1 A 28 28 ASP CA C 25 53.900 53.969 -0.069 1
1 311 . 6 1 1 A 28 28 ASP CB C 25 41.300 41.324 -0.024 1
1 312 . 6 1 1 A 28 28 ASP N N 25 126.600 126.550 0.050 1
1 313 . 6 1 1 A 29 29 GLU H H 26 8.100 7.403 0.697 1
1 314 . 6 1 1 A 29 29 GLU HA H 26 4.440 4.429 0.011 1
1 319 . 6 1 1 A 29 29 GLU C C 26 174.800 175.316 -0.516 1
1 320 . 6 1 1 A 29 29 GLU CA C 26 55.800 56.087 -0.287 1
1 321 . 6 1 1 A 29 29 GLU CB C 26 30.600 30.410 0.190 1
1 323 . 6 1 1 A 29 29 GLU N N 26 120.400 119.975 0.425 1
1 324 . 6 1 1 A 30 30 GLN H H 27 8.640 8.605 0.035 1
1 325 . 6 1 1 A 30 30 GLN HA H 27 4.510 4.861 -0.351 1
1 332 . 6 1 1 A 30 30 GLN C C 27 175.800 174.734 1.066 1
1 333 . 6 1 1 A 30 30 GLN CA C 27 55.700 55.692 0.008 1
1 334 . 6 1 1 A 30 30 GLN CB C 27 29.300 29.401 -0.101 1
1 336 . 6 1 1 A 30 30 GLN N N 27 121.300 124.427 -3.127 1
1 338 . 6 1 1 A 31 31 VAL H H 28 9.280 8.860 0.420 1
1 339 . 6 1 1 A 31 31 VAL HA H 28 4.040 4.285 -0.245 1
1 347 . 6 1 1 A 31 31 VAL C C 28 172.900 174.544 -1.644 1
1 348 . 6 1 1 A 31 31 VAL CA C 28 61.900 61.065 0.835 1
1 349 . 6 1 1 A 31 31 VAL CB C 28 34.800 33.177 1.623 1
1 352 . 6 1 1 A 31 31 VAL N N 28 128.600 125.733 2.867 1
1 353 . 6 1 1 A 32 32 ALA H H 29 9.440 9.115 0.325 1
1 354 . 6 1 1 A 32 32 ALA HA H 29 4.680 4.725 -0.045 1
1 358 . 6 1 1 A 32 32 ALA C C 29 175.200 175.852 -0.652 1
1 359 . 6 1 1 A 32 32 ALA CA C 29 50.500 50.823 -0.323 1
1 360 . 6 1 1 A 32 32 ALA CB C 29 20.200 19.520 0.680 1
1 361 . 6 1 1 A 32 32 ALA N N 29 130.400 129.205 1.195 1
1 362 . 6 1 1 A 33 33 ILE H H 30 8.590 8.839 -0.249 1
1 363 . 6 1 1 A 33 33 ILE HA H 30 4.680 4.665 0.015 1
1 373 . 6 1 1 A 33 33 ILE C C 30 174.800 174.904 -0.104 1
1 374 . 6 1 1 A 33 33 ILE CA C 30 59.900 59.967 -0.067 1
1 375 . 6 1 1 A 33 33 ILE CB C 30 39.300 38.028 1.272 1
1 379 . 6 1 1 A 33 33 ILE N N 30 120.600 123.738 -3.138 1
1 380 . 6 1 1 A 34 34 PHE H H 31 9.430 9.466 -0.036 1
1 381 . 6 1 1 A 34 34 PHE HA H 31 5.070 5.127 -0.057 1
1 386 . 6 1 1 A 34 34 PHE C C 31 174.800 174.519 0.281 1
1 387 . 6 1 1 A 34 34 PHE CA C 31 57.200 56.738 0.462 1
1 388 . 6 1 1 A 34 34 PHE CB C 31 43.400 40.843 2.557 1
1 391 . 6 1 1 A 34 34 PHE N N 31 121.800 126.522 -4.722 1
1 392 . 6 1 1 A 35 35 ARG H H 32 8.450 8.799 -0.349 1
1 393 . 6 1 1 A 35 35 ARG HA H 32 5.470 4.891 0.579 1
1 403 . 6 1 1 A 35 35 ARG CA C 32 52.000 52.536 -0.536 1
1 404 . 6 1 1 A 35 35 ARG CB C 32 33.200 31.411 1.789 1
1 407 . 6 1 1 A 35 35 ARG N N 32 123.000 125.514 -2.514 1
1 410 . 6 1 1 A 36 36 PRO HA H 33 3.910 4.591 -0.681 1
1 417 . 6 1 1 A 36 36 PRO C C 33 174.300 175.845 -1.545 1
1 418 . 6 1 1 A 36 36 PRO CA C 33 64.600 63.775 0.825 1
1 419 . 6 1 1 A 36 36 PRO CB C 33 32.800 31.806 0.994 1
1 422 . 6 1 1 A 37 37 TYR H H 34 9.000 7.565 1.435 1
1 423 . 6 1 1 A 37 37 TYR HA H 34 5.250 4.845 0.405 1
1 430 . 6 1 1 A 37 37 TYR C C 34 175.000 176.136 -1.136 1
1 431 . 6 1 1 A 37 37 TYR CA C 34 54.200 57.268 -3.068 1
1 432 . 6 1 1 A 37 37 TYR CB C 34 41.000 40.535 0.465 1
1 437 . 6 1 1 A 37 37 TYR N N 34 115.500 118.927 -3.427 1
1 438 . 6 1 1 A 38 38 HIS H H 35 8.700 9.095 -0.395 1
1 439 . 6 1 1 A 38 38 HIS HA H 35 4.490 4.691 -0.201 1
1 444 . 6 1 1 A 38 38 HIS C C 35 175.800 175.352 0.448 1
1 445 . 6 1 1 A 38 38 HIS CA C 35 56.400 58.163 -1.763 1
1 446 . 6 1 1 A 38 38 HIS CB C 35 28.600 29.886 -1.286 1
1 449 . 6 1 1 A 38 38 HIS N N 35 119.000 121.312 -2.312 1
1 450 . 6 1 1 A 39 39 SER H H 36 7.890 7.842 0.048 1
1 451 . 6 1 1 A 39 39 SER HA H 36 4.770 4.531 0.239 1
1 454 . 6 1 1 A 39 39 SER C C 36 173.800 174.762 -0.962 1
1 455 . 6 1 1 A 39 39 SER CA C 36 57.000 58.070 -1.070 1
1 456 . 6 1 1 A 39 39 SER CB C 36 64.700 64.730 -0.030 1
1 457 . 6 1 1 A 39 39 SER N N 36 115.500 114.417 1.083 1
1 458 . 6 1 1 A 40 40 ASP H H 37 8.540 8.544 -0.004 1
1 459 . 6 1 1 A 40 40 ASP HA H 37 4.540 4.768 -0.228 1
1 462 . 6 1 1 A 40 40 ASP C C 37 174.700 175.612 -0.912 1
1 463 . 6 1 1 A 40 40 ASP CA C 37 53.800 53.345 0.455 1
1 464 . 6 1 1 A 40 40 ASP CB C 37 39.600 40.072 -0.472 1
1 465 . 6 1 1 A 40 40 ASP N N 37 119.400 120.829 -1.429 1
1 466 . 6 1 1 A 41 41 GLN H H 38 7.490 7.691 -0.201 1
1 467 . 6 1 1 A 41 41 GLN HA H 38 4.140 4.726 -0.586 1
1 474 . 6 1 1 A 41 41 GLN C C 38 175.500 175.166 0.334 1
1 475 . 6 1 1 A 41 41 GLN CA C 38 57.100 54.853 2.247 1
1 476 . 6 1 1 A 41 41 GLN CB C 38 29.400 29.702 -0.302 1
1 479 . 6 1 1 A 41 41 GLN N N 38 118.700 119.265 -0.565 1
1 481 . 6 1 1 A 42 42 VAL H H 39 7.800 8.733 -0.933 1
1 482 . 6 1 1 A 42 42 VAL HA H 39 5.600 5.171 0.429 1
1 490 . 6 1 1 A 42 42 VAL C C 39 174.200 174.142 0.058 1
1 491 . 6 1 1 A 42 42 VAL CA C 39 58.200 59.247 -1.047 1
1 492 . 6 1 1 A 42 42 VAL CB C 39 36.500 35.687 0.813 1
1 495 . 6 1 1 A 42 42 VAL N N 39 116.100 117.792 -1.692 1
1 496 . 6 1 1 A 43 43 PHE H H 40 8.480 9.217 -0.737 1
1 497 . 6 1 1 A 43 43 PHE HA H 40 4.870 5.334 -0.464 1
1 504 . 6 1 1 A 43 43 PHE C C 40 173.900 174.558 -0.658 1
1 505 . 6 1 1 A 43 43 PHE CA C 40 56.800 56.320 0.480 1
1 506 . 6 1 1 A 43 43 PHE CB C 40 45.300 43.837 1.463 1
1 511 . 6 1 1 A 43 43 PHE N N 40 117.200 121.121 -3.921 1
1 512 . 6 1 1 A 44 44 ALA H H 41 9.520 8.844 0.676 1
1 513 . 6 1 1 A 44 44 ALA HA H 41 6.200 5.690 0.510 1
1 517 . 6 1 1 A 44 44 ALA C C 41 176.300 175.908 0.392 1
1 518 . 6 1 1 A 44 44 ALA CA C 41 50.900 50.893 0.007 1
1 519 . 6 1 1 A 44 44 ALA CB C 41 24.100 22.160 1.940 1
1 520 . 6 1 1 A 44 44 ALA N N 41 125.100 122.726 2.374 1
1 521 . 6 1 1 A 45 45 ILE H H 42 8.970 8.835 0.135 1
1 522 . 6 1 1 A 45 45 ILE HA H 42 5.580 5.112 0.468 1
1 532 . 6 1 1 A 45 45 ILE C C 42 174.600 175.091 -0.491 1
1 533 . 6 1 1 A 45 45 ILE CA C 42 59.300 58.771 0.529 1
1 534 . 6 1 1 A 45 45 ILE CB C 42 44.300 42.017 2.283 1
1 538 . 6 1 1 A 45 45 ILE N N 42 117.100 117.853 -0.753 1
1 539 . 6 1 1 A 46 46 SER H H 43 8.460 8.356 0.104 1
1 540 . 6 1 1 A 46 46 SER HA H 43 4.350 4.607 -0.257 1
1 543 . 6 1 1 A 46 46 SER C C 43 172.100 174.451 -2.351 1
1 544 . 6 1 1 A 46 46 SER CA C 43 59.500 60.240 -0.740 1
1 545 . 6 1 1 A 46 46 SER CB C 43 64.900 63.234 1.666 1
1 546 . 6 1 1 A 46 46 SER N N 43 112.400 118.839 -6.439 1
1 547 . 6 1 1 A 47 47 ASN H H 44 7.990 8.954 -0.964 1
1 548 . 6 1 1 A 47 47 ASN HA H 44 4.940 4.570 0.370 1
1 553 . 6 1 1 A 47 47 ASN C C 44 175.800 175.065 0.735 1
1 554 . 6 1 1 A 47 47 ASN CA C 44 53.800 55.217 -1.417 1
1 555 . 6 1 1 A 47 47 ASN CB C 44 40.600 38.873 1.727 1
1 556 . 6 1 1 A 47 47 ASN N N 44 117.800 123.418 -5.618 1
1 558 . 6 1 1 A 48 48 ILE H H 45 8.190 8.071 0.119 1
1 559 . 6 1 1 A 48 48 ILE HA H 45 4.100 4.605 -0.505 1
1 569 . 6 1 1 A 48 48 ILE C C 45 175.200 174.731 0.469 1
1 570 . 6 1 1 A 48 48 ILE CA C 45 59.400 60.347 -0.947 1
1 571 . 6 1 1 A 48 48 ILE CB C 45 36.500 39.008 -2.508 1
1 575 . 6 1 1 A 48 48 ILE N N 45 118.300 119.062 -0.762 1
1 576 . 6 1 1 A 49 49 ASP H H 46 8.720 8.658 0.062 1
1 577 . 6 1 1 A 49 49 ASP HA H 46 4.530 4.778 -0.248 1
1 580 . 6 1 1 A 49 49 ASP CA C 46 51.400 51.744 -0.344 1
1 581 . 6 1 1 A 49 49 ASP CB C 46 42.900 42.155 0.745 1
1 582 . 6 1 1 A 49 49 ASP N N 46 128.600 128.343 0.257 1
1 583 . 6 1 1 A 50 50 PRO HA H 47 4.500 4.503 -0.003 1
1 590 . 6 1 1 A 50 50 PRO C C 47 177.800 177.176 0.624 1
1 591 . 6 1 1 A 50 50 PRO CA C 47 63.700 63.669 0.031 1
1 592 . 6 1 1 A 50 50 PRO CB C 47 32.200 32.334 -0.134 1
1 595 . 6 1 1 A 51 51 PHE H H 48 9.270 8.113 1.157 1
1 596 . 6 1 1 A 51 51 PHE HA H 48 3.980 4.438 -0.458 1
1 601 . 6 1 1 A 51 51 PHE C C 48 177.100 177.589 -0.489 1
1 602 . 6 1 1 A 51 51 PHE CA C 48 61.400 60.579 0.821 1
1 603 . 6 1 1 A 51 51 PHE CB C 48 37.900 39.928 -2.028 1
1 606 . 6 1 1 A 51 51 PHE N N 48 121.800 116.550 5.250 1
1 607 . 6 1 1 A 52 52 PHE H H 49 7.440 8.415 -0.975 1
1 608 . 6 1 1 A 52 52 PHE HA H 49 4.560 4.575 -0.015 1
1 616 . 6 1 1 A 52 52 PHE C C 49 176.100 175.441 0.659 1
1 617 . 6 1 1 A 52 52 PHE CA C 49 58.300 59.989 -1.689 1
1 618 . 6 1 1 A 52 52 PHE CB C 49 42.000 40.057 1.943 1
1 624 . 6 1 1 A 52 52 PHE N N 49 114.500 119.941 -5.441 1
1 625 . 6 1 1 A 53 53 GLU H H 50 8.590 8.077 0.513 1
1 626 . 6 1 1 A 53 53 GLU HA H 50 3.780 4.324 -0.544 1
1 631 . 6 1 1 A 53 53 GLU C C 50 175.000 175.058 -0.058 1
1 632 . 6 1 1 A 53 53 GLU CA C 50 57.300 57.311 -0.011 1
1 633 . 6 1 1 A 53 53 GLU CB C 50 27.100 27.227 -0.127 1
1 635 . 6 1 1 A 53 53 GLU N N 50 120.300 118.363 1.937 1
1 636 . 6 1 1 A 54 54 SER H H 51 7.100 8.138 -1.038 1
1 637 . 6 1 1 A 54 54 SER HA H 51 4.910 4.728 0.182 1
1 640 . 6 1 1 A 54 54 SER CA C 51 56.500 58.529 -2.029 1
1 641 . 6 1 1 A 54 54 SER CB C 51 66.100 64.063 2.037 1
1 642 . 6 1 1 A 54 54 SER N N 51 110.300 115.378 -5.078 1
1 643 . 6 1 1 A 55 55 SER HA H 52 4.550 4.444 0.106 1
1 646 . 6 1 1 A 55 55 SER C C 52 173.500 174.665 -1.165 1
1 647 . 6 1 1 A 55 55 SER CA C 52 56.700 61.541 -4.841 1
1 648 . 6 1 1 A 55 55 SER CB C 52 62.100 63.976 -1.876 1
1 649 . 6 1 1 A 56 56 VAL H H 53 7.590 7.655 -0.065 1
1 650 . 6 1 1 A 56 56 VAL HA H 53 4.900 4.476 0.424 1
1 658 . 6 1 1 A 56 56 VAL C C 53 176.800 175.840 0.960 1
1 659 . 6 1 1 A 56 56 VAL CA C 53 61.300 59.955 1.345 1
1 660 . 6 1 1 A 56 56 VAL CB C 53 36.200 34.709 1.491 1
1 663 . 6 1 1 A 56 56 VAL N N 53 117.400 116.615 0.785 1
1 664 . 6 1 1 A 57 57 LEU H H 54 8.690 8.646 0.044 1
1 665 . 6 1 1 A 57 57 LEU HA H 54 3.930 4.333 -0.403 1
1 675 . 6 1 1 A 57 57 LEU C C 54 179.500 179.075 0.425 1
1 676 . 6 1 1 A 57 57 LEU CA C 54 60.000 56.309 3.691 1
1 677 . 6 1 1 A 57 57 LEU CB C 54 40.800 42.127 -1.327 1
1 681 . 6 1 1 A 57 57 LEU N N 54 121.100 126.290 -5.190 1
1 682 . 6 1 1 A 58 58 SER H H 55 9.750 8.313 1.437 1
1 683 . 6 1 1 A 58 58 SER HA H 55 3.800 4.341 -0.541 1
1 686 . 6 1 1 A 58 58 SER C C 55 174.100 175.871 -1.771 1
1 687 . 6 1 1 A 58 58 SER CA C 55 61.600 61.391 0.209 1
1 688 . 6 1 1 A 58 58 SER CB C 55 61.900 62.579 -0.679 1
1 689 . 6 1 1 A 58 58 SER N N 55 113.400 114.493 -1.093 1
1 690 . 6 1 1 A 59 59 ARG H H 56 7.510 7.884 -0.374 1
1 691 . 6 1 1 A 59 59 ARG HA H 56 4.560 4.513 0.047 1
1 698 . 6 1 1 A 59 59 ARG C C 56 177.500 175.113 2.387 1
1 699 . 6 1 1 A 59 59 ARG CA C 56 55.400 55.925 -0.525 1
1 700 . 6 1 1 A 59 59 ARG CB C 56 30.400 29.589 0.811 1
1 703 . 6 1 1 A 59 59 ARG N N 56 118.400 118.679 -0.279 1
1 704 . 6 1 1 A 60 60 GLY H H 57 8.550 7.800 0.750 1
1 705 . 6 1 1 A 60 60 GLY HA2 H 57 4.020 4.317 -0.297 1
1 706 . 6 1 1 A 60 60 GLY HA3 H 57 4.020 4.338 -0.318 1
1 707 . 6 1 1 A 60 60 GLY C C 57 171.200 172.218 -1.018 1
1 708 . 6 1 1 A 60 60 GLY CA C 57 45.400 44.164 1.236 1
1 709 . 6 1 1 A 60 60 GLY N N 57 108.600 108.094 0.506 1
1 710 . 6 1 1 A 61 61 LEU H H 58 7.740 8.562 -0.822 1
1 711 . 6 1 1 A 61 61 LEU HA H 58 4.640 4.607 0.033 1
1 721 . 6 1 1 A 61 61 LEU C C 58 177.000 176.369 0.631 1
1 722 . 6 1 1 A 61 61 LEU CA C 58 54.200 55.105 -0.905 1
1 723 . 6 1 1 A 61 61 LEU CB C 58 43.700 42.379 1.321 1
1 727 . 6 1 1 A 61 61 LEU N N 58 119.100 121.976 -2.876 1
1 728 . 6 1 1 A 62 62 ILE H H 59 8.780 8.863 -0.083 1
1 729 . 6 1 1 A 62 62 ILE HA H 59 4.660 4.695 -0.035 1
1 739 . 6 1 1 A 62 62 ILE C C 59 175.500 174.876 0.624 1
1 740 . 6 1 1 A 62 62 ILE CA C 59 60.600 60.632 -0.032 1
1 741 . 6 1 1 A 62 62 ILE CB C 59 38.700 38.586 0.114 1
1 745 . 6 1 1 A 62 62 ILE N N 59 126.500 123.819 2.681 1
1 746 . 6 1 1 A 63 63 ALA H H 60 9.110 9.239 -0.129 1
1 747 . 6 1 1 A 63 63 ALA HA H 60 4.590 5.021 -0.431 1
1 751 . 6 1 1 A 63 63 ALA C C 60 175.000 175.926 -0.926 1
1 752 . 6 1 1 A 63 63 ALA CA C 60 51.300 49.983 1.317 1
1 753 . 6 1 1 A 63 63 ALA CB C 60 23.100 22.217 0.883 1
1 754 . 6 1 1 A 63 63 ALA N N 60 129.300 130.904 -1.604 1
1 755 . 6 1 1 A 64 64 GLU H H 61 8.460 8.664 -0.204 1
1 756 . 6 1 1 A 64 64 GLU HA H 61 5.070 4.623 0.447 1
1 761 . 6 1 1 A 64 64 GLU C C 61 176.000 175.549 0.451 1
1 762 . 6 1 1 A 64 64 GLU CA C 61 55.100 56.547 -1.447 1
1 763 . 6 1 1 A 64 64 GLU CB C 61 31.200 30.836 0.364 1
1 765 . 6 1 1 A 64 64 GLU N N 61 121.500 121.605 -0.105 1
1 766 . 6 1 1 A 65 65 HIS H H 62 9.310 9.668 -0.358 1
1 767 . 6 1 1 A 65 65 HIS HA H 62 4.740 4.872 -0.132 1
1 772 . 6 1 1 A 65 65 HIS CA C 62 56.400 55.483 0.917 1
1 773 . 6 1 1 A 65 65 HIS CB C 62 32.600 31.191 1.409 1
1 776 . 6 1 1 A 65 65 HIS N N 62 123.500 127.318 -3.818 1
1 777 . 6 1 1 A 66 66 GLN HA H 63 3.870 3.863 0.007 1
1 784 . 6 1 1 A 66 66 GLN C C 63 176.000 175.857 0.143 1
1 785 . 6 1 1 A 66 66 GLN CA C 63 56.600 56.877 -0.277 1
1 786 . 6 1 1 A 66 66 GLN CB C 63 26.800 26.569 0.231 1
1 790 . 6 1 1 A 67 67 GLY H H 64 8.970 8.439 0.531 1
1 791 . 6 1 1 A 67 67 GLY HA2 H 64 3.680 4.089 -0.409 1
1 792 . 6 1 1 A 67 67 GLY HA3 H 64 4.140 4.094 0.046 1
1 793 . 6 1 1 A 67 67 GLY C C 64 173.800 175.004 -1.204 1
1 794 . 6 1 1 A 67 67 GLY CA C 64 45.600 45.424 0.176 1
1 795 . 6 1 1 A 67 67 GLY N N 64 104.200 105.837 -1.637 1
1 796 . 6 1 1 A 68 68 GLU H H 65 7.850 7.877 -0.027 1
1 797 . 6 1 1 A 68 68 GLU HA H 65 4.810 4.672 0.138 1
1 802 . 6 1 1 A 68 68 GLU C C 65 174.400 175.898 -1.498 1
1 803 . 6 1 1 A 68 68 GLU CA C 65 54.100 55.516 -1.416 1
1 804 . 6 1 1 A 68 68 GLU CB C 65 34.000 31.180 2.820 1
1 806 . 6 1 1 A 68 68 GLU N N 65 118.800 121.004 -2.204 1
1 807 . 6 1 1 A 69 69 LEU H H 66 8.030 8.583 -0.553 1
1 808 . 6 1 1 A 69 69 LEU HA H 66 4.920 4.948 -0.028 1
1 818 . 6 1 1 A 69 69 LEU C C 66 177.100 175.425 1.675 1
1 819 . 6 1 1 A 69 69 LEU CA C 66 54.300 53.254 1.046 1
1 820 . 6 1 1 A 69 69 LEU CB C 66 44.500 42.947 1.553 1
1 824 . 6 1 1 A 69 69 LEU N N 66 119.000 122.870 -3.870 1
1 825 . 6 1 1 A 70 70 TRP H H 67 8.980 9.322 -0.342 1
1 826 . 6 1 1 A 70 70 TRP HA H 67 5.140 5.328 -0.188 1
1 835 . 6 1 1 A 70 70 TRP C C 67 174.400 175.353 -0.953 1
1 836 . 6 1 1 A 70 70 TRP CA C 67 55.100 55.236 -0.136 1
1 837 . 6 1 1 A 70 70 TRP CB C 67 31.800 32.120 -0.320 1
1 843 . 6 1 1 A 70 70 TRP N N 67 122.200 125.342 -3.142 1
1 845 . 6 1 1 A 71 71 VAL H H 68 9.490 9.156 0.334 1
1 846 . 6 1 1 A 71 71 VAL HA H 68 4.990 4.990 0.000 1
1 854 . 6 1 1 A 71 71 VAL C C 68 173.000 174.240 -1.240 1
1 855 . 6 1 1 A 71 71 VAL CA C 68 58.500 60.199 -1.699 1
1 856 . 6 1 1 A 71 71 VAL CB C 68 34.300 33.395 0.905 1
1 859 . 6 1 1 A 71 71 VAL N N 68 120.900 124.309 -3.409 1
1 860 . 6 1 1 A 72 72 ALA H H 69 8.550 9.560 -1.010 1
1 861 . 6 1 1 A 72 72 ALA HA H 69 5.280 5.652 -0.372 1
1 865 . 6 1 1 A 72 72 ALA C C 69 178.000 176.416 1.584 1
1 866 . 6 1 1 A 72 72 ALA CA C 69 49.200 50.302 -1.102 1
1 867 . 6 1 1 A 72 72 ALA CB C 69 19.700 21.181 -1.481 1
1 868 . 6 1 1 A 72 72 ALA N N 69 130.000 131.676 -1.676 1
1 869 . 6 1 1 A 73 73 SER H H 70 9.470 9.328 0.142 1
1 870 . 6 1 1 A 73 73 SER HA H 70 4.540 4.786 -0.246 1
1 873 . 6 1 1 A 73 73 SER CA C 70 55.700 56.356 -0.656 1
1 874 . 6 1 1 A 73 73 SER CB C 70 64.400 62.936 1.464 1
1 875 . 6 1 1 A 73 73 SER N N 70 118.100 119.192 -1.092 1
1 876 . 6 1 1 A 74 74 PRO HA H 71 4.540 4.536 0.004 1
1 883 . 6 1 1 A 74 74 PRO C C 71 176.700 177.677 -0.977 1
1 884 . 6 1 1 A 74 74 PRO CA C 71 64.000 63.765 0.235 1
1 885 . 6 1 1 A 74 74 PRO CB C 71 32.300 31.849 0.451 1
1 888 . 6 1 1 A 75 75 LEU H H 72 7.850 8.051 -0.201 1
1 889 . 6 1 1 A 75 75 LEU HA H 72 4.330 4.076 0.254 1
1 899 . 6 1 1 A 75 75 LEU CA C 72 56.200 57.830 -1.630 1
1 900 . 6 1 1 A 75 75 LEU CB C 72 38.500 41.558 -3.058 1
1 904 . 6 1 1 A 75 75 LEU N N 72 119.300 118.035 1.265 1
1 905 . 6 1 1 A 76 76 LYS HA H 73 4.470 4.451 0.019 1
1 914 . 6 1 1 A 76 76 LYS C C 73 176.600 176.163 0.437 1
1 915 . 6 1 1 A 76 76 LYS CA C 73 54.600 55.471 -0.871 1
1 916 . 6 1 1 A 76 76 LYS CB C 73 31.700 32.797 -1.097 1
1 920 . 6 1 1 A 77 77 LYS H H 74 7.240 7.840 -0.600 1
1 921 . 6 1 1 A 77 77 LYS HA H 74 4.440 4.253 0.187 1
1 930 . 6 1 1 A 77 77 LYS C C 74 175.500 175.163 0.337 1
1 931 . 6 1 1 A 77 77 LYS CA C 74 57.800 57.119 0.681 1
1 932 . 6 1 1 A 77 77 LYS CB C 74 28.600 30.963 -2.363 1
1 936 . 6 1 1 A 77 77 LYS N N 74 110.900 119.240 -8.340 1
1 937 . 6 1 1 A 78 78 GLN H H 75 8.080 7.403 0.677 1
1 938 . 6 1 1 A 78 78 GLN HA H 75 4.030 4.847 -0.817 1
1 945 . 6 1 1 A 78 78 GLN C C 75 174.500 174.246 0.254 1
1 946 . 6 1 1 A 78 78 GLN CA C 75 58.400 54.481 3.919 1
1 947 . 6 1 1 A 78 78 GLN CB C 75 27.400 31.550 -4.150 1
1 949 . 6 1 1 A 78 78 GLN N N 75 119.100 117.980 1.120 1
1 951 . 6 1 1 A 79 79 ARG H H 76 9.800 8.581 1.219 1
1 952 . 6 1 1 A 79 79 ARG HA H 76 5.310 5.554 -0.244 1
1 960 . 6 1 1 A 79 79 ARG C C 76 175.800 174.762 1.038 1
1 961 . 6 1 1 A 79 79 ARG CA C 76 55.300 54.881 0.419 1
1 962 . 6 1 1 A 79 79 ARG CB C 76 33.100 33.104 -0.004 1
1 965 . 6 1 1 A 79 79 ARG N N 76 122.800 123.353 -0.553 1
1 967 . 6 1 1 A 80 80 PHE H H 77 9.220 9.692 -0.472 1
1 968 . 6 1 1 A 80 80 PHE HA H 77 5.630 4.993 0.637 1
1 976 . 6 1 1 A 80 80 PHE C C 77 175.300 174.368 0.932 1
1 977 . 6 1 1 A 80 80 PHE CA C 77 55.800 56.416 -0.616 1
1 978 . 6 1 1 A 80 80 PHE CB C 77 41.300 42.362 -1.062 1
1 984 . 6 1 1 A 80 80 PHE N N 77 119.400 125.899 -6.499 1
1 985 . 6 1 1 A 81 81 ARG H H 78 9.870 9.100 0.770 1
1 986 . 6 1 1 A 81 81 ARG HA H 78 3.490 3.609 -0.119 1
1 996 . 6 1 1 A 81 81 ARG C C 78 177.400 176.252 1.148 1
1 997 . 6 1 1 A 81 81 ARG CA C 78 58.100 54.769 3.331 1
1 998 . 6 1 1 A 81 81 ARG CB C 78 30.500 28.668 1.832 1
1 1001 . 6 1 1 A 81 81 ARG N N 78 130.100 124.006 6.094 1
1 1004 . 6 1 1 A 82 82 LEU H H 79 7.860 7.978 -0.118 1
1 1005 . 6 1 1 A 82 82 LEU HA H 79 3.790 3.952 -0.162 1
1 1015 . 6 1 1 A 82 82 LEU C C 79 177.500 178.748 -1.248 1
1 1016 . 6 1 1 A 82 82 LEU CA C 79 57.600 57.351 0.249 1
1 1017 . 6 1 1 A 82 82 LEU CB C 79 39.600 41.303 -1.703 1
1 1021 . 6 1 1 A 82 82 LEU N N 79 125.300 124.820 0.480 1
1 1022 . 6 1 1 A 83 83 SER H H 80 8.000 7.690 0.310 1
1 1023 . 6 1 1 A 83 83 SER HA H 80 4.200 2.842 1.358 1
1 1026 . 6 1 1 A 83 83 SER C C 80 176.600 175.584 1.016 1
1 1027 . 6 1 1 A 83 83 SER CA C 80 60.100 60.970 -0.870 1
1 1028 . 6 1 1 A 83 83 SER CB C 80 62.500 62.602 -0.102 1
1 1029 . 6 1 1 A 83 83 SER N N 80 109.700 114.895 -5.195 1
1 1030 . 6 1 1 A 84 84 ASP H H 81 7.100 7.720 -0.620 1
1 1031 . 6 1 1 A 84 84 ASP HA H 81 4.090 4.193 -0.103 1
1 1034 . 6 1 1 A 84 84 ASP C C 81 175.900 176.656 -0.756 1
1 1035 . 6 1 1 A 84 84 ASP CA C 81 53.500 52.692 0.808 1
1 1036 . 6 1 1 A 84 84 ASP CB C 81 41.900 40.824 1.076 1
1 1037 . 6 1 1 A 84 84 ASP N N 81 117.300 115.558 1.742 1
1 1038 . 6 1 1 A 85 85 GLY H H 82 8.860 8.381 0.479 1
1 1039 . 6 1 1 A 85 85 GLY HA2 H 82 3.590 4.011 -0.421 1
1 1040 . 6 1 1 A 85 85 GLY HA3 H 82 4.810 4.033 0.777 1
1 1041 . 6 1 1 A 85 85 GLY C C 82 173.700 174.292 -0.592 1
1 1042 . 6 1 1 A 85 85 GLY CA C 82 45.900 45.505 0.395 1
1 1043 . 6 1 1 A 85 85 GLY N N 82 111.300 109.451 1.849 1
1 1044 . 6 1 1 A 86 86 LEU H H 83 7.430 7.404 0.026 1
1 1045 . 6 1 1 A 86 86 LEU HA H 83 4.290 4.348 -0.058 1
1 1055 . 6 1 1 A 86 86 LEU C C 83 176.600 175.347 1.253 1
1 1056 . 6 1 1 A 86 86 LEU CA C 83 56.200 54.960 1.240 1
1 1057 . 6 1 1 A 86 86 LEU CB C 83 43.100 42.922 0.178 1
1 1061 . 6 1 1 A 86 86 LEU N N 83 120.800 122.868 -2.068 1
1 1062 . 6 1 1 A 87 87 CYS H H 84 8.080 8.855 -0.775 1
1 1063 . 6 1 1 A 87 87 CYS HA H 84 5.290 4.706 0.584 1
1 1066 . 6 1 1 A 87 87 CYS C C 84 175.300 175.418 -0.118 1
1 1067 . 6 1 1 A 87 87 CYS CA C 84 56.600 57.686 -1.086 1
1 1068 . 6 1 1 A 87 87 CYS CB C 84 27.800 29.730 -1.930 1
1 1069 . 6 1 1 A 87 87 CYS N N 84 126.300 125.464 0.836 1
1 1070 . 6 1 1 A 88 88 MET H H 85 8.760 8.666 0.094 1
1 1071 . 6 1 1 A 88 88 MET HA H 85 3.630 4.295 -0.665 1
1 1079 . 6 1 1 A 88 88 MET C C 85 177.500 177.781 -0.281 1
1 1080 . 6 1 1 A 88 88 MET CA C 85 58.800 58.414 0.386 1
1 1081 . 6 1 1 A 88 88 MET CB C 85 33.800 32.275 1.525 1
1 1084 . 6 1 1 A 88 88 MET N N 85 130.500 125.536 4.964 1
1 1085 . 6 1 1 A 89 89 GLU H H 86 9.160 8.217 0.943 1
1 1086 . 6 1 1 A 89 89 GLU HA H 86 3.770 4.160 -0.390 1
1 1091 . 6 1 1 A 89 89 GLU C C 86 177.500 176.637 0.863 1
1 1092 . 6 1 1 A 89 89 GLU CA C 86 60.900 57.824 3.076 1
1 1093 . 6 1 1 A 89 89 GLU CB C 86 29.300 29.632 -0.332 1
1 1095 . 6 1 1 A 89 89 GLU N N 86 119.200 116.712 2.488 1
1 1096 . 6 1 1 A 90 90 ASP H H 87 7.080 7.758 -0.678 1
1 1097 . 6 1 1 A 90 90 ASP HA H 87 4.590 4.655 -0.065 1
1 1100 . 6 1 1 A 90 90 ASP CA C 87 54.700 52.999 1.701 1
1 1101 . 6 1 1 A 90 90 ASP CB C 87 41.800 40.644 1.156 1
1 1102 . 6 1 1 A 90 90 ASP N N 87 115.800 120.271 -4.471 1
1 1103 . 6 1 1 A 91 91 GLU H H 88 9.340 7.966 1.374 1
1 1104 . 6 1 1 A 91 91 GLU HA H 88 4.290 4.064 0.226 1
1 1109 . 6 1 1 A 91 91 GLU C C 88 178.900 178.636 0.264 1
1 1110 . 6 1 1 A 91 91 GLU CA C 88 59.000 59.919 -0.919 1
1 1111 . 6 1 1 A 91 91 GLU CB C 88 29.100 29.358 -0.258 1
1 1113 . 6 1 1 A 91 91 GLU N N 88 127.400 119.833 7.567 1
1 1114 . 6 1 1 A 92 92 GLN H H 89 8.920 8.796 0.124 1
1 1115 . 6 1 1 A 92 92 GLN HA H 89 4.170 4.146 0.024 1
1 1122 . 6 1 1 A 92 92 GLN C C 89 176.600 177.246 -0.646 1
1 1123 . 6 1 1 A 92 92 GLN CA C 89 57.800 57.994 -0.194 1
1 1124 . 6 1 1 A 92 92 GLN CB C 89 28.400 27.777 0.623 1
1 1127 . 6 1 1 A 92 92 GLN N N 89 120.400 116.499 3.901 1
1 1129 . 6 1 1 A 93 93 PHE H H 90 8.150 8.511 -0.361 1
1 1130 . 6 1 1 A 93 93 PHE HA H 90 4.430 4.789 -0.359 1
1 1138 . 6 1 1 A 93 93 PHE C C 90 172.600 175.267 -2.667 1
1 1139 . 6 1 1 A 93 93 PHE CA C 90 57.800 59.415 -1.615 1
1 1140 . 6 1 1 A 93 93 PHE CB C 90 39.300 40.966 -1.666 1
1 1146 . 6 1 1 A 93 93 PHE N N 90 119.700 120.272 -0.572 1
1 1147 . 6 1 1 A 94 94 SER H H 91 7.020 8.437 -1.417 1
1 1148 . 6 1 1 A 94 94 SER HA H 91 4.870 4.654 0.216 1
1 1152 . 6 1 1 A 94 94 SER C C 91 174.100 174.024 0.076 1
1 1153 . 6 1 1 A 94 94 SER CA C 91 60.900 60.907 -0.007 1
1 1154 . 6 1 1 A 94 94 SER CB C 91 63.600 62.104 1.496 1
1 1155 . 6 1 1 A 94 94 SER N N 91 112.700 113.290 -0.590 1
1 1156 . 6 1 1 A 95 95 VAL H H 92 9.120 8.305 0.815 1
1 1157 . 6 1 1 A 95 95 VAL HA H 92 4.810 4.614 0.196 1
1 1165 . 6 1 1 A 95 95 VAL C C 92 175.700 174.948 0.752 1
1 1166 . 6 1 1 A 95 95 VAL CA C 92 59.200 60.314 -1.114 1
1 1167 . 6 1 1 A 95 95 VAL CB C 92 35.700 33.668 2.032 1
1 1170 . 6 1 1 A 95 95 VAL N N 92 116.900 120.013 -3.113 1
1 1171 . 6 1 1 A 96 96 LYS H H 93 8.390 8.280 0.110 1
1 1172 . 6 1 1 A 96 96 LYS HA H 93 4.010 4.440 -0.430 1
1 1181 . 6 1 1 A 96 96 LYS C C 93 174.800 175.907 -1.107 1
1 1182 . 6 1 1 A 96 96 LYS CA C 93 57.700 55.001 2.699 1
1 1183 . 6 1 1 A 96 96 LYS CB C 93 34.000 33.494 0.506 1
1 1187 . 6 1 1 A 96 96 LYS N N 93 120.300 123.006 -2.706 1
1 1188 . 6 1 1 A 97 97 HIS H H 94 8.030 8.765 -0.735 1
1 1189 . 6 1 1 A 97 97 HIS HA H 94 5.060 4.967 0.093 1
1 1194 . 6 1 1 A 97 97 HIS C C 94 172.600 172.957 -0.357 1
1 1195 . 6 1 1 A 97 97 HIS CA C 94 54.700 55.576 -0.876 1
1 1196 . 6 1 1 A 97 97 HIS CB C 94 31.400 31.944 -0.544 1
1 1199 . 6 1 1 A 97 97 HIS N N 94 121.000 126.991 -5.991 1
1 1200 . 6 1 1 A 98 98 TYR H H 95 7.610 8.781 -1.171 1
1 1201 . 6 1 1 A 98 98 TYR HA H 95 4.410 4.609 -0.199 1
1 1208 . 6 1 1 A 98 98 TYR C C 95 173.600 175.655 -2.055 1
1 1209 . 6 1 1 A 98 98 TYR CA C 95 56.400 56.618 -0.218 1
1 1210 . 6 1 1 A 98 98 TYR CB C 95 40.900 41.324 -0.424 1
1 1215 . 6 1 1 A 98 98 TYR N N 95 121.800 125.593 -3.793 1
1 1216 . 6 1 1 A 99 99 GLU H H 96 8.480 8.660 -0.180 1
1 1217 . 6 1 1 A 99 99 GLU HA H 96 4.420 4.757 -0.337 1
1 1222 . 6 1 1 A 99 99 GLU C C 96 174.300 176.110 -1.810 1
1 1223 . 6 1 1 A 99 99 GLU CA C 96 56.600 56.867 -0.267 1
1 1224 . 6 1 1 A 99 99 GLU CB C 96 30.700 30.149 0.551 1
1 1226 . 6 1 1 A 99 99 GLU N N 96 122.200 122.948 -0.748 1
1 1227 . 6 1 1 A 100 100 ALA H H 97 8.420 8.943 -0.523 1
1 1228 . 6 1 1 A 100 100 ALA HA H 97 5.940 6.139 -0.199 1
1 1232 . 6 1 1 A 100 100 ALA C C 97 176.100 176.033 0.067 1
1 1233 . 6 1 1 A 100 100 ALA CA C 97 50.400 50.075 0.325 1
1 1234 . 6 1 1 A 100 100 ALA CB C 97 23.700 23.009 0.691 1
1 1235 . 6 1 1 A 100 100 ALA N N 97 124.100 128.113 -4.013 1
1 1236 . 6 1 1 A 101 101 ARG H H 98 9.000 9.078 -0.078 1
1 1237 . 6 1 1 A 101 101 ARG HA H 98 4.640 5.095 -0.455 1
1 1245 . 6 1 1 A 101 101 ARG C C 98 172.100 174.052 -1.952 1
1 1246 . 6 1 1 A 101 101 ARG CA C 98 54.200 54.452 -0.252 1
1 1247 . 6 1 1 A 101 101 ARG CB C 98 32.800 34.018 -1.218 1
1 1250 . 6 1 1 A 101 101 ARG N N 98 118.400 117.700 0.700 1
1 1252 . 6 1 1 A 102 102 VAL H H 99 8.330 8.813 -0.483 1
1 1253 . 6 1 1 A 102 102 VAL HA H 99 4.720 4.542 0.178 1
1 1261 . 6 1 1 A 102 102 VAL C C 99 175.200 174.229 0.971 1
1 1262 . 6 1 1 A 102 102 VAL CA C 99 61.100 61.459 -0.359 1
1 1263 . 6 1 1 A 102 102 VAL CB C 99 32.700 31.794 0.906 1
1 1266 . 6 1 1 A 102 102 VAL N N 99 119.500 122.581 -3.081 1
1 1267 . 6 1 1 A 103 103 LYS H H 100 9.070 8.938 0.132 1
1 1268 . 6 1 1 A 103 103 LYS HA H 100 4.460 4.473 -0.013 1
1 1277 . 6 1 1 A 103 103 LYS C C 100 175.700 176.118 -0.418 1
1 1278 . 6 1 1 A 103 103 LYS CA C 100 54.300 55.093 -0.793 1
1 1279 . 6 1 1 A 103 103 LYS CB C 100 34.800 33.283 1.517 1
1 1283 . 6 1 1 A 103 103 LYS N N 100 130.200 128.255 1.945 1
1 1284 . 6 1 1 A 104 104 ASP H H 101 9.560 9.184 0.376 1
1 1285 . 6 1 1 A 104 104 ASP HA H 101 4.210 4.263 -0.053 1
1 1288 . 6 1 1 A 104 104 ASP C C 101 175.800 175.328 0.472 1
1 1289 . 6 1 1 A 104 104 ASP CA C 101 55.500 55.074 0.426 1
1 1290 . 6 1 1 A 104 104 ASP CB C 101 39.700 39.788 -0.088 1
1 1291 . 6 1 1 A 104 104 ASP N N 101 130.600 126.902 3.698 1
1 1292 . 6 1 1 A 105 105 GLY H H 102 8.260 8.316 -0.056 1
1 1293 . 6 1 1 A 105 105 GLY HA2 H 102 3.450 3.993 -0.543 1
1 1294 . 6 1 1 A 105 105 GLY HA3 H 102 4.170 3.995 0.175 1
1 1295 . 6 1 1 A 105 105 GLY C C 102 173.300 173.677 -0.377 1
1 1296 . 6 1 1 A 105 105 GLY CA C 102 45.300 44.876 0.424 1
1 1297 . 6 1 1 A 105 105 GLY N N 102 101.900 105.125 -3.225 1
1 1298 . 6 1 1 A 106 106 VAL H H 103 7.900 8.021 -0.121 1
1 1299 . 6 1 1 A 106 106 VAL HA H 103 4.270 4.158 0.112 1
1 1307 . 6 1 1 A 106 106 VAL C C 103 175.100 174.696 0.404 1
1 1308 . 6 1 1 A 106 106 VAL CA C 103 62.100 62.150 -0.050 1
1 1309 . 6 1 1 A 106 106 VAL CB C 103 34.100 32.812 1.288 1
1 1312 . 6 1 1 A 106 106 VAL N N 103 123.800 122.546 1.254 1
1 1313 . 6 1 1 A 107 107 VAL H H 104 9.290 9.082 0.208 1
1 1314 . 6 1 1 A 107 107 VAL HA H 104 4.220 4.233 -0.013 1
1 1322 . 6 1 1 A 107 107 VAL C C 104 174.300 175.206 -0.906 1
1 1323 . 6 1 1 A 107 107 VAL CA C 104 62.700 62.869 -0.169 1
1 1324 . 6 1 1 A 107 107 VAL CB C 104 31.500 31.415 0.085 1
1 1327 . 6 1 1 A 107 107 VAL N N 104 127.300 128.348 -1.048 1
1 1328 . 6 1 1 A 108 108 GLN H H 105 9.410 9.073 0.337 1
1 1329 . 6 1 1 A 108 108 GLN HA H 105 5.720 5.243 0.477 1
1 1336 . 6 1 1 A 108 108 GLN C C 105 174.900 174.747 0.153 1
1 1337 . 6 1 1 A 108 108 GLN CA C 105 53.400 54.553 -1.153 1
1 1338 . 6 1 1 A 108 108 GLN CB C 105 34.600 32.059 2.541 1
1 1341 . 6 1 1 A 108 108 GLN N N 105 126.500 127.310 -0.810 1
1 1343 . 6 1 1 A 109 109 LEU H H 106 8.530 9.343 -0.813 1
1 1344 . 6 1 1 A 109 109 LEU HA H 106 5.760 5.330 0.430 1
1 1354 . 6 1 1 A 109 109 LEU C C 106 176.300 174.965 1.335 1
1 1355 . 6 1 1 A 109 109 LEU CA C 106 52.800 53.416 -0.616 1
1 1356 . 6 1 1 A 109 109 LEU CB C 106 48.900 43.403 5.497 1
1 1360 . 6 1 1 A 109 109 LEU N N 106 118.900 125.035 -6.135 1
1 1361 . 6 1 1 A 110 110 ARG H H 107 8.310 9.185 -0.875 1
1 1362 . 6 1 1 A 110 110 ARG HA H 107 4.230 4.667 -0.437 1
1 1370 . 6 1 1 A 110 110 ARG C C 107 174.800 175.059 -0.259 1
1 1371 . 6 1 1 A 110 110 ARG CA C 107 55.700 54.729 0.971 1
1 1372 . 6 1 1 A 110 110 ARG CB C 107 31.900 29.999 1.901 1
1 1375 . 6 1 1 A 110 110 ARG N N 107 119.900 125.622 -5.722 1
1 1377 . 6 1 1 A 111 111 GLY H H 108 8.390 8.345 0.045 1
1 1378 . 6 1 1 A 111 111 GLY HA2 H 108 3.880 4.210 -0.330 1
1 1379 . 6 1 1 A 111 111 GLY HA3 H 108 4.130 4.412 -0.282 1
1 1380 . 6 1 1 A 111 111 GLY C C 108 173.500 172.926 0.574 1
1 1381 . 6 1 1 A 111 111 GLY CA C 108 45.000 45.687 -0.687 1
1 1382 . 6 1 1 A 111 111 GLY N N 108 110.000 113.359 -3.359 1
1 1383 . 6 1 1 A 112 112 GLY H H 109 8.280 8.525 -0.245 1
1 1384 . 6 1 1 A 112 112 GLY HA2 H 109 3.850 3.986 -0.136 1
1 1385 . 6 1 1 A 112 112 GLY HA3 H 109 3.950 4.041 -0.091 1
1 1386 . 6 1 1 A 112 112 GLY C C 109 173.200 174.317 -1.117 1
1 1387 . 6 1 1 A 112 112 GLY CA C 109 45.100 45.308 -0.208 1
1 1388 . 6 1 1 A 112 112 GLY N N 109 108.400 107.989 0.411 1
1 10 . 7 1 1 A 5 5 SER H H 2 8.360 8.756 -0.396 1
1 11 . 7 1 1 A 5 5 SER HA H 2 4.400 5.044 -0.644 1
1 14 . 7 1 1 A 5 5 SER C C 2 174.100 172.147 1.953 1
1 15 . 7 1 1 A 5 5 SER CA C 2 58.200 56.799 1.401 1
1 16 . 7 1 1 A 5 5 SER CB C 2 63.700 64.014 -0.314 1
1 17 . 7 1 1 A 5 5 SER N N 2 117.000 116.653 0.347 1
1 18 . 7 1 1 A 6 6 GLN H H 3 8.280 8.901 -0.621 1
1 19 . 7 1 1 A 6 6 GLN HA H 3 4.320 4.591 -0.271 1
1 26 . 7 1 1 A 6 6 GLN C C 3 175.500 174.231 1.269 1
1 27 . 7 1 1 A 6 6 GLN CA C 3 55.400 54.626 0.774 1
1 28 . 7 1 1 A 6 6 GLN CB C 3 30.100 28.218 1.882 1
1 31 . 7 1 1 A 6 6 GLN N N 3 121.800 126.864 -5.064 1
1 33 . 7 1 1 A 7 7 TRP H H 4 8.170 8.849 -0.679 1
1 34 . 7 1 1 A 7 7 TRP HA H 4 4.470 5.268 -0.798 1
1 43 . 7 1 1 A 7 7 TRP C C 4 176.200 175.517 0.683 1
1 44 . 7 1 1 A 7 7 TRP CA C 4 57.600 56.962 0.638 1
1 45 . 7 1 1 A 7 7 TRP CB C 4 30.300 28.917 1.383 1
1 51 . 7 1 1 A 7 7 TRP N N 4 122.300 127.513 -5.213 1
1 53 . 7 1 1 A 8 8 LYS H H 5 9.370 8.686 0.684 1
1 54 . 7 1 1 A 8 8 LYS HA H 5 4.690 4.609 0.081 1
1 63 . 7 1 1 A 8 8 LYS C C 5 175.600 176.058 -0.458 1
1 64 . 7 1 1 A 8 8 LYS CA C 5 54.200 56.299 -2.099 1
1 65 . 7 1 1 A 8 8 LYS CB C 5 34.700 33.266 1.434 1
1 69 . 7 1 1 A 8 8 LYS N N 5 125.100 126.212 -1.112 1
1 70 . 7 1 1 A 9 9 ASP H H 6 8.730 8.784 -0.054 1
1 71 . 7 1 1 A 9 9 ASP HA H 6 4.500 4.775 -0.275 1
1 74 . 7 1 1 A 9 9 ASP C C 6 176.200 175.468 0.732 1
1 75 . 7 1 1 A 9 9 ASP CA C 6 55.400 54.502 0.898 1
1 76 . 7 1 1 A 9 9 ASP CB C 6 40.700 41.321 -0.621 1
1 77 . 7 1 1 A 9 9 ASP N N 6 125.400 125.791 -0.391 1
1 78 . 7 1 1 A 10 10 ILE H H 7 9.300 9.294 0.006 1
1 79 . 7 1 1 A 10 10 ILE HA H 7 4.300 4.178 0.122 1
1 89 . 7 1 1 A 10 10 ILE C C 7 175.500 176.030 -0.530 1
1 90 . 7 1 1 A 10 10 ILE CA C 7 60.000 62.681 -2.681 1
1 91 . 7 1 1 A 10 10 ILE CB C 7 37.700 38.550 -0.850 1
1 95 . 7 1 1 A 10 10 ILE N N 7 122.900 123.123 -0.223 1
1 96 . 7 1 1 A 11 11 CYS H H 8 7.510 7.778 -0.268 1
1 97 . 7 1 1 A 11 11 CYS HA H 8 4.880 4.632 0.248 1
1 100 . 7 1 1 A 11 11 CYS C C 8 172.300 172.808 -0.508 1
1 101 . 7 1 1 A 11 11 CYS CA C 8 55.700 57.659 -1.959 1
1 102 . 7 1 1 A 11 11 CYS CB C 8 28.800 28.985 -0.185 1
1 103 . 7 1 1 A 11 11 CYS N N 8 111.400 116.282 -4.882 1
1 104 . 7 1 1 A 12 12 LYS H H 9 8.920 8.313 0.607 1
1 105 . 7 1 1 A 12 12 LYS HA H 9 4.880 4.882 -0.002 1
1 114 . 7 1 1 A 12 12 LYS C C 9 179.400 178.122 1.278 1
1 115 . 7 1 1 A 12 12 LYS CA C 9 55.700 54.529 1.171 1
1 116 . 7 1 1 A 12 12 LYS CB C 9 32.100 34.250 -2.150 1
1 120 . 7 1 1 A 12 12 LYS N N 9 120.100 119.552 0.548 1
1 121 . 7 1 1 A 13 13 ILE H H 10 8.640 8.964 -0.324 1
1 122 . 7 1 1 A 13 13 ILE HA H 10 3.990 3.978 0.012 1
1 132 . 7 1 1 A 13 13 ILE C C 10 174.900 176.776 -1.876 1
1 133 . 7 1 1 A 13 13 ILE CA C 10 61.000 63.341 -2.341 1
1 134 . 7 1 1 A 13 13 ILE CB C 10 37.800 38.159 -0.359 1
1 138 . 7 1 1 A 13 13 ILE N N 10 123.700 124.740 -1.040 1
1 139 . 7 1 1 A 14 14 ASP H H 11 7.600 8.226 -0.626 1
1 140 . 7 1 1 A 14 14 ASP HA H 11 4.350 4.343 0.007 1
1 143 . 7 1 1 A 14 14 ASP C C 11 176.500 177.969 -1.469 1
1 144 . 7 1 1 A 14 14 ASP CA C 11 55.400 57.370 -1.970 1
1 145 . 7 1 1 A 14 14 ASP CB C 11 40.400 41.163 -0.763 1
1 146 . 7 1 1 A 14 14 ASP N N 11 115.800 121.740 -5.940 1
1 147 . 7 1 1 A 15 15 ASP H H 12 7.600 8.084 -0.484 1
1 148 . 7 1 1 A 15 15 ASP HA H 12 4.490 4.570 -0.080 1
1 151 . 7 1 1 A 15 15 ASP C C 12 175.600 176.808 -1.208 1
1 152 . 7 1 1 A 15 15 ASP CA C 12 55.500 56.992 -1.492 1
1 153 . 7 1 1 A 15 15 ASP CB C 12 40.900 40.913 -0.013 1
1 154 . 7 1 1 A 15 15 ASP N N 12 116.800 117.618 -0.818 1
1 155 . 7 1 1 A 16 16 ILE H H 13 7.700 8.084 -0.384 1
1 156 . 7 1 1 A 16 16 ILE HA H 13 4.000 4.340 -0.340 1
1 166 . 7 1 1 A 16 16 ILE C C 13 174.100 175.190 -1.090 1
1 167 . 7 1 1 A 16 16 ILE CA C 13 60.500 60.374 0.126 1
1 168 . 7 1 1 A 16 16 ILE CB C 13 38.200 38.200 0.000 1
1 172 . 7 1 1 A 16 16 ILE N N 13 120.900 119.006 1.894 1
1 173 . 7 1 1 A 17 17 LEU H H 14 7.970 8.831 -0.861 1
1 174 . 7 1 1 A 17 17 LEU HA H 14 4.370 4.645 -0.275 1
1 184 . 7 1 1 A 17 17 LEU CA C 14 53.800 53.294 0.506 1
1 185 . 7 1 1 A 17 17 LEU CB C 14 40.500 40.917 -0.417 1
1 189 . 7 1 1 A 17 17 LEU N N 14 127.800 129.790 -1.990 1
1 190 . 7 1 1 A 18 18 PRO HA H 15 4.080 4.410 -0.330 1
1 197 . 7 1 1 A 18 18 PRO C C 15 175.700 176.630 -0.930 1
1 198 . 7 1 1 A 18 18 PRO CA C 15 64.300 63.804 0.496 1
1 199 . 7 1 1 A 18 18 PRO CB C 15 31.600 31.892 -0.292 1
1 202 . 7 1 1 A 19 19 GLU H H 16 8.930 8.486 0.444 1
1 203 . 7 1 1 A 19 19 GLU HA H 16 3.660 4.140 -0.480 1
1 208 . 7 1 1 A 19 19 GLU C C 16 175.500 175.015 0.485 1
1 209 . 7 1 1 A 19 19 GLU CA C 16 58.300 57.169 1.131 1
1 210 . 7 1 1 A 19 19 GLU CB C 16 27.300 28.062 -0.762 1
1 212 . 7 1 1 A 19 19 GLU N N 16 113.700 117.388 -3.688 1
1 213 . 7 1 1 A 20 20 THR H H 17 7.790 7.288 0.502 1
1 214 . 7 1 1 A 20 20 THR HA H 17 5.080 5.045 0.035 1
1 220 . 7 1 1 A 20 20 THR C C 17 172.100 173.208 -1.108 1
1 221 . 7 1 1 A 20 20 THR CA C 17 60.700 60.674 0.026 1
1 222 . 7 1 1 A 20 20 THR CB C 17 73.100 72.329 0.771 1
1 224 . 7 1 1 A 20 20 THR N N 17 110.000 112.909 -2.909 1
1 225 . 7 1 1 A 21 21 GLY H H 18 8.080 8.708 -0.628 1
1 226 . 7 1 1 A 21 21 GLY HA2 H 18 3.070 3.823 -0.753 1
1 227 . 7 1 1 A 21 21 GLY HA3 H 18 5.270 4.012 1.258 1
1 228 . 7 1 1 A 21 21 GLY C C 18 173.400 172.340 1.060 1
1 229 . 7 1 1 A 21 21 GLY CA C 18 44.600 44.219 0.381 1
1 230 . 7 1 1 A 21 21 GLY N N 18 103.700 112.478 -8.778 1
1 231 . 7 1 1 A 22 22 VAL H H 19 8.520 9.145 -0.625 1
1 232 . 7 1 1 A 22 22 VAL HA H 19 4.570 4.967 -0.397 1
1 240 . 7 1 1 A 22 22 VAL C C 19 172.900 173.375 -0.475 1
1 241 . 7 1 1 A 22 22 VAL CA C 19 58.900 58.798 0.102 1
1 242 . 7 1 1 A 22 22 VAL CB C 19 35.900 35.174 0.726 1
1 245 . 7 1 1 A 22 22 VAL N N 19 112.900 118.334 -5.434 1
1 246 . 7 1 1 A 23 23 CYS H H 20 8.290 8.919 -0.629 1
1 247 . 7 1 1 A 23 23 CYS HA H 20 5.250 5.075 0.175 1
1 250 . 7 1 1 A 23 23 CYS C C 20 173.500 173.769 -0.269 1
1 251 . 7 1 1 A 23 23 CYS CA C 20 56.300 56.981 -0.681 1
1 252 . 7 1 1 A 23 23 CYS CB C 20 27.600 29.397 -1.797 1
1 253 . 7 1 1 A 23 23 CYS N N 20 120.700 121.498 -0.798 1
1 254 . 7 1 1 A 24 24 ALA H H 21 9.590 9.490 0.100 1
1 255 . 7 1 1 A 24 24 ALA HA H 21 4.580 5.120 -0.540 1
1 259 . 7 1 1 A 24 24 ALA C C 21 174.400 175.632 -1.232 1
1 260 . 7 1 1 A 24 24 ALA CA C 21 50.200 50.247 -0.047 1
1 261 . 7 1 1 A 24 24 ALA CB C 21 23.400 22.585 0.815 1
1 262 . 7 1 1 A 24 24 ALA N N 21 132.500 129.825 2.675 1
1 263 . 7 1 1 A 25 25 LEU H H 22 8.100 8.740 -0.640 1
1 264 . 7 1 1 A 25 25 LEU HA H 22 4.860 5.034 -0.174 1
1 274 . 7 1 1 A 25 25 LEU C C 22 175.800 175.099 0.701 1
1 275 . 7 1 1 A 25 25 LEU CA C 22 53.800 53.257 0.543 1
1 276 . 7 1 1 A 25 25 LEU CB C 22 43.600 45.105 -1.505 1
1 280 . 7 1 1 A 25 25 LEU N N 22 120.700 117.555 3.145 1
1 281 . 7 1 1 A 26 26 LEU H H 23 8.660 8.918 -0.258 1
1 282 . 7 1 1 A 26 26 LEU HA H 23 4.410 4.568 -0.158 1
1 292 . 7 1 1 A 26 26 LEU C C 23 176.600 176.728 -0.128 1
1 293 . 7 1 1 A 26 26 LEU CA C 23 53.100 53.317 -0.217 1
1 294 . 7 1 1 A 26 26 LEU CB C 23 43.400 43.218 0.182 1
1 298 . 7 1 1 A 26 26 LEU N N 23 125.800 125.900 -0.100 1
1 299 . 7 1 1 A 27 27 GLY H H 24 8.910 8.921 -0.011 1
1 300 . 7 1 1 A 27 27 GLY HA2 H 24 3.560 3.819 -0.259 1
1 301 . 7 1 1 A 27 27 GLY HA3 H 24 4.000 3.825 0.175 1
1 302 . 7 1 1 A 27 27 GLY C C 24 173.800 174.680 -0.880 1
1 303 . 7 1 1 A 27 27 GLY CA C 24 47.300 47.371 -0.071 1
1 304 . 7 1 1 A 27 27 GLY N N 24 118.300 116.095 2.205 1
1 305 . 7 1 1 A 28 28 ASP H H 25 8.800 8.895 -0.095 1
1 306 . 7 1 1 A 28 28 ASP HA H 25 4.690 4.644 0.046 1
1 309 . 7 1 1 A 28 28 ASP C C 25 176.100 176.020 0.080 1
1 310 . 7 1 1 A 28 28 ASP CA C 25 53.900 55.170 -1.270 1
1 311 . 7 1 1 A 28 28 ASP CB C 25 41.300 41.873 -0.573 1
1 312 . 7 1 1 A 28 28 ASP N N 25 126.600 126.457 0.143 1
1 313 . 7 1 1 A 29 29 GLU H H 26 8.100 7.402 0.698 1
1 314 . 7 1 1 A 29 29 GLU HA H 26 4.440 4.456 -0.016 1
1 319 . 7 1 1 A 29 29 GLU C C 26 174.800 176.097 -1.297 1
1 320 . 7 1 1 A 29 29 GLU CA C 26 55.800 55.735 0.065 1
1 321 . 7 1 1 A 29 29 GLU CB C 26 30.600 30.390 0.210 1
1 323 . 7 1 1 A 29 29 GLU N N 26 120.400 118.884 1.516 1
1 324 . 7 1 1 A 30 30 GLN H H 27 8.640 8.396 0.244 1
1 325 . 7 1 1 A 30 30 GLN HA H 27 4.510 4.500 0.010 1
1 332 . 7 1 1 A 30 30 GLN C C 27 175.800 175.479 0.321 1
1 333 . 7 1 1 A 30 30 GLN CA C 27 55.700 55.584 0.116 1
1 334 . 7 1 1 A 30 30 GLN CB C 27 29.300 29.322 -0.022 1
1 336 . 7 1 1 A 30 30 GLN N N 27 121.300 122.284 -0.984 1
1 338 . 7 1 1 A 31 31 VAL H H 28 9.280 8.937 0.343 1
1 339 . 7 1 1 A 31 31 VAL HA H 28 4.040 4.538 -0.498 1
1 347 . 7 1 1 A 31 31 VAL C C 28 172.900 174.494 -1.594 1
1 348 . 7 1 1 A 31 31 VAL CA C 28 61.900 60.431 1.469 1
1 349 . 7 1 1 A 31 31 VAL CB C 28 34.800 35.230 -0.430 1
1 352 . 7 1 1 A 31 31 VAL N N 28 128.600 122.717 5.883 1
1 353 . 7 1 1 A 32 32 ALA H H 29 9.440 9.212 0.228 1
1 354 . 7 1 1 A 32 32 ALA HA H 29 4.680 4.952 -0.272 1
1 358 . 7 1 1 A 32 32 ALA C C 29 175.200 176.114 -0.914 1
1 359 . 7 1 1 A 32 32 ALA CA C 29 50.500 50.986 -0.486 1
1 360 . 7 1 1 A 32 32 ALA CB C 29 20.200 19.981 0.219 1
1 361 . 7 1 1 A 32 32 ALA N N 29 130.400 129.637 0.763 1
1 362 . 7 1 1 A 33 33 ILE H H 30 8.590 8.909 -0.319 1
1 363 . 7 1 1 A 33 33 ILE HA H 30 4.680 4.694 -0.014 1
1 373 . 7 1 1 A 33 33 ILE C C 30 174.800 174.818 -0.018 1
1 374 . 7 1 1 A 33 33 ILE CA C 30 59.900 60.080 -0.180 1
1 375 . 7 1 1 A 33 33 ILE CB C 30 39.300 38.526 0.774 1
1 379 . 7 1 1 A 33 33 ILE N N 30 120.600 123.853 -3.253 1
1 380 . 7 1 1 A 34 34 PHE H H 31 9.430 9.614 -0.184 1
1 381 . 7 1 1 A 34 34 PHE HA H 31 5.070 5.307 -0.237 1
1 386 . 7 1 1 A 34 34 PHE C C 31 174.800 174.559 0.241 1
1 387 . 7 1 1 A 34 34 PHE CA C 31 57.200 56.577 0.623 1
1 388 . 7 1 1 A 34 34 PHE CB C 31 43.400 41.763 1.637 1
1 391 . 7 1 1 A 34 34 PHE N N 31 121.800 126.411 -4.611 1
1 392 . 7 1 1 A 35 35 ARG H H 32 8.450 9.267 -0.817 1
1 393 . 7 1 1 A 35 35 ARG HA H 32 5.470 4.884 0.586 1
1 403 . 7 1 1 A 35 35 ARG CA C 32 52.000 52.576 -0.576 1
1 404 . 7 1 1 A 35 35 ARG CB C 32 33.200 31.438 1.762 1
1 407 . 7 1 1 A 35 35 ARG N N 32 123.000 124.574 -1.574 1
1 410 . 7 1 1 A 36 36 PRO HA H 33 3.910 4.502 -0.592 1
1 417 . 7 1 1 A 36 36 PRO C C 33 174.300 175.511 -1.211 1
1 418 . 7 1 1 A 36 36 PRO CA C 33 64.600 64.025 0.575 1
1 419 . 7 1 1 A 36 36 PRO CB C 33 32.800 31.746 1.054 1
1 422 . 7 1 1 A 37 37 TYR H H 34 9.000 7.714 1.286 1
1 423 . 7 1 1 A 37 37 TYR HA H 34 5.250 5.013 0.237 1
1 430 . 7 1 1 A 37 37 TYR C C 34 175.000 175.438 -0.438 1
1 431 . 7 1 1 A 37 37 TYR CA C 34 54.200 56.819 -2.619 1
1 432 . 7 1 1 A 37 37 TYR CB C 34 41.000 41.183 -0.183 1
1 437 . 7 1 1 A 37 37 TYR N N 34 115.500 118.258 -2.758 1
1 438 . 7 1 1 A 38 38 HIS H H 35 8.700 8.481 0.219 1
1 439 . 7 1 1 A 38 38 HIS HA H 35 4.490 4.600 -0.110 1
1 444 . 7 1 1 A 38 38 HIS C C 35 175.800 175.676 0.124 1
1 445 . 7 1 1 A 38 38 HIS CA C 35 56.400 55.557 0.843 1
1 446 . 7 1 1 A 38 38 HIS CB C 35 28.600 29.195 -0.595 1
1 449 . 7 1 1 A 38 38 HIS N N 35 119.000 122.106 -3.106 1
1 450 . 7 1 1 A 39 39 SER H H 36 7.890 8.504 -0.614 1
1 451 . 7 1 1 A 39 39 SER HA H 36 4.770 4.648 0.122 1
1 454 . 7 1 1 A 39 39 SER C C 36 173.800 174.254 -0.454 1
1 455 . 7 1 1 A 39 39 SER CA C 36 57.000 58.230 -1.230 1
1 456 . 7 1 1 A 39 39 SER CB C 36 64.700 64.031 0.669 1
1 457 . 7 1 1 A 39 39 SER N N 36 115.500 112.300 3.200 1
1 458 . 7 1 1 A 40 40 ASP H H 37 8.540 8.467 0.073 1
1 459 . 7 1 1 A 40 40 ASP HA H 37 4.540 4.765 -0.225 1
1 462 . 7 1 1 A 40 40 ASP C C 37 174.700 176.271 -1.571 1
1 463 . 7 1 1 A 40 40 ASP CA C 37 53.800 54.858 -1.058 1
1 464 . 7 1 1 A 40 40 ASP CB C 37 39.600 43.590 -3.990 1
1 465 . 7 1 1 A 40 40 ASP N N 37 119.400 119.590 -0.190 1
1 466 . 7 1 1 A 41 41 GLN H H 38 7.490 7.899 -0.409 1
1 467 . 7 1 1 A 41 41 GLN HA H 38 4.140 4.188 -0.048 1
1 474 . 7 1 1 A 41 41 GLN C C 38 175.500 175.429 0.071 1
1 475 . 7 1 1 A 41 41 GLN CA C 38 57.100 56.096 1.004 1
1 476 . 7 1 1 A 41 41 GLN CB C 38 29.400 29.450 -0.050 1
1 479 . 7 1 1 A 41 41 GLN N N 38 118.700 118.573 0.127 1
1 481 . 7 1 1 A 42 42 VAL H H 39 7.800 8.732 -0.932 1
1 482 . 7 1 1 A 42 42 VAL HA H 39 5.600 5.149 0.451 1
1 490 . 7 1 1 A 42 42 VAL C C 39 174.200 174.284 -0.084 1
1 491 . 7 1 1 A 42 42 VAL CA C 39 58.200 59.453 -1.253 1
1 492 . 7 1 1 A 42 42 VAL CB C 39 36.500 35.717 0.783 1
1 495 . 7 1 1 A 42 42 VAL N N 39 116.100 118.661 -2.561 1
1 496 . 7 1 1 A 43 43 PHE H H 40 8.480 9.465 -0.985 1
1 497 . 7 1 1 A 43 43 PHE HA H 40 4.870 5.370 -0.500 1
1 504 . 7 1 1 A 43 43 PHE C C 40 173.900 174.423 -0.523 1
1 505 . 7 1 1 A 43 43 PHE CA C 40 56.800 56.427 0.373 1
1 506 . 7 1 1 A 43 43 PHE CB C 40 45.300 43.346 1.954 1
1 511 . 7 1 1 A 43 43 PHE N N 40 117.200 120.937 -3.737 1
1 512 . 7 1 1 A 44 44 ALA H H 41 9.520 8.731 0.789 1
1 513 . 7 1 1 A 44 44 ALA HA H 41 6.200 6.038 0.162 1
1 517 . 7 1 1 A 44 44 ALA C C 41 176.300 176.375 -0.075 1
1 518 . 7 1 1 A 44 44 ALA CA C 41 50.900 50.242 0.658 1
1 519 . 7 1 1 A 44 44 ALA CB C 41 24.100 22.622 1.478 1
1 520 . 7 1 1 A 44 44 ALA N N 41 125.100 123.276 1.824 1
1 521 . 7 1 1 A 45 45 ILE H H 42 8.970 9.367 -0.397 1
1 522 . 7 1 1 A 45 45 ILE HA H 42 5.580 5.588 -0.008 1
1 532 . 7 1 1 A 45 45 ILE C C 42 174.600 175.085 -0.485 1
1 533 . 7 1 1 A 45 45 ILE CA C 42 59.300 58.836 0.464 1
1 534 . 7 1 1 A 45 45 ILE CB C 42 44.300 42.189 2.111 1
1 538 . 7 1 1 A 45 45 ILE N N 42 117.100 118.521 -1.421 1
1 539 . 7 1 1 A 46 46 SER H H 43 8.460 8.741 -0.281 1
1 540 . 7 1 1 A 46 46 SER HA H 43 4.350 4.704 -0.354 1
1 543 . 7 1 1 A 46 46 SER C C 43 172.100 174.542 -2.442 1
1 544 . 7 1 1 A 46 46 SER CA C 43 59.500 59.253 0.247 1
1 545 . 7 1 1 A 46 46 SER CB C 43 64.900 63.455 1.445 1
1 546 . 7 1 1 A 46 46 SER N N 43 112.400 118.849 -6.449 1
1 547 . 7 1 1 A 47 47 ASN H H 44 7.990 8.742 -0.752 1
1 548 . 7 1 1 A 47 47 ASN HA H 44 4.940 4.711 0.229 1
1 553 . 7 1 1 A 47 47 ASN C C 44 175.800 175.535 0.265 1
1 554 . 7 1 1 A 47 47 ASN CA C 44 53.800 56.267 -2.467 1
1 555 . 7 1 1 A 47 47 ASN CB C 44 40.600 40.296 0.304 1
1 556 . 7 1 1 A 47 47 ASN N N 44 117.800 122.045 -4.245 1
1 558 . 7 1 1 A 48 48 ILE H H 45 8.190 8.183 0.007 1
1 559 . 7 1 1 A 48 48 ILE HA H 45 4.100 4.483 -0.383 1
1 569 . 7 1 1 A 48 48 ILE C C 45 175.200 175.357 -0.157 1
1 570 . 7 1 1 A 48 48 ILE CA C 45 59.400 60.260 -0.860 1
1 571 . 7 1 1 A 48 48 ILE CB C 45 36.500 39.354 -2.854 1
1 575 . 7 1 1 A 48 48 ILE N N 45 118.300 118.671 -0.371 1
1 576 . 7 1 1 A 49 49 ASP H H 46 8.720 8.893 -0.173 1
1 577 . 7 1 1 A 49 49 ASP HA H 46 4.530 4.756 -0.226 1
1 580 . 7 1 1 A 49 49 ASP CA C 46 51.400 52.554 -1.154 1
1 581 . 7 1 1 A 49 49 ASP CB C 46 42.900 41.326 1.574 1
1 582 . 7 1 1 A 49 49 ASP N N 46 128.600 125.754 2.846 1
1 583 . 7 1 1 A 50 50 PRO HA H 47 4.500 4.394 0.106 1
1 590 . 7 1 1 A 50 50 PRO C C 47 177.800 178.027 -0.227 1
1 591 . 7 1 1 A 50 50 PRO CA C 47 63.700 65.760 -2.060 1
1 592 . 7 1 1 A 50 50 PRO CB C 47 32.200 31.788 0.412 1
1 595 . 7 1 1 A 51 51 PHE H H 48 9.270 8.054 1.216 1
1 596 . 7 1 1 A 51 51 PHE HA H 48 3.980 4.344 -0.364 1
1 601 . 7 1 1 A 51 51 PHE C C 48 177.100 177.060 0.040 1
1 602 . 7 1 1 A 51 51 PHE CA C 48 61.400 59.880 1.520 1
1 603 . 7 1 1 A 51 51 PHE CB C 48 37.900 39.397 -1.497 1
1 606 . 7 1 1 A 51 51 PHE N N 48 121.800 118.289 3.511 1
1 607 . 7 1 1 A 52 52 PHE H H 49 7.440 8.081 -0.641 1
1 608 . 7 1 1 A 52 52 PHE HA H 49 4.560 4.477 0.083 1
1 616 . 7 1 1 A 52 52 PHE C C 49 176.100 175.529 0.571 1
1 617 . 7 1 1 A 52 52 PHE CA C 49 58.300 59.832 -1.532 1
1 618 . 7 1 1 A 52 52 PHE CB C 49 42.000 40.742 1.258 1
1 624 . 7 1 1 A 52 52 PHE N N 49 114.500 118.917 -4.417 1
1 625 . 7 1 1 A 53 53 GLU H H 50 8.590 8.312 0.278 1
1 626 . 7 1 1 A 53 53 GLU HA H 50 3.780 4.164 -0.384 1
1 631 . 7 1 1 A 53 53 GLU C C 50 175.000 175.189 -0.189 1
1 632 . 7 1 1 A 53 53 GLU CA C 50 57.300 57.231 0.069 1
1 633 . 7 1 1 A 53 53 GLU CB C 50 27.100 28.000 -0.900 1
1 635 . 7 1 1 A 53 53 GLU N N 50 120.300 119.259 1.041 1
1 636 . 7 1 1 A 54 54 SER H H 51 7.100 8.071 -0.971 1
1 637 . 7 1 1 A 54 54 SER HA H 51 4.910 5.088 -0.178 1
1 640 . 7 1 1 A 54 54 SER CA C 51 56.500 56.769 -0.269 1
1 641 . 7 1 1 A 54 54 SER CB C 51 66.100 66.629 -0.529 1
1 642 . 7 1 1 A 54 54 SER N N 51 110.300 116.209 -5.909 1
1 643 . 7 1 1 A 55 55 SER HA H 52 4.550 4.823 -0.273 1
1 646 . 7 1 1 A 55 55 SER C C 52 173.500 173.838 -0.338 1
1 647 . 7 1 1 A 55 55 SER CA C 52 56.700 57.119 -0.419 1
1 648 . 7 1 1 A 55 55 SER CB C 52 62.100 65.426 -3.326 1
1 649 . 7 1 1 A 56 56 VAL H H 53 7.590 8.283 -0.693 1
1 650 . 7 1 1 A 56 56 VAL HA H 53 4.900 4.417 0.483 1
1 658 . 7 1 1 A 56 56 VAL C C 53 176.800 176.567 0.233 1
1 659 . 7 1 1 A 56 56 VAL CA C 53 61.300 62.167 -0.867 1
1 660 . 7 1 1 A 56 56 VAL CB C 53 36.200 32.153 4.047 1
1 663 . 7 1 1 A 56 56 VAL N N 53 117.400 120.000 -2.600 1
1 664 . 7 1 1 A 57 57 LEU H H 54 8.690 8.844 -0.154 1
1 665 . 7 1 1 A 57 57 LEU HA H 54 3.930 4.289 -0.359 1
1 675 . 7 1 1 A 57 57 LEU C C 54 179.500 178.806 0.694 1
1 676 . 7 1 1 A 57 57 LEU CA C 54 60.000 56.786 3.214 1
1 677 . 7 1 1 A 57 57 LEU CB C 54 40.800 41.596 -0.796 1
1 681 . 7 1 1 A 57 57 LEU N N 54 121.100 126.889 -5.789 1
1 682 . 7 1 1 A 58 58 SER H H 55 9.750 8.220 1.530 1
1 683 . 7 1 1 A 58 58 SER HA H 55 3.800 4.232 -0.432 1
1 686 . 7 1 1 A 58 58 SER C C 55 174.100 175.220 -1.120 1
1 687 . 7 1 1 A 58 58 SER CA C 55 61.600 61.875 -0.275 1
1 688 . 7 1 1 A 58 58 SER CB C 55 61.900 62.958 -1.058 1
1 689 . 7 1 1 A 58 58 SER N N 55 113.400 115.078 -1.678 1
1 690 . 7 1 1 A 59 59 ARG H H 56 7.510 7.179 0.331 1
1 691 . 7 1 1 A 59 59 ARG HA H 56 4.560 4.545 0.015 1
1 698 . 7 1 1 A 59 59 ARG C C 56 177.500 175.282 2.218 1
1 699 . 7 1 1 A 59 59 ARG CA C 56 55.400 55.087 0.313 1
1 700 . 7 1 1 A 59 59 ARG CB C 56 30.400 30.043 0.357 1
1 703 . 7 1 1 A 59 59 ARG N N 56 118.400 119.435 -1.035 1
1 704 . 7 1 1 A 60 60 GLY H H 57 8.550 7.944 0.606 1
1 705 . 7 1 1 A 60 60 GLY HA2 H 57 4.020 4.331 -0.311 1
1 706 . 7 1 1 A 60 60 GLY HA3 H 57 4.020 4.356 -0.336 1
1 707 . 7 1 1 A 60 60 GLY C C 57 171.200 171.814 -0.614 1
1 708 . 7 1 1 A 60 60 GLY CA C 57 45.400 44.330 1.070 1
1 709 . 7 1 1 A 60 60 GLY N N 57 108.600 109.280 -0.680 1
1 710 . 7 1 1 A 61 61 LEU H H 58 7.740 8.942 -1.202 1
1 711 . 7 1 1 A 61 61 LEU HA H 58 4.640 5.027 -0.387 1
1 721 . 7 1 1 A 61 61 LEU C C 58 177.000 176.476 0.524 1
1 722 . 7 1 1 A 61 61 LEU CA C 58 54.200 53.851 0.349 1
1 723 . 7 1 1 A 61 61 LEU CB C 58 43.700 43.006 0.694 1
1 727 . 7 1 1 A 61 61 LEU N N 58 119.100 121.805 -2.705 1
1 728 . 7 1 1 A 62 62 ILE H H 59 8.780 8.640 0.140 1
1 729 . 7 1 1 A 62 62 ILE HA H 59 4.660 4.444 0.216 1
1 739 . 7 1 1 A 62 62 ILE C C 59 175.500 175.833 -0.333 1
1 740 . 7 1 1 A 62 62 ILE CA C 59 60.600 61.793 -1.193 1
1 741 . 7 1 1 A 62 62 ILE CB C 59 38.700 37.256 1.444 1
1 745 . 7 1 1 A 62 62 ILE N N 59 126.500 125.051 1.449 1
1 746 . 7 1 1 A 63 63 ALA H H 60 9.110 9.431 -0.321 1
1 747 . 7 1 1 A 63 63 ALA HA H 60 4.590 5.030 -0.440 1
1 751 . 7 1 1 A 63 63 ALA C C 60 175.000 174.846 0.154 1
1 752 . 7 1 1 A 63 63 ALA CA C 60 51.300 51.001 0.299 1
1 753 . 7 1 1 A 63 63 ALA CB C 60 23.100 23.679 -0.579 1
1 754 . 7 1 1 A 63 63 ALA N N 60 129.300 129.385 -0.085 1
1 755 . 7 1 1 A 64 64 GLU H H 61 8.460 8.712 -0.252 1
1 756 . 7 1 1 A 64 64 GLU HA H 61 5.070 5.329 -0.259 1
1 761 . 7 1 1 A 64 64 GLU C C 61 176.000 176.282 -0.282 1
1 762 . 7 1 1 A 64 64 GLU CA C 61 55.100 54.732 0.368 1
1 763 . 7 1 1 A 64 64 GLU CB C 61 31.200 32.820 -1.620 1
1 765 . 7 1 1 A 64 64 GLU N N 61 121.500 119.305 2.195 1
1 766 . 7 1 1 A 65 65 HIS H H 62 9.310 8.504 0.806 1
1 767 . 7 1 1 A 65 65 HIS HA H 62 4.740 4.455 0.285 1
1 772 . 7 1 1 A 65 65 HIS CA C 62 56.400 57.543 -1.143 1
1 773 . 7 1 1 A 65 65 HIS CB C 62 32.600 31.496 1.104 1
1 776 . 7 1 1 A 65 65 HIS N N 62 123.500 126.285 -2.785 1
1 777 . 7 1 1 A 66 66 GLN HA H 63 3.870 4.350 -0.480 1
1 784 . 7 1 1 A 66 66 GLN C C 63 176.000 176.094 -0.094 1
1 785 . 7 1 1 A 66 66 GLN CA C 63 56.600 54.953 1.647 1
1 786 . 7 1 1 A 66 66 GLN CB C 63 26.800 28.776 -1.976 1
1 790 . 7 1 1 A 67 67 GLY H H 64 8.970 7.814 1.156 1
1 791 . 7 1 1 A 67 67 GLY HA2 H 64 3.680 3.952 -0.272 1
1 792 . 7 1 1 A 67 67 GLY HA3 H 64 4.140 3.958 0.182 1
1 793 . 7 1 1 A 67 67 GLY C C 64 173.800 173.853 -0.053 1
1 794 . 7 1 1 A 67 67 GLY CA C 64 45.600 45.194 0.406 1
1 795 . 7 1 1 A 67 67 GLY N N 64 104.200 108.910 -4.710 1
1 796 . 7 1 1 A 68 68 GLU H H 65 7.850 7.989 -0.139 1
1 797 . 7 1 1 A 68 68 GLU HA H 65 4.810 4.616 0.194 1
1 802 . 7 1 1 A 68 68 GLU C C 65 174.400 176.006 -1.606 1
1 803 . 7 1 1 A 68 68 GLU CA C 65 54.100 55.862 -1.762 1
1 804 . 7 1 1 A 68 68 GLU CB C 65 34.000 31.205 2.795 1
1 806 . 7 1 1 A 68 68 GLU N N 65 118.800 120.779 -1.979 1
1 807 . 7 1 1 A 69 69 LEU H H 66 8.030 8.586 -0.556 1
1 808 . 7 1 1 A 69 69 LEU HA H 66 4.920 5.090 -0.170 1
1 818 . 7 1 1 A 69 69 LEU C C 66 177.100 175.623 1.477 1
1 819 . 7 1 1 A 69 69 LEU CA C 66 54.300 53.960 0.340 1
1 820 . 7 1 1 A 69 69 LEU CB C 66 44.500 41.375 3.125 1
1 824 . 7 1 1 A 69 69 LEU N N 66 119.000 122.925 -3.925 1
1 825 . 7 1 1 A 70 70 TRP H H 67 8.980 9.340 -0.360 1
1 826 . 7 1 1 A 70 70 TRP HA H 67 5.140 5.337 -0.197 1
1 835 . 7 1 1 A 70 70 TRP C C 67 174.400 175.253 -0.853 1
1 836 . 7 1 1 A 70 70 TRP CA C 67 55.100 55.739 -0.639 1
1 837 . 7 1 1 A 70 70 TRP CB C 67 31.800 31.896 -0.096 1
1 843 . 7 1 1 A 70 70 TRP N N 67 122.200 125.436 -3.236 1
1 845 . 7 1 1 A 71 71 VAL H H 68 9.490 9.285 0.205 1
1 846 . 7 1 1 A 71 71 VAL HA H 68 4.990 4.616 0.374 1
1 854 . 7 1 1 A 71 71 VAL C C 68 173.000 174.305 -1.305 1
1 855 . 7 1 1 A 71 71 VAL CA C 68 58.500 60.220 -1.720 1
1 856 . 7 1 1 A 71 71 VAL CB C 68 34.300 33.273 1.027 1
1 859 . 7 1 1 A 71 71 VAL N N 68 120.900 122.858 -1.958 1
1 860 . 7 1 1 A 72 72 ALA H H 69 8.550 9.294 -0.744 1
1 861 . 7 1 1 A 72 72 ALA HA H 69 5.280 4.881 0.399 1
1 865 . 7 1 1 A 72 72 ALA C C 69 178.000 176.300 1.700 1
1 866 . 7 1 1 A 72 72 ALA CA C 69 49.200 50.778 -1.578 1
1 867 . 7 1 1 A 72 72 ALA CB C 69 19.700 19.902 -0.202 1
1 868 . 7 1 1 A 72 72 ALA N N 69 130.000 132.362 -2.362 1
1 869 . 7 1 1 A 73 73 SER H H 70 9.470 9.006 0.464 1
1 870 . 7 1 1 A 73 73 SER HA H 70 4.540 4.616 -0.076 1
1 873 . 7 1 1 A 73 73 SER CA C 70 55.700 56.967 -1.267 1
1 874 . 7 1 1 A 73 73 SER CB C 70 64.400 63.041 1.359 1
1 875 . 7 1 1 A 73 73 SER N N 70 118.100 122.557 -4.457 1
1 876 . 7 1 1 A 74 74 PRO HA H 71 4.540 4.461 0.079 1
1 883 . 7 1 1 A 74 74 PRO C C 71 176.700 176.368 0.332 1
1 884 . 7 1 1 A 74 74 PRO CA C 71 64.000 64.930 -0.930 1
1 885 . 7 1 1 A 74 74 PRO CB C 71 32.300 32.026 0.274 1
1 888 . 7 1 1 A 75 75 LEU H H 72 7.850 7.634 0.216 1
1 889 . 7 1 1 A 75 75 LEU HA H 72 4.330 4.346 -0.016 1
1 899 . 7 1 1 A 75 75 LEU CA C 72 56.200 54.511 1.689 1
1 900 . 7 1 1 A 75 75 LEU CB C 72 38.500 41.448 -2.948 1
1 904 . 7 1 1 A 75 75 LEU N N 72 119.300 119.152 0.148 1
1 905 . 7 1 1 A 76 76 LYS HA H 73 4.470 4.034 0.436 1
1 914 . 7 1 1 A 76 76 LYS C C 73 176.600 175.524 1.076 1
1 915 . 7 1 1 A 76 76 LYS CA C 73 54.600 57.647 -3.047 1
1 916 . 7 1 1 A 76 76 LYS CB C 73 31.700 31.768 -0.068 1
1 920 . 7 1 1 A 77 77 LYS H H 74 7.240 8.379 -1.139 1
1 921 . 7 1 1 A 77 77 LYS HA H 74 4.440 4.050 0.390 1
1 930 . 7 1 1 A 77 77 LYS C C 74 175.500 175.253 0.247 1
1 931 . 7 1 1 A 77 77 LYS CA C 74 57.800 57.516 0.284 1
1 932 . 7 1 1 A 77 77 LYS CB C 74 28.600 29.110 -0.510 1
1 936 . 7 1 1 A 77 77 LYS N N 74 110.900 114.643 -3.743 1
1 937 . 7 1 1 A 78 78 GLN H H 75 8.080 7.375 0.705 1
1 938 . 7 1 1 A 78 78 GLN HA H 75 4.030 4.295 -0.265 1
1 945 . 7 1 1 A 78 78 GLN C C 75 174.500 175.129 -0.629 1
1 946 . 7 1 1 A 78 78 GLN CA C 75 58.400 55.652 2.748 1
1 947 . 7 1 1 A 78 78 GLN CB C 75 27.400 29.548 -2.148 1
1 949 . 7 1 1 A 78 78 GLN N N 75 119.100 117.569 1.531 1
1 951 . 7 1 1 A 79 79 ARG H H 76 9.800 8.283 1.517 1
1 952 . 7 1 1 A 79 79 ARG HA H 76 5.310 5.306 0.004 1
1 960 . 7 1 1 A 79 79 ARG C C 76 175.800 175.163 0.637 1
1 961 . 7 1 1 A 79 79 ARG CA C 76 55.300 54.652 0.648 1
1 962 . 7 1 1 A 79 79 ARG CB C 76 33.100 32.393 0.707 1
1 965 . 7 1 1 A 79 79 ARG N N 76 122.800 122.263 0.537 1
1 967 . 7 1 1 A 80 80 PHE H H 77 9.220 9.305 -0.085 1
1 968 . 7 1 1 A 80 80 PHE HA H 77 5.630 4.985 0.645 1
1 976 . 7 1 1 A 80 80 PHE C C 77 175.300 174.378 0.922 1
1 977 . 7 1 1 A 80 80 PHE CA C 77 55.800 56.398 -0.598 1
1 978 . 7 1 1 A 80 80 PHE CB C 77 41.300 42.118 -0.818 1
1 984 . 7 1 1 A 80 80 PHE N N 77 119.400 122.545 -3.145 1
1 985 . 7 1 1 A 81 81 ARG H H 78 9.870 8.769 1.101 1
1 986 . 7 1 1 A 81 81 ARG HA H 78 3.490 3.677 -0.187 1
1 996 . 7 1 1 A 81 81 ARG C C 78 177.400 176.169 1.231 1
1 997 . 7 1 1 A 81 81 ARG CA C 78 58.100 54.717 3.383 1
1 998 . 7 1 1 A 81 81 ARG CB C 78 30.500 28.891 1.609 1
1 1001 . 7 1 1 A 81 81 ARG N N 78 130.100 124.276 5.824 1
1 1004 . 7 1 1 A 82 82 LEU H H 79 7.860 7.998 -0.138 1
1 1005 . 7 1 1 A 82 82 LEU HA H 79 3.790 3.829 -0.039 1
1 1015 . 7 1 1 A 82 82 LEU C C 79 177.500 178.355 -0.855 1
1 1016 . 7 1 1 A 82 82 LEU CA C 79 57.600 57.069 0.531 1
1 1017 . 7 1 1 A 82 82 LEU CB C 79 39.600 41.553 -1.953 1
1 1021 . 7 1 1 A 82 82 LEU N N 79 125.300 124.722 0.578 1
1 1022 . 7 1 1 A 83 83 SER H H 80 8.000 7.646 0.354 1
1 1023 . 7 1 1 A 83 83 SER HA H 80 4.200 2.701 1.499 1
1 1026 . 7 1 1 A 83 83 SER C C 80 176.600 175.234 1.366 1
1 1027 . 7 1 1 A 83 83 SER CA C 80 60.100 60.771 -0.671 1
1 1028 . 7 1 1 A 83 83 SER CB C 80 62.500 62.810 -0.310 1
1 1029 . 7 1 1 A 83 83 SER N N 80 109.700 116.531 -6.831 1
1 1030 . 7 1 1 A 84 84 ASP H H 81 7.100 7.048 0.052 1
1 1031 . 7 1 1 A 84 84 ASP HA H 81 4.090 4.588 -0.498 1
1 1034 . 7 1 1 A 84 84 ASP C C 81 175.900 176.483 -0.583 1
1 1035 . 7 1 1 A 84 84 ASP CA C 81 53.500 52.959 0.541 1
1 1036 . 7 1 1 A 84 84 ASP CB C 81 41.900 42.782 -0.882 1
1 1037 . 7 1 1 A 84 84 ASP N N 81 117.300 115.376 1.924 1
1 1038 . 7 1 1 A 85 85 GLY H H 82 8.860 7.706 1.154 1
1 1039 . 7 1 1 A 85 85 GLY HA2 H 82 3.590 3.928 -0.338 1
1 1040 . 7 1 1 A 85 85 GLY HA3 H 82 4.810 3.993 0.817 1
1 1041 . 7 1 1 A 85 85 GLY C C 82 173.700 174.369 -0.669 1
1 1042 . 7 1 1 A 85 85 GLY CA C 82 45.900 44.728 1.172 1
1 1043 . 7 1 1 A 85 85 GLY N N 82 111.300 108.526 2.774 1
1 1044 . 7 1 1 A 86 86 LEU H H 83 7.430 7.622 -0.192 1
1 1045 . 7 1 1 A 86 86 LEU HA H 83 4.290 4.191 0.099 1
1 1055 . 7 1 1 A 86 86 LEU C C 83 176.600 175.510 1.090 1
1 1056 . 7 1 1 A 86 86 LEU CA C 83 56.200 55.504 0.696 1
1 1057 . 7 1 1 A 86 86 LEU CB C 83 43.100 42.660 0.440 1
1 1061 . 7 1 1 A 86 86 LEU N N 83 120.800 122.654 -1.854 1
1 1062 . 7 1 1 A 87 87 CYS H H 84 8.080 8.324 -0.244 1
1 1063 . 7 1 1 A 87 87 CYS HA H 84 5.290 4.994 0.296 1
1 1066 . 7 1 1 A 87 87 CYS C C 84 175.300 175.077 0.223 1
1 1067 . 7 1 1 A 87 87 CYS CA C 84 56.600 57.264 -0.664 1
1 1068 . 7 1 1 A 87 87 CYS CB C 84 27.800 29.406 -1.606 1
1 1069 . 7 1 1 A 87 87 CYS N N 84 126.300 125.237 1.063 1
1 1070 . 7 1 1 A 88 88 MET H H 85 8.760 8.820 -0.060 1
1 1071 . 7 1 1 A 88 88 MET HA H 85 3.630 4.303 -0.673 1
1 1079 . 7 1 1 A 88 88 MET C C 85 177.500 177.626 -0.126 1
1 1080 . 7 1 1 A 88 88 MET CA C 85 58.800 58.162 0.638 1
1 1081 . 7 1 1 A 88 88 MET CB C 85 33.800 32.299 1.501 1
1 1084 . 7 1 1 A 88 88 MET N N 85 130.500 126.034 4.466 1
1 1085 . 7 1 1 A 89 89 GLU H H 86 9.160 7.725 1.435 1
1 1086 . 7 1 1 A 89 89 GLU HA H 86 3.770 3.998 -0.228 1
1 1091 . 7 1 1 A 89 89 GLU C C 86 177.500 177.751 -0.251 1
1 1092 . 7 1 1 A 89 89 GLU CA C 86 60.900 58.833 2.067 1
1 1093 . 7 1 1 A 89 89 GLU CB C 86 29.300 29.378 -0.078 1
1 1095 . 7 1 1 A 89 89 GLU N N 86 119.200 119.567 -0.367 1
1 1096 . 7 1 1 A 90 90 ASP H H 87 7.080 8.021 -0.941 1
1 1097 . 7 1 1 A 90 90 ASP HA H 87 4.590 4.691 -0.101 1
1 1100 . 7 1 1 A 90 90 ASP CA C 87 54.700 54.709 -0.009 1
1 1101 . 7 1 1 A 90 90 ASP CB C 87 41.800 41.084 0.716 1
1 1102 . 7 1 1 A 90 90 ASP N N 87 115.800 118.799 -2.999 1
1 1103 . 7 1 1 A 91 91 GLU H H 88 9.340 7.830 1.510 1
1 1104 . 7 1 1 A 91 91 GLU HA H 88 4.290 4.064 0.226 1
1 1109 . 7 1 1 A 91 91 GLU C C 88 178.900 178.457 0.443 1
1 1110 . 7 1 1 A 91 91 GLU CA C 88 59.000 59.586 -0.586 1
1 1111 . 7 1 1 A 91 91 GLU CB C 88 29.100 29.263 -0.163 1
1 1113 . 7 1 1 A 91 91 GLU N N 88 127.400 121.172 6.228 1
1 1114 . 7 1 1 A 92 92 GLN H H 89 8.920 7.664 1.256 1
1 1115 . 7 1 1 A 92 92 GLN HA H 89 4.170 3.937 0.233 1
1 1122 . 7 1 1 A 92 92 GLN C C 89 176.600 175.922 0.678 1
1 1123 . 7 1 1 A 92 92 GLN CA C 89 57.800 58.630 -0.830 1
1 1124 . 7 1 1 A 92 92 GLN CB C 89 28.400 28.909 -0.509 1
1 1127 . 7 1 1 A 92 92 GLN N N 89 120.400 118.574 1.826 1
1 1129 . 7 1 1 A 93 93 PHE H H 90 8.150 8.052 0.098 1
1 1130 . 7 1 1 A 93 93 PHE HA H 90 4.430 4.791 -0.361 1
1 1138 . 7 1 1 A 93 93 PHE C C 90 172.600 174.107 -1.507 1
1 1139 . 7 1 1 A 93 93 PHE CA C 90 57.800 55.696 2.104 1
1 1140 . 7 1 1 A 93 93 PHE CB C 90 39.300 38.767 0.533 1
1 1146 . 7 1 1 A 93 93 PHE N N 90 119.700 115.060 4.640 1
1 1147 . 7 1 1 A 94 94 SER H H 91 7.020 8.368 -1.348 1
1 1148 . 7 1 1 A 94 94 SER HA H 91 4.870 4.773 0.097 1
1 1152 . 7 1 1 A 94 94 SER C C 91 174.100 174.502 -0.402 1
1 1153 . 7 1 1 A 94 94 SER CA C 91 60.900 59.296 1.604 1
1 1154 . 7 1 1 A 94 94 SER CB C 91 63.600 64.104 -0.504 1
1 1155 . 7 1 1 A 94 94 SER N N 91 112.700 117.830 -5.130 1
1 1156 . 7 1 1 A 95 95 VAL H H 92 9.120 7.988 1.132 1
1 1157 . 7 1 1 A 95 95 VAL HA H 92 4.810 4.589 0.221 1
1 1165 . 7 1 1 A 95 95 VAL C C 92 175.700 175.648 0.052 1
1 1166 . 7 1 1 A 95 95 VAL CA C 92 59.200 60.748 -1.548 1
1 1167 . 7 1 1 A 95 95 VAL CB C 92 35.700 33.650 2.050 1
1 1170 . 7 1 1 A 95 95 VAL N N 92 116.900 119.150 -2.250 1
1 1171 . 7 1 1 A 96 96 LYS H H 93 8.390 8.221 0.169 1
1 1172 . 7 1 1 A 96 96 LYS HA H 93 4.010 4.370 -0.360 1
1 1181 . 7 1 1 A 96 96 LYS C C 93 174.800 175.089 -0.289 1
1 1182 . 7 1 1 A 96 96 LYS CA C 93 57.700 55.816 1.884 1
1 1183 . 7 1 1 A 96 96 LYS CB C 93 34.000 32.831 1.169 1
1 1187 . 7 1 1 A 96 96 LYS N N 93 120.300 121.139 -0.839 1
1 1188 . 7 1 1 A 97 97 HIS H H 94 8.030 8.659 -0.629 1
1 1189 . 7 1 1 A 97 97 HIS HA H 94 5.060 5.117 -0.057 1
1 1194 . 7 1 1 A 97 97 HIS C C 94 172.600 173.190 -0.590 1
1 1195 . 7 1 1 A 97 97 HIS CA C 94 54.700 54.276 0.424 1
1 1196 . 7 1 1 A 97 97 HIS CB C 94 31.400 31.025 0.375 1
1 1199 . 7 1 1 A 97 97 HIS N N 94 121.000 124.399 -3.399 1
1 1200 . 7 1 1 A 98 98 TYR H H 95 7.610 9.108 -1.498 1
1 1201 . 7 1 1 A 98 98 TYR HA H 95 4.410 4.694 -0.284 1
1 1208 . 7 1 1 A 98 98 TYR C C 95 173.600 175.938 -2.338 1
1 1209 . 7 1 1 A 98 98 TYR CA C 95 56.400 57.135 -0.735 1
1 1210 . 7 1 1 A 98 98 TYR CB C 95 40.900 40.499 0.401 1
1 1215 . 7 1 1 A 98 98 TYR N N 95 121.800 126.762 -4.962 1
1 1216 . 7 1 1 A 99 99 GLU H H 96 8.480 8.467 0.013 1
1 1217 . 7 1 1 A 99 99 GLU HA H 96 4.420 4.675 -0.255 1
1 1222 . 7 1 1 A 99 99 GLU C C 96 174.300 176.821 -2.521 1
1 1223 . 7 1 1 A 99 99 GLU CA C 96 56.600 57.043 -0.443 1
1 1224 . 7 1 1 A 99 99 GLU CB C 96 30.700 30.360 0.340 1
1 1226 . 7 1 1 A 99 99 GLU N N 96 122.200 122.362 -0.162 1
1 1227 . 7 1 1 A 100 100 ALA H H 97 8.420 8.729 -0.309 1
1 1228 . 7 1 1 A 100 100 ALA HA H 97 5.940 5.912 0.028 1
1 1232 . 7 1 1 A 100 100 ALA C C 97 176.100 175.736 0.364 1
1 1233 . 7 1 1 A 100 100 ALA CA C 97 50.400 50.570 -0.170 1
1 1234 . 7 1 1 A 100 100 ALA CB C 97 23.700 23.031 0.669 1
1 1235 . 7 1 1 A 100 100 ALA N N 97 124.100 126.014 -1.914 1
1 1236 . 7 1 1 A 101 101 ARG H H 98 9.000 8.847 0.153 1
1 1237 . 7 1 1 A 101 101 ARG HA H 98 4.640 5.061 -0.421 1
1 1245 . 7 1 1 A 101 101 ARG C C 98 172.100 173.959 -1.859 1
1 1246 . 7 1 1 A 101 101 ARG CA C 98 54.200 54.345 -0.145 1
1 1247 . 7 1 1 A 101 101 ARG CB C 98 32.800 33.883 -1.083 1
1 1250 . 7 1 1 A 101 101 ARG N N 98 118.400 118.331 0.069 1
1 1252 . 7 1 1 A 102 102 VAL H H 99 8.330 8.552 -0.222 1
1 1253 . 7 1 1 A 102 102 VAL HA H 99 4.720 4.509 0.211 1
1 1261 . 7 1 1 A 102 102 VAL C C 99 175.200 174.032 1.168 1
1 1262 . 7 1 1 A 102 102 VAL CA C 99 61.100 61.681 -0.581 1
1 1263 . 7 1 1 A 102 102 VAL CB C 99 32.700 32.586 0.114 1
1 1266 . 7 1 1 A 102 102 VAL N N 99 119.500 122.435 -2.935 1
1 1267 . 7 1 1 A 103 103 LYS H H 100 9.070 9.431 -0.361 1
1 1268 . 7 1 1 A 103 103 LYS HA H 100 4.460 4.608 -0.148 1
1 1277 . 7 1 1 A 103 103 LYS C C 100 175.700 175.383 0.317 1
1 1278 . 7 1 1 A 103 103 LYS CA C 100 54.300 54.904 -0.604 1
1 1279 . 7 1 1 A 103 103 LYS CB C 100 34.800 34.199 0.601 1
1 1283 . 7 1 1 A 103 103 LYS N N 100 130.200 128.595 1.605 1
1 1284 . 7 1 1 A 104 104 ASP H H 101 9.560 9.461 0.099 1
1 1285 . 7 1 1 A 104 104 ASP HA H 101 4.210 4.335 -0.125 1
1 1288 . 7 1 1 A 104 104 ASP C C 101 175.800 176.074 -0.274 1
1 1289 . 7 1 1 A 104 104 ASP CA C 101 55.500 55.287 0.213 1
1 1290 . 7 1 1 A 104 104 ASP CB C 101 39.700 39.195 0.505 1
1 1291 . 7 1 1 A 104 104 ASP N N 101 130.600 127.891 2.709 1
1 1292 . 7 1 1 A 105 105 GLY H H 102 8.260 8.371 -0.111 1
1 1293 . 7 1 1 A 105 105 GLY HA2 H 102 3.450 3.820 -0.370 1
1 1294 . 7 1 1 A 105 105 GLY HA3 H 102 4.170 3.822 0.348 1
1 1295 . 7 1 1 A 105 105 GLY C C 102 173.300 173.641 -0.341 1
1 1296 . 7 1 1 A 105 105 GLY CA C 102 45.300 45.240 0.060 1
1 1297 . 7 1 1 A 105 105 GLY N N 102 101.900 105.088 -3.188 1
1 1298 . 7 1 1 A 106 106 VAL H H 103 7.900 8.146 -0.246 1
1 1299 . 7 1 1 A 106 106 VAL HA H 103 4.270 4.361 -0.091 1
1 1307 . 7 1 1 A 106 106 VAL C C 103 175.100 174.754 0.346 1
1 1308 . 7 1 1 A 106 106 VAL CA C 103 62.100 61.535 0.565 1
1 1309 . 7 1 1 A 106 106 VAL CB C 103 34.100 33.326 0.774 1
1 1312 . 7 1 1 A 106 106 VAL N N 103 123.800 122.316 1.484 1
1 1313 . 7 1 1 A 107 107 VAL H H 104 9.290 9.272 0.018 1
1 1314 . 7 1 1 A 107 107 VAL HA H 104 4.220 4.458 -0.238 1
1 1322 . 7 1 1 A 107 107 VAL C C 104 174.300 175.537 -1.237 1
1 1323 . 7 1 1 A 107 107 VAL CA C 104 62.700 62.909 -0.209 1
1 1324 . 7 1 1 A 107 107 VAL CB C 104 31.500 31.526 -0.026 1
1 1327 . 7 1 1 A 107 107 VAL N N 104 127.300 128.318 -1.018 1
1 1328 . 7 1 1 A 108 108 GLN H H 105 9.410 9.155 0.255 1
1 1329 . 7 1 1 A 108 108 GLN HA H 105 5.720 5.405 0.315 1
1 1336 . 7 1 1 A 108 108 GLN C C 105 174.900 174.839 0.061 1
1 1337 . 7 1 1 A 108 108 GLN CA C 105 53.400 54.629 -1.229 1
1 1338 . 7 1 1 A 108 108 GLN CB C 105 34.600 32.352 2.248 1
1 1341 . 7 1 1 A 108 108 GLN N N 105 126.500 126.868 -0.368 1
1 1343 . 7 1 1 A 109 109 LEU H H 106 8.530 9.050 -0.520 1
1 1344 . 7 1 1 A 109 109 LEU HA H 106 5.760 5.554 0.206 1
1 1354 . 7 1 1 A 109 109 LEU C C 106 176.300 175.306 0.994 1
1 1355 . 7 1 1 A 109 109 LEU CA C 106 52.800 53.555 -0.755 1
1 1356 . 7 1 1 A 109 109 LEU CB C 106 48.900 45.239 3.661 1
1 1360 . 7 1 1 A 109 109 LEU N N 106 118.900 122.030 -3.130 1
1 1361 . 7 1 1 A 110 110 ARG H H 107 8.310 9.291 -0.981 1
1 1362 . 7 1 1 A 110 110 ARG HA H 107 4.230 4.568 -0.338 1
1 1370 . 7 1 1 A 110 110 ARG C C 107 174.800 174.911 -0.111 1
1 1371 . 7 1 1 A 110 110 ARG CA C 107 55.700 54.003 1.697 1
1 1372 . 7 1 1 A 110 110 ARG CB C 107 31.900 31.152 0.748 1
1 1375 . 7 1 1 A 110 110 ARG N N 107 119.900 125.306 -5.406 1
1 1377 . 7 1 1 A 111 111 GLY H H 108 8.390 8.932 -0.542 1
1 1378 . 7 1 1 A 111 111 GLY HA2 H 108 3.880 4.276 -0.396 1
1 1379 . 7 1 1 A 111 111 GLY HA3 H 108 4.130 4.314 -0.184 1
1 1380 . 7 1 1 A 111 111 GLY C C 108 173.500 172.695 0.805 1
1 1381 . 7 1 1 A 111 111 GLY CA C 108 45.000 44.692 0.308 1
1 1382 . 7 1 1 A 111 111 GLY N N 108 110.000 113.460 -3.460 1
1 1383 . 7 1 1 A 112 112 GLY H H 109 8.280 9.088 -0.808 1
1 1384 . 7 1 1 A 112 112 GLY HA2 H 109 3.850 3.968 -0.118 1
1 1385 . 7 1 1 A 112 112 GLY HA3 H 109 3.950 3.968 -0.018 1
1 1386 . 7 1 1 A 112 112 GLY C C 109 173.200 173.562 -0.362 1
1 1387 . 7 1 1 A 112 112 GLY CA C 109 45.100 46.406 -1.306 1
1 1388 . 7 1 1 A 112 112 GLY N N 109 108.400 113.668 -5.268 1
1 10 . 8 1 1 A 5 5 SER H H 2 8.360 8.972 -0.612 1
1 11 . 8 1 1 A 5 5 SER HA H 2 4.400 3.785 0.615 1
1 14 . 8 1 1 A 5 5 SER C C 2 174.100 173.898 0.202 1
1 15 . 8 1 1 A 5 5 SER CA C 2 58.200 60.958 -2.758 1
1 16 . 8 1 1 A 5 5 SER CB C 2 63.700 61.527 2.173 1
1 17 . 8 1 1 A 5 5 SER N N 2 117.000 114.208 2.792 1
1 18 . 8 1 1 A 6 6 GLN H H 3 8.280 8.446 -0.166 1
1 19 . 8 1 1 A 6 6 GLN HA H 3 4.320 3.870 0.450 1
1 26 . 8 1 1 A 6 6 GLN C C 3 175.500 175.022 0.478 1
1 27 . 8 1 1 A 6 6 GLN CA C 3 55.400 56.719 -1.319 1
1 28 . 8 1 1 A 6 6 GLN CB C 3 30.100 26.733 3.367 1
1 31 . 8 1 1 A 6 6 GLN N N 3 121.800 116.313 5.487 1
1 33 . 8 1 1 A 7 7 TRP H H 4 8.170 7.916 0.254 1
1 34 . 8 1 1 A 7 7 TRP HA H 4 4.470 4.922 -0.452 1
1 43 . 8 1 1 A 7 7 TRP C C 4 176.200 175.662 0.538 1
1 44 . 8 1 1 A 7 7 TRP CA C 4 57.600 57.460 0.140 1
1 45 . 8 1 1 A 7 7 TRP CB C 4 30.300 28.720 1.580 1
1 51 . 8 1 1 A 7 7 TRP N N 4 122.300 119.653 2.647 1
1 53 . 8 1 1 A 8 8 LYS H H 5 9.370 8.752 0.618 1
1 54 . 8 1 1 A 8 8 LYS HA H 5 4.690 4.644 0.046 1
1 63 . 8 1 1 A 8 8 LYS C C 5 175.600 175.836 -0.236 1
1 64 . 8 1 1 A 8 8 LYS CA C 5 54.200 56.203 -2.003 1
1 65 . 8 1 1 A 8 8 LYS CB C 5 34.700 33.424 1.276 1
1 69 . 8 1 1 A 8 8 LYS N N 5 125.100 126.498 -1.398 1
1 70 . 8 1 1 A 9 9 ASP H H 6 8.730 8.835 -0.105 1
1 71 . 8 1 1 A 9 9 ASP HA H 6 4.500 4.687 -0.187 1
1 74 . 8 1 1 A 9 9 ASP C C 6 176.200 175.618 0.582 1
1 75 . 8 1 1 A 9 9 ASP CA C 6 55.400 54.529 0.871 1
1 76 . 8 1 1 A 9 9 ASP CB C 6 40.700 40.854 -0.154 1
1 77 . 8 1 1 A 9 9 ASP N N 6 125.400 126.652 -1.252 1
1 78 . 8 1 1 A 10 10 ILE H H 7 9.300 9.316 -0.016 1
1 79 . 8 1 1 A 10 10 ILE HA H 7 4.300 4.050 0.250 1
1 89 . 8 1 1 A 10 10 ILE C C 7 175.500 175.931 -0.431 1
1 90 . 8 1 1 A 10 10 ILE CA C 7 60.000 63.145 -3.145 1
1 91 . 8 1 1 A 10 10 ILE CB C 7 37.700 37.994 -0.294 1
1 95 . 8 1 1 A 10 10 ILE N N 7 122.900 125.745 -2.845 1
1 96 . 8 1 1 A 11 11 CYS H H 8 7.510 7.687 -0.177 1
1 97 . 8 1 1 A 11 11 CYS HA H 8 4.880 4.779 0.101 1
1 100 . 8 1 1 A 11 11 CYS C C 8 172.300 172.758 -0.458 1
1 101 . 8 1 1 A 11 11 CYS CA C 8 55.700 58.013 -2.313 1
1 102 . 8 1 1 A 11 11 CYS CB C 8 28.800 32.219 -3.419 1
1 103 . 8 1 1 A 11 11 CYS N N 8 111.400 116.690 -5.290 1
1 104 . 8 1 1 A 12 12 LYS H H 9 8.920 8.573 0.347 1
1 105 . 8 1 1 A 12 12 LYS HA H 9 4.880 4.735 0.145 1
1 114 . 8 1 1 A 12 12 LYS C C 9 179.400 178.147 1.253 1
1 115 . 8 1 1 A 12 12 LYS CA C 9 55.700 55.128 0.572 1
1 116 . 8 1 1 A 12 12 LYS CB C 9 32.100 33.370 -1.270 1
1 120 . 8 1 1 A 12 12 LYS N N 9 120.100 120.690 -0.590 1
1 121 . 8 1 1 A 13 13 ILE H H 10 8.640 9.265 -0.625 1
1 122 . 8 1 1 A 13 13 ILE HA H 10 3.990 3.960 0.030 1
1 132 . 8 1 1 A 13 13 ILE C C 10 174.900 177.662 -2.762 1
1 133 . 8 1 1 A 13 13 ILE CA C 10 61.000 63.002 -2.002 1
1 134 . 8 1 1 A 13 13 ILE CB C 10 37.800 38.161 -0.361 1
1 138 . 8 1 1 A 13 13 ILE N N 10 123.700 124.902 -1.202 1
1 139 . 8 1 1 A 14 14 ASP H H 11 7.600 8.324 -0.724 1
1 140 . 8 1 1 A 14 14 ASP HA H 11 4.350 4.382 -0.032 1
1 143 . 8 1 1 A 14 14 ASP C C 11 176.500 177.535 -1.035 1
1 144 . 8 1 1 A 14 14 ASP CA C 11 55.400 57.273 -1.873 1
1 145 . 8 1 1 A 14 14 ASP CB C 11 40.400 40.383 0.017 1
1 146 . 8 1 1 A 14 14 ASP N N 11 115.800 121.491 -5.691 1
1 147 . 8 1 1 A 15 15 ASP H H 12 7.600 7.729 -0.129 1
1 148 . 8 1 1 A 15 15 ASP HA H 12 4.490 4.643 -0.153 1
1 151 . 8 1 1 A 15 15 ASP C C 12 175.600 174.860 0.740 1
1 152 . 8 1 1 A 15 15 ASP CA C 12 55.500 55.199 0.301 1
1 153 . 8 1 1 A 15 15 ASP CB C 12 40.900 41.899 -0.999 1
1 154 . 8 1 1 A 15 15 ASP N N 12 116.800 117.222 -0.422 1
1 155 . 8 1 1 A 16 16 ILE H H 13 7.700 7.392 0.308 1
1 156 . 8 1 1 A 16 16 ILE HA H 13 4.000 4.388 -0.388 1
1 166 . 8 1 1 A 16 16 ILE C C 13 174.100 174.929 -0.829 1
1 167 . 8 1 1 A 16 16 ILE CA C 13 60.500 60.205 0.295 1
1 168 . 8 1 1 A 16 16 ILE CB C 13 38.200 39.587 -1.387 1
1 172 . 8 1 1 A 16 16 ILE N N 13 120.900 119.570 1.330 1
1 173 . 8 1 1 A 17 17 LEU H H 14 7.970 8.798 -0.828 1
1 174 . 8 1 1 A 17 17 LEU HA H 14 4.370 4.631 -0.261 1
1 184 . 8 1 1 A 17 17 LEU CA C 14 53.800 53.020 0.780 1
1 185 . 8 1 1 A 17 17 LEU CB C 14 40.500 41.124 -0.624 1
1 189 . 8 1 1 A 17 17 LEU N N 14 127.800 129.454 -1.654 1
1 190 . 8 1 1 A 18 18 PRO HA H 15 4.080 4.317 -0.237 1
1 197 . 8 1 1 A 18 18 PRO C C 15 175.700 176.953 -1.253 1
1 198 . 8 1 1 A 18 18 PRO CA C 15 64.300 63.904 0.396 1
1 199 . 8 1 1 A 18 18 PRO CB C 15 31.600 31.526 0.074 1
1 202 . 8 1 1 A 19 19 GLU H H 16 8.930 9.133 -0.203 1
1 203 . 8 1 1 A 19 19 GLU HA H 16 3.660 3.914 -0.254 1
1 208 . 8 1 1 A 19 19 GLU C C 16 175.500 175.333 0.167 1
1 209 . 8 1 1 A 19 19 GLU CA C 16 58.300 57.905 0.395 1
1 210 . 8 1 1 A 19 19 GLU CB C 16 27.300 28.049 -0.749 1
1 212 . 8 1 1 A 19 19 GLU N N 16 113.700 116.658 -2.958 1
1 213 . 8 1 1 A 20 20 THR H H 17 7.790 7.372 0.418 1
1 214 . 8 1 1 A 20 20 THR HA H 17 5.080 5.093 -0.013 1
1 220 . 8 1 1 A 20 20 THR C C 17 172.100 173.375 -1.275 1
1 221 . 8 1 1 A 20 20 THR CA C 17 60.700 59.616 1.084 1
1 222 . 8 1 1 A 20 20 THR CB C 17 73.100 72.508 0.592 1
1 224 . 8 1 1 A 20 20 THR N N 17 110.000 108.689 1.311 1
1 225 . 8 1 1 A 21 21 GLY H H 18 8.080 8.575 -0.495 1
1 226 . 8 1 1 A 21 21 GLY HA2 H 18 3.070 3.787 -0.717 1
1 227 . 8 1 1 A 21 21 GLY HA3 H 18 5.270 4.157 1.113 1
1 228 . 8 1 1 A 21 21 GLY C C 18 173.400 172.141 1.259 1
1 229 . 8 1 1 A 21 21 GLY CA C 18 44.600 44.215 0.385 1
1 230 . 8 1 1 A 21 21 GLY N N 18 103.700 108.767 -5.067 1
1 231 . 8 1 1 A 22 22 VAL H H 19 8.520 8.916 -0.396 1
1 232 . 8 1 1 A 22 22 VAL HA H 19 4.570 4.875 -0.305 1
1 240 . 8 1 1 A 22 22 VAL C C 19 172.900 174.114 -1.214 1
1 241 . 8 1 1 A 22 22 VAL CA C 19 58.900 58.705 0.195 1
1 242 . 8 1 1 A 22 22 VAL CB C 19 35.900 35.117 0.783 1
1 245 . 8 1 1 A 22 22 VAL N N 19 112.900 118.262 -5.362 1
1 246 . 8 1 1 A 23 23 CYS H H 20 8.290 8.412 -0.122 1
1 247 . 8 1 1 A 23 23 CYS HA H 20 5.250 4.911 0.339 1
1 250 . 8 1 1 A 23 23 CYS C C 20 173.500 174.451 -0.951 1
1 251 . 8 1 1 A 23 23 CYS CA C 20 56.300 57.448 -1.148 1
1 252 . 8 1 1 A 23 23 CYS CB C 20 27.600 28.459 -0.859 1
1 253 . 8 1 1 A 23 23 CYS N N 20 120.700 120.714 -0.014 1
1 254 . 8 1 1 A 24 24 ALA H H 21 9.590 9.477 0.113 1
1 255 . 8 1 1 A 24 24 ALA HA H 21 4.580 5.028 -0.448 1
1 259 . 8 1 1 A 24 24 ALA C C 21 174.400 176.154 -1.754 1
1 260 . 8 1 1 A 24 24 ALA CA C 21 50.200 50.284 -0.084 1
1 261 . 8 1 1 A 24 24 ALA CB C 21 23.400 21.118 2.282 1
1 262 . 8 1 1 A 24 24 ALA N N 21 132.500 127.760 4.740 1
1 263 . 8 1 1 A 25 25 LEU H H 22 8.100 9.107 -1.007 1
1 264 . 8 1 1 A 25 25 LEU HA H 22 4.860 4.816 0.044 1
1 274 . 8 1 1 A 25 25 LEU C C 22 175.800 174.754 1.046 1
1 275 . 8 1 1 A 25 25 LEU CA C 22 53.800 53.908 -0.108 1
1 276 . 8 1 1 A 25 25 LEU CB C 22 43.600 42.400 1.200 1
1 280 . 8 1 1 A 25 25 LEU N N 22 120.700 122.162 -1.462 1
1 281 . 8 1 1 A 26 26 LEU H H 23 8.660 8.818 -0.158 1
1 282 . 8 1 1 A 26 26 LEU HA H 23 4.410 4.540 -0.130 1
1 292 . 8 1 1 A 26 26 LEU C C 23 176.600 176.651 -0.051 1
1 293 . 8 1 1 A 26 26 LEU CA C 23 53.100 54.179 -1.079 1
1 294 . 8 1 1 A 26 26 LEU CB C 23 43.400 42.482 0.918 1
1 298 . 8 1 1 A 26 26 LEU N N 23 125.800 126.690 -0.890 1
1 299 . 8 1 1 A 27 27 GLY H H 24 8.910 8.866 0.044 1
1 300 . 8 1 1 A 27 27 GLY HA2 H 24 3.560 3.826 -0.266 1
1 301 . 8 1 1 A 27 27 GLY HA3 H 24 4.000 3.826 0.174 1
1 302 . 8 1 1 A 27 27 GLY C C 24 173.800 174.356 -0.556 1
1 303 . 8 1 1 A 27 27 GLY CA C 24 47.300 47.316 -0.016 1
1 304 . 8 1 1 A 27 27 GLY N N 24 118.300 115.835 2.465 1
1 305 . 8 1 1 A 28 28 ASP H H 25 8.800 8.795 0.005 1
1 306 . 8 1 1 A 28 28 ASP HA H 25 4.690 4.828 -0.138 1
1 309 . 8 1 1 A 28 28 ASP C C 25 176.100 175.932 0.168 1
1 310 . 8 1 1 A 28 28 ASP CA C 25 53.900 53.533 0.367 1
1 311 . 8 1 1 A 28 28 ASP CB C 25 41.300 42.465 -1.165 1
1 312 . 8 1 1 A 28 28 ASP N N 25 126.600 126.117 0.483 1
1 313 . 8 1 1 A 29 29 GLU H H 26 8.100 7.639 0.461 1
1 314 . 8 1 1 A 29 29 GLU HA H 26 4.440 4.327 0.113 1
1 319 . 8 1 1 A 29 29 GLU C C 26 174.800 176.165 -1.365 1
1 320 . 8 1 1 A 29 29 GLU CA C 26 55.800 56.088 -0.288 1
1 321 . 8 1 1 A 29 29 GLU CB C 26 30.600 30.352 0.248 1
1 323 . 8 1 1 A 29 29 GLU N N 26 120.400 119.024 1.376 1
1 324 . 8 1 1 A 30 30 GLN H H 27 8.640 8.353 0.287 1
1 325 . 8 1 1 A 30 30 GLN HA H 27 4.510 4.678 -0.168 1
1 332 . 8 1 1 A 30 30 GLN C C 27 175.800 174.979 0.821 1
1 333 . 8 1 1 A 30 30 GLN CA C 27 55.700 55.318 0.382 1
1 334 . 8 1 1 A 30 30 GLN CB C 27 29.300 29.034 0.266 1
1 336 . 8 1 1 A 30 30 GLN N N 27 121.300 122.930 -1.630 1
1 338 . 8 1 1 A 31 31 VAL H H 28 9.280 9.363 -0.083 1
1 339 . 8 1 1 A 31 31 VAL HA H 28 4.040 4.497 -0.457 1
1 347 . 8 1 1 A 31 31 VAL C C 28 172.900 174.245 -1.345 1
1 348 . 8 1 1 A 31 31 VAL CA C 28 61.900 60.844 1.056 1
1 349 . 8 1 1 A 31 31 VAL CB C 28 34.800 33.724 1.076 1
1 352 . 8 1 1 A 31 31 VAL N N 28 128.600 125.575 3.025 1
1 353 . 8 1 1 A 32 32 ALA H H 29 9.440 9.196 0.244 1
1 354 . 8 1 1 A 32 32 ALA HA H 29 4.680 4.692 -0.012 1
1 358 . 8 1 1 A 32 32 ALA C C 29 175.200 175.699 -0.499 1
1 359 . 8 1 1 A 32 32 ALA CA C 29 50.500 50.744 -0.244 1
1 360 . 8 1 1 A 32 32 ALA CB C 29 20.200 20.001 0.199 1
1 361 . 8 1 1 A 32 32 ALA N N 29 130.400 128.789 1.611 1
1 362 . 8 1 1 A 33 33 ILE H H 30 8.590 9.048 -0.458 1
1 363 . 8 1 1 A 33 33 ILE HA H 30 4.680 4.624 0.056 1
1 373 . 8 1 1 A 33 33 ILE C C 30 174.800 174.759 0.041 1
1 374 . 8 1 1 A 33 33 ILE CA C 30 59.900 59.911 -0.011 1
1 375 . 8 1 1 A 33 33 ILE CB C 30 39.300 38.192 1.108 1
1 379 . 8 1 1 A 33 33 ILE N N 30 120.600 123.892 -3.292 1
1 380 . 8 1 1 A 34 34 PHE H H 31 9.430 9.521 -0.091 1
1 381 . 8 1 1 A 34 34 PHE HA H 31 5.070 5.225 -0.155 1
1 386 . 8 1 1 A 34 34 PHE C C 31 174.800 174.695 0.105 1
1 387 . 8 1 1 A 34 34 PHE CA C 31 57.200 56.983 0.217 1
1 388 . 8 1 1 A 34 34 PHE CB C 31 43.400 40.896 2.504 1
1 391 . 8 1 1 A 34 34 PHE N N 31 121.800 126.755 -4.955 1
1 392 . 8 1 1 A 35 35 ARG H H 32 8.450 8.962 -0.512 1
1 393 . 8 1 1 A 35 35 ARG HA H 32 5.470 4.860 0.610 1
1 403 . 8 1 1 A 35 35 ARG CA C 32 52.000 52.586 -0.586 1
1 404 . 8 1 1 A 35 35 ARG CB C 32 33.200 31.358 1.842 1
1 407 . 8 1 1 A 35 35 ARG N N 32 123.000 125.105 -2.105 1
1 410 . 8 1 1 A 36 36 PRO HA H 33 3.910 4.610 -0.700 1
1 417 . 8 1 1 A 36 36 PRO C C 33 174.300 175.719 -1.419 1
1 418 . 8 1 1 A 36 36 PRO CA C 33 64.600 63.804 0.796 1
1 419 . 8 1 1 A 36 36 PRO CB C 33 32.800 32.019 0.781 1
1 422 . 8 1 1 A 37 37 TYR H H 34 9.000 7.759 1.241 1
1 423 . 8 1 1 A 37 37 TYR HA H 34 5.250 4.978 0.272 1
1 430 . 8 1 1 A 37 37 TYR C C 34 175.000 176.408 -1.408 1
1 431 . 8 1 1 A 37 37 TYR CA C 34 54.200 57.125 -2.925 1
1 432 . 8 1 1 A 37 37 TYR CB C 34 41.000 40.926 0.074 1
1 437 . 8 1 1 A 37 37 TYR N N 34 115.500 119.616 -4.116 1
1 438 . 8 1 1 A 38 38 HIS H H 35 8.700 9.104 -0.404 1
1 439 . 8 1 1 A 38 38 HIS HA H 35 4.490 4.433 0.057 1
1 444 . 8 1 1 A 38 38 HIS C C 35 175.800 175.234 0.566 1
1 445 . 8 1 1 A 38 38 HIS CA C 35 56.400 58.659 -2.259 1
1 446 . 8 1 1 A 38 38 HIS CB C 35 28.600 30.549 -1.949 1
1 449 . 8 1 1 A 38 38 HIS N N 35 119.000 122.552 -3.552 1
1 450 . 8 1 1 A 39 39 SER H H 36 7.890 7.970 -0.080 1
1 451 . 8 1 1 A 39 39 SER HA H 36 4.770 4.551 0.219 1
1 454 . 8 1 1 A 39 39 SER C C 36 173.800 175.095 -1.295 1
1 455 . 8 1 1 A 39 39 SER CA C 36 57.000 57.820 -0.820 1
1 456 . 8 1 1 A 39 39 SER CB C 36 64.700 64.481 0.219 1
1 457 . 8 1 1 A 39 39 SER N N 36 115.500 114.238 1.262 1
1 458 . 8 1 1 A 40 40 ASP H H 37 8.540 8.591 -0.051 1
1 459 . 8 1 1 A 40 40 ASP HA H 37 4.540 4.619 -0.079 1
1 462 . 8 1 1 A 40 40 ASP C C 37 174.700 176.105 -1.405 1
1 463 . 8 1 1 A 40 40 ASP CA C 37 53.800 54.200 -0.400 1
1 464 . 8 1 1 A 40 40 ASP CB C 37 39.600 39.567 0.033 1
1 465 . 8 1 1 A 40 40 ASP N N 37 119.400 121.803 -2.403 1
1 466 . 8 1 1 A 41 41 GLN H H 38 7.490 7.528 -0.038 1
1 467 . 8 1 1 A 41 41 GLN HA H 38 4.140 4.381 -0.241 1
1 474 . 8 1 1 A 41 41 GLN C C 38 175.500 175.425 0.075 1
1 475 . 8 1 1 A 41 41 GLN CA C 38 57.100 55.563 1.537 1
1 476 . 8 1 1 A 41 41 GLN CB C 38 29.400 29.058 0.342 1
1 479 . 8 1 1 A 41 41 GLN N N 38 118.700 119.569 -0.869 1
1 481 . 8 1 1 A 42 42 VAL H H 39 7.800 8.717 -0.917 1
1 482 . 8 1 1 A 42 42 VAL HA H 39 5.600 5.021 0.579 1
1 490 . 8 1 1 A 42 42 VAL C C 39 174.200 174.123 0.077 1
1 491 . 8 1 1 A 42 42 VAL CA C 39 58.200 59.458 -1.258 1
1 492 . 8 1 1 A 42 42 VAL CB C 39 36.500 35.178 1.322 1
1 495 . 8 1 1 A 42 42 VAL N N 39 116.100 117.532 -1.432 1
1 496 . 8 1 1 A 43 43 PHE H H 40 8.480 9.644 -1.164 1
1 497 . 8 1 1 A 43 43 PHE HA H 40 4.870 5.401 -0.531 1
1 504 . 8 1 1 A 43 43 PHE C C 40 173.900 174.509 -0.609 1
1 505 . 8 1 1 A 43 43 PHE CA C 40 56.800 56.304 0.496 1
1 506 . 8 1 1 A 43 43 PHE CB C 40 45.300 42.630 2.670 1
1 511 . 8 1 1 A 43 43 PHE N N 40 117.200 121.473 -4.273 1
1 512 . 8 1 1 A 44 44 ALA H H 41 9.520 9.244 0.276 1
1 513 . 8 1 1 A 44 44 ALA HA H 41 6.200 5.880 0.320 1
1 517 . 8 1 1 A 44 44 ALA C C 41 176.300 176.752 -0.452 1
1 518 . 8 1 1 A 44 44 ALA CA C 41 50.900 50.141 0.759 1
1 519 . 8 1 1 A 44 44 ALA CB C 41 24.100 21.670 2.430 1
1 520 . 8 1 1 A 44 44 ALA N N 41 125.100 125.945 -0.845 1
1 521 . 8 1 1 A 45 45 ILE H H 42 8.970 9.260 -0.290 1
1 522 . 8 1 1 A 45 45 ILE HA H 42 5.580 5.434 0.146 1
1 532 . 8 1 1 A 45 45 ILE C C 42 174.600 174.649 -0.049 1
1 533 . 8 1 1 A 45 45 ILE CA C 42 59.300 58.869 0.431 1
1 534 . 8 1 1 A 45 45 ILE CB C 42 44.300 42.208 2.092 1
1 538 . 8 1 1 A 45 45 ILE N N 42 117.100 118.923 -1.823 1
1 539 . 8 1 1 A 46 46 SER H H 43 8.460 8.771 -0.311 1
1 540 . 8 1 1 A 46 46 SER HA H 43 4.350 4.739 -0.389 1
1 543 . 8 1 1 A 46 46 SER C C 43 172.100 175.261 -3.161 1
1 544 . 8 1 1 A 46 46 SER CA C 43 59.500 58.928 0.572 1
1 545 . 8 1 1 A 46 46 SER CB C 43 64.900 63.683 1.217 1
1 546 . 8 1 1 A 46 46 SER N N 43 112.400 118.659 -6.259 1
1 547 . 8 1 1 A 47 47 ASN H H 44 7.990 9.023 -1.033 1
1 548 . 8 1 1 A 47 47 ASN HA H 44 4.940 4.808 0.132 1
1 553 . 8 1 1 A 47 47 ASN C C 44 175.800 174.843 0.957 1
1 554 . 8 1 1 A 47 47 ASN CA C 44 53.800 53.892 -0.092 1
1 555 . 8 1 1 A 47 47 ASN CB C 44 40.600 39.717 0.883 1
1 556 . 8 1 1 A 47 47 ASN N N 44 117.800 122.555 -4.755 1
1 558 . 8 1 1 A 48 48 ILE H H 45 8.190 7.328 0.862 1
1 559 . 8 1 1 A 48 48 ILE HA H 45 4.100 4.580 -0.480 1
1 569 . 8 1 1 A 48 48 ILE C C 45 175.200 175.236 -0.036 1
1 570 . 8 1 1 A 48 48 ILE CA C 45 59.400 59.455 -0.055 1
1 571 . 8 1 1 A 48 48 ILE CB C 45 36.500 40.571 -4.071 1
1 575 . 8 1 1 A 48 48 ILE N N 45 118.300 119.685 -1.385 1
1 576 . 8 1 1 A 49 49 ASP H H 46 8.720 8.908 -0.188 1
1 577 . 8 1 1 A 49 49 ASP HA H 46 4.530 4.956 -0.426 1
1 580 . 8 1 1 A 49 49 ASP CA C 46 51.400 52.946 -1.546 1
1 581 . 8 1 1 A 49 49 ASP CB C 46 42.900 40.334 2.566 1
1 582 . 8 1 1 A 49 49 ASP N N 46 128.600 125.952 2.648 1
1 583 . 8 1 1 A 50 50 PRO HA H 47 4.500 4.385 0.115 1
1 590 . 8 1 1 A 50 50 PRO C C 47 177.800 179.074 -1.274 1
1 591 . 8 1 1 A 50 50 PRO CA C 47 63.700 66.144 -2.444 1
1 592 . 8 1 1 A 50 50 PRO CB C 47 32.200 31.355 0.845 1
1 595 . 8 1 1 A 51 51 PHE H H 48 9.270 7.952 1.318 1
1 596 . 8 1 1 A 51 51 PHE HA H 48 3.980 4.342 -0.362 1
1 601 . 8 1 1 A 51 51 PHE C C 48 177.100 178.718 -1.618 1
1 602 . 8 1 1 A 51 51 PHE CA C 48 61.400 60.532 0.868 1
1 603 . 8 1 1 A 51 51 PHE CB C 48 37.900 39.183 -1.283 1
1 606 . 8 1 1 A 51 51 PHE N N 48 121.800 118.054 3.746 1
1 607 . 8 1 1 A 52 52 PHE H H 49 7.440 8.594 -1.154 1
1 608 . 8 1 1 A 52 52 PHE HA H 49 4.560 4.203 0.357 1
1 616 . 8 1 1 A 52 52 PHE C C 49 176.100 175.561 0.539 1
1 617 . 8 1 1 A 52 52 PHE CA C 49 58.300 61.681 -3.381 1
1 618 . 8 1 1 A 52 52 PHE CB C 49 42.000 39.237 2.763 1
1 624 . 8 1 1 A 52 52 PHE N N 49 114.500 119.998 -5.498 1
1 625 . 8 1 1 A 53 53 GLU H H 50 8.590 8.311 0.279 1
1 626 . 8 1 1 A 53 53 GLU HA H 50 3.780 4.322 -0.542 1
1 631 . 8 1 1 A 53 53 GLU C C 50 175.000 175.535 -0.535 1
1 632 . 8 1 1 A 53 53 GLU CA C 50 57.300 57.389 -0.089 1
1 633 . 8 1 1 A 53 53 GLU CB C 50 27.100 28.293 -1.193 1
1 635 . 8 1 1 A 53 53 GLU N N 50 120.300 119.326 0.974 1
1 636 . 8 1 1 A 54 54 SER H H 51 7.100 7.840 -0.740 1
1 637 . 8 1 1 A 54 54 SER HA H 51 4.910 4.888 0.022 1
1 640 . 8 1 1 A 54 54 SER CA C 51 56.500 55.732 0.768 1
1 641 . 8 1 1 A 54 54 SER CB C 51 66.100 65.664 0.436 1
1 642 . 8 1 1 A 54 54 SER N N 51 110.300 118.239 -7.939 1
1 643 . 8 1 1 A 55 55 SER HA H 52 4.550 4.577 -0.027 1
1 646 . 8 1 1 A 55 55 SER C C 52 173.500 173.552 -0.052 1
1 647 . 8 1 1 A 55 55 SER CA C 52 56.700 56.258 0.442 1
1 648 . 8 1 1 A 55 55 SER CB C 52 62.100 65.290 -3.190 1
1 649 . 8 1 1 A 56 56 VAL H H 53 7.590 8.286 -0.696 1
1 650 . 8 1 1 A 56 56 VAL HA H 53 4.900 4.886 0.014 1
1 658 . 8 1 1 A 56 56 VAL C C 53 176.800 176.521 0.279 1
1 659 . 8 1 1 A 56 56 VAL CA C 53 61.300 62.133 -0.833 1
1 660 . 8 1 1 A 56 56 VAL CB C 53 36.200 32.453 3.747 1
1 663 . 8 1 1 A 56 56 VAL N N 53 117.400 121.109 -3.709 1
1 664 . 8 1 1 A 57 57 LEU H H 54 8.690 8.651 0.039 1
1 665 . 8 1 1 A 57 57 LEU HA H 54 3.930 4.324 -0.394 1
1 675 . 8 1 1 A 57 57 LEU C C 54 179.500 178.931 0.569 1
1 676 . 8 1 1 A 57 57 LEU CA C 54 60.000 56.827 3.173 1
1 677 . 8 1 1 A 57 57 LEU CB C 54 40.800 41.723 -0.923 1
1 681 . 8 1 1 A 57 57 LEU N N 54 121.100 126.395 -5.295 1
1 682 . 8 1 1 A 58 58 SER H H 55 9.750 7.648 2.102 1
1 683 . 8 1 1 A 58 58 SER HA H 55 3.800 4.091 -0.291 1
1 686 . 8 1 1 A 58 58 SER C C 55 174.100 175.994 -1.894 1
1 687 . 8 1 1 A 58 58 SER CA C 55 61.600 61.184 0.416 1
1 688 . 8 1 1 A 58 58 SER CB C 55 61.900 63.158 -1.258 1
1 689 . 8 1 1 A 58 58 SER N N 55 113.400 114.529 -1.129 1
1 690 . 8 1 1 A 59 59 ARG H H 56 7.510 7.653 -0.143 1
1 691 . 8 1 1 A 59 59 ARG HA H 56 4.560 4.524 0.036 1
1 698 . 8 1 1 A 59 59 ARG C C 56 177.500 175.279 2.221 1
1 699 . 8 1 1 A 59 59 ARG CA C 56 55.400 55.117 0.283 1
1 700 . 8 1 1 A 59 59 ARG CB C 56 30.400 29.556 0.844 1
1 703 . 8 1 1 A 59 59 ARG N N 56 118.400 120.069 -1.669 1
1 704 . 8 1 1 A 60 60 GLY H H 57 8.550 7.880 0.670 1
1 705 . 8 1 1 A 60 60 GLY HA2 H 57 4.020 4.328 -0.308 1
1 706 . 8 1 1 A 60 60 GLY HA3 H 57 4.020 4.350 -0.330 1
1 707 . 8 1 1 A 60 60 GLY C C 57 171.200 172.851 -1.651 1
1 708 . 8 1 1 A 60 60 GLY CA C 57 45.400 44.351 1.049 1
1 709 . 8 1 1 A 60 60 GLY N N 57 108.600 108.894 -0.294 1
1 710 . 8 1 1 A 61 61 LEU H H 58 7.740 8.510 -0.770 1
1 711 . 8 1 1 A 61 61 LEU HA H 58 4.640 5.083 -0.443 1
1 721 . 8 1 1 A 61 61 LEU C C 58 177.000 175.580 1.420 1
1 722 . 8 1 1 A 61 61 LEU CA C 58 54.200 52.640 1.560 1
1 723 . 8 1 1 A 61 61 LEU CB C 58 43.700 44.327 -0.627 1
1 727 . 8 1 1 A 61 61 LEU N N 58 119.100 116.638 2.462 1
1 728 . 8 1 1 A 62 62 ILE H H 59 8.780 8.439 0.341 1
1 729 . 8 1 1 A 62 62 ILE HA H 59 4.660 5.329 -0.669 1
1 739 . 8 1 1 A 62 62 ILE C C 59 175.500 174.830 0.670 1
1 740 . 8 1 1 A 62 62 ILE CA C 59 60.600 59.881 0.719 1
1 741 . 8 1 1 A 62 62 ILE CB C 59 38.700 40.672 -1.972 1
1 745 . 8 1 1 A 62 62 ILE N N 59 126.500 120.154 6.346 1
1 746 . 8 1 1 A 63 63 ALA H H 60 9.110 9.296 -0.186 1
1 747 . 8 1 1 A 63 63 ALA HA H 60 4.590 5.175 -0.585 1
1 751 . 8 1 1 A 63 63 ALA C C 60 175.000 174.824 0.176 1
1 752 . 8 1 1 A 63 63 ALA CA C 60 51.300 50.089 1.211 1
1 753 . 8 1 1 A 63 63 ALA CB C 60 23.100 23.544 -0.444 1
1 754 . 8 1 1 A 63 63 ALA N N 60 129.300 128.292 1.008 1
1 755 . 8 1 1 A 64 64 GLU H H 61 8.460 8.820 -0.360 1
1 756 . 8 1 1 A 64 64 GLU HA H 61 5.070 5.024 0.046 1
1 761 . 8 1 1 A 64 64 GLU C C 61 176.000 176.408 -0.408 1
1 762 . 8 1 1 A 64 64 GLU CA C 61 55.100 55.715 -0.615 1
1 763 . 8 1 1 A 64 64 GLU CB C 61 31.200 31.404 -0.204 1
1 765 . 8 1 1 A 64 64 GLU N N 61 121.500 120.775 0.725 1
1 766 . 8 1 1 A 65 65 HIS H H 62 9.310 9.201 0.109 1
1 767 . 8 1 1 A 65 65 HIS HA H 62 4.740 4.237 0.503 1
1 772 . 8 1 1 A 65 65 HIS CA C 62 56.400 58.594 -2.194 1
1 773 . 8 1 1 A 65 65 HIS CB C 62 32.600 30.993 1.607 1
1 776 . 8 1 1 A 65 65 HIS N N 62 123.500 126.458 -2.958 1
1 777 . 8 1 1 A 66 66 GLN HA H 63 3.870 4.366 -0.496 1
1 784 . 8 1 1 A 66 66 GLN C C 63 176.000 175.298 0.702 1
1 785 . 8 1 1 A 66 66 GLN CA C 63 56.600 55.110 1.490 1
1 786 . 8 1 1 A 66 66 GLN CB C 63 26.800 30.359 -3.559 1
1 790 . 8 1 1 A 67 67 GLY H H 64 8.970 8.600 0.370 1
1 791 . 8 1 1 A 67 67 GLY HA2 H 64 3.680 3.918 -0.238 1
1 792 . 8 1 1 A 67 67 GLY HA3 H 64 4.140 3.935 0.205 1
1 793 . 8 1 1 A 67 67 GLY C C 64 173.800 173.610 0.190 1
1 794 . 8 1 1 A 67 67 GLY CA C 64 45.600 45.593 0.007 1
1 795 . 8 1 1 A 67 67 GLY N N 64 104.200 115.820 -11.620 1
1 796 . 8 1 1 A 68 68 GLU H H 65 7.850 8.084 -0.234 1
1 797 . 8 1 1 A 68 68 GLU HA H 65 4.810 4.862 -0.052 1
1 802 . 8 1 1 A 68 68 GLU C C 65 174.400 175.466 -1.066 1
1 803 . 8 1 1 A 68 68 GLU CA C 65 54.100 54.961 -0.861 1
1 804 . 8 1 1 A 68 68 GLU CB C 65 34.000 32.340 1.660 1
1 806 . 8 1 1 A 68 68 GLU N N 65 118.800 120.211 -1.411 1
1 807 . 8 1 1 A 69 69 LEU H H 66 8.030 8.932 -0.902 1
1 808 . 8 1 1 A 69 69 LEU HA H 66 4.920 4.981 -0.061 1
1 818 . 8 1 1 A 69 69 LEU C C 66 177.100 175.544 1.556 1
1 819 . 8 1 1 A 69 69 LEU CA C 66 54.300 53.784 0.516 1
1 820 . 8 1 1 A 69 69 LEU CB C 66 44.500 42.218 2.282 1
1 824 . 8 1 1 A 69 69 LEU N N 66 119.000 125.143 -6.143 1
1 825 . 8 1 1 A 70 70 TRP H H 67 8.980 9.546 -0.566 1
1 826 . 8 1 1 A 70 70 TRP HA H 67 5.140 5.160 -0.020 1
1 835 . 8 1 1 A 70 70 TRP C C 67 174.400 175.365 -0.965 1
1 836 . 8 1 1 A 70 70 TRP CA C 67 55.100 56.357 -1.257 1
1 837 . 8 1 1 A 70 70 TRP CB C 67 31.800 31.689 0.111 1
1 843 . 8 1 1 A 70 70 TRP N N 67 122.200 125.733 -3.533 1
1 845 . 8 1 1 A 71 71 VAL H H 68 9.490 8.878 0.612 1
1 846 . 8 1 1 A 71 71 VAL HA H 68 4.990 4.724 0.266 1
1 854 . 8 1 1 A 71 71 VAL C C 68 173.000 173.765 -0.765 1
1 855 . 8 1 1 A 71 71 VAL CA C 68 58.500 59.726 -1.226 1
1 856 . 8 1 1 A 71 71 VAL CB C 68 34.300 33.677 0.623 1
1 859 . 8 1 1 A 71 71 VAL N N 68 120.900 122.563 -1.663 1
1 860 . 8 1 1 A 72 72 ALA H H 69 8.550 9.196 -0.646 1
1 861 . 8 1 1 A 72 72 ALA HA H 69 5.280 5.103 0.177 1
1 865 . 8 1 1 A 72 72 ALA C C 69 178.000 175.874 2.126 1
1 866 . 8 1 1 A 72 72 ALA CA C 69 49.200 50.380 -1.180 1
1 867 . 8 1 1 A 72 72 ALA CB C 69 19.700 21.334 -1.634 1
1 868 . 8 1 1 A 72 72 ALA N N 69 130.000 130.841 -0.841 1
1 869 . 8 1 1 A 73 73 SER H H 70 9.470 8.588 0.882 1
1 870 . 8 1 1 A 73 73 SER HA H 70 4.540 4.676 -0.136 1
1 873 . 8 1 1 A 73 73 SER CA C 70 55.700 56.459 -0.759 1
1 874 . 8 1 1 A 73 73 SER CB C 70 64.400 63.471 0.929 1
1 875 . 8 1 1 A 73 73 SER N N 70 118.100 121.559 -3.459 1
1 876 . 8 1 1 A 74 74 PRO HA H 71 4.540 4.493 0.047 1
1 883 . 8 1 1 A 74 74 PRO C C 71 176.700 176.953 -0.253 1
1 884 . 8 1 1 A 74 74 PRO CA C 71 64.000 63.712 0.288 1
1 885 . 8 1 1 A 74 74 PRO CB C 71 32.300 32.199 0.101 1
1 888 . 8 1 1 A 75 75 LEU H H 72 7.850 8.077 -0.227 1
1 889 . 8 1 1 A 75 75 LEU HA H 72 4.330 4.187 0.143 1
1 899 . 8 1 1 A 75 75 LEU CA C 72 56.200 57.262 -1.062 1
1 900 . 8 1 1 A 75 75 LEU CB C 72 38.500 42.464 -3.964 1
1 904 . 8 1 1 A 75 75 LEU N N 72 119.300 119.747 -0.447 1
1 905 . 8 1 1 A 76 76 LYS HA H 73 4.470 4.529 -0.059 1
1 914 . 8 1 1 A 76 76 LYS C C 73 176.600 176.505 0.095 1
1 915 . 8 1 1 A 76 76 LYS CA C 73 54.600 57.166 -2.566 1
1 916 . 8 1 1 A 76 76 LYS CB C 73 31.700 35.145 -3.445 1
1 920 . 8 1 1 A 77 77 LYS H H 74 7.240 7.720 -0.480 1
1 921 . 8 1 1 A 77 77 LYS HA H 74 4.440 4.655 -0.215 1
1 930 . 8 1 1 A 77 77 LYS C C 74 175.500 174.342 1.158 1
1 931 . 8 1 1 A 77 77 LYS CA C 74 57.800 55.270 2.530 1
1 932 . 8 1 1 A 77 77 LYS CB C 74 28.600 34.580 -5.980 1
1 936 . 8 1 1 A 77 77 LYS N N 74 110.900 113.481 -2.581 1
1 937 . 8 1 1 A 78 78 GLN H H 75 8.080 8.713 -0.633 1
1 938 . 8 1 1 A 78 78 GLN HA H 75 4.030 4.933 -0.903 1
1 945 . 8 1 1 A 78 78 GLN C C 75 174.500 173.446 1.054 1
1 946 . 8 1 1 A 78 78 GLN CA C 75 58.400 54.217 4.183 1
1 947 . 8 1 1 A 78 78 GLN CB C 75 27.400 32.359 -4.959 1
1 949 . 8 1 1 A 78 78 GLN N N 75 119.100 122.630 -3.530 1
1 951 . 8 1 1 A 79 79 ARG H H 76 9.800 8.593 1.207 1
1 952 . 8 1 1 A 79 79 ARG HA H 76 5.310 5.278 0.032 1
1 960 . 8 1 1 A 79 79 ARG C C 76 175.800 174.546 1.254 1
1 961 . 8 1 1 A 79 79 ARG CA C 76 55.300 54.955 0.345 1
1 962 . 8 1 1 A 79 79 ARG CB C 76 33.100 33.388 -0.288 1
1 965 . 8 1 1 A 79 79 ARG N N 76 122.800 122.015 0.785 1
1 967 . 8 1 1 A 80 80 PHE H H 77 9.220 9.320 -0.100 1
1 968 . 8 1 1 A 80 80 PHE HA H 77 5.630 4.858 0.772 1
1 976 . 8 1 1 A 80 80 PHE C C 77 175.300 174.489 0.811 1
1 977 . 8 1 1 A 80 80 PHE CA C 77 55.800 56.544 -0.744 1
1 978 . 8 1 1 A 80 80 PHE CB C 77 41.300 41.633 -0.333 1
1 984 . 8 1 1 A 80 80 PHE N N 77 119.400 125.586 -6.186 1
1 985 . 8 1 1 A 81 81 ARG H H 78 9.870 8.538 1.332 1
1 986 . 8 1 1 A 81 81 ARG HA H 78 3.490 3.263 0.227 1
1 996 . 8 1 1 A 81 81 ARG C C 78 177.400 175.851 1.549 1
1 997 . 8 1 1 A 81 81 ARG CA C 78 58.100 55.048 3.052 1
1 998 . 8 1 1 A 81 81 ARG CB C 78 30.500 28.758 1.742 1
1 1001 . 8 1 1 A 81 81 ARG N N 78 130.100 124.414 5.686 1
1 1004 . 8 1 1 A 82 82 LEU H H 79 7.860 7.862 -0.002 1
1 1005 . 8 1 1 A 82 82 LEU HA H 79 3.790 3.837 -0.047 1
1 1015 . 8 1 1 A 82 82 LEU C C 79 177.500 178.324 -0.824 1
1 1016 . 8 1 1 A 82 82 LEU CA C 79 57.600 57.014 0.586 1
1 1017 . 8 1 1 A 82 82 LEU CB C 79 39.600 41.263 -1.663 1
1 1021 . 8 1 1 A 82 82 LEU N N 79 125.300 126.415 -1.115 1
1 1022 . 8 1 1 A 83 83 SER H H 80 8.000 7.731 0.269 1
1 1023 . 8 1 1 A 83 83 SER HA H 80 4.200 3.399 0.801 1
1 1026 . 8 1 1 A 83 83 SER C C 80 176.600 175.033 1.567 1
1 1027 . 8 1 1 A 83 83 SER CA C 80 60.100 60.454 -0.354 1
1 1028 . 8 1 1 A 83 83 SER CB C 80 62.500 62.540 -0.040 1
1 1029 . 8 1 1 A 83 83 SER N N 80 109.700 113.951 -4.251 1
1 1030 . 8 1 1 A 84 84 ASP H H 81 7.100 8.112 -1.012 1
1 1031 . 8 1 1 A 84 84 ASP HA H 81 4.090 4.543 -0.453 1
1 1034 . 8 1 1 A 84 84 ASP C C 81 175.900 176.103 -0.203 1
1 1035 . 8 1 1 A 84 84 ASP CA C 81 53.500 55.140 -1.640 1
1 1036 . 8 1 1 A 84 84 ASP CB C 81 41.900 43.733 -1.833 1
1 1037 . 8 1 1 A 84 84 ASP N N 81 117.300 118.949 -1.649 1
1 1038 . 8 1 1 A 85 85 GLY H H 82 8.860 8.486 0.374 1
1 1039 . 8 1 1 A 85 85 GLY HA2 H 82 3.590 3.974 -0.384 1
1 1040 . 8 1 1 A 85 85 GLY HA3 H 82 4.810 3.991 0.819 1
1 1041 . 8 1 1 A 85 85 GLY C C 82 173.700 174.335 -0.635 1
1 1042 . 8 1 1 A 85 85 GLY CA C 82 45.900 44.726 1.174 1
1 1043 . 8 1 1 A 85 85 GLY N N 82 111.300 107.262 4.038 1
1 1044 . 8 1 1 A 86 86 LEU H H 83 7.430 7.748 -0.318 1
1 1045 . 8 1 1 A 86 86 LEU HA H 83 4.290 4.341 -0.051 1
1 1055 . 8 1 1 A 86 86 LEU C C 83 176.600 175.155 1.445 1
1 1056 . 8 1 1 A 86 86 LEU CA C 83 56.200 55.062 1.138 1
1 1057 . 8 1 1 A 86 86 LEU CB C 83 43.100 42.817 0.283 1
1 1061 . 8 1 1 A 86 86 LEU N N 83 120.800 122.676 -1.876 1
1 1062 . 8 1 1 A 87 87 CYS H H 84 8.080 8.338 -0.258 1
1 1063 . 8 1 1 A 87 87 CYS HA H 84 5.290 4.736 0.554 1
1 1066 . 8 1 1 A 87 87 CYS C C 84 175.300 175.130 0.170 1
1 1067 . 8 1 1 A 87 87 CYS CA C 84 56.600 57.314 -0.714 1
1 1068 . 8 1 1 A 87 87 CYS CB C 84 27.800 29.313 -1.513 1
1 1069 . 8 1 1 A 87 87 CYS N N 84 126.300 125.686 0.614 1
1 1070 . 8 1 1 A 88 88 MET H H 85 8.760 8.538 0.222 1
1 1071 . 8 1 1 A 88 88 MET HA H 85 3.630 4.350 -0.720 1
1 1079 . 8 1 1 A 88 88 MET C C 85 177.500 177.668 -0.168 1
1 1080 . 8 1 1 A 88 88 MET CA C 85 58.800 57.491 1.309 1
1 1081 . 8 1 1 A 88 88 MET CB C 85 33.800 32.579 1.221 1
1 1084 . 8 1 1 A 88 88 MET N N 85 130.500 125.444 5.056 1
1 1085 . 8 1 1 A 89 89 GLU H H 86 9.160 7.579 1.581 1
1 1086 . 8 1 1 A 89 89 GLU HA H 86 3.770 4.311 -0.541 1
1 1091 . 8 1 1 A 89 89 GLU C C 86 177.500 177.617 -0.117 1
1 1092 . 8 1 1 A 89 89 GLU CA C 86 60.900 57.887 3.013 1
1 1093 . 8 1 1 A 89 89 GLU CB C 86 29.300 30.176 -0.876 1
1 1095 . 8 1 1 A 89 89 GLU N N 86 119.200 118.250 0.950 1
1 1096 . 8 1 1 A 90 90 ASP H H 87 7.080 7.568 -0.488 1
1 1097 . 8 1 1 A 90 90 ASP HA H 87 4.590 5.181 -0.591 1
1 1100 . 8 1 1 A 90 90 ASP CA C 87 54.700 54.384 0.316 1
1 1101 . 8 1 1 A 90 90 ASP CB C 87 41.800 41.557 0.243 1
1 1102 . 8 1 1 A 90 90 ASP N N 87 115.800 117.330 -1.530 1
1 1103 . 8 1 1 A 91 91 GLU H H 88 9.340 8.011 1.329 1
1 1104 . 8 1 1 A 91 91 GLU HA H 88 4.290 4.488 -0.198 1
1 1109 . 8 1 1 A 91 91 GLU C C 88 178.900 178.521 0.379 1
1 1110 . 8 1 1 A 91 91 GLU CA C 88 59.000 60.404 -1.404 1
1 1111 . 8 1 1 A 91 91 GLU CB C 88 29.100 29.742 -0.642 1
1 1113 . 8 1 1 A 91 91 GLU N N 88 127.400 121.315 6.085 1
1 1114 . 8 1 1 A 92 92 GLN H H 89 8.920 8.901 0.019 1
1 1115 . 8 1 1 A 92 92 GLN HA H 89 4.170 4.239 -0.069 1
1 1122 . 8 1 1 A 92 92 GLN C C 89 176.600 176.127 0.473 1
1 1123 . 8 1 1 A 92 92 GLN CA C 89 57.800 58.157 -0.357 1
1 1124 . 8 1 1 A 92 92 GLN CB C 89 28.400 28.223 0.177 1
1 1127 . 8 1 1 A 92 92 GLN N N 89 120.400 117.214 3.186 1
1 1129 . 8 1 1 A 93 93 PHE H H 90 8.150 8.022 0.128 1
1 1130 . 8 1 1 A 93 93 PHE HA H 90 4.430 4.716 -0.286 1
1 1138 . 8 1 1 A 93 93 PHE C C 90 172.600 173.570 -0.970 1
1 1139 . 8 1 1 A 93 93 PHE CA C 90 57.800 56.351 1.449 1
1 1140 . 8 1 1 A 93 93 PHE CB C 90 39.300 39.090 0.210 1
1 1146 . 8 1 1 A 93 93 PHE N N 90 119.700 120.640 -0.940 1
1 1147 . 8 1 1 A 94 94 SER H H 91 7.020 8.218 -1.198 1
1 1148 . 8 1 1 A 94 94 SER HA H 91 4.870 4.675 0.195 1
1 1152 . 8 1 1 A 94 94 SER C C 91 174.100 174.218 -0.118 1
1 1153 . 8 1 1 A 94 94 SER CA C 91 60.900 57.872 3.028 1
1 1154 . 8 1 1 A 94 94 SER CB C 91 63.600 64.748 -1.148 1
1 1155 . 8 1 1 A 94 94 SER N N 91 112.700 116.462 -3.762 1
1 1156 . 8 1 1 A 95 95 VAL H H 92 9.120 8.226 0.894 1
1 1157 . 8 1 1 A 95 95 VAL HA H 92 4.810 4.292 0.518 1
1 1165 . 8 1 1 A 95 95 VAL C C 92 175.700 175.321 0.379 1
1 1166 . 8 1 1 A 95 95 VAL CA C 92 59.200 60.624 -1.424 1
1 1167 . 8 1 1 A 95 95 VAL CB C 92 35.700 33.446 2.254 1
1 1170 . 8 1 1 A 95 95 VAL N N 92 116.900 115.714 1.186 1
1 1171 . 8 1 1 A 96 96 LYS H H 93 8.390 8.357 0.033 1
1 1172 . 8 1 1 A 96 96 LYS HA H 93 4.010 4.333 -0.323 1
1 1181 . 8 1 1 A 96 96 LYS C C 93 174.800 176.005 -1.205 1
1 1182 . 8 1 1 A 96 96 LYS CA C 93 57.700 56.103 1.597 1
1 1183 . 8 1 1 A 96 96 LYS CB C 93 34.000 32.324 1.676 1
1 1187 . 8 1 1 A 96 96 LYS N N 93 120.300 123.310 -3.010 1
1 1188 . 8 1 1 A 97 97 HIS H H 94 8.030 8.710 -0.680 1
1 1189 . 8 1 1 A 97 97 HIS HA H 94 5.060 4.885 0.175 1
1 1194 . 8 1 1 A 97 97 HIS C C 94 172.600 173.255 -0.655 1
1 1195 . 8 1 1 A 97 97 HIS CA C 94 54.700 55.335 -0.635 1
1 1196 . 8 1 1 A 97 97 HIS CB C 94 31.400 30.825 0.575 1
1 1199 . 8 1 1 A 97 97 HIS N N 94 121.000 127.462 -6.462 1
1 1200 . 8 1 1 A 98 98 TYR H H 95 7.610 9.494 -1.884 1
1 1201 . 8 1 1 A 98 98 TYR HA H 95 4.410 4.576 -0.166 1
1 1208 . 8 1 1 A 98 98 TYR C C 95 173.600 175.508 -1.908 1
1 1209 . 8 1 1 A 98 98 TYR CA C 95 56.400 57.133 -0.733 1
1 1210 . 8 1 1 A 98 98 TYR CB C 95 40.900 39.839 1.061 1
1 1215 . 8 1 1 A 98 98 TYR N N 95 121.800 126.621 -4.821 1
1 1216 . 8 1 1 A 99 99 GLU H H 96 8.480 8.443 0.037 1
1 1217 . 8 1 1 A 99 99 GLU HA H 96 4.420 4.498 -0.078 1
1 1222 . 8 1 1 A 99 99 GLU C C 96 174.300 175.736 -1.436 1
1 1223 . 8 1 1 A 99 99 GLU CA C 96 56.600 56.390 0.210 1
1 1224 . 8 1 1 A 99 99 GLU CB C 96 30.700 30.109 0.591 1
1 1226 . 8 1 1 A 99 99 GLU N N 96 122.200 122.437 -0.237 1
1 1227 . 8 1 1 A 100 100 ALA H H 97 8.420 8.921 -0.501 1
1 1228 . 8 1 1 A 100 100 ALA HA H 97 5.940 5.846 0.094 1
1 1232 . 8 1 1 A 100 100 ALA C C 97 176.100 175.982 0.118 1
1 1233 . 8 1 1 A 100 100 ALA CA C 97 50.400 50.059 0.341 1
1 1234 . 8 1 1 A 100 100 ALA CB C 97 23.700 23.098 0.602 1
1 1235 . 8 1 1 A 100 100 ALA N N 97 124.100 128.430 -4.330 1
1 1236 . 8 1 1 A 101 101 ARG H H 98 9.000 8.994 0.006 1
1 1237 . 8 1 1 A 101 101 ARG HA H 98 4.640 5.105 -0.465 1
1 1245 . 8 1 1 A 101 101 ARG C C 98 172.100 174.103 -2.003 1
1 1246 . 8 1 1 A 101 101 ARG CA C 98 54.200 54.493 -0.293 1
1 1247 . 8 1 1 A 101 101 ARG CB C 98 32.800 33.972 -1.172 1
1 1250 . 8 1 1 A 101 101 ARG N N 98 118.400 117.200 1.200 1
1 1252 . 8 1 1 A 102 102 VAL H H 99 8.330 8.866 -0.536 1
1 1253 . 8 1 1 A 102 102 VAL HA H 99 4.720 4.412 0.308 1
1 1261 . 8 1 1 A 102 102 VAL C C 99 175.200 174.337 0.863 1
1 1262 . 8 1 1 A 102 102 VAL CA C 99 61.100 61.829 -0.729 1
1 1263 . 8 1 1 A 102 102 VAL CB C 99 32.700 31.773 0.927 1
1 1266 . 8 1 1 A 102 102 VAL N N 99 119.500 122.622 -3.122 1
1 1267 . 8 1 1 A 103 103 LYS H H 100 9.070 9.206 -0.136 1
1 1268 . 8 1 1 A 103 103 LYS HA H 100 4.460 4.445 0.015 1
1 1277 . 8 1 1 A 103 103 LYS C C 100 175.700 175.862 -0.162 1
1 1278 . 8 1 1 A 103 103 LYS CA C 100 54.300 55.072 -0.772 1
1 1279 . 8 1 1 A 103 103 LYS CB C 100 34.800 33.097 1.703 1
1 1283 . 8 1 1 A 103 103 LYS N N 100 130.200 128.158 2.042 1
1 1284 . 8 1 1 A 104 104 ASP H H 101 9.560 9.475 0.085 1
1 1285 . 8 1 1 A 104 104 ASP HA H 101 4.210 4.341 -0.131 1
1 1288 . 8 1 1 A 104 104 ASP C C 101 175.800 176.126 -0.326 1
1 1289 . 8 1 1 A 104 104 ASP CA C 101 55.500 55.316 0.184 1
1 1290 . 8 1 1 A 104 104 ASP CB C 101 39.700 39.145 0.555 1
1 1291 . 8 1 1 A 104 104 ASP N N 101 130.600 127.342 3.258 1
1 1292 . 8 1 1 A 105 105 GLY H H 102 8.260 8.279 -0.019 1
1 1293 . 8 1 1 A 105 105 GLY HA2 H 102 3.450 3.964 -0.514 1
1 1294 . 8 1 1 A 105 105 GLY HA3 H 102 4.170 3.967 0.203 1
1 1295 . 8 1 1 A 105 105 GLY C C 102 173.300 173.791 -0.491 1
1 1296 . 8 1 1 A 105 105 GLY CA C 102 45.300 44.967 0.333 1
1 1297 . 8 1 1 A 105 105 GLY N N 102 101.900 105.264 -3.364 1
1 1298 . 8 1 1 A 106 106 VAL H H 103 7.900 7.967 -0.067 1
1 1299 . 8 1 1 A 106 106 VAL HA H 103 4.270 4.152 0.118 1
1 1307 . 8 1 1 A 106 106 VAL C C 103 175.100 174.697 0.403 1
1 1308 . 8 1 1 A 106 106 VAL CA C 103 62.100 62.302 -0.202 1
1 1309 . 8 1 1 A 106 106 VAL CB C 103 34.100 32.764 1.336 1
1 1312 . 8 1 1 A 106 106 VAL N N 103 123.800 122.336 1.464 1
1 1313 . 8 1 1 A 107 107 VAL H H 104 9.290 9.135 0.155 1
1 1314 . 8 1 1 A 107 107 VAL HA H 104 4.220 4.220 0.000 1
1 1322 . 8 1 1 A 107 107 VAL C C 104 174.300 175.359 -1.059 1
1 1323 . 8 1 1 A 107 107 VAL CA C 104 62.700 62.583 0.117 1
1 1324 . 8 1 1 A 107 107 VAL CB C 104 31.500 31.589 -0.089 1
1 1327 . 8 1 1 A 107 107 VAL N N 104 127.300 128.458 -1.158 1
1 1328 . 8 1 1 A 108 108 GLN H H 105 9.410 9.027 0.383 1
1 1329 . 8 1 1 A 108 108 GLN HA H 105 5.720 5.370 0.350 1
1 1336 . 8 1 1 A 108 108 GLN C C 105 174.900 174.719 0.181 1
1 1337 . 8 1 1 A 108 108 GLN CA C 105 53.400 54.562 -1.162 1
1 1338 . 8 1 1 A 108 108 GLN CB C 105 34.600 31.904 2.696 1
1 1341 . 8 1 1 A 108 108 GLN N N 105 126.500 127.435 -0.935 1
1 1343 . 8 1 1 A 109 109 LEU H H 106 8.530 9.260 -0.730 1
1 1344 . 8 1 1 A 109 109 LEU HA H 106 5.760 5.106 0.654 1
1 1354 . 8 1 1 A 109 109 LEU C C 106 176.300 175.149 1.151 1
1 1355 . 8 1 1 A 109 109 LEU CA C 106 52.800 53.471 -0.671 1
1 1356 . 8 1 1 A 109 109 LEU CB C 106 48.900 44.269 4.631 1
1 1360 . 8 1 1 A 109 109 LEU N N 106 118.900 124.159 -5.259 1
1 1361 . 8 1 1 A 110 110 ARG H H 107 8.310 9.161 -0.851 1
1 1362 . 8 1 1 A 110 110 ARG HA H 107 4.230 4.722 -0.492 1
1 1370 . 8 1 1 A 110 110 ARG C C 107 174.800 175.347 -0.547 1
1 1371 . 8 1 1 A 110 110 ARG CA C 107 55.700 53.876 1.824 1
1 1372 . 8 1 1 A 110 110 ARG CB C 107 31.900 31.505 0.395 1
1 1375 . 8 1 1 A 110 110 ARG N N 107 119.900 125.055 -5.155 1
1 1377 . 8 1 1 A 111 111 GLY H H 108 8.390 8.267 0.123 1
1 1378 . 8 1 1 A 111 111 GLY HA2 H 108 3.880 4.326 -0.446 1
1 1379 . 8 1 1 A 111 111 GLY HA3 H 108 4.130 4.571 -0.441 1
1 1380 . 8 1 1 A 111 111 GLY C C 108 173.500 173.973 -0.473 1
1 1381 . 8 1 1 A 111 111 GLY CA C 108 45.000 45.709 -0.709 1
1 1382 . 8 1 1 A 111 111 GLY N N 108 110.000 112.949 -2.949 1
1 1383 . 8 1 1 A 112 112 GLY H H 109 8.280 8.547 -0.267 1
1 1384 . 8 1 1 A 112 112 GLY HA2 H 109 3.850 3.896 -0.046 1
1 1385 . 8 1 1 A 112 112 GLY HA3 H 109 3.950 3.900 0.050 1
1 1386 . 8 1 1 A 112 112 GLY C C 109 173.200 174.103 -0.903 1
1 1387 . 8 1 1 A 112 112 GLY CA C 109 45.100 46.853 -1.753 1
1 1388 . 8 1 1 A 112 112 GLY N N 109 108.400 110.437 -2.037 1
1 10 . 9 1 1 A 5 5 SER H H 2 8.360 8.740 -0.380 1
1 11 . 9 1 1 A 5 5 SER HA H 2 4.400 4.565 -0.165 1
1 14 . 9 1 1 A 5 5 SER C C 2 174.100 174.407 -0.307 1
1 15 . 9 1 1 A 5 5 SER CA C 2 58.200 58.974 -0.774 1
1 16 . 9 1 1 A 5 5 SER CB C 2 63.700 65.616 -1.916 1
1 17 . 9 1 1 A 5 5 SER N N 2 117.000 116.187 0.813 1
1 18 . 9 1 1 A 6 6 GLN H H 3 8.280 8.054 0.226 1
1 19 . 9 1 1 A 6 6 GLN HA H 3 4.320 3.984 0.336 1
1 26 . 9 1 1 A 6 6 GLN C C 3 175.500 174.732 0.768 1
1 27 . 9 1 1 A 6 6 GLN CA C 3 55.400 56.593 -1.193 1
1 28 . 9 1 1 A 6 6 GLN CB C 3 30.100 27.095 3.005 1
1 31 . 9 1 1 A 6 6 GLN N N 3 121.800 119.626 2.174 1
1 33 . 9 1 1 A 7 7 TRP H H 4 8.170 7.954 0.216 1
1 34 . 9 1 1 A 7 7 TRP HA H 4 4.470 5.040 -0.570 1
1 43 . 9 1 1 A 7 7 TRP C C 4 176.200 175.526 0.674 1
1 44 . 9 1 1 A 7 7 TRP CA C 4 57.600 56.606 0.994 1
1 45 . 9 1 1 A 7 7 TRP CB C 4 30.300 28.235 2.065 1
1 51 . 9 1 1 A 7 7 TRP N N 4 122.300 122.847 -0.547 1
1 53 . 9 1 1 A 8 8 LYS H H 5 9.370 8.625 0.745 1
1 54 . 9 1 1 A 8 8 LYS HA H 5 4.690 4.798 -0.108 1
1 63 . 9 1 1 A 8 8 LYS C C 5 175.600 175.956 -0.356 1
1 64 . 9 1 1 A 8 8 LYS CA C 5 54.200 55.227 -1.027 1
1 65 . 9 1 1 A 8 8 LYS CB C 5 34.700 34.396 0.304 1
1 69 . 9 1 1 A 8 8 LYS N N 5 125.100 126.557 -1.457 1
1 70 . 9 1 1 A 9 9 ASP H H 6 8.730 8.730 0.000 1
1 71 . 9 1 1 A 9 9 ASP HA H 6 4.500 4.925 -0.425 1
1 74 . 9 1 1 A 9 9 ASP C C 6 176.200 175.677 0.523 1
1 75 . 9 1 1 A 9 9 ASP CA C 6 55.400 54.489 0.911 1
1 76 . 9 1 1 A 9 9 ASP CB C 6 40.700 41.377 -0.677 1
1 77 . 9 1 1 A 9 9 ASP N N 6 125.400 126.206 -0.806 1
1 78 . 9 1 1 A 10 10 ILE H H 7 9.300 9.607 -0.307 1
1 79 . 9 1 1 A 10 10 ILE HA H 7 4.300 4.147 0.153 1
1 89 . 9 1 1 A 10 10 ILE C C 7 175.500 176.139 -0.639 1
1 90 . 9 1 1 A 10 10 ILE CA C 7 60.000 62.744 -2.744 1
1 91 . 9 1 1 A 10 10 ILE CB C 7 37.700 38.194 -0.494 1
1 95 . 9 1 1 A 10 10 ILE N N 7 122.900 123.372 -0.472 1
1 96 . 9 1 1 A 11 11 CYS H H 8 7.510 7.715 -0.205 1
1 97 . 9 1 1 A 11 11 CYS HA H 8 4.880 4.773 0.107 1
1 100 . 9 1 1 A 11 11 CYS C C 8 172.300 173.426 -1.126 1
1 101 . 9 1 1 A 11 11 CYS CA C 8 55.700 57.020 -1.320 1
1 102 . 9 1 1 A 11 11 CYS CB C 8 28.800 30.501 -1.701 1
1 103 . 9 1 1 A 11 11 CYS N N 8 111.400 116.209 -4.809 1
1 104 . 9 1 1 A 12 12 LYS H H 9 8.920 8.191 0.729 1
1 105 . 9 1 1 A 12 12 LYS HA H 9 4.880 4.435 0.445 1
1 114 . 9 1 1 A 12 12 LYS C C 9 179.400 177.995 1.405 1
1 115 . 9 1 1 A 12 12 LYS CA C 9 55.700 56.321 -0.621 1
1 116 . 9 1 1 A 12 12 LYS CB C 9 32.100 33.078 -0.978 1
1 120 . 9 1 1 A 12 12 LYS N N 9 120.100 119.777 0.323 1
1 121 . 9 1 1 A 13 13 ILE H H 10 8.640 9.174 -0.534 1
1 122 . 9 1 1 A 13 13 ILE HA H 10 3.990 4.021 -0.031 1
1 132 . 9 1 1 A 13 13 ILE C C 10 174.900 176.747 -1.847 1
1 133 . 9 1 1 A 13 13 ILE CA C 10 61.000 63.331 -2.331 1
1 134 . 9 1 1 A 13 13 ILE CB C 10 37.800 38.127 -0.327 1
1 138 . 9 1 1 A 13 13 ILE N N 10 123.700 125.064 -1.364 1
1 139 . 9 1 1 A 14 14 ASP H H 11 7.600 8.177 -0.577 1
1 140 . 9 1 1 A 14 14 ASP HA H 11 4.350 4.352 -0.002 1
1 143 . 9 1 1 A 14 14 ASP C C 11 176.500 177.736 -1.236 1
1 144 . 9 1 1 A 14 14 ASP CA C 11 55.400 57.104 -1.704 1
1 145 . 9 1 1 A 14 14 ASP CB C 11 40.400 41.179 -0.779 1
1 146 . 9 1 1 A 14 14 ASP N N 11 115.800 121.715 -5.915 1
1 147 . 9 1 1 A 15 15 ASP H H 12 7.600 7.758 -0.158 1
1 148 . 9 1 1 A 15 15 ASP HA H 12 4.490 4.593 -0.103 1
1 151 . 9 1 1 A 15 15 ASP C C 12 175.600 176.361 -0.761 1
1 152 . 9 1 1 A 15 15 ASP CA C 12 55.500 56.194 -0.694 1
1 153 . 9 1 1 A 15 15 ASP CB C 12 40.900 41.318 -0.418 1
1 154 . 9 1 1 A 15 15 ASP N N 12 116.800 117.086 -0.286 1
1 155 . 9 1 1 A 16 16 ILE H H 13 7.700 7.968 -0.268 1
1 156 . 9 1 1 A 16 16 ILE HA H 13 4.000 4.267 -0.267 1
1 166 . 9 1 1 A 16 16 ILE C C 13 174.100 174.952 -0.852 1
1 167 . 9 1 1 A 16 16 ILE CA C 13 60.500 60.793 -0.293 1
1 168 . 9 1 1 A 16 16 ILE CB C 13 38.200 38.286 -0.086 1
1 172 . 9 1 1 A 16 16 ILE N N 13 120.900 119.644 1.256 1
1 173 . 9 1 1 A 17 17 LEU H H 14 7.970 8.798 -0.828 1
1 174 . 9 1 1 A 17 17 LEU HA H 14 4.370 4.540 -0.170 1
1 184 . 9 1 1 A 17 17 LEU CA C 14 53.800 53.684 0.116 1
1 185 . 9 1 1 A 17 17 LEU CB C 14 40.500 40.834 -0.334 1
1 189 . 9 1 1 A 17 17 LEU N N 14 127.800 129.744 -1.944 1
1 190 . 9 1 1 A 18 18 PRO HA H 15 4.080 4.284 -0.204 1
1 197 . 9 1 1 A 18 18 PRO C C 15 175.700 176.711 -1.011 1
1 198 . 9 1 1 A 18 18 PRO CA C 15 64.300 63.523 0.777 1
1 199 . 9 1 1 A 18 18 PRO CB C 15 31.600 31.852 -0.252 1
1 202 . 9 1 1 A 19 19 GLU H H 16 8.930 8.913 0.017 1
1 203 . 9 1 1 A 19 19 GLU HA H 16 3.660 3.891 -0.231 1
1 208 . 9 1 1 A 19 19 GLU C C 16 175.500 174.993 0.507 1
1 209 . 9 1 1 A 19 19 GLU CA C 16 58.300 57.647 0.653 1
1 210 . 9 1 1 A 19 19 GLU CB C 16 27.300 28.378 -1.078 1
1 212 . 9 1 1 A 19 19 GLU N N 16 113.700 115.975 -2.275 1
1 213 . 9 1 1 A 20 20 THR H H 17 7.790 7.220 0.570 1
1 214 . 9 1 1 A 20 20 THR HA H 17 5.080 5.024 0.056 1
1 220 . 9 1 1 A 20 20 THR C C 17 172.100 173.180 -1.080 1
1 221 . 9 1 1 A 20 20 THR CA C 17 60.700 60.088 0.612 1
1 222 . 9 1 1 A 20 20 THR CB C 17 73.100 72.382 0.718 1
1 224 . 9 1 1 A 20 20 THR N N 17 110.000 113.008 -3.008 1
1 225 . 9 1 1 A 21 21 GLY H H 18 8.080 8.743 -0.663 1
1 226 . 9 1 1 A 21 21 GLY HA2 H 18 3.070 4.201 -1.131 1
1 227 . 9 1 1 A 21 21 GLY HA3 H 18 5.270 4.340 0.930 1
1 228 . 9 1 1 A 21 21 GLY C C 18 173.400 172.122 1.278 1
1 229 . 9 1 1 A 21 21 GLY CA C 18 44.600 44.536 0.064 1
1 230 . 9 1 1 A 21 21 GLY N N 18 103.700 112.939 -9.239 1
1 231 . 9 1 1 A 22 22 VAL H H 19 8.520 8.893 -0.373 1
1 232 . 9 1 1 A 22 22 VAL HA H 19 4.570 4.975 -0.405 1
1 240 . 9 1 1 A 22 22 VAL C C 19 172.900 173.535 -0.635 1
1 241 . 9 1 1 A 22 22 VAL CA C 19 58.900 58.664 0.236 1
1 242 . 9 1 1 A 22 22 VAL CB C 19 35.900 35.529 0.371 1
1 245 . 9 1 1 A 22 22 VAL N N 19 112.900 118.658 -5.758 1
1 246 . 9 1 1 A 23 23 CYS H H 20 8.290 8.793 -0.503 1
1 247 . 9 1 1 A 23 23 CYS HA H 20 5.250 5.099 0.151 1
1 250 . 9 1 1 A 23 23 CYS C C 20 173.500 174.080 -0.580 1
1 251 . 9 1 1 A 23 23 CYS CA C 20 56.300 57.219 -0.919 1
1 252 . 9 1 1 A 23 23 CYS CB C 20 27.600 30.004 -2.404 1
1 253 . 9 1 1 A 23 23 CYS N N 20 120.700 121.131 -0.431 1
1 254 . 9 1 1 A 24 24 ALA H H 21 9.590 9.541 0.049 1
1 255 . 9 1 1 A 24 24 ALA HA H 21 4.580 5.181 -0.601 1
1 259 . 9 1 1 A 24 24 ALA C C 21 174.400 175.392 -0.992 1
1 260 . 9 1 1 A 24 24 ALA CA C 21 50.200 50.424 -0.224 1
1 261 . 9 1 1 A 24 24 ALA CB C 21 23.400 23.809 -0.409 1
1 262 . 9 1 1 A 24 24 ALA N N 21 132.500 127.719 4.781 1
1 263 . 9 1 1 A 25 25 LEU H H 22 8.100 9.022 -0.922 1
1 264 . 9 1 1 A 25 25 LEU HA H 22 4.860 5.090 -0.230 1
1 274 . 9 1 1 A 25 25 LEU C C 22 175.800 175.333 0.467 1
1 275 . 9 1 1 A 25 25 LEU CA C 22 53.800 53.446 0.354 1
1 276 . 9 1 1 A 25 25 LEU CB C 22 43.600 44.619 -1.019 1
1 280 . 9 1 1 A 25 25 LEU N N 22 120.700 118.933 1.767 1
1 281 . 9 1 1 A 26 26 LEU H H 23 8.660 8.893 -0.233 1
1 282 . 9 1 1 A 26 26 LEU HA H 23 4.410 4.568 -0.158 1
1 292 . 9 1 1 A 26 26 LEU C C 23 176.600 176.713 -0.113 1
1 293 . 9 1 1 A 26 26 LEU CA C 23 53.100 53.839 -0.739 1
1 294 . 9 1 1 A 26 26 LEU CB C 23 43.400 42.517 0.883 1
1 298 . 9 1 1 A 26 26 LEU N N 23 125.800 125.246 0.554 1
1 299 . 9 1 1 A 27 27 GLY H H 24 8.910 8.869 0.041 1
1 300 . 9 1 1 A 27 27 GLY HA2 H 24 3.560 3.842 -0.282 1
1 301 . 9 1 1 A 27 27 GLY HA3 H 24 4.000 3.843 0.157 1
1 302 . 9 1 1 A 27 27 GLY C C 24 173.800 174.253 -0.453 1
1 303 . 9 1 1 A 27 27 GLY CA C 24 47.300 47.325 -0.025 1
1 304 . 9 1 1 A 27 27 GLY N N 24 118.300 115.245 3.055 1
1 305 . 9 1 1 A 28 28 ASP H H 25 8.800 8.435 0.365 1
1 306 . 9 1 1 A 28 28 ASP HA H 25 4.690 4.820 -0.130 1
1 309 . 9 1 1 A 28 28 ASP C C 25 176.100 175.882 0.218 1
1 310 . 9 1 1 A 28 28 ASP CA C 25 53.900 53.533 0.367 1
1 311 . 9 1 1 A 28 28 ASP CB C 25 41.300 42.452 -1.152 1
1 312 . 9 1 1 A 28 28 ASP N N 25 126.600 125.657 0.943 1
1 313 . 9 1 1 A 29 29 GLU H H 26 8.100 7.609 0.491 1
1 314 . 9 1 1 A 29 29 GLU HA H 26 4.440 4.356 0.084 1
1 319 . 9 1 1 A 29 29 GLU C C 26 174.800 175.898 -1.098 1
1 320 . 9 1 1 A 29 29 GLU CA C 26 55.800 56.286 -0.486 1
1 321 . 9 1 1 A 29 29 GLU CB C 26 30.600 30.072 0.528 1
1 323 . 9 1 1 A 29 29 GLU N N 26 120.400 119.017 1.383 1
1 324 . 9 1 1 A 30 30 GLN H H 27 8.640 8.587 0.053 1
1 325 . 9 1 1 A 30 30 GLN HA H 27 4.510 4.662 -0.152 1
1 332 . 9 1 1 A 30 30 GLN C C 27 175.800 174.932 0.868 1
1 333 . 9 1 1 A 30 30 GLN CA C 27 55.700 55.864 -0.164 1
1 334 . 9 1 1 A 30 30 GLN CB C 27 29.300 29.625 -0.325 1
1 336 . 9 1 1 A 30 30 GLN N N 27 121.300 122.302 -1.002 1
1 338 . 9 1 1 A 31 31 VAL H H 28 9.280 8.645 0.635 1
1 339 . 9 1 1 A 31 31 VAL HA H 28 4.040 4.480 -0.440 1
1 347 . 9 1 1 A 31 31 VAL C C 28 172.900 174.151 -1.251 1
1 348 . 9 1 1 A 31 31 VAL CA C 28 61.900 60.056 1.844 1
1 349 . 9 1 1 A 31 31 VAL CB C 28 34.800 35.150 -0.350 1
1 352 . 9 1 1 A 31 31 VAL N N 28 128.600 124.027 4.573 1
1 353 . 9 1 1 A 32 32 ALA H H 29 9.440 9.311 0.129 1
1 354 . 9 1 1 A 32 32 ALA HA H 29 4.680 4.872 -0.192 1
1 358 . 9 1 1 A 32 32 ALA C C 29 175.200 175.437 -0.237 1
1 359 . 9 1 1 A 32 32 ALA CA C 29 50.500 50.095 0.405 1
1 360 . 9 1 1 A 32 32 ALA CB C 29 20.200 20.354 -0.154 1
1 361 . 9 1 1 A 32 32 ALA N N 29 130.400 128.334 2.066 1
1 362 . 9 1 1 A 33 33 ILE H H 30 8.590 8.818 -0.228 1
1 363 . 9 1 1 A 33 33 ILE HA H 30 4.680 4.754 -0.074 1
1 373 . 9 1 1 A 33 33 ILE C C 30 174.800 174.657 0.143 1
1 374 . 9 1 1 A 33 33 ILE CA C 30 59.900 60.391 -0.491 1
1 375 . 9 1 1 A 33 33 ILE CB C 30 39.300 39.013 0.287 1
1 379 . 9 1 1 A 33 33 ILE N N 30 120.600 123.766 -3.166 1
1 380 . 9 1 1 A 34 34 PHE H H 31 9.430 9.627 -0.197 1
1 381 . 9 1 1 A 34 34 PHE HA H 31 5.070 5.284 -0.214 1
1 386 . 9 1 1 A 34 34 PHE C C 31 174.800 174.405 0.395 1
1 387 . 9 1 1 A 34 34 PHE CA C 31 57.200 56.322 0.878 1
1 388 . 9 1 1 A 34 34 PHE CB C 31 43.400 41.925 1.475 1
1 391 . 9 1 1 A 34 34 PHE N N 31 121.800 126.241 -4.441 1
1 392 . 9 1 1 A 35 35 ARG H H 32 8.450 9.134 -0.684 1
1 393 . 9 1 1 A 35 35 ARG HA H 32 5.470 5.051 0.419 1
1 403 . 9 1 1 A 35 35 ARG CA C 32 52.000 52.508 -0.508 1
1 404 . 9 1 1 A 35 35 ARG CB C 32 33.200 31.541 1.659 1
1 407 . 9 1 1 A 35 35 ARG N N 32 123.000 124.519 -1.519 1
1 410 . 9 1 1 A 36 36 PRO HA H 33 3.910 4.554 -0.644 1
1 417 . 9 1 1 A 36 36 PRO C C 33 174.300 176.044 -1.744 1
1 418 . 9 1 1 A 36 36 PRO CA C 33 64.600 64.939 -0.339 1
1 419 . 9 1 1 A 36 36 PRO CB C 33 32.800 32.138 0.662 1
1 422 . 9 1 1 A 37 37 TYR H H 34 9.000 7.858 1.142 1
1 423 . 9 1 1 A 37 37 TYR HA H 34 5.250 4.875 0.375 1
1 430 . 9 1 1 A 37 37 TYR C C 34 175.000 176.559 -1.559 1
1 431 . 9 1 1 A 37 37 TYR CA C 34 54.200 57.860 -3.660 1
1 432 . 9 1 1 A 37 37 TYR CB C 34 41.000 40.160 0.840 1
1 437 . 9 1 1 A 37 37 TYR N N 34 115.500 118.351 -2.851 1
1 438 . 9 1 1 A 38 38 HIS H H 35 8.700 9.019 -0.319 1
1 439 . 9 1 1 A 38 38 HIS HA H 35 4.490 4.606 -0.116 1
1 444 . 9 1 1 A 38 38 HIS C C 35 175.800 175.435 0.365 1
1 445 . 9 1 1 A 38 38 HIS CA C 35 56.400 58.820 -2.420 1
1 446 . 9 1 1 A 38 38 HIS CB C 35 28.600 29.868 -1.268 1
1 449 . 9 1 1 A 38 38 HIS N N 35 119.000 122.352 -3.352 1
1 450 . 9 1 1 A 39 39 SER H H 36 7.890 8.041 -0.151 1
1 451 . 9 1 1 A 39 39 SER HA H 36 4.770 4.525 0.245 1
1 454 . 9 1 1 A 39 39 SER C C 36 173.800 175.301 -1.501 1
1 455 . 9 1 1 A 39 39 SER CA C 36 57.000 57.056 -0.056 1
1 456 . 9 1 1 A 39 39 SER CB C 36 64.700 63.832 0.868 1
1 457 . 9 1 1 A 39 39 SER N N 36 115.500 112.476 3.024 1
1 458 . 9 1 1 A 40 40 ASP H H 37 8.540 8.597 -0.057 1
1 459 . 9 1 1 A 40 40 ASP HA H 37 4.540 4.668 -0.128 1
1 462 . 9 1 1 A 40 40 ASP C C 37 174.700 176.154 -1.454 1
1 463 . 9 1 1 A 40 40 ASP CA C 37 53.800 53.816 -0.016 1
1 464 . 9 1 1 A 40 40 ASP CB C 37 39.600 39.598 0.002 1
1 465 . 9 1 1 A 40 40 ASP N N 37 119.400 119.207 0.193 1
1 466 . 9 1 1 A 41 41 GLN H H 38 7.490 7.633 -0.143 1
1 467 . 9 1 1 A 41 41 GLN HA H 38 4.140 4.433 -0.293 1
1 474 . 9 1 1 A 41 41 GLN C C 38 175.500 175.382 0.118 1
1 475 . 9 1 1 A 41 41 GLN CA C 38 57.100 55.550 1.550 1
1 476 . 9 1 1 A 41 41 GLN CB C 38 29.400 28.916 0.484 1
1 479 . 9 1 1 A 41 41 GLN N N 38 118.700 119.674 -0.974 1
1 481 . 9 1 1 A 42 42 VAL H H 39 7.800 8.269 -0.469 1
1 482 . 9 1 1 A 42 42 VAL HA H 39 5.600 5.148 0.452 1
1 490 . 9 1 1 A 42 42 VAL C C 39 174.200 174.219 -0.019 1
1 491 . 9 1 1 A 42 42 VAL CA C 39 58.200 59.757 -1.557 1
1 492 . 9 1 1 A 42 42 VAL CB C 39 36.500 34.576 1.924 1
1 495 . 9 1 1 A 42 42 VAL N N 39 116.100 117.429 -1.329 1
1 496 . 9 1 1 A 43 43 PHE H H 40 8.480 9.514 -1.034 1
1 497 . 9 1 1 A 43 43 PHE HA H 40 4.870 5.476 -0.606 1
1 504 . 9 1 1 A 43 43 PHE C C 40 173.900 175.060 -1.160 1
1 505 . 9 1 1 A 43 43 PHE CA C 40 56.800 56.476 0.324 1
1 506 . 9 1 1 A 43 43 PHE CB C 40 45.300 43.279 2.021 1
1 511 . 9 1 1 A 43 43 PHE N N 40 117.200 121.000 -3.800 1
1 512 . 9 1 1 A 44 44 ALA H H 41 9.520 9.083 0.437 1
1 513 . 9 1 1 A 44 44 ALA HA H 41 6.200 5.570 0.630 1
1 517 . 9 1 1 A 44 44 ALA C C 41 176.300 175.897 0.403 1
1 518 . 9 1 1 A 44 44 ALA CA C 41 50.900 50.830 0.070 1
1 519 . 9 1 1 A 44 44 ALA CB C 41 24.100 22.377 1.723 1
1 520 . 9 1 1 A 44 44 ALA N N 41 125.100 123.104 1.996 1
1 521 . 9 1 1 A 45 45 ILE H H 42 8.970 8.847 0.123 1
1 522 . 9 1 1 A 45 45 ILE HA H 42 5.580 5.404 0.176 1
1 532 . 9 1 1 A 45 45 ILE C C 42 174.600 174.941 -0.341 1
1 533 . 9 1 1 A 45 45 ILE CA C 42 59.300 58.843 0.457 1
1 534 . 9 1 1 A 45 45 ILE CB C 42 44.300 42.231 2.069 1
1 538 . 9 1 1 A 45 45 ILE N N 42 117.100 118.446 -1.346 1
1 539 . 9 1 1 A 46 46 SER H H 43 8.460 8.923 -0.463 1
1 540 . 9 1 1 A 46 46 SER HA H 43 4.350 4.642 -0.292 1
1 543 . 9 1 1 A 46 46 SER C C 43 172.100 175.701 -3.601 1
1 544 . 9 1 1 A 46 46 SER CA C 43 59.500 58.226 1.274 1
1 545 . 9 1 1 A 46 46 SER CB C 43 64.900 63.923 0.977 1
1 546 . 9 1 1 A 46 46 SER N N 43 112.400 117.470 -5.070 1
1 547 . 9 1 1 A 47 47 ASN H H 44 7.990 8.811 -0.821 1
1 548 . 9 1 1 A 47 47 ASN HA H 44 4.940 4.597 0.343 1
1 553 . 9 1 1 A 47 47 ASN C C 44 175.800 174.943 0.857 1
1 554 . 9 1 1 A 47 47 ASN CA C 44 53.800 53.658 0.142 1
1 555 . 9 1 1 A 47 47 ASN CB C 44 40.600 37.810 2.790 1
1 556 . 9 1 1 A 47 47 ASN N N 44 117.800 119.047 -1.247 1
1 558 . 9 1 1 A 48 48 ILE H H 45 8.190 7.622 0.568 1
1 559 . 9 1 1 A 48 48 ILE HA H 45 4.100 4.837 -0.737 1
1 569 . 9 1 1 A 48 48 ILE C C 45 175.200 175.303 -0.103 1
1 570 . 9 1 1 A 48 48 ILE CA C 45 59.400 60.313 -0.913 1
1 571 . 9 1 1 A 48 48 ILE CB C 45 36.500 39.236 -2.736 1
1 575 . 9 1 1 A 48 48 ILE N N 45 118.300 121.353 -3.053 1
1 576 . 9 1 1 A 49 49 ASP H H 46 8.720 8.946 -0.226 1
1 577 . 9 1 1 A 49 49 ASP HA H 46 4.530 4.801 -0.271 1
1 580 . 9 1 1 A 49 49 ASP CA C 46 51.400 52.825 -1.425 1
1 581 . 9 1 1 A 49 49 ASP CB C 46 42.900 40.623 2.277 1
1 582 . 9 1 1 A 49 49 ASP N N 46 128.600 127.680 0.920 1
1 583 . 9 1 1 A 50 50 PRO HA H 47 4.500 4.686 -0.186 1
1 590 . 9 1 1 A 50 50 PRO C C 47 177.800 178.196 -0.396 1
1 591 . 9 1 1 A 50 50 PRO CA C 47 63.700 64.216 -0.516 1
1 592 . 9 1 1 A 50 50 PRO CB C 47 32.200 32.251 -0.051 1
1 595 . 9 1 1 A 51 51 PHE H H 48 9.270 8.181 1.089 1
1 596 . 9 1 1 A 51 51 PHE HA H 48 3.980 4.274 -0.294 1
1 601 . 9 1 1 A 51 51 PHE C C 48 177.100 178.069 -0.969 1
1 602 . 9 1 1 A 51 51 PHE CA C 48 61.400 61.810 -0.410 1
1 603 . 9 1 1 A 51 51 PHE CB C 48 37.900 39.832 -1.932 1
1 606 . 9 1 1 A 51 51 PHE N N 48 121.800 118.895 2.905 1
1 607 . 9 1 1 A 52 52 PHE H H 49 7.440 8.197 -0.757 1
1 608 . 9 1 1 A 52 52 PHE HA H 49 4.560 4.462 0.098 1
1 616 . 9 1 1 A 52 52 PHE C C 49 176.100 175.287 0.813 1
1 617 . 9 1 1 A 52 52 PHE CA C 49 58.300 59.642 -1.342 1
1 618 . 9 1 1 A 52 52 PHE CB C 49 42.000 40.419 1.581 1
1 624 . 9 1 1 A 52 52 PHE N N 49 114.500 119.362 -4.862 1
1 625 . 9 1 1 A 53 53 GLU H H 50 8.590 8.238 0.352 1
1 626 . 9 1 1 A 53 53 GLU HA H 50 3.780 4.439 -0.659 1
1 631 . 9 1 1 A 53 53 GLU C C 50 175.000 174.999 0.001 1
1 632 . 9 1 1 A 53 53 GLU CA C 50 57.300 57.387 -0.087 1
1 633 . 9 1 1 A 53 53 GLU CB C 50 27.100 27.480 -0.380 1
1 635 . 9 1 1 A 53 53 GLU N N 50 120.300 118.434 1.866 1
1 636 . 9 1 1 A 54 54 SER H H 51 7.100 7.939 -0.839 1
1 637 . 9 1 1 A 54 54 SER HA H 51 4.910 4.916 -0.006 1
1 640 . 9 1 1 A 54 54 SER CA C 51 56.500 56.131 0.369 1
1 641 . 9 1 1 A 54 54 SER CB C 51 66.100 65.584 0.516 1
1 642 . 9 1 1 A 54 54 SER N N 51 110.300 114.483 -4.183 1
1 643 . 9 1 1 A 55 55 SER HA H 52 4.550 4.428 0.122 1
1 646 . 9 1 1 A 55 55 SER C C 52 173.500 174.677 -1.177 1
1 647 . 9 1 1 A 55 55 SER CA C 52 56.700 59.325 -2.625 1
1 648 . 9 1 1 A 55 55 SER CB C 52 62.100 63.627 -1.527 1
1 649 . 9 1 1 A 56 56 VAL H H 53 7.590 7.503 0.087 1
1 650 . 9 1 1 A 56 56 VAL HA H 53 4.900 4.548 0.352 1
1 658 . 9 1 1 A 56 56 VAL C C 53 176.800 176.033 0.767 1
1 659 . 9 1 1 A 56 56 VAL CA C 53 61.300 60.138 1.162 1
1 660 . 9 1 1 A 56 56 VAL CB C 53 36.200 34.752 1.448 1
1 663 . 9 1 1 A 56 56 VAL N N 53 117.400 116.762 0.638 1
1 664 . 9 1 1 A 57 57 LEU H H 54 8.690 8.666 0.024 1
1 665 . 9 1 1 A 57 57 LEU HA H 54 3.930 4.498 -0.568 1
1 675 . 9 1 1 A 57 57 LEU C C 54 179.500 178.363 1.137 1
1 676 . 9 1 1 A 57 57 LEU CA C 54 60.000 55.550 4.450 1
1 677 . 9 1 1 A 57 57 LEU CB C 54 40.800 42.073 -1.273 1
1 681 . 9 1 1 A 57 57 LEU N N 54 121.100 126.118 -5.018 1
1 682 . 9 1 1 A 58 58 SER H H 55 9.750 8.216 1.534 1
1 683 . 9 1 1 A 58 58 SER HA H 55 3.800 4.712 -0.912 1
1 686 . 9 1 1 A 58 58 SER C C 55 174.100 175.023 -0.923 1
1 687 . 9 1 1 A 58 58 SER CA C 55 61.600 59.961 1.639 1
1 688 . 9 1 1 A 58 58 SER CB C 55 61.900 63.117 -1.217 1
1 689 . 9 1 1 A 58 58 SER N N 55 113.400 114.372 -0.972 1
1 690 . 9 1 1 A 59 59 ARG H H 56 7.510 7.689 -0.179 1
1 691 . 9 1 1 A 59 59 ARG HA H 56 4.560 4.552 0.008 1
1 698 . 9 1 1 A 59 59 ARG C C 56 177.500 175.282 2.218 1
1 699 . 9 1 1 A 59 59 ARG CA C 56 55.400 55.096 0.304 1
1 700 . 9 1 1 A 59 59 ARG CB C 56 30.400 30.417 -0.017 1
1 703 . 9 1 1 A 59 59 ARG N N 56 118.400 120.834 -2.434 1
1 704 . 9 1 1 A 60 60 GLY H H 57 8.550 7.940 0.610 1
1 705 . 9 1 1 A 60 60 GLY HA2 H 57 4.020 4.301 -0.281 1
1 706 . 9 1 1 A 60 60 GLY HA3 H 57 4.020 4.317 -0.297 1
1 707 . 9 1 1 A 60 60 GLY C C 57 171.200 171.999 -0.799 1
1 708 . 9 1 1 A 60 60 GLY CA C 57 45.400 44.302 1.098 1
1 709 . 9 1 1 A 60 60 GLY N N 57 108.600 109.281 -0.681 1
1 710 . 9 1 1 A 61 61 LEU H H 58 7.740 9.155 -1.415 1
1 711 . 9 1 1 A 61 61 LEU HA H 58 4.640 4.926 -0.286 1
1 721 . 9 1 1 A 61 61 LEU C C 58 177.000 176.315 0.685 1
1 722 . 9 1 1 A 61 61 LEU CA C 58 54.200 53.884 0.316 1
1 723 . 9 1 1 A 61 61 LEU CB C 58 43.700 43.894 -0.194 1
1 727 . 9 1 1 A 61 61 LEU N N 58 119.100 121.828 -2.728 1
1 728 . 9 1 1 A 62 62 ILE H H 59 8.780 8.637 0.143 1
1 729 . 9 1 1 A 62 62 ILE HA H 59 4.660 4.530 0.130 1
1 739 . 9 1 1 A 62 62 ILE C C 59 175.500 175.362 0.138 1
1 740 . 9 1 1 A 62 62 ILE CA C 59 60.600 60.809 -0.209 1
1 741 . 9 1 1 A 62 62 ILE CB C 59 38.700 38.179 0.521 1
1 745 . 9 1 1 A 62 62 ILE N N 59 126.500 124.141 2.359 1
1 746 . 9 1 1 A 63 63 ALA H H 60 9.110 9.182 -0.072 1
1 747 . 9 1 1 A 63 63 ALA HA H 60 4.590 5.138 -0.548 1
1 751 . 9 1 1 A 63 63 ALA C C 60 175.000 174.827 0.173 1
1 752 . 9 1 1 A 63 63 ALA CA C 60 51.300 50.041 1.259 1
1 753 . 9 1 1 A 63 63 ALA CB C 60 23.100 24.131 -1.031 1
1 754 . 9 1 1 A 63 63 ALA N N 60 129.300 129.458 -0.158 1
1 755 . 9 1 1 A 64 64 GLU H H 61 8.460 8.756 -0.296 1
1 756 . 9 1 1 A 64 64 GLU HA H 61 5.070 5.023 0.047 1
1 761 . 9 1 1 A 64 64 GLU C C 61 176.000 176.407 -0.407 1
1 762 . 9 1 1 A 64 64 GLU CA C 61 55.100 55.158 -0.058 1
1 763 . 9 1 1 A 64 64 GLU CB C 61 31.200 31.400 -0.200 1
1 765 . 9 1 1 A 64 64 GLU N N 61 121.500 119.967 1.533 1
1 766 . 9 1 1 A 65 65 HIS H H 62 9.310 9.069 0.241 1
1 767 . 9 1 1 A 65 65 HIS HA H 62 4.740 4.158 0.582 1
1 772 . 9 1 1 A 65 65 HIS CA C 62 56.400 58.963 -2.563 1
1 773 . 9 1 1 A 65 65 HIS CB C 62 32.600 30.775 1.825 1
1 776 . 9 1 1 A 65 65 HIS N N 62 123.500 126.327 -2.827 1
1 777 . 9 1 1 A 66 66 GLN HA H 63 3.870 4.362 -0.492 1
1 784 . 9 1 1 A 66 66 GLN C C 63 176.000 175.446 0.554 1
1 785 . 9 1 1 A 66 66 GLN CA C 63 56.600 55.002 1.598 1
1 786 . 9 1 1 A 66 66 GLN CB C 63 26.800 29.080 -2.280 1
1 790 . 9 1 1 A 67 67 GLY H H 64 8.970 9.178 -0.208 1
1 791 . 9 1 1 A 67 67 GLY HA2 H 64 3.680 3.993 -0.313 1
1 792 . 9 1 1 A 67 67 GLY HA3 H 64 4.140 4.002 0.138 1
1 793 . 9 1 1 A 67 67 GLY C C 64 173.800 173.986 -0.186 1
1 794 . 9 1 1 A 67 67 GLY CA C 64 45.600 45.252 0.348 1
1 795 . 9 1 1 A 67 67 GLY N N 64 104.200 114.286 -10.086 1
1 796 . 9 1 1 A 68 68 GLU H H 65 7.850 7.994 -0.144 1
1 797 . 9 1 1 A 68 68 GLU HA H 65 4.810 4.575 0.235 1
1 802 . 9 1 1 A 68 68 GLU C C 65 174.400 175.723 -1.323 1
1 803 . 9 1 1 A 68 68 GLU CA C 65 54.100 55.955 -1.855 1
1 804 . 9 1 1 A 68 68 GLU CB C 65 34.000 31.205 2.795 1
1 806 . 9 1 1 A 68 68 GLU N N 65 118.800 120.720 -1.920 1
1 807 . 9 1 1 A 69 69 LEU H H 66 8.030 8.677 -0.647 1
1 808 . 9 1 1 A 69 69 LEU HA H 66 4.920 4.986 -0.066 1
1 818 . 9 1 1 A 69 69 LEU C C 66 177.100 175.841 1.259 1
1 819 . 9 1 1 A 69 69 LEU CA C 66 54.300 53.399 0.901 1
1 820 . 9 1 1 A 69 69 LEU CB C 66 44.500 42.450 2.050 1
1 824 . 9 1 1 A 69 69 LEU N N 66 119.000 123.582 -4.582 1
1 825 . 9 1 1 A 70 70 TRP H H 67 8.980 9.624 -0.644 1
1 826 . 9 1 1 A 70 70 TRP HA H 67 5.140 5.489 -0.349 1
1 835 . 9 1 1 A 70 70 TRP C C 67 174.400 175.194 -0.794 1
1 836 . 9 1 1 A 70 70 TRP CA C 67 55.100 55.532 -0.432 1
1 837 . 9 1 1 A 70 70 TRP CB C 67 31.800 32.796 -0.996 1
1 843 . 9 1 1 A 70 70 TRP N N 67 122.200 124.676 -2.476 1
1 845 . 9 1 1 A 71 71 VAL H H 68 9.490 9.121 0.369 1
1 846 . 9 1 1 A 71 71 VAL HA H 68 4.990 4.610 0.380 1
1 854 . 9 1 1 A 71 71 VAL C C 68 173.000 173.986 -0.986 1
1 855 . 9 1 1 A 71 71 VAL CA C 68 58.500 60.198 -1.698 1
1 856 . 9 1 1 A 71 71 VAL CB C 68 34.300 33.392 0.908 1
1 859 . 9 1 1 A 71 71 VAL N N 68 120.900 123.632 -2.732 1
1 860 . 9 1 1 A 72 72 ALA H H 69 8.550 9.482 -0.932 1
1 861 . 9 1 1 A 72 72 ALA HA H 69 5.280 5.133 0.147 1
1 865 . 9 1 1 A 72 72 ALA C C 69 178.000 175.598 2.402 1
1 866 . 9 1 1 A 72 72 ALA CA C 69 49.200 50.237 -1.037 1
1 867 . 9 1 1 A 72 72 ALA CB C 69 19.700 20.416 -0.716 1
1 868 . 9 1 1 A 72 72 ALA N N 69 130.000 131.697 -1.697 1
1 869 . 9 1 1 A 73 73 SER H H 70 9.470 9.052 0.418 1
1 870 . 9 1 1 A 73 73 SER HA H 70 4.540 4.709 -0.169 1
1 873 . 9 1 1 A 73 73 SER CA C 70 55.700 56.435 -0.735 1
1 874 . 9 1 1 A 73 73 SER CB C 70 64.400 63.369 1.031 1
1 875 . 9 1 1 A 73 73 SER N N 70 118.100 122.345 -4.245 1
1 876 . 9 1 1 A 74 74 PRO HA H 71 4.540 4.504 0.036 1
1 883 . 9 1 1 A 74 74 PRO C C 71 176.700 177.740 -1.040 1
1 884 . 9 1 1 A 74 74 PRO CA C 71 64.000 63.701 0.299 1
1 885 . 9 1 1 A 74 74 PRO CB C 71 32.300 31.990 0.310 1
1 888 . 9 1 1 A 75 75 LEU H H 72 7.850 8.052 -0.202 1
1 889 . 9 1 1 A 75 75 LEU HA H 72 4.330 3.987 0.343 1
1 899 . 9 1 1 A 75 75 LEU CA C 72 56.200 58.052 -1.852 1
1 900 . 9 1 1 A 75 75 LEU CB C 72 38.500 41.649 -3.149 1
1 904 . 9 1 1 A 75 75 LEU N N 72 119.300 118.465 0.835 1
1 905 . 9 1 1 A 76 76 LYS HA H 73 4.470 4.417 0.053 1
1 914 . 9 1 1 A 76 76 LYS C C 73 176.600 175.990 0.610 1
1 915 . 9 1 1 A 76 76 LYS CA C 73 54.600 54.774 -0.174 1
1 916 . 9 1 1 A 76 76 LYS CB C 73 31.700 32.373 -0.673 1
1 920 . 9 1 1 A 77 77 LYS H H 74 7.240 7.760 -0.520 1
1 921 . 9 1 1 A 77 77 LYS HA H 74 4.440 3.752 0.688 1
1 930 . 9 1 1 A 77 77 LYS C C 74 175.500 176.123 -0.623 1
1 931 . 9 1 1 A 77 77 LYS CA C 74 57.800 57.567 0.233 1
1 932 . 9 1 1 A 77 77 LYS CB C 74 28.600 31.119 -2.519 1
1 936 . 9 1 1 A 77 77 LYS N N 74 110.900 117.469 -6.569 1
1 937 . 9 1 1 A 78 78 GLN H H 75 8.080 7.803 0.277 1
1 938 . 9 1 1 A 78 78 GLN HA H 75 4.030 4.261 -0.231 1
1 945 . 9 1 1 A 78 78 GLN C C 75 174.500 175.024 -0.524 1
1 946 . 9 1 1 A 78 78 GLN CA C 75 58.400 55.941 2.459 1
1 947 . 9 1 1 A 78 78 GLN CB C 75 27.400 29.283 -1.883 1
1 949 . 9 1 1 A 78 78 GLN N N 75 119.100 117.885 1.215 1
1 951 . 9 1 1 A 79 79 ARG H H 76 9.800 8.953 0.847 1
1 952 . 9 1 1 A 79 79 ARG HA H 76 5.310 5.547 -0.237 1
1 960 . 9 1 1 A 79 79 ARG C C 76 175.800 174.593 1.207 1
1 961 . 9 1 1 A 79 79 ARG CA C 76 55.300 54.581 0.719 1
1 962 . 9 1 1 A 79 79 ARG CB C 76 33.100 33.655 -0.555 1
1 965 . 9 1 1 A 79 79 ARG N N 76 122.800 123.088 -0.288 1
1 967 . 9 1 1 A 80 80 PHE H H 77 9.220 9.059 0.161 1
1 968 . 9 1 1 A 80 80 PHE HA H 77 5.630 5.052 0.578 1
1 976 . 9 1 1 A 80 80 PHE C C 77 175.300 174.045 1.255 1
1 977 . 9 1 1 A 80 80 PHE CA C 77 55.800 56.078 -0.278 1
1 978 . 9 1 1 A 80 80 PHE CB C 77 41.300 42.472 -1.172 1
1 984 . 9 1 1 A 80 80 PHE N N 77 119.400 121.692 -2.292 1
1 985 . 9 1 1 A 81 81 ARG H H 78 9.870 8.847 1.023 1
1 986 . 9 1 1 A 81 81 ARG HA H 78 3.490 3.476 0.014 1
1 996 . 9 1 1 A 81 81 ARG C C 78 177.400 175.830 1.570 1
1 997 . 9 1 1 A 81 81 ARG CA C 78 58.100 55.565 2.535 1
1 998 . 9 1 1 A 81 81 ARG CB C 78 30.500 29.255 1.245 1
1 1001 . 9 1 1 A 81 81 ARG N N 78 130.100 124.218 5.882 1
1 1004 . 9 1 1 A 82 82 LEU H H 79 7.860 8.301 -0.441 1
1 1005 . 9 1 1 A 82 82 LEU HA H 79 3.790 3.961 -0.171 1
1 1015 . 9 1 1 A 82 82 LEU C C 79 177.500 178.904 -1.404 1
1 1016 . 9 1 1 A 82 82 LEU CA C 79 57.600 57.147 0.453 1
1 1017 . 9 1 1 A 82 82 LEU CB C 79 39.600 40.947 -1.347 1
1 1021 . 9 1 1 A 82 82 LEU N N 79 125.300 126.694 -1.394 1
1 1022 . 9 1 1 A 83 83 SER H H 80 8.000 7.726 0.274 1
1 1023 . 9 1 1 A 83 83 SER HA H 80 4.200 4.314 -0.114 1
1 1026 . 9 1 1 A 83 83 SER C C 80 176.600 175.700 0.900 1
1 1027 . 9 1 1 A 83 83 SER CA C 80 60.100 61.450 -1.350 1
1 1028 . 9 1 1 A 83 83 SER CB C 80 62.500 63.179 -0.679 1
1 1029 . 9 1 1 A 83 83 SER N N 80 109.700 115.091 -5.391 1
1 1030 . 9 1 1 A 84 84 ASP H H 81 7.100 7.714 -0.614 1
1 1031 . 9 1 1 A 84 84 ASP HA H 81 4.090 4.397 -0.307 1
1 1034 . 9 1 1 A 84 84 ASP C C 81 175.900 176.705 -0.805 1
1 1035 . 9 1 1 A 84 84 ASP CA C 81 53.500 52.733 0.767 1
1 1036 . 9 1 1 A 84 84 ASP CB C 81 41.900 41.558 0.342 1
1 1037 . 9 1 1 A 84 84 ASP N N 81 117.300 115.673 1.627 1
1 1038 . 9 1 1 A 85 85 GLY H H 82 8.860 8.160 0.700 1
1 1039 . 9 1 1 A 85 85 GLY HA2 H 82 3.590 3.905 -0.315 1
1 1040 . 9 1 1 A 85 85 GLY HA3 H 82 4.810 3.923 0.887 1
1 1041 . 9 1 1 A 85 85 GLY C C 82 173.700 174.247 -0.547 1
1 1042 . 9 1 1 A 85 85 GLY CA C 82 45.900 45.383 0.517 1
1 1043 . 9 1 1 A 85 85 GLY N N 82 111.300 109.253 2.047 1
1 1044 . 9 1 1 A 86 86 LEU H H 83 7.430 7.737 -0.307 1
1 1045 . 9 1 1 A 86 86 LEU HA H 83 4.290 4.272 0.018 1
1 1055 . 9 1 1 A 86 86 LEU C C 83 176.600 175.332 1.268 1
1 1056 . 9 1 1 A 86 86 LEU CA C 83 56.200 55.171 1.029 1
1 1057 . 9 1 1 A 86 86 LEU CB C 83 43.100 42.672 0.428 1
1 1061 . 9 1 1 A 86 86 LEU N N 83 120.800 122.819 -2.019 1
1 1062 . 9 1 1 A 87 87 CYS H H 84 8.080 8.607 -0.527 1
1 1063 . 9 1 1 A 87 87 CYS HA H 84 5.290 4.878 0.412 1
1 1066 . 9 1 1 A 87 87 CYS C C 84 175.300 175.317 -0.017 1
1 1067 . 9 1 1 A 87 87 CYS CA C 84 56.600 57.570 -0.970 1
1 1068 . 9 1 1 A 87 87 CYS CB C 84 27.800 29.734 -1.934 1
1 1069 . 9 1 1 A 87 87 CYS N N 84 126.300 126.235 0.065 1
1 1070 . 9 1 1 A 88 88 MET H H 85 8.760 9.123 -0.363 1
1 1071 . 9 1 1 A 88 88 MET HA H 85 3.630 4.179 -0.549 1
1 1079 . 9 1 1 A 88 88 MET C C 85 177.500 177.464 0.036 1
1 1080 . 9 1 1 A 88 88 MET CA C 85 58.800 58.008 0.792 1
1 1081 . 9 1 1 A 88 88 MET CB C 85 33.800 32.343 1.457 1
1 1084 . 9 1 1 A 88 88 MET N N 85 130.500 125.897 4.603 1
1 1085 . 9 1 1 A 89 89 GLU H H 86 9.160 7.188 1.972 1
1 1086 . 9 1 1 A 89 89 GLU HA H 86 3.770 4.000 -0.230 1
1 1091 . 9 1 1 A 89 89 GLU C C 86 177.500 177.368 0.132 1
1 1092 . 9 1 1 A 89 89 GLU CA C 86 60.900 58.242 2.658 1
1 1093 . 9 1 1 A 89 89 GLU CB C 86 29.300 29.822 -0.522 1
1 1095 . 9 1 1 A 89 89 GLU N N 86 119.200 118.562 0.638 1
1 1096 . 9 1 1 A 90 90 ASP H H 87 7.080 7.635 -0.555 1
1 1097 . 9 1 1 A 90 90 ASP HA H 87 4.590 4.711 -0.121 1
1 1100 . 9 1 1 A 90 90 ASP CA C 87 54.700 53.644 1.056 1
1 1101 . 9 1 1 A 90 90 ASP CB C 87 41.800 40.682 1.118 1
1 1102 . 9 1 1 A 90 90 ASP N N 87 115.800 118.831 -3.031 1
1 1103 . 9 1 1 A 91 91 GLU H H 88 9.340 8.345 0.995 1
1 1104 . 9 1 1 A 91 91 GLU HA H 88 4.290 4.249 0.041 1
1 1109 . 9 1 1 A 91 91 GLU C C 88 178.900 178.387 0.513 1
1 1110 . 9 1 1 A 91 91 GLU CA C 88 59.000 59.312 -0.312 1
1 1111 . 9 1 1 A 91 91 GLU CB C 88 29.100 28.868 0.232 1
1 1113 . 9 1 1 A 91 91 GLU N N 88 127.400 119.066 8.334 1
1 1114 . 9 1 1 A 92 92 GLN H H 89 8.920 8.766 0.154 1
1 1115 . 9 1 1 A 92 92 GLN HA H 89 4.170 4.191 -0.021 1
1 1122 . 9 1 1 A 92 92 GLN C C 89 176.600 177.297 -0.697 1
1 1123 . 9 1 1 A 92 92 GLN CA C 89 57.800 58.353 -0.553 1
1 1124 . 9 1 1 A 92 92 GLN CB C 89 28.400 28.426 -0.026 1
1 1127 . 9 1 1 A 92 92 GLN N N 89 120.400 119.566 0.834 1
1 1129 . 9 1 1 A 93 93 PHE H H 90 8.150 8.798 -0.648 1
1 1130 . 9 1 1 A 93 93 PHE HA H 90 4.430 4.790 -0.360 1
1 1138 . 9 1 1 A 93 93 PHE C C 90 172.600 175.370 -2.770 1
1 1139 . 9 1 1 A 93 93 PHE CA C 90 57.800 59.381 -1.581 1
1 1140 . 9 1 1 A 93 93 PHE CB C 90 39.300 41.292 -1.992 1
1 1146 . 9 1 1 A 93 93 PHE N N 90 119.700 120.475 -0.775 1
1 1147 . 9 1 1 A 94 94 SER H H 91 7.020 8.316 -1.296 1
1 1148 . 9 1 1 A 94 94 SER HA H 91 4.870 4.563 0.307 1
1 1152 . 9 1 1 A 94 94 SER C C 91 174.100 173.827 0.273 1
1 1153 . 9 1 1 A 94 94 SER CA C 91 60.900 60.792 0.108 1
1 1154 . 9 1 1 A 94 94 SER CB C 91 63.600 62.030 1.570 1
1 1155 . 9 1 1 A 94 94 SER N N 91 112.700 113.538 -0.838 1
1 1156 . 9 1 1 A 95 95 VAL H H 92 9.120 7.896 1.224 1
1 1157 . 9 1 1 A 95 95 VAL HA H 92 4.810 4.515 0.295 1
1 1165 . 9 1 1 A 95 95 VAL C C 92 175.700 174.302 1.398 1
1 1166 . 9 1 1 A 95 95 VAL CA C 92 59.200 60.060 -0.860 1
1 1167 . 9 1 1 A 95 95 VAL CB C 92 35.700 33.666 2.034 1
1 1170 . 9 1 1 A 95 95 VAL N N 92 116.900 120.332 -3.432 1
1 1171 . 9 1 1 A 96 96 LYS H H 93 8.390 8.436 -0.046 1
1 1172 . 9 1 1 A 96 96 LYS HA H 93 4.010 4.532 -0.522 1
1 1181 . 9 1 1 A 96 96 LYS C C 93 174.800 175.505 -0.705 1
1 1182 . 9 1 1 A 96 96 LYS CA C 93 57.700 54.763 2.937 1
1 1183 . 9 1 1 A 96 96 LYS CB C 93 34.000 33.697 0.303 1
1 1187 . 9 1 1 A 96 96 LYS N N 93 120.300 122.884 -2.584 1
1 1188 . 9 1 1 A 97 97 HIS H H 94 8.030 8.853 -0.823 1
1 1189 . 9 1 1 A 97 97 HIS HA H 94 5.060 5.030 0.030 1
1 1194 . 9 1 1 A 97 97 HIS C C 94 172.600 173.072 -0.472 1
1 1195 . 9 1 1 A 97 97 HIS CA C 94 54.700 55.525 -0.825 1
1 1196 . 9 1 1 A 97 97 HIS CB C 94 31.400 32.004 -0.604 1
1 1199 . 9 1 1 A 97 97 HIS N N 94 121.000 127.259 -6.259 1
1 1200 . 9 1 1 A 98 98 TYR H H 95 7.610 9.122 -1.512 1
1 1201 . 9 1 1 A 98 98 TYR HA H 95 4.410 4.633 -0.223 1
1 1208 . 9 1 1 A 98 98 TYR C C 95 173.600 175.657 -2.057 1
1 1209 . 9 1 1 A 98 98 TYR CA C 95 56.400 56.363 0.037 1
1 1210 . 9 1 1 A 98 98 TYR CB C 95 40.900 41.152 -0.252 1
1 1215 . 9 1 1 A 98 98 TYR N N 95 121.800 125.561 -3.761 1
1 1216 . 9 1 1 A 99 99 GLU H H 96 8.480 8.560 -0.080 1
1 1217 . 9 1 1 A 99 99 GLU HA H 96 4.420 4.641 -0.221 1
1 1222 . 9 1 1 A 99 99 GLU C C 96 174.300 175.778 -1.478 1
1 1223 . 9 1 1 A 99 99 GLU CA C 96 56.600 56.683 -0.083 1
1 1224 . 9 1 1 A 99 99 GLU CB C 96 30.700 30.243 0.457 1
1 1226 . 9 1 1 A 99 99 GLU N N 96 122.200 122.182 0.018 1
1 1227 . 9 1 1 A 100 100 ALA H H 97 8.420 8.931 -0.511 1
1 1228 . 9 1 1 A 100 100 ALA HA H 97 5.940 5.852 0.088 1
1 1232 . 9 1 1 A 100 100 ALA C C 97 176.100 176.502 -0.402 1
1 1233 . 9 1 1 A 100 100 ALA CA C 97 50.400 50.008 0.392 1
1 1234 . 9 1 1 A 100 100 ALA CB C 97 23.700 22.384 1.316 1
1 1235 . 9 1 1 A 100 100 ALA N N 97 124.100 128.040 -3.940 1
1 1236 . 9 1 1 A 101 101 ARG H H 98 9.000 9.438 -0.438 1
1 1237 . 9 1 1 A 101 101 ARG HA H 98 4.640 4.944 -0.304 1
1 1245 . 9 1 1 A 101 101 ARG C C 98 172.100 174.338 -2.238 1
1 1246 . 9 1 1 A 101 101 ARG CA C 98 54.200 54.424 -0.224 1
1 1247 . 9 1 1 A 101 101 ARG CB C 98 32.800 33.687 -0.887 1
1 1250 . 9 1 1 A 101 101 ARG N N 98 118.400 119.257 -0.857 1
1 1252 . 9 1 1 A 102 102 VAL H H 99 8.330 8.875 -0.545 1
1 1253 . 9 1 1 A 102 102 VAL HA H 99 4.720 4.566 0.154 1
1 1261 . 9 1 1 A 102 102 VAL C C 99 175.200 174.373 0.827 1
1 1262 . 9 1 1 A 102 102 VAL CA C 99 61.100 61.829 -0.729 1
1 1263 . 9 1 1 A 102 102 VAL CB C 99 32.700 31.769 0.931 1
1 1266 . 9 1 1 A 102 102 VAL N N 99 119.500 123.420 -3.920 1
1 1267 . 9 1 1 A 103 103 LYS H H 100 9.070 9.084 -0.014 1
1 1268 . 9 1 1 A 103 103 LYS HA H 100 4.460 4.513 -0.053 1
1 1277 . 9 1 1 A 103 103 LYS C C 100 175.700 175.981 -0.281 1
1 1278 . 9 1 1 A 103 103 LYS CA C 100 54.300 55.065 -0.765 1
1 1279 . 9 1 1 A 103 103 LYS CB C 100 34.800 33.719 1.081 1
1 1283 . 9 1 1 A 103 103 LYS N N 100 130.200 128.202 1.998 1
1 1284 . 9 1 1 A 104 104 ASP H H 101 9.560 9.247 0.313 1
1 1285 . 9 1 1 A 104 104 ASP HA H 101 4.210 4.266 -0.056 1
1 1288 . 9 1 1 A 104 104 ASP C C 101 175.800 175.302 0.498 1
1 1289 . 9 1 1 A 104 104 ASP CA C 101 55.500 55.004 0.496 1
1 1290 . 9 1 1 A 104 104 ASP CB C 101 39.700 39.728 -0.028 1
1 1291 . 9 1 1 A 104 104 ASP N N 101 130.600 126.957 3.643 1
1 1292 . 9 1 1 A 105 105 GLY H H 102 8.260 8.471 -0.211 1
1 1293 . 9 1 1 A 105 105 GLY HA2 H 102 3.450 3.788 -0.338 1
1 1294 . 9 1 1 A 105 105 GLY HA3 H 102 4.170 3.788 0.382 1
1 1295 . 9 1 1 A 105 105 GLY C C 102 173.300 173.659 -0.359 1
1 1296 . 9 1 1 A 105 105 GLY CA C 102 45.300 45.411 -0.111 1
1 1297 . 9 1 1 A 105 105 GLY N N 102 101.900 104.528 -2.628 1
1 1298 . 9 1 1 A 106 106 VAL H H 103 7.900 7.985 -0.085 1
1 1299 . 9 1 1 A 106 106 VAL HA H 103 4.270 4.303 -0.033 1
1 1307 . 9 1 1 A 106 106 VAL C C 103 175.100 175.041 0.059 1
1 1308 . 9 1 1 A 106 106 VAL CA C 103 62.100 61.250 0.850 1
1 1309 . 9 1 1 A 106 106 VAL CB C 103 34.100 33.981 0.119 1
1 1312 . 9 1 1 A 106 106 VAL N N 103 123.800 122.393 1.407 1
1 1313 . 9 1 1 A 107 107 VAL H H 104 9.290 9.186 0.104 1
1 1314 . 9 1 1 A 107 107 VAL HA H 104 4.220 4.171 0.049 1
1 1322 . 9 1 1 A 107 107 VAL C C 104 174.300 175.423 -1.123 1
1 1323 . 9 1 1 A 107 107 VAL CA C 104 62.700 62.886 -0.186 1
1 1324 . 9 1 1 A 107 107 VAL CB C 104 31.500 31.283 0.217 1
1 1327 . 9 1 1 A 107 107 VAL N N 104 127.300 128.306 -1.006 1
1 1328 . 9 1 1 A 108 108 GLN H H 105 9.410 9.326 0.084 1
1 1329 . 9 1 1 A 108 108 GLN HA H 105 5.720 5.329 0.391 1
1 1336 . 9 1 1 A 108 108 GLN C C 105 174.900 174.649 0.251 1
1 1337 . 9 1 1 A 108 108 GLN CA C 105 53.400 54.462 -1.062 1
1 1338 . 9 1 1 A 108 108 GLN CB C 105 34.600 32.001 2.599 1
1 1341 . 9 1 1 A 108 108 GLN N N 105 126.500 127.237 -0.737 1
1 1343 . 9 1 1 A 109 109 LEU H H 106 8.530 9.273 -0.743 1
1 1344 . 9 1 1 A 109 109 LEU HA H 106 5.760 5.387 0.373 1
1 1354 . 9 1 1 A 109 109 LEU C C 106 176.300 175.175 1.125 1
1 1355 . 9 1 1 A 109 109 LEU CA C 106 52.800 53.230 -0.430 1
1 1356 . 9 1 1 A 109 109 LEU CB C 106 48.900 44.932 3.968 1
1 1360 . 9 1 1 A 109 109 LEU N N 106 118.900 123.722 -4.822 1
1 1361 . 9 1 1 A 110 110 ARG H H 107 8.310 9.202 -0.892 1
1 1362 . 9 1 1 A 110 110 ARG HA H 107 4.230 4.978 -0.748 1
1 1370 . 9 1 1 A 110 110 ARG C C 107 174.800 174.908 -0.108 1
1 1371 . 9 1 1 A 110 110 ARG CA C 107 55.700 53.818 1.882 1
1 1372 . 9 1 1 A 110 110 ARG CB C 107 31.900 31.474 0.426 1
1 1375 . 9 1 1 A 110 110 ARG N N 107 119.900 123.925 -4.025 1
1 1377 . 9 1 1 A 111 111 GLY H H 108 8.390 8.220 0.170 1
1 1378 . 9 1 1 A 111 111 GLY HA2 H 108 3.880 4.042 -0.162 1
1 1379 . 9 1 1 A 111 111 GLY HA3 H 108 4.130 4.247 -0.117 1
1 1380 . 9 1 1 A 111 111 GLY C C 108 173.500 174.735 -1.235 1
1 1381 . 9 1 1 A 111 111 GLY CA C 108 45.000 45.502 -0.502 1
1 1382 . 9 1 1 A 111 111 GLY N N 108 110.000 112.439 -2.439 1
1 1383 . 9 1 1 A 112 112 GLY H H 109 8.280 8.811 -0.531 1
1 1384 . 9 1 1 A 112 112 GLY HA2 H 109 3.850 3.975 -0.125 1
1 1385 . 9 1 1 A 112 112 GLY HA3 H 109 3.950 4.014 -0.064 1
1 1386 . 9 1 1 A 112 112 GLY C C 109 173.200 173.378 -0.178 1
1 1387 . 9 1 1 A 112 112 GLY CA C 109 45.100 45.353 -0.253 1
1 1388 . 9 1 1 A 112 112 GLY N N 109 108.400 113.368 -4.968 1
1 10 . 10 1 1 A 5 5 SER H H 2 8.360 7.887 0.473 1
1 11 . 10 1 1 A 5 5 SER HA H 2 4.400 4.777 -0.377 1
1 14 . 10 1 1 A 5 5 SER C C 2 174.100 172.849 1.251 1
1 15 . 10 1 1 A 5 5 SER CA C 2 58.200 57.745 0.455 1
1 16 . 10 1 1 A 5 5 SER CB C 2 63.700 65.248 -1.548 1
1 17 . 10 1 1 A 5 5 SER N N 2 117.000 108.941 8.059 1
1 18 . 10 1 1 A 6 6 GLN H H 3 8.280 8.766 -0.486 1
1 19 . 10 1 1 A 6 6 GLN HA H 3 4.320 5.041 -0.721 1
1 26 . 10 1 1 A 6 6 GLN C C 3 175.500 174.022 1.478 1
1 27 . 10 1 1 A 6 6 GLN CA C 3 55.400 54.546 0.854 1
1 28 . 10 1 1 A 6 6 GLN CB C 3 30.100 29.613 0.487 1
1 31 . 10 1 1 A 6 6 GLN N N 3 121.800 122.536 -0.736 1
1 33 . 10 1 1 A 7 7 TRP H H 4 8.170 8.927 -0.757 1
1 34 . 10 1 1 A 7 7 TRP HA H 4 4.470 4.887 -0.417 1
1 43 . 10 1 1 A 7 7 TRP C C 4 176.200 175.594 0.606 1
1 44 . 10 1 1 A 7 7 TRP CA C 4 57.600 56.830 0.770 1
1 45 . 10 1 1 A 7 7 TRP CB C 4 30.300 28.353 1.947 1
1 51 . 10 1 1 A 7 7 TRP N N 4 122.300 126.791 -4.491 1
1 53 . 10 1 1 A 8 8 LYS H H 5 9.370 8.904 0.466 1
1 54 . 10 1 1 A 8 8 LYS HA H 5 4.690 4.578 0.112 1
1 63 . 10 1 1 A 8 8 LYS C C 5 175.600 175.958 -0.358 1
1 64 . 10 1 1 A 8 8 LYS CA C 5 54.200 56.221 -2.021 1
1 65 . 10 1 1 A 8 8 LYS CB C 5 34.700 32.838 1.862 1
1 69 . 10 1 1 A 8 8 LYS N N 5 125.100 126.668 -1.568 1
1 70 . 10 1 1 A 9 9 ASP H H 6 8.730 8.822 -0.092 1
1 71 . 10 1 1 A 9 9 ASP HA H 6 4.500 4.669 -0.169 1
1 74 . 10 1 1 A 9 9 ASP C C 6 176.200 175.671 0.529 1
1 75 . 10 1 1 A 9 9 ASP CA C 6 55.400 54.712 0.688 1
1 76 . 10 1 1 A 9 9 ASP CB C 6 40.700 40.630 0.070 1
1 77 . 10 1 1 A 9 9 ASP N N 6 125.400 127.361 -1.961 1
1 78 . 10 1 1 A 10 10 ILE H H 7 9.300 9.294 0.006 1
1 79 . 10 1 1 A 10 10 ILE HA H 7 4.300 4.039 0.261 1
1 89 . 10 1 1 A 10 10 ILE C C 7 175.500 176.276 -0.776 1
1 90 . 10 1 1 A 10 10 ILE CA C 7 60.000 63.142 -3.142 1
1 91 . 10 1 1 A 10 10 ILE CB C 7 37.700 38.156 -0.456 1
1 95 . 10 1 1 A 10 10 ILE N N 7 122.900 125.733 -2.833 1
1 96 . 10 1 1 A 11 11 CYS H H 8 7.510 7.619 -0.109 1
1 97 . 10 1 1 A 11 11 CYS HA H 8 4.880 4.688 0.192 1
1 100 . 10 1 1 A 11 11 CYS C C 8 172.300 172.957 -0.657 1
1 101 . 10 1 1 A 11 11 CYS CA C 8 55.700 57.044 -1.344 1
1 102 . 10 1 1 A 11 11 CYS CB C 8 28.800 30.210 -1.410 1
1 103 . 10 1 1 A 11 11 CYS N N 8 111.400 115.632 -4.232 1
1 104 . 10 1 1 A 12 12 LYS H H 9 8.920 8.639 0.281 1
1 105 . 10 1 1 A 12 12 LYS HA H 9 4.880 4.669 0.211 1
1 114 . 10 1 1 A 12 12 LYS C C 9 179.400 178.222 1.178 1
1 115 . 10 1 1 A 12 12 LYS CA C 9 55.700 55.175 0.525 1
1 116 . 10 1 1 A 12 12 LYS CB C 9 32.100 33.174 -1.074 1
1 120 . 10 1 1 A 12 12 LYS N N 9 120.100 119.536 0.564 1
1 121 . 10 1 1 A 13 13 ILE H H 10 8.640 9.296 -0.656 1
1 122 . 10 1 1 A 13 13 ILE HA H 10 3.990 3.978 0.012 1
1 132 . 10 1 1 A 13 13 ILE C C 10 174.900 176.823 -1.923 1
1 133 . 10 1 1 A 13 13 ILE CA C 10 61.000 63.247 -2.247 1
1 134 . 10 1 1 A 13 13 ILE CB C 10 37.800 38.070 -0.270 1
1 138 . 10 1 1 A 13 13 ILE N N 10 123.700 124.714 -1.014 1
1 139 . 10 1 1 A 14 14 ASP H H 11 7.600 8.024 -0.424 1
1 140 . 10 1 1 A 14 14 ASP HA H 11 4.350 4.400 -0.050 1
1 143 . 10 1 1 A 14 14 ASP C C 11 176.500 177.719 -1.219 1
1 144 . 10 1 1 A 14 14 ASP CA C 11 55.400 56.671 -1.271 1
1 145 . 10 1 1 A 14 14 ASP CB C 11 40.400 40.808 -0.408 1
1 146 . 10 1 1 A 14 14 ASP N N 11 115.800 121.691 -5.891 1
1 147 . 10 1 1 A 15 15 ASP H H 12 7.600 8.104 -0.504 1
1 148 . 10 1 1 A 15 15 ASP HA H 12 4.490 4.489 0.001 1
1 151 . 10 1 1 A 15 15 ASP C C 12 175.600 175.749 -0.149 1
1 152 . 10 1 1 A 15 15 ASP CA C 12 55.500 56.453 -0.953 1
1 153 . 10 1 1 A 15 15 ASP CB C 12 40.900 41.555 -0.655 1
1 154 . 10 1 1 A 15 15 ASP N N 12 116.800 118.024 -1.224 1
1 155 . 10 1 1 A 16 16 ILE H H 13 7.700 7.499 0.201 1
1 156 . 10 1 1 A 16 16 ILE HA H 13 4.000 4.256 -0.256 1
1 166 . 10 1 1 A 16 16 ILE C C 13 174.100 175.636 -1.536 1
1 167 . 10 1 1 A 16 16 ILE CA C 13 60.500 60.672 -0.172 1
1 168 . 10 1 1 A 16 16 ILE CB C 13 38.200 37.488 0.712 1
1 172 . 10 1 1 A 16 16 ILE N N 13 120.900 119.513 1.387 1
1 173 . 10 1 1 A 17 17 LEU H H 14 7.970 8.459 -0.489 1
1 174 . 10 1 1 A 17 17 LEU HA H 14 4.370 4.823 -0.453 1
1 184 . 10 1 1 A 17 17 LEU CA C 14 53.800 52.721 1.079 1
1 185 . 10 1 1 A 17 17 LEU CB C 14 40.500 42.578 -2.078 1
1 189 . 10 1 1 A 17 17 LEU N N 14 127.800 125.781 2.019 1
1 190 . 10 1 1 A 18 18 PRO HA H 15 4.080 4.267 -0.187 1
1 197 . 10 1 1 A 18 18 PRO C C 15 175.700 176.809 -1.109 1
1 198 . 10 1 1 A 18 18 PRO CA C 15 64.300 63.679 0.621 1
1 199 . 10 1 1 A 18 18 PRO CB C 15 31.600 31.730 -0.130 1
1 202 . 10 1 1 A 19 19 GLU H H 16 8.930 8.628 0.302 1
1 203 . 10 1 1 A 19 19 GLU HA H 16 3.660 3.988 -0.328 1
1 208 . 10 1 1 A 19 19 GLU C C 16 175.500 174.988 0.512 1
1 209 . 10 1 1 A 19 19 GLU CA C 16 58.300 57.177 1.123 1
1 210 . 10 1 1 A 19 19 GLU CB C 16 27.300 27.878 -0.578 1
1 212 . 10 1 1 A 19 19 GLU N N 16 113.700 116.944 -3.244 1
1 213 . 10 1 1 A 20 20 THR H H 17 7.790 7.303 0.487 1
1 214 . 10 1 1 A 20 20 THR HA H 17 5.080 4.991 0.089 1
1 220 . 10 1 1 A 20 20 THR C C 17 172.100 173.395 -1.295 1
1 221 . 10 1 1 A 20 20 THR CA C 17 60.700 60.926 -0.226 1
1 222 . 10 1 1 A 20 20 THR CB C 17 73.100 72.096 1.004 1
1 224 . 10 1 1 A 20 20 THR N N 17 110.000 112.634 -2.634 1
1 225 . 10 1 1 A 21 21 GLY H H 18 8.080 8.934 -0.854 1
1 226 . 10 1 1 A 21 21 GLY HA2 H 18 3.070 4.162 -1.092 1
1 227 . 10 1 1 A 21 21 GLY HA3 H 18 5.270 4.285 0.985 1
1 228 . 10 1 1 A 21 21 GLY C C 18 173.400 172.467 0.933 1
1 229 . 10 1 1 A 21 21 GLY CA C 18 44.600 44.536 0.064 1
1 230 . 10 1 1 A 21 21 GLY N N 18 103.700 113.499 -9.799 1
1 231 . 10 1 1 A 22 22 VAL H H 19 8.520 9.046 -0.526 1
1 232 . 10 1 1 A 22 22 VAL HA H 19 4.570 5.017 -0.447 1
1 240 . 10 1 1 A 22 22 VAL C C 19 172.900 173.385 -0.485 1
1 241 . 10 1 1 A 22 22 VAL CA C 19 58.900 58.699 0.201 1
1 242 . 10 1 1 A 22 22 VAL CB C 19 35.900 35.339 0.561 1
1 245 . 10 1 1 A 22 22 VAL N N 19 112.900 118.621 -5.721 1
1 246 . 10 1 1 A 23 23 CYS H H 20 8.290 8.870 -0.580 1
1 247 . 10 1 1 A 23 23 CYS HA H 20 5.250 5.161 0.089 1
1 250 . 10 1 1 A 23 23 CYS C C 20 173.500 173.906 -0.406 1
1 251 . 10 1 1 A 23 23 CYS CA C 20 56.300 56.860 -0.560 1
1 252 . 10 1 1 A 23 23 CYS CB C 20 27.600 30.443 -2.843 1
1 253 . 10 1 1 A 23 23 CYS N N 20 120.700 121.055 -0.355 1
1 254 . 10 1 1 A 24 24 ALA H H 21 9.590 9.348 0.242 1
1 255 . 10 1 1 A 24 24 ALA HA H 21 4.580 5.191 -0.611 1
1 259 . 10 1 1 A 24 24 ALA C C 21 174.400 175.672 -1.272 1
1 260 . 10 1 1 A 24 24 ALA CA C 21 50.200 50.096 0.104 1
1 261 . 10 1 1 A 24 24 ALA CB C 21 23.400 22.914 0.486 1
1 262 . 10 1 1 A 24 24 ALA N N 21 132.500 128.412 4.088 1
1 263 . 10 1 1 A 25 25 LEU H H 22 8.100 8.855 -0.755 1
1 264 . 10 1 1 A 25 25 LEU HA H 22 4.860 4.849 0.011 1
1 274 . 10 1 1 A 25 25 LEU C C 22 175.800 174.692 1.108 1
1 275 . 10 1 1 A 25 25 LEU CA C 22 53.800 53.918 -0.118 1
1 276 . 10 1 1 A 25 25 LEU CB C 22 43.600 42.697 0.903 1
1 280 . 10 1 1 A 25 25 LEU N N 22 120.700 121.616 -0.916 1
1 281 . 10 1 1 A 26 26 LEU H H 23 8.660 8.936 -0.276 1
1 282 . 10 1 1 A 26 26 LEU HA H 23 4.410 4.543 -0.133 1
1 292 . 10 1 1 A 26 26 LEU C C 23 176.600 176.643 -0.043 1
1 293 . 10 1 1 A 26 26 LEU CA C 23 53.100 54.032 -0.932 1
1 294 . 10 1 1 A 26 26 LEU CB C 23 43.400 42.446 0.954 1
1 298 . 10 1 1 A 26 26 LEU N N 23 125.800 126.387 -0.587 1
1 299 . 10 1 1 A 27 27 GLY H H 24 8.910 8.864 0.046 1
1 300 . 10 1 1 A 27 27 GLY HA2 H 24 3.560 3.816 -0.256 1
1 301 . 10 1 1 A 27 27 GLY HA3 H 24 4.000 3.818 0.182 1
1 302 . 10 1 1 A 27 27 GLY C C 24 173.800 174.231 -0.431 1
1 303 . 10 1 1 A 27 27 GLY CA C 24 47.300 47.319 -0.019 1
1 304 . 10 1 1 A 27 27 GLY N N 24 118.300 115.735 2.565 1
1 305 . 10 1 1 A 28 28 ASP H H 25 8.800 8.306 0.494 1
1 306 . 10 1 1 A 28 28 ASP HA H 25 4.690 4.735 -0.045 1
1 309 . 10 1 1 A 28 28 ASP C C 25 176.100 175.944 0.156 1
1 310 . 10 1 1 A 28 28 ASP CA C 25 53.900 53.355 0.545 1
1 311 . 10 1 1 A 28 28 ASP CB C 25 41.300 41.738 -0.438 1
1 312 . 10 1 1 A 28 28 ASP N N 25 126.600 124.747 1.853 1
1 313 . 10 1 1 A 29 29 GLU H H 26 8.100 7.854 0.246 1
1 314 . 10 1 1 A 29 29 GLU HA H 26 4.440 4.616 -0.176 1
1 319 . 10 1 1 A 29 29 GLU C C 26 174.800 175.789 -0.989 1
1 320 . 10 1 1 A 29 29 GLU CA C 26 55.800 55.532 0.268 1
1 321 . 10 1 1 A 29 29 GLU CB C 26 30.600 31.206 -0.606 1
1 323 . 10 1 1 A 29 29 GLU N N 26 120.400 119.535 0.865 1
1 324 . 10 1 1 A 30 30 GLN H H 27 8.640 8.535 0.105 1
1 325 . 10 1 1 A 30 30 GLN HA H 27 4.510 4.652 -0.142 1
1 332 . 10 1 1 A 30 30 GLN C C 27 175.800 175.360 0.440 1
1 333 . 10 1 1 A 30 30 GLN CA C 27 55.700 55.852 -0.152 1
1 334 . 10 1 1 A 30 30 GLN CB C 27 29.300 29.387 -0.087 1
1 336 . 10 1 1 A 30 30 GLN N N 27 121.300 122.828 -1.528 1
1 338 . 10 1 1 A 31 31 VAL H H 28 9.280 9.216 0.064 1
1 339 . 10 1 1 A 31 31 VAL HA H 28 4.040 4.532 -0.492 1
1 347 . 10 1 1 A 31 31 VAL C C 28 172.900 174.177 -1.277 1
1 348 . 10 1 1 A 31 31 VAL CA C 28 61.900 60.415 1.485 1
1 349 . 10 1 1 A 31 31 VAL CB C 28 34.800 34.587 0.213 1
1 352 . 10 1 1 A 31 31 VAL N N 28 128.600 124.425 4.175 1
1 353 . 10 1 1 A 32 32 ALA H H 29 9.440 9.279 0.161 1
1 354 . 10 1 1 A 32 32 ALA HA H 29 4.680 4.893 -0.213 1
1 358 . 10 1 1 A 32 32 ALA C C 29 175.200 175.430 -0.230 1
1 359 . 10 1 1 A 32 32 ALA CA C 29 50.500 50.036 0.464 1
1 360 . 10 1 1 A 32 32 ALA CB C 29 20.200 20.262 -0.062 1
1 361 . 10 1 1 A 32 32 ALA N N 29 130.400 128.301 2.099 1
1 362 . 10 1 1 A 33 33 ILE H H 30 8.590 8.711 -0.121 1
1 363 . 10 1 1 A 33 33 ILE HA H 30 4.680 4.718 -0.038 1
1 373 . 10 1 1 A 33 33 ILE C C 30 174.800 174.432 0.368 1
1 374 . 10 1 1 A 33 33 ILE CA C 30 59.900 60.031 -0.131 1
1 375 . 10 1 1 A 33 33 ILE CB C 30 39.300 38.891 0.409 1
1 379 . 10 1 1 A 33 33 ILE N N 30 120.600 124.333 -3.733 1
1 380 . 10 1 1 A 34 34 PHE H H 31 9.430 9.355 0.075 1
1 381 . 10 1 1 A 34 34 PHE HA H 31 5.070 5.276 -0.206 1
1 386 . 10 1 1 A 34 34 PHE C C 31 174.800 174.578 0.222 1
1 387 . 10 1 1 A 34 34 PHE CA C 31 57.200 56.406 0.794 1
1 388 . 10 1 1 A 34 34 PHE CB C 31 43.400 41.800 1.600 1
1 391 . 10 1 1 A 34 34 PHE N N 31 121.800 126.307 -4.507 1
1 392 . 10 1 1 A 35 35 ARG H H 32 8.450 9.225 -0.775 1
1 393 . 10 1 1 A 35 35 ARG HA H 32 5.470 4.898 0.572 1
1 403 . 10 1 1 A 35 35 ARG CA C 32 52.000 52.627 -0.627 1
1 404 . 10 1 1 A 35 35 ARG CB C 32 33.200 31.415 1.785 1
1 407 . 10 1 1 A 35 35 ARG N N 32 123.000 124.865 -1.865 1
1 410 . 10 1 1 A 36 36 PRO HA H 33 3.910 4.643 -0.733 1
1 417 . 10 1 1 A 36 36 PRO C C 33 174.300 175.690 -1.390 1
1 418 . 10 1 1 A 36 36 PRO CA C 33 64.600 63.608 0.992 1
1 419 . 10 1 1 A 36 36 PRO CB C 33 32.800 32.606 0.194 1
1 422 . 10 1 1 A 37 37 TYR H H 34 9.000 7.758 1.242 1
1 423 . 10 1 1 A 37 37 TYR HA H 34 5.250 5.022 0.228 1
1 430 . 10 1 1 A 37 37 TYR C C 34 175.000 176.210 -1.210 1
1 431 . 10 1 1 A 37 37 TYR CA C 34 54.200 57.207 -3.007 1
1 432 . 10 1 1 A 37 37 TYR CB C 34 41.000 40.762 0.238 1
1 437 . 10 1 1 A 37 37 TYR N N 34 115.500 119.856 -4.356 1
1 438 . 10 1 1 A 38 38 HIS H H 35 8.700 9.112 -0.412 1
1 439 . 10 1 1 A 38 38 HIS HA H 35 4.490 4.427 0.063 1
1 444 . 10 1 1 A 38 38 HIS C C 35 175.800 174.669 1.131 1
1 445 . 10 1 1 A 38 38 HIS CA C 35 56.400 58.812 -2.412 1
1 446 . 10 1 1 A 38 38 HIS CB C 35 28.600 30.339 -1.739 1
1 449 . 10 1 1 A 38 38 HIS N N 35 119.000 123.166 -4.166 1
1 450 . 10 1 1 A 39 39 SER H H 36 7.890 8.040 -0.150 1
1 451 . 10 1 1 A 39 39 SER HA H 36 4.770 4.533 0.237 1
1 454 . 10 1 1 A 39 39 SER C C 36 173.800 175.363 -1.563 1
1 455 . 10 1 1 A 39 39 SER CA C 36 57.000 57.295 -0.295 1
1 456 . 10 1 1 A 39 39 SER CB C 36 64.700 64.108 0.592 1
1 457 . 10 1 1 A 39 39 SER N N 36 115.500 111.960 3.540 1
1 458 . 10 1 1 A 40 40 ASP H H 37 8.540 8.607 -0.067 1
1 459 . 10 1 1 A 40 40 ASP HA H 37 4.540 4.677 -0.137 1
1 462 . 10 1 1 A 40 40 ASP C C 37 174.700 175.867 -1.167 1
1 463 . 10 1 1 A 40 40 ASP CA C 37 53.800 53.828 -0.028 1
1 464 . 10 1 1 A 40 40 ASP CB C 37 39.600 39.786 -0.186 1
1 465 . 10 1 1 A 40 40 ASP N N 37 119.400 118.650 0.750 1
1 466 . 10 1 1 A 41 41 GLN H H 38 7.490 7.540 -0.050 1
1 467 . 10 1 1 A 41 41 GLN HA H 38 4.140 4.443 -0.303 1
1 474 . 10 1 1 A 41 41 GLN C C 38 175.500 175.529 -0.029 1
1 475 . 10 1 1 A 41 41 GLN CA C 38 57.100 55.654 1.446 1
1 476 . 10 1 1 A 41 41 GLN CB C 38 29.400 29.360 0.040 1
1 479 . 10 1 1 A 41 41 GLN N N 38 118.700 119.518 -0.818 1
1 481 . 10 1 1 A 42 42 VAL H H 39 7.800 8.762 -0.962 1
1 482 . 10 1 1 A 42 42 VAL HA H 39 5.600 5.117 0.483 1
1 490 . 10 1 1 A 42 42 VAL C C 39 174.200 174.295 -0.095 1
1 491 . 10 1 1 A 42 42 VAL CA C 39 58.200 59.582 -1.382 1
1 492 . 10 1 1 A 42 42 VAL CB C 39 36.500 34.828 1.672 1
1 495 . 10 1 1 A 42 42 VAL N N 39 116.100 118.007 -1.907 1
1 496 . 10 1 1 A 43 43 PHE H H 40 8.480 9.620 -1.140 1
1 497 . 10 1 1 A 43 43 PHE HA H 40 4.870 5.277 -0.407 1
1 504 . 10 1 1 A 43 43 PHE C C 40 173.900 174.484 -0.584 1
1 505 . 10 1 1 A 43 43 PHE CA C 40 56.800 56.537 0.263 1
1 506 . 10 1 1 A 43 43 PHE CB C 40 45.300 43.405 1.895 1
1 511 . 10 1 1 A 43 43 PHE N N 40 117.200 121.038 -3.838 1
1 512 . 10 1 1 A 44 44 ALA H H 41 9.520 8.890 0.630 1
1 513 . 10 1 1 A 44 44 ALA HA H 41 6.200 5.799 0.401 1
1 517 . 10 1 1 A 44 44 ALA C C 41 176.300 176.342 -0.042 1
1 518 . 10 1 1 A 44 44 ALA CA C 41 50.900 49.998 0.902 1
1 519 . 10 1 1 A 44 44 ALA CB C 41 24.100 22.249 1.851 1
1 520 . 10 1 1 A 44 44 ALA N N 41 125.100 123.311 1.789 1
1 521 . 10 1 1 A 45 45 ILE H H 42 8.970 8.980 -0.010 1
1 522 . 10 1 1 A 45 45 ILE HA H 42 5.580 5.121 0.459 1
1 532 . 10 1 1 A 45 45 ILE C C 42 174.600 174.695 -0.095 1
1 533 . 10 1 1 A 45 45 ILE CA C 42 59.300 58.816 0.484 1
1 534 . 10 1 1 A 45 45 ILE CB C 42 44.300 42.191 2.109 1
1 538 . 10 1 1 A 45 45 ILE N N 42 117.100 117.681 -0.581 1
1 539 . 10 1 1 A 46 46 SER H H 43 8.460 9.009 -0.549 1
1 540 . 10 1 1 A 46 46 SER HA H 43 4.350 4.620 -0.270 1
1 543 . 10 1 1 A 46 46 SER C C 43 172.100 175.979 -3.879 1
1 544 . 10 1 1 A 46 46 SER CA C 43 59.500 58.892 0.608 1
1 545 . 10 1 1 A 46 46 SER CB C 43 64.900 63.660 1.240 1
1 546 . 10 1 1 A 46 46 SER N N 43 112.400 118.623 -6.223 1
1 547 . 10 1 1 A 47 47 ASN H H 44 7.990 9.235 -1.245 1
1 548 . 10 1 1 A 47 47 ASN HA H 44 4.940 4.866 0.074 1
1 553 . 10 1 1 A 47 47 ASN C C 44 175.800 174.799 1.001 1
1 554 . 10 1 1 A 47 47 ASN CA C 44 53.800 52.642 1.158 1
1 555 . 10 1 1 A 47 47 ASN CB C 44 40.600 39.069 1.531 1
1 556 . 10 1 1 A 47 47 ASN N N 44 117.800 124.521 -6.721 1
1 558 . 10 1 1 A 48 48 ILE H H 45 8.190 7.584 0.606 1
1 559 . 10 1 1 A 48 48 ILE HA H 45 4.100 4.857 -0.757 1
1 569 . 10 1 1 A 48 48 ILE C C 45 175.200 175.165 0.035 1
1 570 . 10 1 1 A 48 48 ILE CA C 45 59.400 59.676 -0.276 1
1 571 . 10 1 1 A 48 48 ILE CB C 45 36.500 42.009 -5.509 1
1 575 . 10 1 1 A 48 48 ILE N N 45 118.300 119.897 -1.597 1
1 576 . 10 1 1 A 49 49 ASP H H 46 8.720 9.041 -0.321 1
1 577 . 10 1 1 A 49 49 ASP HA H 46 4.530 4.946 -0.416 1
1 580 . 10 1 1 A 49 49 ASP CA C 46 51.400 52.522 -1.122 1
1 581 . 10 1 1 A 49 49 ASP CB C 46 42.900 40.930 1.970 1
1 582 . 10 1 1 A 49 49 ASP N N 46 128.600 126.498 2.102 1
1 583 . 10 1 1 A 50 50 PRO HA H 47 4.500 4.353 0.147 1
1 590 . 10 1 1 A 50 50 PRO C C 47 177.800 178.318 -0.518 1
1 591 . 10 1 1 A 50 50 PRO CA C 47 63.700 65.621 -1.921 1
1 592 . 10 1 1 A 50 50 PRO CB C 47 32.200 31.824 0.376 1
1 595 . 10 1 1 A 51 51 PHE H H 48 9.270 7.753 1.517 1
1 596 . 10 1 1 A 51 51 PHE HA H 48 3.980 4.024 -0.044 1
1 601 . 10 1 1 A 51 51 PHE C C 48 177.100 177.806 -0.706 1
1 602 . 10 1 1 A 51 51 PHE CA C 48 61.400 61.470 -0.070 1
1 603 . 10 1 1 A 51 51 PHE CB C 48 37.900 39.107 -1.207 1
1 606 . 10 1 1 A 51 51 PHE N N 48 121.800 118.185 3.615 1
1 607 . 10 1 1 A 52 52 PHE H H 49 7.440 8.898 -1.458 1
1 608 . 10 1 1 A 52 52 PHE HA H 49 4.560 4.085 0.475 1
1 616 . 10 1 1 A 52 52 PHE C C 49 176.100 175.416 0.684 1
1 617 . 10 1 1 A 52 52 PHE CA C 49 58.300 60.713 -2.413 1
1 618 . 10 1 1 A 52 52 PHE CB C 49 42.000 39.721 2.279 1
1 624 . 10 1 1 A 52 52 PHE N N 49 114.500 120.193 -5.693 1
1 625 . 10 1 1 A 53 53 GLU H H 50 8.590 8.238 0.352 1
1 626 . 10 1 1 A 53 53 GLU HA H 50 3.780 4.265 -0.485 1
1 631 . 10 1 1 A 53 53 GLU C C 50 175.000 175.268 -0.268 1
1 632 . 10 1 1 A 53 53 GLU CA C 50 57.300 57.167 0.133 1
1 633 . 10 1 1 A 53 53 GLU CB C 50 27.100 28.016 -0.916 1
1 635 . 10 1 1 A 53 53 GLU N N 50 120.300 119.169 1.131 1
1 636 . 10 1 1 A 54 54 SER H H 51 7.100 7.986 -0.886 1
1 637 . 10 1 1 A 54 54 SER HA H 51 4.910 5.040 -0.130 1
1 640 . 10 1 1 A 54 54 SER CA C 51 56.500 56.564 -0.064 1
1 641 . 10 1 1 A 54 54 SER CB C 51 66.100 66.415 -0.315 1
1 642 . 10 1 1 A 54 54 SER N N 51 110.300 117.663 -7.363 1
1 643 . 10 1 1 A 55 55 SER HA H 52 4.550 4.726 -0.176 1
1 646 . 10 1 1 A 55 55 SER C C 52 173.500 173.709 -0.209 1
1 647 . 10 1 1 A 55 55 SER CA C 52 56.700 57.268 -0.568 1
1 648 . 10 1 1 A 55 55 SER CB C 52 62.100 64.276 -2.176 1
1 649 . 10 1 1 A 56 56 VAL H H 53 7.590 8.344 -0.754 1
1 650 . 10 1 1 A 56 56 VAL HA H 53 4.900 4.512 0.388 1
1 658 . 10 1 1 A 56 56 VAL C C 53 176.800 175.939 0.861 1
1 659 . 10 1 1 A 56 56 VAL CA C 53 61.300 62.153 -0.853 1
1 660 . 10 1 1 A 56 56 VAL CB C 53 36.200 32.241 3.959 1
1 663 . 10 1 1 A 56 56 VAL N N 53 117.400 120.499 -3.099 1
1 664 . 10 1 1 A 57 57 LEU H H 54 8.690 9.139 -0.449 1
1 665 . 10 1 1 A 57 57 LEU HA H 54 3.930 4.489 -0.559 1
1 675 . 10 1 1 A 57 57 LEU C C 54 179.500 178.207 1.293 1
1 676 . 10 1 1 A 57 57 LEU CA C 54 60.000 55.388 4.612 1
1 677 . 10 1 1 A 57 57 LEU CB C 54 40.800 41.992 -1.192 1
1 681 . 10 1 1 A 57 57 LEU N N 54 121.100 125.941 -4.841 1
1 682 . 10 1 1 A 58 58 SER H H 55 9.750 8.330 1.420 1
1 683 . 10 1 1 A 58 58 SER HA H 55 3.800 4.422 -0.622 1
1 686 . 10 1 1 A 58 58 SER C C 55 174.100 174.929 -0.829 1
1 687 . 10 1 1 A 58 58 SER CA C 55 61.600 60.490 1.110 1
1 688 . 10 1 1 A 58 58 SER CB C 55 61.900 62.898 -0.998 1
1 689 . 10 1 1 A 58 58 SER N N 55 113.400 115.011 -1.611 1
1 690 . 10 1 1 A 59 59 ARG H H 56 7.510 7.744 -0.234 1
1 691 . 10 1 1 A 59 59 ARG HA H 56 4.560 4.602 -0.042 1
1 698 . 10 1 1 A 59 59 ARG C C 56 177.500 175.308 2.192 1
1 699 . 10 1 1 A 59 59 ARG CA C 56 55.400 55.123 0.277 1
1 700 . 10 1 1 A 59 59 ARG CB C 56 30.400 31.188 -0.788 1
1 703 . 10 1 1 A 59 59 ARG N N 56 118.400 120.743 -2.343 1
1 704 . 10 1 1 A 60 60 GLY H H 57 8.550 7.979 0.571 1
1 705 . 10 1 1 A 60 60 GLY HA2 H 57 4.020 4.309 -0.289 1
1 706 . 10 1 1 A 60 60 GLY HA3 H 57 4.020 4.319 -0.299 1
1 707 . 10 1 1 A 60 60 GLY C C 57 171.200 172.760 -1.560 1
1 708 . 10 1 1 A 60 60 GLY CA C 57 45.400 44.165 1.235 1
1 709 . 10 1 1 A 60 60 GLY N N 57 108.600 109.496 -0.896 1
1 710 . 10 1 1 A 61 61 LEU H H 58 7.740 8.203 -0.463 1
1 711 . 10 1 1 A 61 61 LEU HA H 58 4.640 4.839 -0.199 1
1 721 . 10 1 1 A 61 61 LEU C C 58 177.000 175.711 1.289 1
1 722 . 10 1 1 A 61 61 LEU CA C 58 54.200 53.389 0.811 1
1 723 . 10 1 1 A 61 61 LEU CB C 58 43.700 43.615 0.085 1
1 727 . 10 1 1 A 61 61 LEU N N 58 119.100 117.188 1.912 1
1 728 . 10 1 1 A 62 62 ILE H H 59 8.780 8.402 0.378 1
1 729 . 10 1 1 A 62 62 ILE HA H 59 4.660 4.675 -0.015 1
1 739 . 10 1 1 A 62 62 ILE C C 59 175.500 174.712 0.788 1
1 740 . 10 1 1 A 62 62 ILE CA C 59 60.600 60.320 0.280 1
1 741 . 10 1 1 A 62 62 ILE CB C 59 38.700 39.309 -0.609 1
1 745 . 10 1 1 A 62 62 ILE N N 59 126.500 120.354 6.146 1
1 746 . 10 1 1 A 63 63 ALA H H 60 9.110 9.328 -0.218 1
1 747 . 10 1 1 A 63 63 ALA HA H 60 4.590 5.169 -0.579 1
1 751 . 10 1 1 A 63 63 ALA C C 60 175.000 175.346 -0.346 1
1 752 . 10 1 1 A 63 63 ALA CA C 60 51.300 50.318 0.982 1
1 753 . 10 1 1 A 63 63 ALA CB C 60 23.100 21.758 1.342 1
1 754 . 10 1 1 A 63 63 ALA N N 60 129.300 129.109 0.191 1
1 755 . 10 1 1 A 64 64 GLU H H 61 8.460 8.736 -0.276 1
1 756 . 10 1 1 A 64 64 GLU HA H 61 5.070 4.655 0.415 1
1 761 . 10 1 1 A 64 64 GLU C C 61 176.000 176.180 -0.180 1
1 762 . 10 1 1 A 64 64 GLU CA C 61 55.100 56.443 -1.343 1
1 763 . 10 1 1 A 64 64 GLU CB C 61 31.200 30.230 0.970 1
1 765 . 10 1 1 A 64 64 GLU N N 61 121.500 124.392 -2.892 1
1 766 . 10 1 1 A 65 65 HIS H H 62 9.310 8.427 0.883 1
1 767 . 10 1 1 A 65 65 HIS HA H 62 4.740 4.169 0.571 1
1 772 . 10 1 1 A 65 65 HIS CA C 62 56.400 58.609 -2.209 1
1 773 . 10 1 1 A 65 65 HIS CB C 62 32.600 29.926 2.674 1
1 776 . 10 1 1 A 65 65 HIS N N 62 123.500 125.060 -1.560 1
1 777 . 10 1 1 A 66 66 GLN HA H 63 3.870 4.452 -0.582 1
1 784 . 10 1 1 A 66 66 GLN C C 63 176.000 176.410 -0.410 1
1 785 . 10 1 1 A 66 66 GLN CA C 63 56.600 55.829 0.771 1
1 786 . 10 1 1 A 66 66 GLN CB C 63 26.800 30.414 -3.614 1
1 790 . 10 1 1 A 67 67 GLY H H 64 8.970 7.691 1.279 1
1 791 . 10 1 1 A 67 67 GLY HA2 H 64 3.680 4.077 -0.397 1
1 792 . 10 1 1 A 67 67 GLY HA3 H 64 4.140 4.085 0.055 1
1 793 . 10 1 1 A 67 67 GLY C C 64 173.800 174.817 -1.017 1
1 794 . 10 1 1 A 67 67 GLY CA C 64 45.600 45.635 -0.035 1
1 795 . 10 1 1 A 67 67 GLY N N 64 104.200 106.164 -1.964 1
1 796 . 10 1 1 A 68 68 GLU H H 65 7.850 8.057 -0.207 1
1 797 . 10 1 1 A 68 68 GLU HA H 65 4.810 4.567 0.243 1
1 802 . 10 1 1 A 68 68 GLU C C 65 174.400 176.219 -1.819 1
1 803 . 10 1 1 A 68 68 GLU CA C 65 54.100 55.456 -1.356 1
1 804 . 10 1 1 A 68 68 GLU CB C 65 34.000 30.250 3.750 1
1 806 . 10 1 1 A 68 68 GLU N N 65 118.800 120.395 -1.595 1
1 807 . 10 1 1 A 69 69 LEU H H 66 8.030 8.694 -0.664 1
1 808 . 10 1 1 A 69 69 LEU HA H 66 4.920 4.872 0.048 1
1 818 . 10 1 1 A 69 69 LEU C C 66 177.100 175.559 1.541 1
1 819 . 10 1 1 A 69 69 LEU CA C 66 54.300 53.509 0.791 1
1 820 . 10 1 1 A 69 69 LEU CB C 66 44.500 42.446 2.054 1
1 824 . 10 1 1 A 69 69 LEU N N 66 119.000 125.111 -6.111 1
1 825 . 10 1 1 A 70 70 TRP H H 67 8.980 8.808 0.172 1
1 826 . 10 1 1 A 70 70 TRP HA H 67 5.140 5.613 -0.473 1
1 835 . 10 1 1 A 70 70 TRP C C 67 174.400 175.139 -0.739 1
1 836 . 10 1 1 A 70 70 TRP CA C 67 55.100 55.629 -0.529 1
1 837 . 10 1 1 A 70 70 TRP CB C 67 31.800 32.367 -0.567 1
1 843 . 10 1 1 A 70 70 TRP N N 67 122.200 125.319 -3.119 1
1 845 . 10 1 1 A 71 71 VAL H H 68 9.490 9.194 0.296 1
1 846 . 10 1 1 A 71 71 VAL HA H 68 4.990 4.862 0.128 1
1 854 . 10 1 1 A 71 71 VAL C C 68 173.000 173.837 -0.837 1
1 855 . 10 1 1 A 71 71 VAL CA C 68 58.500 59.748 -1.248 1
1 856 . 10 1 1 A 71 71 VAL CB C 68 34.300 33.696 0.604 1
1 859 . 10 1 1 A 71 71 VAL N N 68 120.900 123.245 -2.345 1
1 860 . 10 1 1 A 72 72 ALA H H 69 8.550 9.567 -1.017 1
1 861 . 10 1 1 A 72 72 ALA HA H 69 5.280 5.715 -0.435 1
1 865 . 10 1 1 A 72 72 ALA C C 69 178.000 175.623 2.377 1
1 866 . 10 1 1 A 72 72 ALA CA C 69 49.200 50.283 -1.083 1
1 867 . 10 1 1 A 72 72 ALA CB C 69 19.700 21.007 -1.307 1
1 868 . 10 1 1 A 72 72 ALA N N 69 130.000 131.409 -1.409 1
1 869 . 10 1 1 A 73 73 SER H H 70 9.470 9.285 0.185 1
1 870 . 10 1 1 A 73 73 SER HA H 70 4.540 4.846 -0.306 1
1 873 . 10 1 1 A 73 73 SER CA C 70 55.700 56.398 -0.698 1
1 874 . 10 1 1 A 73 73 SER CB C 70 64.400 63.656 0.744 1
1 875 . 10 1 1 A 73 73 SER N N 70 118.100 121.697 -3.597 1
1 876 . 10 1 1 A 74 74 PRO HA H 71 4.540 4.463 0.077 1
1 883 . 10 1 1 A 74 74 PRO C C 71 176.700 178.026 -1.326 1
1 884 . 10 1 1 A 74 74 PRO CA C 71 64.000 64.145 -0.145 1
1 885 . 10 1 1 A 74 74 PRO CB C 71 32.300 31.750 0.550 1
1 888 . 10 1 1 A 75 75 LEU H H 72 7.850 8.300 -0.450 1
1 889 . 10 1 1 A 75 75 LEU HA H 72 4.330 4.094 0.236 1
1 899 . 10 1 1 A 75 75 LEU CA C 72 56.200 57.867 -1.667 1
1 900 . 10 1 1 A 75 75 LEU CB C 72 38.500 41.624 -3.124 1
1 904 . 10 1 1 A 75 75 LEU N N 72 119.300 118.197 1.103 1
1 905 . 10 1 1 A 76 76 LYS HA H 73 4.470 4.552 -0.082 1
1 914 . 10 1 1 A 76 76 LYS C C 73 176.600 175.615 0.985 1
1 915 . 10 1 1 A 76 76 LYS CA C 73 54.600 54.858 -0.258 1
1 916 . 10 1 1 A 76 76 LYS CB C 73 31.700 33.150 -1.450 1
1 920 . 10 1 1 A 77 77 LYS H H 74 7.240 8.021 -0.781 1
1 921 . 10 1 1 A 77 77 LYS HA H 74 4.440 3.804 0.636 1
1 930 . 10 1 1 A 77 77 LYS C C 74 175.500 174.925 0.575 1
1 931 . 10 1 1 A 77 77 LYS CA C 74 57.800 57.333 0.467 1
1 932 . 10 1 1 A 77 77 LYS CB C 74 28.600 29.415 -0.815 1
1 936 . 10 1 1 A 77 77 LYS N N 74 110.900 116.315 -5.415 1
1 937 . 10 1 1 A 78 78 GLN H H 75 8.080 7.861 0.219 1
1 938 . 10 1 1 A 78 78 GLN HA H 75 4.030 4.816 -0.786 1
1 945 . 10 1 1 A 78 78 GLN C C 75 174.500 175.088 -0.588 1
1 946 . 10 1 1 A 78 78 GLN CA C 75 58.400 55.727 2.673 1
1 947 . 10 1 1 A 78 78 GLN CB C 75 27.400 29.863 -2.463 1
1 949 . 10 1 1 A 78 78 GLN N N 75 119.100 117.906 1.194 1
1 951 . 10 1 1 A 79 79 ARG H H 76 9.800 8.774 1.026 1
1 952 . 10 1 1 A 79 79 ARG HA H 76 5.310 5.341 -0.031 1
1 960 . 10 1 1 A 79 79 ARG C C 76 175.800 175.169 0.631 1
1 961 . 10 1 1 A 79 79 ARG CA C 76 55.300 54.746 0.554 1
1 962 . 10 1 1 A 79 79 ARG CB C 76 33.100 32.544 0.556 1
1 965 . 10 1 1 A 79 79 ARG N N 76 122.800 125.176 -2.376 1
1 967 . 10 1 1 A 80 80 PHE H H 77 9.220 9.696 -0.476 1
1 968 . 10 1 1 A 80 80 PHE HA H 77 5.630 5.125 0.505 1
1 976 . 10 1 1 A 80 80 PHE C C 77 175.300 174.435 0.865 1
1 977 . 10 1 1 A 80 80 PHE CA C 77 55.800 56.510 -0.710 1
1 978 . 10 1 1 A 80 80 PHE CB C 77 41.300 42.429 -1.129 1
1 984 . 10 1 1 A 80 80 PHE N N 77 119.400 122.682 -3.282 1
1 985 . 10 1 1 A 81 81 ARG H H 78 9.870 8.800 1.070 1
1 986 . 10 1 1 A 81 81 ARG HA H 78 3.490 3.497 -0.007 1
1 996 . 10 1 1 A 81 81 ARG C C 78 177.400 176.251 1.149 1
1 997 . 10 1 1 A 81 81 ARG CA C 78 58.100 54.776 3.324 1
1 998 . 10 1 1 A 81 81 ARG CB C 78 30.500 28.687 1.813 1
1 1001 . 10 1 1 A 81 81 ARG N N 78 130.100 124.129 5.971 1
1 1004 . 10 1 1 A 82 82 LEU H H 79 7.860 7.644 0.216 1
1 1005 . 10 1 1 A 82 82 LEU HA H 79 3.790 4.039 -0.249 1
1 1015 . 10 1 1 A 82 82 LEU C C 79 177.500 178.138 -0.638 1
1 1016 . 10 1 1 A 82 82 LEU CA C 79 57.600 57.319 0.281 1
1 1017 . 10 1 1 A 82 82 LEU CB C 79 39.600 41.616 -2.016 1
1 1021 . 10 1 1 A 82 82 LEU N N 79 125.300 124.820 0.480 1
1 1022 . 10 1 1 A 83 83 SER H H 80 8.000 7.764 0.236 1
1 1023 . 10 1 1 A 83 83 SER HA H 80 4.200 3.505 0.695 1
1 1026 . 10 1 1 A 83 83 SER C C 80 176.600 174.435 2.165 1
1 1027 . 10 1 1 A 83 83 SER CA C 80 60.100 60.864 -0.764 1
1 1028 . 10 1 1 A 83 83 SER CB C 80 62.500 62.782 -0.282 1
1 1029 . 10 1 1 A 83 83 SER N N 80 109.700 116.089 -6.389 1
1 1030 . 10 1 1 A 84 84 ASP H H 81 7.100 8.262 -1.162 1
1 1031 . 10 1 1 A 84 84 ASP HA H 81 4.090 4.557 -0.467 1
1 1034 . 10 1 1 A 84 84 ASP C C 81 175.900 176.109 -0.209 1
1 1035 . 10 1 1 A 84 84 ASP CA C 81 53.500 55.296 -1.796 1
1 1036 . 10 1 1 A 84 84 ASP CB C 81 41.900 43.644 -1.744 1
1 1037 . 10 1 1 A 84 84 ASP N N 81 117.300 119.424 -2.124 1
1 1038 . 10 1 1 A 85 85 GLY H H 82 8.860 8.493 0.367 1
1 1039 . 10 1 1 A 85 85 GLY HA2 H 82 3.590 4.093 -0.503 1
1 1040 . 10 1 1 A 85 85 GLY HA3 H 82 4.810 4.124 0.686 1
1 1041 . 10 1 1 A 85 85 GLY C C 82 173.700 174.559 -0.859 1
1 1042 . 10 1 1 A 85 85 GLY CA C 82 45.900 45.029 0.871 1
1 1043 . 10 1 1 A 85 85 GLY N N 82 111.300 107.518 3.782 1
1 1044 . 10 1 1 A 86 86 LEU H H 83 7.430 7.607 -0.177 1
1 1045 . 10 1 1 A 86 86 LEU HA H 83 4.290 4.225 0.065 1
1 1055 . 10 1 1 A 86 86 LEU C C 83 176.600 175.442 1.158 1
1 1056 . 10 1 1 A 86 86 LEU CA C 83 56.200 56.018 0.182 1
1 1057 . 10 1 1 A 86 86 LEU CB C 83 43.100 42.520 0.580 1
1 1061 . 10 1 1 A 86 86 LEU N N 83 120.800 122.625 -1.825 1
1 1062 . 10 1 1 A 87 87 CYS H H 84 8.080 8.358 -0.278 1
1 1063 . 10 1 1 A 87 87 CYS HA H 84 5.290 4.788 0.502 1
1 1066 . 10 1 1 A 87 87 CYS C C 84 175.300 175.362 -0.062 1
1 1067 . 10 1 1 A 87 87 CYS CA C 84 56.600 57.437 -0.837 1
1 1068 . 10 1 1 A 87 87 CYS CB C 84 27.800 29.720 -1.920 1
1 1069 . 10 1 1 A 87 87 CYS N N 84 126.300 125.919 0.381 1
1 1070 . 10 1 1 A 88 88 MET H H 85 8.760 9.004 -0.244 1
1 1071 . 10 1 1 A 88 88 MET HA H 85 3.630 4.372 -0.742 1
1 1079 . 10 1 1 A 88 88 MET C C 85 177.500 177.932 -0.432 1
1 1080 . 10 1 1 A 88 88 MET CA C 85 58.800 57.580 1.220 1
1 1081 . 10 1 1 A 88 88 MET CB C 85 33.800 32.459 1.341 1
1 1084 . 10 1 1 A 88 88 MET N N 85 130.500 125.493 5.007 1
1 1085 . 10 1 1 A 89 89 GLU H H 86 9.160 8.053 1.107 1
1 1086 . 10 1 1 A 89 89 GLU HA H 86 3.770 4.124 -0.354 1
1 1091 . 10 1 1 A 89 89 GLU C C 86 177.500 178.464 -0.964 1
1 1092 . 10 1 1 A 89 89 GLU CA C 86 60.900 59.140 1.760 1
1 1093 . 10 1 1 A 89 89 GLU CB C 86 29.300 29.691 -0.391 1
1 1095 . 10 1 1 A 89 89 GLU N N 86 119.200 117.422 1.778 1
1 1096 . 10 1 1 A 90 90 ASP H H 87 7.080 7.797 -0.717 1
1 1097 . 10 1 1 A 90 90 ASP HA H 87 4.590 4.762 -0.172 1
1 1100 . 10 1 1 A 90 90 ASP CA C 87 54.700 54.317 0.383 1
1 1101 . 10 1 1 A 90 90 ASP CB C 87 41.800 40.434 1.366 1
1 1102 . 10 1 1 A 90 90 ASP N N 87 115.800 120.202 -4.402 1
1 1103 . 10 1 1 A 91 91 GLU H H 88 9.340 7.885 1.455 1
1 1104 . 10 1 1 A 91 91 GLU HA H 88 4.290 4.270 0.020 1
1 1109 . 10 1 1 A 91 91 GLU C C 88 178.900 178.398 0.502 1
1 1110 . 10 1 1 A 91 91 GLU CA C 88 59.000 59.681 -0.681 1
1 1111 . 10 1 1 A 91 91 GLU CB C 88 29.100 29.302 -0.202 1
1 1113 . 10 1 1 A 91 91 GLU N N 88 127.400 119.801 7.599 1
1 1114 . 10 1 1 A 92 92 GLN H H 89 8.920 8.111 0.809 1
1 1115 . 10 1 1 A 92 92 GLN HA H 89 4.170 3.890 0.280 1
1 1122 . 10 1 1 A 92 92 GLN C C 89 176.600 177.018 -0.418 1
1 1123 . 10 1 1 A 92 92 GLN CA C 89 57.800 58.788 -0.988 1
1 1124 . 10 1 1 A 92 92 GLN CB C 89 28.400 27.872 0.528 1
1 1127 . 10 1 1 A 92 92 GLN N N 89 120.400 118.205 2.195 1
1 1129 . 10 1 1 A 93 93 PHE H H 90 8.150 8.190 -0.040 1
1 1130 . 10 1 1 A 93 93 PHE HA H 90 4.430 4.636 -0.206 1
1 1138 . 10 1 1 A 93 93 PHE C C 90 172.600 176.397 -3.797 1
1 1139 . 10 1 1 A 93 93 PHE CA C 90 57.800 58.748 -0.948 1
1 1140 . 10 1 1 A 93 93 PHE CB C 90 39.300 40.726 -1.426 1
1 1146 . 10 1 1 A 93 93 PHE N N 90 119.700 113.893 5.807 1
1 1147 . 10 1 1 A 94 94 SER H H 91 7.020 8.414 -1.394 1
1 1148 . 10 1 1 A 94 94 SER HA H 91 4.870 4.683 0.187 1
1 1152 . 10 1 1 A 94 94 SER C C 91 174.100 174.175 -0.075 1
1 1153 . 10 1 1 A 94 94 SER CA C 91 60.900 60.728 0.172 1
1 1154 . 10 1 1 A 94 94 SER CB C 91 63.600 62.164 1.436 1
1 1155 . 10 1 1 A 94 94 SER N N 91 112.700 112.809 -0.109 1
1 1156 . 10 1 1 A 95 95 VAL H H 92 9.120 8.297 0.823 1
1 1157 . 10 1 1 A 95 95 VAL HA H 92 4.810 4.774 0.036 1
1 1165 . 10 1 1 A 95 95 VAL C C 92 175.700 175.468 0.232 1
1 1166 . 10 1 1 A 95 95 VAL CA C 92 59.200 61.490 -2.290 1
1 1167 . 10 1 1 A 95 95 VAL CB C 92 35.700 33.066 2.634 1
1 1170 . 10 1 1 A 95 95 VAL N N 92 116.900 119.399 -2.499 1
1 1171 . 10 1 1 A 96 96 LYS H H 93 8.390 8.422 -0.032 1
1 1172 . 10 1 1 A 96 96 LYS HA H 93 4.010 4.288 -0.278 1
1 1181 . 10 1 1 A 96 96 LYS C C 93 174.800 176.197 -1.397 1
1 1182 . 10 1 1 A 96 96 LYS CA C 93 57.700 56.920 0.780 1
1 1183 . 10 1 1 A 96 96 LYS CB C 93 34.000 32.735 1.265 1
1 1187 . 10 1 1 A 96 96 LYS N N 93 120.300 124.758 -4.458 1
1 1188 . 10 1 1 A 97 97 HIS H H 94 8.030 8.828 -0.798 1
1 1189 . 10 1 1 A 97 97 HIS HA H 94 5.060 4.948 0.112 1
1 1194 . 10 1 1 A 97 97 HIS C C 94 172.600 173.582 -0.982 1
1 1195 . 10 1 1 A 97 97 HIS CA C 94 54.700 56.033 -1.333 1
1 1196 . 10 1 1 A 97 97 HIS CB C 94 31.400 31.367 0.033 1
1 1199 . 10 1 1 A 97 97 HIS N N 94 121.000 127.463 -6.463 1
1 1200 . 10 1 1 A 98 98 TYR H H 95 7.610 8.942 -1.332 1
1 1201 . 10 1 1 A 98 98 TYR HA H 95 4.410 4.858 -0.448 1
1 1208 . 10 1 1 A 98 98 TYR C C 95 173.600 174.912 -1.312 1
1 1209 . 10 1 1 A 98 98 TYR CA C 95 56.400 56.602 -0.202 1
1 1210 . 10 1 1 A 98 98 TYR CB C 95 40.900 42.847 -1.947 1
1 1215 . 10 1 1 A 98 98 TYR N N 95 121.800 124.120 -2.320 1
1 1216 . 10 1 1 A 99 99 GLU H H 96 8.480 8.856 -0.376 1
1 1217 . 10 1 1 A 99 99 GLU HA H 96 4.420 4.855 -0.435 1
1 1222 . 10 1 1 A 99 99 GLU C C 96 174.300 175.669 -1.369 1
1 1223 . 10 1 1 A 99 99 GLU CA C 96 56.600 55.744 0.856 1
1 1224 . 10 1 1 A 99 99 GLU CB C 96 30.700 30.759 -0.059 1
1 1226 . 10 1 1 A 99 99 GLU N N 96 122.200 121.479 0.721 1
1 1227 . 10 1 1 A 100 100 ALA H H 97 8.420 9.166 -0.746 1
1 1228 . 10 1 1 A 100 100 ALA HA H 97 5.940 6.024 -0.084 1
1 1232 . 10 1 1 A 100 100 ALA C C 97 176.100 175.748 0.352 1
1 1233 . 10 1 1 A 100 100 ALA CA C 97 50.400 50.226 0.174 1
1 1234 . 10 1 1 A 100 100 ALA CB C 97 23.700 22.948 0.752 1
1 1235 . 10 1 1 A 100 100 ALA N N 97 124.100 127.622 -3.522 1
1 1236 . 10 1 1 A 101 101 ARG H H 98 9.000 9.120 -0.120 1
1 1237 . 10 1 1 A 101 101 ARG HA H 98 4.640 5.033 -0.393 1
1 1245 . 10 1 1 A 101 101 ARG C C 98 172.100 173.746 -1.646 1
1 1246 . 10 1 1 A 101 101 ARG CA C 98 54.200 54.163 0.037 1
1 1247 . 10 1 1 A 101 101 ARG CB C 98 32.800 33.858 -1.058 1
1 1250 . 10 1 1 A 101 101 ARG N N 98 118.400 117.752 0.648 1
1 1252 . 10 1 1 A 102 102 VAL H H 99 8.330 8.421 -0.091 1
1 1253 . 10 1 1 A 102 102 VAL HA H 99 4.720 4.801 -0.081 1
1 1261 . 10 1 1 A 102 102 VAL C C 99 175.200 173.826 1.374 1
1 1262 . 10 1 1 A 102 102 VAL CA C 99 61.100 61.606 -0.506 1
1 1263 . 10 1 1 A 102 102 VAL CB C 99 32.700 32.600 0.100 1
1 1266 . 10 1 1 A 102 102 VAL N N 99 119.500 121.764 -2.264 1
1 1267 . 10 1 1 A 103 103 LYS H H 100 9.070 9.340 -0.270 1
1 1268 . 10 1 1 A 103 103 LYS HA H 100 4.460 4.626 -0.166 1
1 1277 . 10 1 1 A 103 103 LYS C C 100 175.700 175.576 0.124 1
1 1278 . 10 1 1 A 103 103 LYS CA C 100 54.300 55.151 -0.851 1
1 1279 . 10 1 1 A 103 103 LYS CB C 100 34.800 34.566 0.234 1
1 1283 . 10 1 1 A 103 103 LYS N N 100 130.200 128.541 1.659 1
1 1284 . 10 1 1 A 104 104 ASP H H 101 9.560 9.325 0.235 1
1 1285 . 10 1 1 A 104 104 ASP HA H 101 4.210 4.265 -0.055 1
1 1288 . 10 1 1 A 104 104 ASP C C 101 175.800 175.389 0.411 1
1 1289 . 10 1 1 A 104 104 ASP CA C 101 55.500 55.037 0.463 1
1 1290 . 10 1 1 A 104 104 ASP CB C 101 39.700 39.731 -0.031 1
1 1291 . 10 1 1 A 104 104 ASP N N 101 130.600 126.874 3.726 1
1 1292 . 10 1 1 A 105 105 GLY H H 102 8.260 8.463 -0.203 1
1 1293 . 10 1 1 A 105 105 GLY HA2 H 102 3.450 3.813 -0.363 1
1 1294 . 10 1 1 A 105 105 GLY HA3 H 102 4.170 3.817 0.353 1
1 1295 . 10 1 1 A 105 105 GLY C C 102 173.300 173.743 -0.443 1
1 1296 . 10 1 1 A 105 105 GLY CA C 102 45.300 45.427 -0.127 1
1 1297 . 10 1 1 A 105 105 GLY N N 102 101.900 104.894 -2.994 1
1 1298 . 10 1 1 A 106 106 VAL H H 103 7.900 7.975 -0.075 1
1 1299 . 10 1 1 A 106 106 VAL HA H 103 4.270 4.302 -0.032 1
1 1307 . 10 1 1 A 106 106 VAL C C 103 175.100 174.918 0.182 1
1 1308 . 10 1 1 A 106 106 VAL CA C 103 62.100 61.245 0.855 1
1 1309 . 10 1 1 A 106 106 VAL CB C 103 34.100 33.811 0.289 1
1 1312 . 10 1 1 A 106 106 VAL N N 103 123.800 122.141 1.659 1
1 1313 . 10 1 1 A 107 107 VAL H H 104 9.290 9.426 -0.136 1
1 1314 . 10 1 1 A 107 107 VAL HA H 104 4.220 4.299 -0.079 1
1 1322 . 10 1 1 A 107 107 VAL C C 104 174.300 175.483 -1.183 1
1 1323 . 10 1 1 A 107 107 VAL CA C 104 62.700 62.793 -0.093 1
1 1324 . 10 1 1 A 107 107 VAL CB C 104 31.500 31.528 -0.028 1
1 1327 . 10 1 1 A 107 107 VAL N N 104 127.300 128.318 -1.018 1
1 1328 . 10 1 1 A 108 108 GLN H H 105 9.410 9.307 0.103 1
1 1329 . 10 1 1 A 108 108 GLN HA H 105 5.720 5.201 0.519 1
1 1336 . 10 1 1 A 108 108 GLN C C 105 174.900 174.691 0.209 1
1 1337 . 10 1 1 A 108 108 GLN CA C 105 53.400 54.661 -1.261 1
1 1338 . 10 1 1 A 108 108 GLN CB C 105 34.600 31.619 2.981 1
1 1341 . 10 1 1 A 108 108 GLN N N 105 126.500 126.991 -0.491 1
1 1343 . 10 1 1 A 109 109 LEU H H 106 8.530 8.957 -0.427 1
1 1344 . 10 1 1 A 109 109 LEU HA H 106 5.760 5.157 0.603 1
1 1354 . 10 1 1 A 109 109 LEU C C 106 176.300 174.254 2.046 1
1 1355 . 10 1 1 A 109 109 LEU CA C 106 52.800 53.483 -0.683 1
1 1356 . 10 1 1 A 109 109 LEU CB C 106 48.900 45.601 3.299 1
1 1360 . 10 1 1 A 109 109 LEU N N 106 118.900 125.657 -6.757 1
1 1361 . 10 1 1 A 110 110 ARG H H 107 8.310 9.405 -1.095 1
1 1362 . 10 1 1 A 110 110 ARG HA H 107 4.230 4.826 -0.596 1
1 1370 . 10 1 1 A 110 110 ARG C C 107 174.800 174.913 -0.113 1
1 1371 . 10 1 1 A 110 110 ARG CA C 107 55.700 53.728 1.972 1
1 1372 . 10 1 1 A 110 110 ARG CB C 107 31.900 31.782 0.118 1
1 1375 . 10 1 1 A 110 110 ARG N N 107 119.900 127.344 -7.444 1
1 1377 . 10 1 1 A 111 111 GLY H H 108 8.390 8.925 -0.535 1
1 1378 . 10 1 1 A 111 111 GLY HA2 H 108 3.880 4.476 -0.596 1
1 1379 . 10 1 1 A 111 111 GLY HA3 H 108 4.130 4.524 -0.394 1
1 1380 . 10 1 1 A 111 111 GLY C C 108 173.500 173.111 0.389 1
1 1381 . 10 1 1 A 111 111 GLY CA C 108 45.000 44.600 0.400 1
1 1382 . 10 1 1 A 111 111 GLY N N 108 110.000 113.156 -3.156 1
1 1383 . 10 1 1 A 112 112 GLY H H 109 8.280 9.105 -0.825 1
1 1384 . 10 1 1 A 112 112 GLY HA2 H 109 3.850 3.824 0.026 1
1 1385 . 10 1 1 A 112 112 GLY HA3 H 109 3.950 3.833 0.117 1
1 1386 . 10 1 1 A 112 112 GLY C C 109 173.200 174.099 -0.899 1
1 1387 . 10 1 1 A 112 112 GLY CA C 109 45.100 46.748 -1.648 1
1 1388 . 10 1 1 A 112 112 GLY N N 109 108.400 113.761 -5.361 1
1 10 . 11 1 1 A 5 5 SER H H 2 8.360 8.072 0.288 1
1 11 . 11 1 1 A 5 5 SER HA H 2 4.400 4.523 -0.123 1
1 14 . 11 1 1 A 5 5 SER C C 2 174.100 173.460 0.640 1
1 15 . 11 1 1 A 5 5 SER CA C 2 58.200 57.040 1.160 1
1 16 . 11 1 1 A 5 5 SER CB C 2 63.700 63.047 0.653 1
1 17 . 11 1 1 A 5 5 SER N N 2 117.000 111.897 5.103 1
1 18 . 11 1 1 A 6 6 GLN H H 3 8.280 8.279 0.001 1
1 19 . 11 1 1 A 6 6 GLN HA H 3 4.320 4.578 -0.258 1
1 26 . 11 1 1 A 6 6 GLN C C 3 175.500 174.575 0.925 1
1 27 . 11 1 1 A 6 6 GLN CA C 3 55.400 54.906 0.494 1
1 28 . 11 1 1 A 6 6 GLN CB C 3 30.100 27.550 2.550 1
1 31 . 11 1 1 A 6 6 GLN N N 3 121.800 123.139 -1.339 1
1 33 . 11 1 1 A 7 7 TRP H H 4 8.170 8.670 -0.500 1
1 34 . 11 1 1 A 7 7 TRP HA H 4 4.470 5.182 -0.712 1
1 43 . 11 1 1 A 7 7 TRP C C 4 176.200 175.788 0.412 1
1 44 . 11 1 1 A 7 7 TRP CA C 4 57.600 56.556 1.044 1
1 45 . 11 1 1 A 7 7 TRP CB C 4 30.300 28.724 1.576 1
1 51 . 11 1 1 A 7 7 TRP N N 4 122.300 126.586 -4.286 1
1 53 . 11 1 1 A 8 8 LYS H H 5 9.370 8.763 0.607 1
1 54 . 11 1 1 A 8 8 LYS HA H 5 4.690 4.583 0.107 1
1 63 . 11 1 1 A 8 8 LYS C C 5 175.600 176.061 -0.461 1
1 64 . 11 1 1 A 8 8 LYS CA C 5 54.200 56.236 -2.036 1
1 65 . 11 1 1 A 8 8 LYS CB C 5 34.700 33.174 1.526 1
1 69 . 11 1 1 A 8 8 LYS N N 5 125.100 126.762 -1.662 1
1 70 . 11 1 1 A 9 9 ASP H H 6 8.730 8.675 0.055 1
1 71 . 11 1 1 A 9 9 ASP HA H 6 4.500 5.127 -0.627 1
1 74 . 11 1 1 A 9 9 ASP C C 6 176.200 175.787 0.413 1
1 75 . 11 1 1 A 9 9 ASP CA C 6 55.400 53.457 1.943 1
1 76 . 11 1 1 A 9 9 ASP CB C 6 40.700 40.360 0.340 1
1 77 . 11 1 1 A 9 9 ASP N N 6 125.400 126.170 -0.770 1
1 78 . 11 1 1 A 10 10 ILE H H 7 9.300 8.747 0.553 1
1 79 . 11 1 1 A 10 10 ILE HA H 7 4.300 4.003 0.297 1
1 89 . 11 1 1 A 10 10 ILE C C 7 175.500 176.382 -0.882 1
1 90 . 11 1 1 A 10 10 ILE CA C 7 60.000 63.550 -3.550 1
1 91 . 11 1 1 A 10 10 ILE CB C 7 37.700 38.115 -0.415 1
1 95 . 11 1 1 A 10 10 ILE N N 7 122.900 127.884 -4.984 1
1 96 . 11 1 1 A 11 11 CYS H H 8 7.510 7.724 -0.214 1
1 97 . 11 1 1 A 11 11 CYS HA H 8 4.880 4.767 0.113 1
1 100 . 11 1 1 A 11 11 CYS C C 8 172.300 173.582 -1.282 1
1 101 . 11 1 1 A 11 11 CYS CA C 8 55.700 56.676 -0.976 1
1 102 . 11 1 1 A 11 11 CYS CB C 8 28.800 30.829 -2.029 1
1 103 . 11 1 1 A 11 11 CYS N N 8 111.400 115.422 -4.022 1
1 104 . 11 1 1 A 12 12 LYS H H 9 8.920 8.584 0.336 1
1 105 . 11 1 1 A 12 12 LYS HA H 9 4.880 4.402 0.478 1
1 114 . 11 1 1 A 12 12 LYS C C 9 179.400 177.839 1.561 1
1 115 . 11 1 1 A 12 12 LYS CA C 9 55.700 56.350 -0.650 1
1 116 . 11 1 1 A 12 12 LYS CB C 9 32.100 32.779 -0.679 1
1 120 . 11 1 1 A 12 12 LYS N N 9 120.100 120.145 -0.045 1
1 121 . 11 1 1 A 13 13 ILE H H 10 8.640 9.287 -0.647 1
1 122 . 11 1 1 A 13 13 ILE HA H 10 3.990 3.950 0.040 1
1 132 . 11 1 1 A 13 13 ILE C C 10 174.900 176.783 -1.883 1
1 133 . 11 1 1 A 13 13 ILE CA C 10 61.000 63.191 -2.191 1
1 134 . 11 1 1 A 13 13 ILE CB C 10 37.800 38.093 -0.293 1
1 138 . 11 1 1 A 13 13 ILE N N 10 123.700 125.567 -1.867 1
1 139 . 11 1 1 A 14 14 ASP H H 11 7.600 8.389 -0.789 1
1 140 . 11 1 1 A 14 14 ASP HA H 11 4.350 4.367 -0.017 1
1 143 . 11 1 1 A 14 14 ASP C C 11 176.500 177.951 -1.451 1
1 144 . 11 1 1 A 14 14 ASP CA C 11 55.400 57.243 -1.843 1
1 145 . 11 1 1 A 14 14 ASP CB C 11 40.400 41.547 -1.147 1
1 146 . 11 1 1 A 14 14 ASP N N 11 115.800 121.817 -6.017 1
1 147 . 11 1 1 A 15 15 ASP H H 12 7.600 8.094 -0.494 1
1 148 . 11 1 1 A 15 15 ASP HA H 12 4.490 4.367 0.123 1
1 151 . 11 1 1 A 15 15 ASP C C 12 175.600 176.538 -0.938 1
1 152 . 11 1 1 A 15 15 ASP CA C 12 55.500 57.164 -1.664 1
1 153 . 11 1 1 A 15 15 ASP CB C 12 40.900 41.370 -0.470 1
1 154 . 11 1 1 A 15 15 ASP N N 12 116.800 118.097 -1.297 1
1 155 . 11 1 1 A 16 16 ILE H H 13 7.700 7.671 0.029 1
1 156 . 11 1 1 A 16 16 ILE HA H 13 4.000 4.055 -0.055 1
1 166 . 11 1 1 A 16 16 ILE C C 13 174.100 175.205 -1.105 1
1 167 . 11 1 1 A 16 16 ILE CA C 13 60.500 61.112 -0.612 1
1 168 . 11 1 1 A 16 16 ILE CB C 13 38.200 37.386 0.814 1
1 172 . 11 1 1 A 16 16 ILE N N 13 120.900 119.882 1.018 1
1 173 . 11 1 1 A 17 17 LEU H H 14 7.970 8.677 -0.707 1
1 174 . 11 1 1 A 17 17 LEU HA H 14 4.370 4.541 -0.171 1
1 184 . 11 1 1 A 17 17 LEU CA C 14 53.800 53.520 0.280 1
1 185 . 11 1 1 A 17 17 LEU CB C 14 40.500 40.765 -0.265 1
1 189 . 11 1 1 A 17 17 LEU N N 14 127.800 129.685 -1.885 1
1 190 . 11 1 1 A 18 18 PRO HA H 15 4.080 4.244 -0.164 1
1 197 . 11 1 1 A 18 18 PRO C C 15 175.700 176.788 -1.088 1
1 198 . 11 1 1 A 18 18 PRO CA C 15 64.300 63.731 0.569 1
1 199 . 11 1 1 A 18 18 PRO CB C 15 31.600 31.673 -0.073 1
1 202 . 11 1 1 A 19 19 GLU H H 16 8.930 8.627 0.303 1
1 203 . 11 1 1 A 19 19 GLU HA H 16 3.660 3.877 -0.217 1
1 208 . 11 1 1 A 19 19 GLU C C 16 175.500 174.938 0.562 1
1 209 . 11 1 1 A 19 19 GLU CA C 16 58.300 57.427 0.873 1
1 210 . 11 1 1 A 19 19 GLU CB C 16 27.300 28.245 -0.945 1
1 212 . 11 1 1 A 19 19 GLU N N 16 113.700 116.703 -3.003 1
1 213 . 11 1 1 A 20 20 THR H H 17 7.790 7.214 0.576 1
1 214 . 11 1 1 A 20 20 THR HA H 17 5.080 4.983 0.097 1
1 220 . 11 1 1 A 20 20 THR C C 17 172.100 173.050 -0.950 1
1 221 . 11 1 1 A 20 20 THR CA C 17 60.700 60.682 0.018 1
1 222 . 11 1 1 A 20 20 THR CB C 17 73.100 72.159 0.941 1
1 224 . 11 1 1 A 20 20 THR N N 17 110.000 112.801 -2.801 1
1 225 . 11 1 1 A 21 21 GLY H H 18 8.080 9.055 -0.975 1
1 226 . 11 1 1 A 21 21 GLY HA2 H 18 3.070 4.100 -1.030 1
1 227 . 11 1 1 A 21 21 GLY HA3 H 18 5.270 4.111 1.159 1
1 228 . 11 1 1 A 21 21 GLY C C 18 173.400 172.249 1.151 1
1 229 . 11 1 1 A 21 21 GLY CA C 18 44.600 44.433 0.167 1
1 230 . 11 1 1 A 21 21 GLY N N 18 103.700 114.153 -10.453 1
1 231 . 11 1 1 A 22 22 VAL H H 19 8.520 8.886 -0.366 1
1 232 . 11 1 1 A 22 22 VAL HA H 19 4.570 4.976 -0.406 1
1 240 . 11 1 1 A 22 22 VAL C C 19 172.900 174.055 -1.155 1
1 241 . 11 1 1 A 22 22 VAL CA C 19 58.900 58.586 0.314 1
1 242 . 11 1 1 A 22 22 VAL CB C 19 35.900 35.298 0.602 1
1 245 . 11 1 1 A 22 22 VAL N N 19 112.900 118.555 -5.655 1
1 246 . 11 1 1 A 23 23 CYS H H 20 8.290 8.383 -0.093 1
1 247 . 11 1 1 A 23 23 CYS HA H 20 5.250 5.081 0.169 1
1 250 . 11 1 1 A 23 23 CYS C C 20 173.500 174.305 -0.805 1
1 251 . 11 1 1 A 23 23 CYS CA C 20 56.300 57.600 -1.300 1
1 252 . 11 1 1 A 23 23 CYS CB C 20 27.600 29.070 -1.470 1
1 253 . 11 1 1 A 23 23 CYS N N 20 120.700 120.492 0.208 1
1 254 . 11 1 1 A 24 24 ALA H H 21 9.590 9.335 0.255 1
1 255 . 11 1 1 A 24 24 ALA HA H 21 4.580 5.098 -0.518 1
1 259 . 11 1 1 A 24 24 ALA C C 21 174.400 175.614 -1.214 1
1 260 . 11 1 1 A 24 24 ALA CA C 21 50.200 50.345 -0.145 1
1 261 . 11 1 1 A 24 24 ALA CB C 21 23.400 23.186 0.214 1
1 262 . 11 1 1 A 24 24 ALA N N 21 132.500 126.989 5.511 1
1 263 . 11 1 1 A 25 25 LEU H H 22 8.100 8.774 -0.674 1
1 264 . 11 1 1 A 25 25 LEU HA H 22 4.860 4.882 -0.022 1
1 274 . 11 1 1 A 25 25 LEU C C 22 175.800 174.759 1.041 1
1 275 . 11 1 1 A 25 25 LEU CA C 22 53.800 53.815 -0.015 1
1 276 . 11 1 1 A 25 25 LEU CB C 22 43.600 42.766 0.834 1
1 280 . 11 1 1 A 25 25 LEU N N 22 120.700 121.525 -0.825 1
1 281 . 11 1 1 A 26 26 LEU H H 23 8.660 8.831 -0.171 1
1 282 . 11 1 1 A 26 26 LEU HA H 23 4.410 4.572 -0.162 1
1 292 . 11 1 1 A 26 26 LEU C C 23 176.600 176.675 -0.075 1
1 293 . 11 1 1 A 26 26 LEU CA C 23 53.100 53.849 -0.749 1
1 294 . 11 1 1 A 26 26 LEU CB C 23 43.400 42.212 1.188 1
1 298 . 11 1 1 A 26 26 LEU N N 23 125.800 125.975 -0.175 1
1 299 . 11 1 1 A 27 27 GLY H H 24 8.910 8.874 0.036 1
1 300 . 11 1 1 A 27 27 GLY HA2 H 24 3.560 3.833 -0.273 1
1 301 . 11 1 1 A 27 27 GLY HA3 H 24 4.000 3.836 0.164 1
1 302 . 11 1 1 A 27 27 GLY C C 24 173.800 174.476 -0.676 1
1 303 . 11 1 1 A 27 27 GLY CA C 24 47.300 47.325 -0.025 1
1 304 . 11 1 1 A 27 27 GLY N N 24 118.300 115.353 2.947 1
1 305 . 11 1 1 A 28 28 ASP H H 25 8.800 8.347 0.453 1
1 306 . 11 1 1 A 28 28 ASP HA H 25 4.690 4.702 -0.012 1
1 309 . 11 1 1 A 28 28 ASP C C 25 176.100 175.195 0.905 1
1 310 . 11 1 1 A 28 28 ASP CA C 25 53.900 53.840 0.060 1
1 311 . 11 1 1 A 28 28 ASP CB C 25 41.300 41.647 -0.347 1
1 312 . 11 1 1 A 28 28 ASP N N 25 126.600 126.071 0.529 1
1 313 . 11 1 1 A 29 29 GLU H H 26 8.100 7.877 0.223 1
1 314 . 11 1 1 A 29 29 GLU HA H 26 4.440 4.817 -0.377 1
1 319 . 11 1 1 A 29 29 GLU C C 26 174.800 175.818 -1.018 1
1 320 . 11 1 1 A 29 29 GLU CA C 26 55.800 54.899 0.901 1
1 321 . 11 1 1 A 29 29 GLU CB C 26 30.600 31.891 -1.291 1
1 323 . 11 1 1 A 29 29 GLU N N 26 120.400 118.567 1.833 1
1 324 . 11 1 1 A 30 30 GLN H H 27 8.640 8.578 0.062 1
1 325 . 11 1 1 A 30 30 GLN HA H 27 4.510 4.624 -0.114 1
1 332 . 11 1 1 A 30 30 GLN C C 27 175.800 174.328 1.472 1
1 333 . 11 1 1 A 30 30 GLN CA C 27 55.700 55.865 -0.165 1
1 334 . 11 1 1 A 30 30 GLN CB C 27 29.300 29.519 -0.219 1
1 336 . 11 1 1 A 30 30 GLN N N 27 121.300 122.326 -1.026 1
1 338 . 11 1 1 A 31 31 VAL H H 28 9.280 9.278 0.002 1
1 339 . 11 1 1 A 31 31 VAL HA H 28 4.040 4.480 -0.440 1
1 347 . 11 1 1 A 31 31 VAL C C 28 172.900 174.277 -1.377 1
1 348 . 11 1 1 A 31 31 VAL CA C 28 61.900 60.861 1.039 1
1 349 . 11 1 1 A 31 31 VAL CB C 28 34.800 33.841 0.959 1
1 352 . 11 1 1 A 31 31 VAL N N 28 128.600 125.433 3.167 1
1 353 . 11 1 1 A 32 32 ALA H H 29 9.440 9.268 0.172 1
1 354 . 11 1 1 A 32 32 ALA HA H 29 4.680 4.869 -0.189 1
1 358 . 11 1 1 A 32 32 ALA C C 29 175.200 175.352 -0.152 1
1 359 . 11 1 1 A 32 32 ALA CA C 29 50.500 50.132 0.368 1
1 360 . 11 1 1 A 32 32 ALA CB C 29 20.200 20.386 -0.186 1
1 361 . 11 1 1 A 32 32 ALA N N 29 130.400 128.641 1.759 1
1 362 . 11 1 1 A 33 33 ILE H H 30 8.590 8.520 0.070 1
1 363 . 11 1 1 A 33 33 ILE HA H 30 4.680 4.573 0.107 1
1 373 . 11 1 1 A 33 33 ILE C C 30 174.800 175.145 -0.345 1
1 374 . 11 1 1 A 33 33 ILE CA C 30 59.900 60.288 -0.388 1
1 375 . 11 1 1 A 33 33 ILE CB C 30 39.300 37.669 1.631 1
1 379 . 11 1 1 A 33 33 ILE N N 30 120.600 123.750 -3.150 1
1 380 . 11 1 1 A 34 34 PHE H H 31 9.430 9.301 0.129 1
1 381 . 11 1 1 A 34 34 PHE HA H 31 5.070 5.107 -0.037 1
1 386 . 11 1 1 A 34 34 PHE C C 31 174.800 174.667 0.133 1
1 387 . 11 1 1 A 34 34 PHE CA C 31 57.200 56.972 0.228 1
1 388 . 11 1 1 A 34 34 PHE CB C 31 43.400 40.890 2.510 1
1 391 . 11 1 1 A 34 34 PHE N N 31 121.800 126.942 -5.142 1
1 392 . 11 1 1 A 35 35 ARG H H 32 8.450 8.941 -0.491 1
1 393 . 11 1 1 A 35 35 ARG HA H 32 5.470 4.915 0.555 1
1 403 . 11 1 1 A 35 35 ARG CA C 32 52.000 52.568 -0.568 1
1 404 . 11 1 1 A 35 35 ARG CB C 32 33.200 31.418 1.782 1
1 407 . 11 1 1 A 35 35 ARG N N 32 123.000 125.161 -2.161 1
1 410 . 11 1 1 A 36 36 PRO HA H 33 3.910 4.532 -0.622 1
1 417 . 11 1 1 A 36 36 PRO C C 33 174.300 175.973 -1.673 1
1 418 . 11 1 1 A 36 36 PRO CA C 33 64.600 64.829 -0.229 1
1 419 . 11 1 1 A 36 36 PRO CB C 33 32.800 32.132 0.668 1
1 422 . 11 1 1 A 37 37 TYR H H 34 9.000 7.812 1.188 1
1 423 . 11 1 1 A 37 37 TYR HA H 34 5.250 4.838 0.412 1
1 430 . 11 1 1 A 37 37 TYR C C 34 175.000 176.691 -1.691 1
1 431 . 11 1 1 A 37 37 TYR CA C 34 54.200 57.687 -3.487 1
1 432 . 11 1 1 A 37 37 TYR CB C 34 41.000 40.172 0.828 1
1 437 . 11 1 1 A 37 37 TYR N N 34 115.500 118.249 -2.749 1
1 438 . 11 1 1 A 38 38 HIS H H 35 8.700 9.099 -0.399 1
1 439 . 11 1 1 A 38 38 HIS HA H 35 4.490 4.482 0.008 1
1 444 . 11 1 1 A 38 38 HIS C C 35 175.800 175.443 0.357 1
1 445 . 11 1 1 A 38 38 HIS CA C 35 56.400 58.578 -2.178 1
1 446 . 11 1 1 A 38 38 HIS CB C 35 28.600 30.705 -2.105 1
1 449 . 11 1 1 A 38 38 HIS N N 35 119.000 122.626 -3.626 1
1 450 . 11 1 1 A 39 39 SER H H 36 7.890 8.035 -0.145 1
1 451 . 11 1 1 A 39 39 SER HA H 36 4.770 4.603 0.167 1
1 454 . 11 1 1 A 39 39 SER C C 36 173.800 173.750 0.050 1
1 455 . 11 1 1 A 39 39 SER CA C 36 57.000 57.973 -0.973 1
1 456 . 11 1 1 A 39 39 SER CB C 36 64.700 65.212 -0.512 1
1 457 . 11 1 1 A 39 39 SER N N 36 115.500 114.380 1.120 1
1 458 . 11 1 1 A 40 40 ASP H H 37 8.540 8.582 -0.042 1
1 459 . 11 1 1 A 40 40 ASP HA H 37 4.540 4.769 -0.229 1
1 462 . 11 1 1 A 40 40 ASP C C 37 174.700 175.394 -0.694 1
1 463 . 11 1 1 A 40 40 ASP CA C 37 53.800 53.805 -0.005 1
1 464 . 11 1 1 A 40 40 ASP CB C 37 39.600 39.583 0.017 1
1 465 . 11 1 1 A 40 40 ASP N N 37 119.400 121.896 -2.496 1
1 466 . 11 1 1 A 41 41 GLN H H 38 7.490 8.234 -0.744 1
1 467 . 11 1 1 A 41 41 GLN HA H 38 4.140 4.860 -0.720 1
1 474 . 11 1 1 A 41 41 GLN C C 38 175.500 174.599 0.901 1
1 475 . 11 1 1 A 41 41 GLN CA C 38 57.100 54.400 2.700 1
1 476 . 11 1 1 A 41 41 GLN CB C 38 29.400 30.697 -1.297 1
1 479 . 11 1 1 A 41 41 GLN N N 38 118.700 120.411 -1.711 1
1 481 . 11 1 1 A 42 42 VAL H H 39 7.800 8.832 -1.032 1
1 482 . 11 1 1 A 42 42 VAL HA H 39 5.600 5.112 0.488 1
1 490 . 11 1 1 A 42 42 VAL C C 39 174.200 174.236 -0.036 1
1 491 . 11 1 1 A 42 42 VAL CA C 39 58.200 59.669 -1.469 1
1 492 . 11 1 1 A 42 42 VAL CB C 39 36.500 34.559 1.941 1
1 495 . 11 1 1 A 42 42 VAL N N 39 116.100 117.786 -1.686 1
1 496 . 11 1 1 A 43 43 PHE H H 40 8.480 9.505 -1.025 1
1 497 . 11 1 1 A 43 43 PHE HA H 40 4.870 5.338 -0.468 1
1 504 . 11 1 1 A 43 43 PHE C C 40 173.900 174.834 -0.934 1
1 505 . 11 1 1 A 43 43 PHE CA C 40 56.800 56.174 0.626 1
1 506 . 11 1 1 A 43 43 PHE CB C 40 45.300 42.723 2.577 1
1 511 . 11 1 1 A 43 43 PHE N N 40 117.200 122.679 -5.479 1
1 512 . 11 1 1 A 44 44 ALA H H 41 9.520 9.127 0.393 1
1 513 . 11 1 1 A 44 44 ALA HA H 41 6.200 5.743 0.457 1
1 517 . 11 1 1 A 44 44 ALA C C 41 176.300 176.491 -0.191 1
1 518 . 11 1 1 A 44 44 ALA CA C 41 50.900 50.386 0.514 1
1 519 . 11 1 1 A 44 44 ALA CB C 41 24.100 21.717 2.383 1
1 520 . 11 1 1 A 44 44 ALA N N 41 125.100 124.902 0.198 1
1 521 . 11 1 1 A 45 45 ILE H H 42 8.970 8.752 0.218 1
1 522 . 11 1 1 A 45 45 ILE HA H 42 5.580 5.311 0.269 1
1 532 . 11 1 1 A 45 45 ILE C C 42 174.600 174.823 -0.223 1
1 533 . 11 1 1 A 45 45 ILE CA C 42 59.300 58.883 0.417 1
1 534 . 11 1 1 A 45 45 ILE CB C 42 44.300 41.773 2.527 1
1 538 . 11 1 1 A 45 45 ILE N N 42 117.100 118.048 -0.948 1
1 539 . 11 1 1 A 46 46 SER H H 43 8.460 8.494 -0.034 1
1 540 . 11 1 1 A 46 46 SER HA H 43 4.350 4.642 -0.292 1
1 543 . 11 1 1 A 46 46 SER C C 43 172.100 175.605 -3.505 1
1 544 . 11 1 1 A 46 46 SER CA C 43 59.500 58.809 0.691 1
1 545 . 11 1 1 A 46 46 SER CB C 43 64.900 63.672 1.228 1
1 546 . 11 1 1 A 46 46 SER N N 43 112.400 118.484 -6.084 1
1 547 . 11 1 1 A 47 47 ASN H H 44 7.990 9.336 -1.346 1
1 548 . 11 1 1 A 47 47 ASN HA H 44 4.940 4.552 0.388 1
1 553 . 11 1 1 A 47 47 ASN C C 44 175.800 175.117 0.683 1
1 554 . 11 1 1 A 47 47 ASN CA C 44 53.800 55.097 -1.297 1
1 555 . 11 1 1 A 47 47 ASN CB C 44 40.600 38.780 1.820 1
1 556 . 11 1 1 A 47 47 ASN N N 44 117.800 125.373 -7.573 1
1 558 . 11 1 1 A 48 48 ILE H H 45 8.190 8.074 0.116 1
1 559 . 11 1 1 A 48 48 ILE HA H 45 4.100 4.486 -0.386 1
1 569 . 11 1 1 A 48 48 ILE C C 45 175.200 174.391 0.809 1
1 570 . 11 1 1 A 48 48 ILE CA C 45 59.400 60.379 -0.979 1
1 571 . 11 1 1 A 48 48 ILE CB C 45 36.500 39.118 -2.618 1
1 575 . 11 1 1 A 48 48 ILE N N 45 118.300 119.587 -1.287 1
1 576 . 11 1 1 A 49 49 ASP H H 46 8.720 8.550 0.170 1
1 577 . 11 1 1 A 49 49 ASP HA H 46 4.530 4.951 -0.421 1
1 580 . 11 1 1 A 49 49 ASP CA C 46 51.400 51.285 0.115 1
1 581 . 11 1 1 A 49 49 ASP CB C 46 42.900 42.216 0.684 1
1 582 . 11 1 1 A 49 49 ASP N N 46 128.600 127.940 0.660 1
1 583 . 11 1 1 A 50 50 PRO HA H 47 4.500 4.570 -0.070 1
1 590 . 11 1 1 A 50 50 PRO C C 47 177.800 177.679 0.121 1
1 591 . 11 1 1 A 50 50 PRO CA C 47 63.700 63.659 0.041 1
1 592 . 11 1 1 A 50 50 PRO CB C 47 32.200 33.153 -0.953 1
1 595 . 11 1 1 A 51 51 PHE H H 48 9.270 8.315 0.955 1
1 596 . 11 1 1 A 51 51 PHE HA H 48 3.980 4.232 -0.252 1
1 601 . 11 1 1 A 51 51 PHE C C 48 177.100 178.164 -1.064 1
1 602 . 11 1 1 A 51 51 PHE CA C 48 61.400 61.742 -0.342 1
1 603 . 11 1 1 A 51 51 PHE CB C 48 37.900 39.846 -1.946 1
1 606 . 11 1 1 A 51 51 PHE N N 48 121.800 119.207 2.593 1
1 607 . 11 1 1 A 52 52 PHE H H 49 7.440 8.156 -0.716 1
1 608 . 11 1 1 A 52 52 PHE HA H 49 4.560 4.627 -0.067 1
1 616 . 11 1 1 A 52 52 PHE C C 49 176.100 175.330 0.770 1
1 617 . 11 1 1 A 52 52 PHE CA C 49 58.300 59.986 -1.686 1
1 618 . 11 1 1 A 52 52 PHE CB C 49 42.000 39.809 2.191 1
1 624 . 11 1 1 A 52 52 PHE N N 49 114.500 119.834 -5.334 1
1 625 . 11 1 1 A 53 53 GLU H H 50 8.590 8.075 0.515 1
1 626 . 11 1 1 A 53 53 GLU HA H 50 3.780 4.314 -0.534 1
1 631 . 11 1 1 A 53 53 GLU C C 50 175.000 174.855 0.145 1
1 632 . 11 1 1 A 53 53 GLU CA C 50 57.300 57.338 -0.038 1
1 633 . 11 1 1 A 53 53 GLU CB C 50 27.100 27.525 -0.425 1
1 635 . 11 1 1 A 53 53 GLU N N 50 120.300 118.406 1.894 1
1 636 . 11 1 1 A 54 54 SER H H 51 7.100 8.284 -1.184 1
1 637 . 11 1 1 A 54 54 SER HA H 51 4.910 5.047 -0.137 1
1 640 . 11 1 1 A 54 54 SER CA C 51 56.500 57.365 -0.865 1
1 641 . 11 1 1 A 54 54 SER CB C 51 66.100 66.059 0.041 1
1 642 . 11 1 1 A 54 54 SER N N 51 110.300 115.205 -4.905 1
1 643 . 11 1 1 A 55 55 SER HA H 52 4.550 4.664 -0.114 1
1 646 . 11 1 1 A 55 55 SER C C 52 173.500 174.238 -0.738 1
1 647 . 11 1 1 A 55 55 SER CA C 52 56.700 57.742 -1.042 1
1 648 . 11 1 1 A 55 55 SER CB C 52 62.100 63.836 -1.736 1
1 649 . 11 1 1 A 56 56 VAL H H 53 7.590 8.309 -0.719 1
1 650 . 11 1 1 A 56 56 VAL HA H 53 4.900 4.420 0.480 1
1 658 . 11 1 1 A 56 56 VAL C C 53 176.800 175.979 0.821 1
1 659 . 11 1 1 A 56 56 VAL CA C 53 61.300 62.142 -0.842 1
1 660 . 11 1 1 A 56 56 VAL CB C 53 36.200 32.166 4.034 1
1 663 . 11 1 1 A 56 56 VAL N N 53 117.400 116.768 0.632 1
1 664 . 11 1 1 A 57 57 LEU H H 54 8.690 8.466 0.224 1
1 665 . 11 1 1 A 57 57 LEU HA H 54 3.930 4.376 -0.446 1
1 675 . 11 1 1 A 57 57 LEU C C 54 179.500 178.523 0.977 1
1 676 . 11 1 1 A 57 57 LEU CA C 54 60.000 55.837 4.163 1
1 677 . 11 1 1 A 57 57 LEU CB C 54 40.800 41.988 -1.188 1
1 681 . 11 1 1 A 57 57 LEU N N 54 121.100 127.074 -5.974 1
1 682 . 11 1 1 A 58 58 SER H H 55 9.750 7.870 1.880 1
1 683 . 11 1 1 A 58 58 SER HA H 55 3.800 4.310 -0.510 1
1 686 . 11 1 1 A 58 58 SER C C 55 174.100 175.085 -0.985 1
1 687 . 11 1 1 A 58 58 SER CA C 55 61.600 61.275 0.325 1
1 688 . 11 1 1 A 58 58 SER CB C 55 61.900 62.867 -0.967 1
1 689 . 11 1 1 A 58 58 SER N N 55 113.400 115.138 -1.738 1
1 690 . 11 1 1 A 59 59 ARG H H 56 7.510 8.106 -0.596 1
1 691 . 11 1 1 A 59 59 ARG HA H 56 4.560 4.440 0.120 1
1 698 . 11 1 1 A 59 59 ARG C C 56 177.500 175.764 1.736 1
1 699 . 11 1 1 A 59 59 ARG CA C 56 55.400 55.929 -0.529 1
1 700 . 11 1 1 A 59 59 ARG CB C 56 30.400 29.884 0.516 1
1 703 . 11 1 1 A 59 59 ARG N N 56 118.400 118.390 0.010 1
1 704 . 11 1 1 A 60 60 GLY H H 57 8.550 7.790 0.760 1
1 705 . 11 1 1 A 60 60 GLY HA2 H 57 4.020 4.325 -0.305 1
1 706 . 11 1 1 A 60 60 GLY HA3 H 57 4.020 4.345 -0.325 1
1 707 . 11 1 1 A 60 60 GLY C C 57 171.200 172.925 -1.725 1
1 708 . 11 1 1 A 60 60 GLY CA C 57 45.400 44.351 1.049 1
1 709 . 11 1 1 A 60 60 GLY N N 57 108.600 109.024 -0.424 1
1 710 . 11 1 1 A 61 61 LEU H H 58 7.740 8.530 -0.790 1
1 711 . 11 1 1 A 61 61 LEU HA H 58 4.640 4.991 -0.351 1
1 721 . 11 1 1 A 61 61 LEU C C 58 177.000 175.401 1.599 1
1 722 . 11 1 1 A 61 61 LEU CA C 58 54.200 53.382 0.818 1
1 723 . 11 1 1 A 61 61 LEU CB C 58 43.700 43.485 0.215 1
1 727 . 11 1 1 A 61 61 LEU N N 58 119.100 117.397 1.703 1
1 728 . 11 1 1 A 62 62 ILE H H 59 8.780 8.744 0.036 1
1 729 . 11 1 1 A 62 62 ILE HA H 59 4.660 4.841 -0.181 1
1 739 . 11 1 1 A 62 62 ILE C C 59 175.500 174.765 0.735 1
1 740 . 11 1 1 A 62 62 ILE CA C 59 60.600 60.202 0.398 1
1 741 . 11 1 1 A 62 62 ILE CB C 59 38.700 40.288 -1.588 1
1 745 . 11 1 1 A 62 62 ILE N N 59 126.500 121.932 4.568 1
1 746 . 11 1 1 A 63 63 ALA H H 60 9.110 9.300 -0.190 1
1 747 . 11 1 1 A 63 63 ALA HA H 60 4.590 5.279 -0.689 1
1 751 . 11 1 1 A 63 63 ALA C C 60 175.000 175.022 -0.022 1
1 752 . 11 1 1 A 63 63 ALA CA C 60 51.300 50.376 0.924 1
1 753 . 11 1 1 A 63 63 ALA CB C 60 23.100 24.381 -1.281 1
1 754 . 11 1 1 A 63 63 ALA N N 60 129.300 128.157 1.143 1
1 755 . 11 1 1 A 64 64 GLU H H 61 8.460 8.796 -0.336 1
1 756 . 11 1 1 A 64 64 GLU HA H 61 5.070 5.299 -0.229 1
1 761 . 11 1 1 A 64 64 GLU C C 61 176.000 176.492 -0.492 1
1 762 . 11 1 1 A 64 64 GLU CA C 61 55.100 54.803 0.297 1
1 763 . 11 1 1 A 64 64 GLU CB C 61 31.200 32.934 -1.734 1
1 765 . 11 1 1 A 64 64 GLU N N 61 121.500 120.709 0.791 1
1 766 . 11 1 1 A 65 65 HIS H H 62 9.310 8.815 0.495 1
1 767 . 11 1 1 A 65 65 HIS HA H 62 4.740 4.610 0.130 1
1 772 . 11 1 1 A 65 65 HIS CA C 62 56.400 58.059 -1.659 1
1 773 . 11 1 1 A 65 65 HIS CB C 62 32.600 31.911 0.689 1
1 776 . 11 1 1 A 65 65 HIS N N 62 123.500 125.520 -2.020 1
1 777 . 11 1 1 A 66 66 GLN HA H 63 3.870 4.421 -0.551 1
1 784 . 11 1 1 A 66 66 GLN C C 63 176.000 175.630 0.370 1
1 785 . 11 1 1 A 66 66 GLN CA C 63 56.600 54.662 1.938 1
1 786 . 11 1 1 A 66 66 GLN CB C 63 26.800 29.277 -2.477 1
1 790 . 11 1 1 A 67 67 GLY H H 64 8.970 8.404 0.566 1
1 791 . 11 1 1 A 67 67 GLY HA2 H 64 3.680 3.980 -0.300 1
1 792 . 11 1 1 A 67 67 GLY HA3 H 64 4.140 4.026 0.114 1
1 793 . 11 1 1 A 67 67 GLY C C 64 173.800 173.829 -0.029 1
1 794 . 11 1 1 A 67 67 GLY CA C 64 45.600 45.182 0.418 1
1 795 . 11 1 1 A 67 67 GLY N N 64 104.200 114.420 -10.220 1
1 796 . 11 1 1 A 68 68 GLU H H 65 7.850 8.078 -0.228 1
1 797 . 11 1 1 A 68 68 GLU HA H 65 4.810 4.421 0.389 1
1 802 . 11 1 1 A 68 68 GLU C C 65 174.400 175.781 -1.381 1
1 803 . 11 1 1 A 68 68 GLU CA C 65 54.100 55.648 -1.548 1
1 804 . 11 1 1 A 68 68 GLU CB C 65 34.000 30.773 3.227 1
1 806 . 11 1 1 A 68 68 GLU N N 65 118.800 121.760 -2.960 1
1 807 . 11 1 1 A 69 69 LEU H H 66 8.030 8.570 -0.540 1
1 808 . 11 1 1 A 69 69 LEU HA H 66 4.920 5.049 -0.129 1
1 818 . 11 1 1 A 69 69 LEU C C 66 177.100 175.823 1.277 1
1 819 . 11 1 1 A 69 69 LEU CA C 66 54.300 53.459 0.841 1
1 820 . 11 1 1 A 69 69 LEU CB C 66 44.500 43.182 1.318 1
1 824 . 11 1 1 A 69 69 LEU N N 66 119.000 125.775 -6.775 1
1 825 . 11 1 1 A 70 70 TRP H H 67 8.980 9.557 -0.577 1
1 826 . 11 1 1 A 70 70 TRP HA H 67 5.140 5.237 -0.097 1
1 835 . 11 1 1 A 70 70 TRP C C 67 174.400 174.644 -0.244 1
1 836 . 11 1 1 A 70 70 TRP CA C 67 55.100 55.845 -0.745 1
1 837 . 11 1 1 A 70 70 TRP CB C 67 31.800 33.420 -1.620 1
1 843 . 11 1 1 A 70 70 TRP N N 67 122.200 124.073 -1.873 1
1 845 . 11 1 1 A 71 71 VAL H H 68 9.490 9.558 -0.068 1
1 846 . 11 1 1 A 71 71 VAL HA H 68 4.990 5.050 -0.060 1
1 854 . 11 1 1 A 71 71 VAL C C 68 173.000 174.046 -1.046 1
1 855 . 11 1 1 A 71 71 VAL CA C 68 58.500 59.661 -1.161 1
1 856 . 11 1 1 A 71 71 VAL CB C 68 34.300 33.908 0.392 1
1 859 . 11 1 1 A 71 71 VAL N N 68 120.900 123.151 -2.251 1
1 860 . 11 1 1 A 72 72 ALA H H 69 8.550 9.362 -0.812 1
1 861 . 11 1 1 A 72 72 ALA HA H 69 5.280 5.173 0.107 1
1 865 . 11 1 1 A 72 72 ALA C C 69 178.000 175.941 2.059 1
1 866 . 11 1 1 A 72 72 ALA CA C 69 49.200 50.283 -1.083 1
1 867 . 11 1 1 A 72 72 ALA CB C 69 19.700 20.520 -0.820 1
1 868 . 11 1 1 A 72 72 ALA N N 69 130.000 131.859 -1.859 1
1 869 . 11 1 1 A 73 73 SER H H 70 9.470 9.399 0.071 1
1 870 . 11 1 1 A 73 73 SER HA H 70 4.540 4.925 -0.385 1
1 873 . 11 1 1 A 73 73 SER CA C 70 55.700 56.303 -0.603 1
1 874 . 11 1 1 A 73 73 SER CB C 70 64.400 63.737 0.663 1
1 875 . 11 1 1 A 73 73 SER N N 70 118.100 121.697 -3.597 1
1 876 . 11 1 1 A 74 74 PRO HA H 71 4.540 4.519 0.021 1
1 883 . 11 1 1 A 74 74 PRO C C 71 176.700 177.046 -0.346 1
1 884 . 11 1 1 A 74 74 PRO CA C 71 64.000 63.758 0.242 1
1 885 . 11 1 1 A 74 74 PRO CB C 71 32.300 32.062 0.238 1
1 888 . 11 1 1 A 75 75 LEU H H 72 7.850 8.281 -0.431 1
1 889 . 11 1 1 A 75 75 LEU HA H 72 4.330 4.226 0.104 1
1 899 . 11 1 1 A 75 75 LEU CA C 72 56.200 56.437 -0.237 1
1 900 . 11 1 1 A 75 75 LEU CB C 72 38.500 42.543 -4.043 1
1 904 . 11 1 1 A 75 75 LEU N N 72 119.300 119.639 -0.339 1
1 905 . 11 1 1 A 76 76 LYS HA H 73 4.470 4.704 -0.234 1
1 914 . 11 1 1 A 76 76 LYS C C 73 176.600 175.538 1.062 1
1 915 . 11 1 1 A 76 76 LYS CA C 73 54.600 57.740 -3.140 1
1 916 . 11 1 1 A 76 76 LYS CB C 73 31.700 34.078 -2.378 1
1 920 . 11 1 1 A 77 77 LYS H H 74 7.240 7.808 -0.568 1
1 921 . 11 1 1 A 77 77 LYS HA H 74 4.440 4.527 -0.087 1
1 930 . 11 1 1 A 77 77 LYS C C 74 175.500 174.967 0.533 1
1 931 . 11 1 1 A 77 77 LYS CA C 74 57.800 55.651 2.149 1
1 932 . 11 1 1 A 77 77 LYS CB C 74 28.600 33.813 -5.213 1
1 936 . 11 1 1 A 77 77 LYS N N 74 110.900 118.807 -7.907 1
1 937 . 11 1 1 A 78 78 GLN H H 75 8.080 7.533 0.547 1
1 938 . 11 1 1 A 78 78 GLN HA H 75 4.030 4.334 -0.304 1
1 945 . 11 1 1 A 78 78 GLN C C 75 174.500 175.000 -0.500 1
1 946 . 11 1 1 A 78 78 GLN CA C 75 58.400 55.353 3.047 1
1 947 . 11 1 1 A 78 78 GLN CB C 75 27.400 29.269 -1.869 1
1 949 . 11 1 1 A 78 78 GLN N N 75 119.100 118.734 0.366 1
1 951 . 11 1 1 A 79 79 ARG H H 76 9.800 8.496 1.304 1
1 952 . 11 1 1 A 79 79 ARG HA H 76 5.310 5.448 -0.138 1
1 960 . 11 1 1 A 79 79 ARG C C 76 175.800 174.688 1.112 1
1 961 . 11 1 1 A 79 79 ARG CA C 76 55.300 54.682 0.618 1
1 962 . 11 1 1 A 79 79 ARG CB C 76 33.100 33.559 -0.459 1
1 965 . 11 1 1 A 79 79 ARG N N 76 122.800 122.999 -0.199 1
1 967 . 11 1 1 A 80 80 PHE H H 77 9.220 9.731 -0.511 1
1 968 . 11 1 1 A 80 80 PHE HA H 77 5.630 5.081 0.549 1
1 976 . 11 1 1 A 80 80 PHE C C 77 175.300 174.626 0.674 1
1 977 . 11 1 1 A 80 80 PHE CA C 77 55.800 56.368 -0.568 1
1 978 . 11 1 1 A 80 80 PHE CB C 77 41.300 42.378 -1.078 1
1 984 . 11 1 1 A 80 80 PHE N N 77 119.400 122.178 -2.778 1
1 985 . 11 1 1 A 81 81 ARG H H 78 9.870 9.618 0.252 1
1 986 . 11 1 1 A 81 81 ARG HA H 78 3.490 4.070 -0.580 1
1 996 . 11 1 1 A 81 81 ARG C C 78 177.400 176.312 1.088 1
1 997 . 11 1 1 A 81 81 ARG CA C 78 58.100 55.013 3.087 1
1 998 . 11 1 1 A 81 81 ARG CB C 78 30.500 29.217 1.283 1
1 1001 . 11 1 1 A 81 81 ARG N N 78 130.100 124.150 5.950 1
1 1004 . 11 1 1 A 82 82 LEU H H 79 7.860 8.102 -0.242 1
1 1005 . 11 1 1 A 82 82 LEU HA H 79 3.790 4.061 -0.271 1
1 1015 . 11 1 1 A 82 82 LEU C C 79 177.500 178.206 -0.706 1
1 1016 . 11 1 1 A 82 82 LEU CA C 79 57.600 57.199 0.401 1
1 1017 . 11 1 1 A 82 82 LEU CB C 79 39.600 41.729 -2.129 1
1 1021 . 11 1 1 A 82 82 LEU N N 79 125.300 125.041 0.259 1
1 1022 . 11 1 1 A 83 83 SER H H 80 8.000 7.751 0.249 1
1 1023 . 11 1 1 A 83 83 SER HA H 80 4.200 3.380 0.820 1
1 1026 . 11 1 1 A 83 83 SER C C 80 176.600 175.052 1.548 1
1 1027 . 11 1 1 A 83 83 SER CA C 80 60.100 61.110 -1.010 1
1 1028 . 11 1 1 A 83 83 SER CB C 80 62.500 61.740 0.760 1
1 1029 . 11 1 1 A 83 83 SER N N 80 109.700 115.175 -5.475 1
1 1030 . 11 1 1 A 84 84 ASP H H 81 7.100 7.938 -0.838 1
1 1031 . 11 1 1 A 84 84 ASP HA H 81 4.090 4.293 -0.203 1
1 1034 . 11 1 1 A 84 84 ASP C C 81 175.900 176.164 -0.264 1
1 1035 . 11 1 1 A 84 84 ASP CA C 81 53.500 53.180 0.320 1
1 1036 . 11 1 1 A 84 84 ASP CB C 81 41.900 40.881 1.019 1
1 1037 . 11 1 1 A 84 84 ASP N N 81 117.300 119.164 -1.864 1
1 1038 . 11 1 1 A 85 85 GLY H H 82 8.860 8.152 0.708 1
1 1039 . 11 1 1 A 85 85 GLY HA2 H 82 3.590 4.063 -0.473 1
1 1040 . 11 1 1 A 85 85 GLY HA3 H 82 4.810 4.086 0.724 1
1 1041 . 11 1 1 A 85 85 GLY C C 82 173.700 174.484 -0.784 1
1 1042 . 11 1 1 A 85 85 GLY CA C 82 45.900 46.535 -0.635 1
1 1043 . 11 1 1 A 85 85 GLY N N 82 111.300 108.637 2.663 1
1 1044 . 11 1 1 A 86 86 LEU H H 83 7.430 7.638 -0.208 1
1 1045 . 11 1 1 A 86 86 LEU HA H 83 4.290 4.706 -0.416 1
1 1055 . 11 1 1 A 86 86 LEU C C 83 176.600 175.456 1.144 1
1 1056 . 11 1 1 A 86 86 LEU CA C 83 56.200 54.003 2.197 1
1 1057 . 11 1 1 A 86 86 LEU CB C 83 43.100 44.245 -1.145 1
1 1061 . 11 1 1 A 86 86 LEU N N 83 120.800 121.918 -1.118 1
1 1062 . 11 1 1 A 87 87 CYS H H 84 8.080 8.797 -0.717 1
1 1063 . 11 1 1 A 87 87 CYS HA H 84 5.290 4.746 0.544 1
1 1066 . 11 1 1 A 87 87 CYS C C 84 175.300 174.781 0.519 1
1 1067 . 11 1 1 A 87 87 CYS CA C 84 56.600 57.552 -0.952 1
1 1068 . 11 1 1 A 87 87 CYS CB C 84 27.800 29.252 -1.452 1
1 1069 . 11 1 1 A 87 87 CYS N N 84 126.300 124.910 1.390 1
1 1070 . 11 1 1 A 88 88 MET H H 85 8.760 8.621 0.139 1
1 1071 . 11 1 1 A 88 88 MET HA H 85 3.630 4.139 -0.509 1
1 1079 . 11 1 1 A 88 88 MET C C 85 177.500 178.183 -0.683 1
1 1080 . 11 1 1 A 88 88 MET CA C 85 58.800 58.306 0.494 1
1 1081 . 11 1 1 A 88 88 MET CB C 85 33.800 32.674 1.126 1
1 1084 . 11 1 1 A 88 88 MET N N 85 130.500 124.299 6.201 1
1 1085 . 11 1 1 A 89 89 GLU H H 86 9.160 7.673 1.487 1
1 1086 . 11 1 1 A 89 89 GLU HA H 86 3.770 4.016 -0.246 1
1 1091 . 11 1 1 A 89 89 GLU C C 86 177.500 178.228 -0.728 1
1 1092 . 11 1 1 A 89 89 GLU CA C 86 60.900 58.816 2.084 1
1 1093 . 11 1 1 A 89 89 GLU CB C 86 29.300 29.547 -0.247 1
1 1095 . 11 1 1 A 89 89 GLU N N 86 119.200 119.663 -0.463 1
1 1096 . 11 1 1 A 90 90 ASP H H 87 7.080 7.967 -0.887 1
1 1097 . 11 1 1 A 90 90 ASP HA H 87 4.590 4.537 0.053 1
1 1100 . 11 1 1 A 90 90 ASP CA C 87 54.700 54.635 0.065 1
1 1101 . 11 1 1 A 90 90 ASP CB C 87 41.800 40.881 0.919 1
1 1102 . 11 1 1 A 90 90 ASP N N 87 115.800 119.210 -3.410 1
1 1103 . 11 1 1 A 91 91 GLU H H 88 9.340 7.816 1.524 1
1 1104 . 11 1 1 A 91 91 GLU HA H 88 4.290 4.197 0.093 1
1 1109 . 11 1 1 A 91 91 GLU C C 88 178.900 178.650 0.250 1
1 1110 . 11 1 1 A 91 91 GLU CA C 88 59.000 60.200 -1.200 1
1 1111 . 11 1 1 A 91 91 GLU CB C 88 29.100 29.490 -0.390 1
1 1113 . 11 1 1 A 91 91 GLU N N 88 127.400 121.318 6.082 1
1 1114 . 11 1 1 A 92 92 GLN H H 89 8.920 8.161 0.759 1
1 1115 . 11 1 1 A 92 92 GLN HA H 89 4.170 3.853 0.317 1
1 1122 . 11 1 1 A 92 92 GLN C C 89 176.600 176.551 0.049 1
1 1123 . 11 1 1 A 92 92 GLN CA C 89 57.800 58.358 -0.558 1
1 1124 . 11 1 1 A 92 92 GLN CB C 89 28.400 28.670 -0.270 1
1 1127 . 11 1 1 A 92 92 GLN N N 89 120.400 117.394 3.006 1
1 1129 . 11 1 1 A 93 93 PHE H H 90 8.150 8.013 0.137 1
1 1130 . 11 1 1 A 93 93 PHE HA H 90 4.430 4.559 -0.129 1
1 1138 . 11 1 1 A 93 93 PHE C C 90 172.600 176.340 -3.740 1
1 1139 . 11 1 1 A 93 93 PHE CA C 90 57.800 58.902 -1.102 1
1 1140 . 11 1 1 A 93 93 PHE CB C 90 39.300 40.301 -1.001 1
1 1146 . 11 1 1 A 93 93 PHE N N 90 119.700 114.730 4.970 1
1 1147 . 11 1 1 A 94 94 SER H H 91 7.020 8.040 -1.020 1
1 1148 . 11 1 1 A 94 94 SER HA H 91 4.870 4.674 0.196 1
1 1152 . 11 1 1 A 94 94 SER C C 91 174.100 174.050 0.050 1
1 1153 . 11 1 1 A 94 94 SER CA C 91 60.900 60.842 0.058 1
1 1154 . 11 1 1 A 94 94 SER CB C 91 63.600 62.089 1.511 1
1 1155 . 11 1 1 A 94 94 SER N N 91 112.700 112.588 0.112 1
1 1156 . 11 1 1 A 95 95 VAL H H 92 9.120 8.294 0.826 1
1 1157 . 11 1 1 A 95 95 VAL HA H 92 4.810 4.622 0.188 1
1 1165 . 11 1 1 A 95 95 VAL C C 92 175.700 175.389 0.311 1
1 1166 . 11 1 1 A 95 95 VAL CA C 92 59.200 60.120 -0.920 1
1 1167 . 11 1 1 A 95 95 VAL CB C 92 35.700 33.811 1.889 1
1 1170 . 11 1 1 A 95 95 VAL N N 92 116.900 119.083 -2.183 1
1 1171 . 11 1 1 A 96 96 LYS H H 93 8.390 8.425 -0.035 1
1 1172 . 11 1 1 A 96 96 LYS HA H 93 4.010 4.415 -0.405 1
1 1181 . 11 1 1 A 96 96 LYS C C 93 174.800 176.181 -1.381 1
1 1182 . 11 1 1 A 96 96 LYS CA C 93 57.700 56.134 1.566 1
1 1183 . 11 1 1 A 96 96 LYS CB C 93 34.000 32.877 1.123 1
1 1187 . 11 1 1 A 96 96 LYS N N 93 120.300 122.682 -2.382 1
1 1188 . 11 1 1 A 97 97 HIS H H 94 8.030 8.734 -0.704 1
1 1189 . 11 1 1 A 97 97 HIS HA H 94 5.060 4.970 0.090 1
1 1194 . 11 1 1 A 97 97 HIS C C 94 172.600 173.184 -0.584 1
1 1195 . 11 1 1 A 97 97 HIS CA C 94 54.700 55.331 -0.631 1
1 1196 . 11 1 1 A 97 97 HIS CB C 94 31.400 31.515 -0.115 1
1 1199 . 11 1 1 A 97 97 HIS N N 94 121.000 127.335 -6.335 1
1 1200 . 11 1 1 A 98 98 TYR H H 95 7.610 8.975 -1.365 1
1 1201 . 11 1 1 A 98 98 TYR HA H 95 4.410 4.696 -0.286 1
1 1208 . 11 1 1 A 98 98 TYR C C 95 173.600 175.321 -1.721 1
1 1209 . 11 1 1 A 98 98 TYR CA C 95 56.400 56.594 -0.194 1
1 1210 . 11 1 1 A 98 98 TYR CB C 95 40.900 40.663 0.237 1
1 1215 . 11 1 1 A 98 98 TYR N N 95 121.800 126.043 -4.243 1
1 1216 . 11 1 1 A 99 99 GLU H H 96 8.480 8.607 -0.127 1
1 1217 . 11 1 1 A 99 99 GLU HA H 96 4.420 4.616 -0.196 1
1 1222 . 11 1 1 A 99 99 GLU C C 96 174.300 175.716 -1.416 1
1 1223 . 11 1 1 A 99 99 GLU CA C 96 56.600 56.116 0.484 1
1 1224 . 11 1 1 A 99 99 GLU CB C 96 30.700 30.474 0.226 1
1 1226 . 11 1 1 A 99 99 GLU N N 96 122.200 122.721 -0.521 1
1 1227 . 11 1 1 A 100 100 ALA H H 97 8.420 9.070 -0.650 1
1 1228 . 11 1 1 A 100 100 ALA HA H 97 5.940 5.971 -0.031 1
1 1232 . 11 1 1 A 100 100 ALA C C 97 176.100 175.825 0.275 1
1 1233 . 11 1 1 A 100 100 ALA CA C 97 50.400 50.155 0.245 1
1 1234 . 11 1 1 A 100 100 ALA CB C 97 23.700 22.851 0.849 1
1 1235 . 11 1 1 A 100 100 ALA N N 97 124.100 127.990 -3.890 1
1 1236 . 11 1 1 A 101 101 ARG H H 98 9.000 9.033 -0.033 1
1 1237 . 11 1 1 A 101 101 ARG HA H 98 4.640 5.040 -0.400 1
1 1245 . 11 1 1 A 101 101 ARG C C 98 172.100 173.958 -1.858 1
1 1246 . 11 1 1 A 101 101 ARG CA C 98 54.200 54.456 -0.256 1
1 1247 . 11 1 1 A 101 101 ARG CB C 98 32.800 33.900 -1.100 1
1 1250 . 11 1 1 A 101 101 ARG N N 98 118.400 116.962 1.438 1
1 1252 . 11 1 1 A 102 102 VAL H H 99 8.330 8.818 -0.488 1
1 1253 . 11 1 1 A 102 102 VAL HA H 99 4.720 4.577 0.143 1
1 1261 . 11 1 1 A 102 102 VAL C C 99 175.200 174.278 0.922 1
1 1262 . 11 1 1 A 102 102 VAL CA C 99 61.100 61.649 -0.549 1
1 1263 . 11 1 1 A 102 102 VAL CB C 99 32.700 32.020 0.680 1
1 1266 . 11 1 1 A 102 102 VAL N N 99 119.500 122.505 -3.005 1
1 1267 . 11 1 1 A 103 103 LYS H H 100 9.070 9.080 -0.010 1
1 1268 . 11 1 1 A 103 103 LYS HA H 100 4.460 4.418 0.042 1
1 1277 . 11 1 1 A 103 103 LYS C C 100 175.700 175.845 -0.145 1
1 1278 . 11 1 1 A 103 103 LYS CA C 100 54.300 54.980 -0.680 1
1 1279 . 11 1 1 A 103 103 LYS CB C 100 34.800 32.968 1.832 1
1 1283 . 11 1 1 A 103 103 LYS N N 100 130.200 128.123 2.077 1
1 1284 . 11 1 1 A 104 104 ASP H H 101 9.560 9.090 0.470 1
1 1285 . 11 1 1 A 104 104 ASP HA H 101 4.210 4.226 -0.016 1
1 1288 . 11 1 1 A 104 104 ASP C C 101 175.800 175.260 0.540 1
1 1289 . 11 1 1 A 104 104 ASP CA C 101 55.500 55.004 0.496 1
1 1290 . 11 1 1 A 104 104 ASP CB C 101 39.700 39.764 -0.064 1
1 1291 . 11 1 1 A 104 104 ASP N N 101 130.600 126.964 3.636 1
1 1292 . 11 1 1 A 105 105 GLY H H 102 8.260 8.328 -0.068 1
1 1293 . 11 1 1 A 105 105 GLY HA2 H 102 3.450 3.876 -0.426 1
1 1294 . 11 1 1 A 105 105 GLY HA3 H 102 4.170 3.879 0.291 1
1 1295 . 11 1 1 A 105 105 GLY C C 102 173.300 173.688 -0.388 1
1 1296 . 11 1 1 A 105 105 GLY CA C 102 45.300 44.957 0.343 1
1 1297 . 11 1 1 A 105 105 GLY N N 102 101.900 104.766 -2.866 1
1 1298 . 11 1 1 A 106 106 VAL H H 103 7.900 7.746 0.154 1
1 1299 . 11 1 1 A 106 106 VAL HA H 103 4.270 4.480 -0.210 1
1 1307 . 11 1 1 A 106 106 VAL C C 103 175.100 174.821 0.279 1
1 1308 . 11 1 1 A 106 106 VAL CA C 103 62.100 60.545 1.555 1
1 1309 . 11 1 1 A 106 106 VAL CB C 103 34.100 34.422 -0.322 1
1 1312 . 11 1 1 A 106 106 VAL N N 103 123.800 122.025 1.775 1
1 1313 . 11 1 1 A 107 107 VAL H H 104 9.290 9.272 0.018 1
1 1314 . 11 1 1 A 107 107 VAL HA H 104 4.220 4.167 0.053 1
1 1322 . 11 1 1 A 107 107 VAL C C 104 174.300 175.347 -1.047 1
1 1323 . 11 1 1 A 107 107 VAL CA C 104 62.700 62.350 0.350 1
1 1324 . 11 1 1 A 107 107 VAL CB C 104 31.500 31.773 -0.273 1
1 1327 . 11 1 1 A 107 107 VAL N N 104 127.300 127.974 -0.674 1
1 1328 . 11 1 1 A 108 108 GLN H H 105 9.410 9.267 0.143 1
1 1329 . 11 1 1 A 108 108 GLN HA H 105 5.720 5.168 0.552 1
1 1336 . 11 1 1 A 108 108 GLN C C 105 174.900 174.988 -0.088 1
1 1337 . 11 1 1 A 108 108 GLN CA C 105 53.400 54.683 -1.283 1
1 1338 . 11 1 1 A 108 108 GLN CB C 105 34.600 31.175 3.425 1
1 1341 . 11 1 1 A 108 108 GLN N N 105 126.500 127.382 -0.882 1
1 1343 . 11 1 1 A 109 109 LEU H H 106 8.530 9.155 -0.625 1
1 1344 . 11 1 1 A 109 109 LEU HA H 106 5.760 5.049 0.711 1
1 1354 . 11 1 1 A 109 109 LEU C C 106 176.300 175.218 1.082 1
1 1355 . 11 1 1 A 109 109 LEU CA C 106 52.800 53.520 -0.720 1
1 1356 . 11 1 1 A 109 109 LEU CB C 106 48.900 44.115 4.785 1
1 1360 . 11 1 1 A 109 109 LEU N N 106 118.900 124.621 -5.721 1
1 1361 . 11 1 1 A 110 110 ARG H H 107 8.310 9.071 -0.761 1
1 1362 . 11 1 1 A 110 110 ARG HA H 107 4.230 4.820 -0.590 1
1 1370 . 11 1 1 A 110 110 ARG C C 107 174.800 175.271 -0.471 1
1 1371 . 11 1 1 A 110 110 ARG CA C 107 55.700 54.104 1.596 1
1 1372 . 11 1 1 A 110 110 ARG CB C 107 31.900 30.811 1.089 1
1 1375 . 11 1 1 A 110 110 ARG N N 107 119.900 124.830 -4.930 1
1 1377 . 11 1 1 A 111 111 GLY H H 108 8.390 8.517 -0.127 1
1 1378 . 11 1 1 A 111 111 GLY HA2 H 108 3.880 4.019 -0.139 1
1 1379 . 11 1 1 A 111 111 GLY HA3 H 108 4.130 4.272 -0.142 1
1 1380 . 11 1 1 A 111 111 GLY C C 108 173.500 172.962 0.538 1
1 1381 . 11 1 1 A 111 111 GLY CA C 108 45.000 45.026 -0.026 1
1 1382 . 11 1 1 A 111 111 GLY N N 108 110.000 113.043 -3.043 1
1 1383 . 11 1 1 A 112 112 GLY H H 109 8.280 8.024 0.256 1
1 1384 . 11 1 1 A 112 112 GLY HA2 H 109 3.850 4.293 -0.443 1
1 1385 . 11 1 1 A 112 112 GLY HA3 H 109 3.950 4.320 -0.370 1
1 1386 . 11 1 1 A 112 112 GLY C C 109 173.200 172.297 0.903 1
1 1387 . 11 1 1 A 112 112 GLY CA C 109 45.100 44.216 0.884 1
1 1388 . 11 1 1 A 112 112 GLY N N 109 108.400 112.593 -4.193 1
1 10 . 12 1 1 A 5 5 SER H H 2 8.360 9.089 -0.729 1
1 11 . 12 1 1 A 5 5 SER HA H 2 4.400 4.349 0.051 1
1 14 . 12 1 1 A 5 5 SER C C 2 174.100 174.790 -0.690 1
1 15 . 12 1 1 A 5 5 SER CA C 2 58.200 58.525 -0.325 1
1 16 . 12 1 1 A 5 5 SER CB C 2 63.700 62.902 0.798 1
1 17 . 12 1 1 A 5 5 SER N N 2 117.000 116.456 0.544 1
1 18 . 12 1 1 A 6 6 GLN H H 3 8.280 7.657 0.623 1
1 19 . 12 1 1 A 6 6 GLN HA H 3 4.320 4.441 -0.121 1
1 26 . 12 1 1 A 6 6 GLN C C 3 175.500 174.380 1.120 1
1 27 . 12 1 1 A 6 6 GLN CA C 3 55.400 54.904 0.496 1
1 28 . 12 1 1 A 6 6 GLN CB C 3 30.100 27.332 2.768 1
1 31 . 12 1 1 A 6 6 GLN N N 3 121.800 121.968 -0.168 1
1 33 . 12 1 1 A 7 7 TRP H H 4 8.170 8.479 -0.309 1
1 34 . 12 1 1 A 7 7 TRP HA H 4 4.470 4.962 -0.492 1
1 43 . 12 1 1 A 7 7 TRP C C 4 176.200 175.719 0.481 1
1 44 . 12 1 1 A 7 7 TRP CA C 4 57.600 57.786 -0.186 1
1 45 . 12 1 1 A 7 7 TRP CB C 4 30.300 29.429 0.871 1
1 51 . 12 1 1 A 7 7 TRP N N 4 122.300 127.087 -4.787 1
1 53 . 12 1 1 A 8 8 LYS H H 5 9.370 8.767 0.603 1
1 54 . 12 1 1 A 8 8 LYS HA H 5 4.690 4.466 0.224 1
1 63 . 12 1 1 A 8 8 LYS C C 5 175.600 176.047 -0.447 1
1 64 . 12 1 1 A 8 8 LYS CA C 5 54.200 56.986 -2.786 1
1 65 . 12 1 1 A 8 8 LYS CB C 5 34.700 32.804 1.896 1
1 69 . 12 1 1 A 8 8 LYS N N 5 125.100 125.488 -0.388 1
1 70 . 12 1 1 A 9 9 ASP H H 6 8.730 8.920 -0.190 1
1 71 . 12 1 1 A 9 9 ASP HA H 6 4.500 4.966 -0.466 1
1 74 . 12 1 1 A 9 9 ASP C C 6 176.200 175.637 0.563 1
1 75 . 12 1 1 A 9 9 ASP CA C 6 55.400 54.407 0.993 1
1 76 . 12 1 1 A 9 9 ASP CB C 6 40.700 40.692 0.008 1
1 77 . 12 1 1 A 9 9 ASP N N 6 125.400 124.532 0.868 1
1 78 . 12 1 1 A 10 10 ILE H H 7 9.300 8.983 0.317 1
1 79 . 12 1 1 A 10 10 ILE HA H 7 4.300 4.037 0.263 1
1 89 . 12 1 1 A 10 10 ILE C C 7 175.500 175.845 -0.345 1
1 90 . 12 1 1 A 10 10 ILE CA C 7 60.000 63.325 -3.325 1
1 91 . 12 1 1 A 10 10 ILE CB C 7 37.700 38.063 -0.363 1
1 95 . 12 1 1 A 10 10 ILE N N 7 122.900 126.061 -3.161 1
1 96 . 12 1 1 A 11 11 CYS H H 8 7.510 7.644 -0.134 1
1 97 . 12 1 1 A 11 11 CYS HA H 8 4.880 4.661 0.219 1
1 100 . 12 1 1 A 11 11 CYS C C 8 172.300 173.477 -1.177 1
1 101 . 12 1 1 A 11 11 CYS CA C 8 55.700 58.095 -2.395 1
1 102 . 12 1 1 A 11 11 CYS CB C 8 28.800 31.345 -2.545 1
1 103 . 12 1 1 A 11 11 CYS N N 8 111.400 115.480 -4.080 1
1 104 . 12 1 1 A 12 12 LYS H H 9 8.920 8.568 0.352 1
1 105 . 12 1 1 A 12 12 LYS HA H 9 4.880 4.655 0.225 1
1 114 . 12 1 1 A 12 12 LYS C C 9 179.400 177.844 1.556 1
1 115 . 12 1 1 A 12 12 LYS CA C 9 55.700 56.855 -1.155 1
1 116 . 12 1 1 A 12 12 LYS CB C 9 32.100 32.738 -0.638 1
1 120 . 12 1 1 A 12 12 LYS N N 9 120.100 122.295 -2.195 1
1 121 . 12 1 1 A 13 13 ILE H H 10 8.640 9.212 -0.572 1
1 122 . 12 1 1 A 13 13 ILE HA H 10 3.990 4.028 -0.038 1
1 132 . 12 1 1 A 13 13 ILE C C 10 174.900 176.766 -1.866 1
1 133 . 12 1 1 A 13 13 ILE CA C 10 61.000 63.314 -2.314 1
1 134 . 12 1 1 A 13 13 ILE CB C 10 37.800 38.199 -0.399 1
1 138 . 12 1 1 A 13 13 ILE N N 10 123.700 125.428 -1.728 1
1 139 . 12 1 1 A 14 14 ASP H H 11 7.600 8.265 -0.665 1
1 140 . 12 1 1 A 14 14 ASP HA H 11 4.350 4.383 -0.033 1
1 143 . 12 1 1 A 14 14 ASP C C 11 176.500 178.096 -1.596 1
1 144 . 12 1 1 A 14 14 ASP CA C 11 55.400 57.080 -1.680 1
1 145 . 12 1 1 A 14 14 ASP CB C 11 40.400 41.142 -0.742 1
1 146 . 12 1 1 A 14 14 ASP N N 11 115.800 121.741 -5.941 1
1 147 . 12 1 1 A 15 15 ASP H H 12 7.600 7.806 -0.206 1
1 148 . 12 1 1 A 15 15 ASP HA H 12 4.490 4.410 0.080 1
1 151 . 12 1 1 A 15 15 ASP C C 12 175.600 175.968 -0.368 1
1 152 . 12 1 1 A 15 15 ASP CA C 12 55.500 56.656 -1.156 1
1 153 . 12 1 1 A 15 15 ASP CB C 12 40.900 41.318 -0.418 1
1 154 . 12 1 1 A 15 15 ASP N N 12 116.800 117.966 -1.166 1
1 155 . 12 1 1 A 16 16 ILE H H 13 7.700 7.798 -0.098 1
1 156 . 12 1 1 A 16 16 ILE HA H 13 4.000 4.224 -0.224 1
1 166 . 12 1 1 A 16 16 ILE C C 13 174.100 174.864 -0.764 1
1 167 . 12 1 1 A 16 16 ILE CA C 13 60.500 60.731 -0.231 1
1 168 . 12 1 1 A 16 16 ILE CB C 13 38.200 37.783 0.417 1
1 172 . 12 1 1 A 16 16 ILE N N 13 120.900 119.908 0.992 1
1 173 . 12 1 1 A 17 17 LEU H H 14 7.970 8.795 -0.825 1
1 174 . 12 1 1 A 17 17 LEU HA H 14 4.370 4.589 -0.219 1
1 184 . 12 1 1 A 17 17 LEU CA C 14 53.800 53.232 0.568 1
1 185 . 12 1 1 A 17 17 LEU CB C 14 40.500 40.840 -0.340 1
1 189 . 12 1 1 A 17 17 LEU N N 14 127.800 129.940 -2.140 1
1 190 . 12 1 1 A 18 18 PRO HA H 15 4.080 4.258 -0.178 1
1 197 . 12 1 1 A 18 18 PRO C C 15 175.700 176.697 -0.997 1
1 198 . 12 1 1 A 18 18 PRO CA C 15 64.300 63.552 0.748 1
1 199 . 12 1 1 A 18 18 PRO CB C 15 31.600 31.790 -0.190 1
1 202 . 12 1 1 A 19 19 GLU H H 16 8.930 8.744 0.186 1
1 203 . 12 1 1 A 19 19 GLU HA H 16 3.660 3.881 -0.221 1
1 208 . 12 1 1 A 19 19 GLU C C 16 175.500 174.948 0.552 1
1 209 . 12 1 1 A 19 19 GLU CA C 16 58.300 57.600 0.700 1
1 210 . 12 1 1 A 19 19 GLU CB C 16 27.300 28.398 -1.098 1
1 212 . 12 1 1 A 19 19 GLU N N 16 113.700 116.126 -2.426 1
1 213 . 12 1 1 A 20 20 THR H H 17 7.790 7.335 0.455 1
1 214 . 12 1 1 A 20 20 THR HA H 17 5.080 4.832 0.248 1
1 220 . 12 1 1 A 20 20 THR C C 17 172.100 173.309 -1.209 1
1 221 . 12 1 1 A 20 20 THR CA C 17 60.700 59.984 0.716 1
1 222 . 12 1 1 A 20 20 THR CB C 17 73.100 71.596 1.504 1
1 224 . 12 1 1 A 20 20 THR N N 17 110.000 113.700 -3.700 1
1 225 . 12 1 1 A 21 21 GLY H H 18 8.080 8.913 -0.833 1
1 226 . 12 1 1 A 21 21 GLY HA2 H 18 3.070 4.133 -1.063 1
1 227 . 12 1 1 A 21 21 GLY HA3 H 18 5.270 4.139 1.131 1
1 228 . 12 1 1 A 21 21 GLY C C 18 173.400 172.117 1.283 1
1 229 . 12 1 1 A 21 21 GLY CA C 18 44.600 43.951 0.649 1
1 230 . 12 1 1 A 21 21 GLY N N 18 103.700 113.905 -10.205 1
1 231 . 12 1 1 A 22 22 VAL H H 19 8.520 8.948 -0.428 1
1 232 . 12 1 1 A 22 22 VAL HA H 19 4.570 4.973 -0.403 1
1 240 . 12 1 1 A 22 22 VAL C C 19 172.900 173.555 -0.655 1
1 241 . 12 1 1 A 22 22 VAL CA C 19 58.900 58.698 0.202 1
1 242 . 12 1 1 A 22 22 VAL CB C 19 35.900 35.427 0.473 1
1 245 . 12 1 1 A 22 22 VAL N N 19 112.900 117.346 -4.446 1
1 246 . 12 1 1 A 23 23 CYS H H 20 8.290 8.842 -0.552 1
1 247 . 12 1 1 A 23 23 CYS HA H 20 5.250 5.101 0.149 1
1 250 . 12 1 1 A 23 23 CYS C C 20 173.500 174.248 -0.748 1
1 251 . 12 1 1 A 23 23 CYS CA C 20 56.300 57.243 -0.943 1
1 252 . 12 1 1 A 23 23 CYS CB C 20 27.600 29.927 -2.327 1
1 253 . 12 1 1 A 23 23 CYS N N 20 120.700 121.619 -0.919 1
1 254 . 12 1 1 A 24 24 ALA H H 21 9.590 9.466 0.124 1
1 255 . 12 1 1 A 24 24 ALA HA H 21 4.580 5.000 -0.420 1
1 259 . 12 1 1 A 24 24 ALA C C 21 174.400 174.975 -0.575 1
1 260 . 12 1 1 A 24 24 ALA CA C 21 50.200 50.889 -0.689 1
1 261 . 12 1 1 A 24 24 ALA CB C 21 23.400 24.095 -0.695 1
1 262 . 12 1 1 A 24 24 ALA N N 21 132.500 127.685 4.815 1
1 263 . 12 1 1 A 25 25 LEU H H 22 8.100 8.536 -0.436 1
1 264 . 12 1 1 A 25 25 LEU HA H 22 4.860 4.997 -0.137 1
1 274 . 12 1 1 A 25 25 LEU C C 22 175.800 175.625 0.175 1
1 275 . 12 1 1 A 25 25 LEU CA C 22 53.800 53.465 0.335 1
1 276 . 12 1 1 A 25 25 LEU CB C 22 43.600 45.483 -1.883 1
1 280 . 12 1 1 A 25 25 LEU N N 22 120.700 118.044 2.656 1
1 281 . 12 1 1 A 26 26 LEU H H 23 8.660 8.594 0.066 1
1 282 . 12 1 1 A 26 26 LEU HA H 23 4.410 4.551 -0.141 1
1 292 . 12 1 1 A 26 26 LEU C C 23 176.600 176.636 -0.036 1
1 293 . 12 1 1 A 26 26 LEU CA C 23 53.100 53.474 -0.374 1
1 294 . 12 1 1 A 26 26 LEU CB C 23 43.400 43.584 -0.184 1
1 298 . 12 1 1 A 26 26 LEU N N 23 125.800 125.317 0.483 1
1 299 . 12 1 1 A 27 27 GLY H H 24 8.910 8.917 -0.007 1
1 300 . 12 1 1 A 27 27 GLY HA2 H 24 3.560 3.812 -0.252 1
1 301 . 12 1 1 A 27 27 GLY HA3 H 24 4.000 3.819 0.181 1
1 302 . 12 1 1 A 27 27 GLY C C 24 173.800 174.241 -0.441 1
1 303 . 12 1 1 A 27 27 GLY CA C 24 47.300 47.311 -0.011 1
1 304 . 12 1 1 A 27 27 GLY N N 24 118.300 116.335 1.965 1
1 305 . 12 1 1 A 28 28 ASP H H 25 8.800 8.653 0.147 1
1 306 . 12 1 1 A 28 28 ASP HA H 25 4.690 4.688 0.002 1
1 309 . 12 1 1 A 28 28 ASP C C 25 176.100 175.084 1.016 1
1 310 . 12 1 1 A 28 28 ASP CA C 25 53.900 53.712 0.188 1
1 311 . 12 1 1 A 28 28 ASP CB C 25 41.300 42.288 -0.988 1
1 312 . 12 1 1 A 28 28 ASP N N 25 126.600 125.923 0.677 1
1 313 . 12 1 1 A 29 29 GLU H H 26 8.100 7.529 0.571 1
1 314 . 12 1 1 A 29 29 GLU HA H 26 4.440 4.830 -0.390 1
1 319 . 12 1 1 A 29 29 GLU C C 26 174.800 175.994 -1.194 1
1 320 . 12 1 1 A 29 29 GLU CA C 26 55.800 54.494 1.306 1
1 321 . 12 1 1 A 29 29 GLU CB C 26 30.600 32.027 -1.427 1
1 323 . 12 1 1 A 29 29 GLU N N 26 120.400 119.182 1.218 1
1 324 . 12 1 1 A 30 30 GLN H H 27 8.640 8.399 0.241 1
1 325 . 12 1 1 A 30 30 GLN HA H 27 4.510 4.543 -0.033 1
1 332 . 12 1 1 A 30 30 GLN C C 27 175.800 175.252 0.548 1
1 333 . 12 1 1 A 30 30 GLN CA C 27 55.700 55.456 0.244 1
1 334 . 12 1 1 A 30 30 GLN CB C 27 29.300 29.250 0.050 1
1 336 . 12 1 1 A 30 30 GLN N N 27 121.300 121.603 -0.303 1
1 338 . 12 1 1 A 31 31 VAL H H 28 9.280 9.101 0.179 1
1 339 . 12 1 1 A 31 31 VAL HA H 28 4.040 4.562 -0.522 1
1 347 . 12 1 1 A 31 31 VAL C C 28 172.900 174.289 -1.389 1
1 348 . 12 1 1 A 31 31 VAL CA C 28 61.900 61.062 0.838 1
1 349 . 12 1 1 A 31 31 VAL CB C 28 34.800 33.848 0.952 1
1 352 . 12 1 1 A 31 31 VAL N N 28 128.600 125.501 3.099 1
1 353 . 12 1 1 A 32 32 ALA H H 29 9.440 9.311 0.129 1
1 354 . 12 1 1 A 32 32 ALA HA H 29 4.680 4.876 -0.196 1
1 358 . 12 1 1 A 32 32 ALA C C 29 175.200 175.462 -0.262 1
1 359 . 12 1 1 A 32 32 ALA CA C 29 50.500 50.238 0.262 1
1 360 . 12 1 1 A 32 32 ALA CB C 29 20.200 20.197 0.003 1
1 361 . 12 1 1 A 32 32 ALA N N 29 130.400 128.891 1.509 1
1 362 . 12 1 1 A 33 33 ILE H H 30 8.590 9.271 -0.681 1
1 363 . 12 1 1 A 33 33 ILE HA H 30 4.680 4.610 0.070 1
1 373 . 12 1 1 A 33 33 ILE C C 30 174.800 174.892 -0.092 1
1 374 . 12 1 1 A 33 33 ILE CA C 30 59.900 60.006 -0.106 1
1 375 . 12 1 1 A 33 33 ILE CB C 30 39.300 38.103 1.197 1
1 379 . 12 1 1 A 33 33 ILE N N 30 120.600 123.454 -2.854 1
1 380 . 12 1 1 A 34 34 PHE H H 31 9.430 9.348 0.082 1
1 381 . 12 1 1 A 34 34 PHE HA H 31 5.070 5.226 -0.156 1
1 386 . 12 1 1 A 34 34 PHE C C 31 174.800 174.637 0.163 1
1 387 . 12 1 1 A 34 34 PHE CA C 31 57.200 56.632 0.568 1
1 388 . 12 1 1 A 34 34 PHE CB C 31 43.400 41.155 2.245 1
1 391 . 12 1 1 A 34 34 PHE N N 31 121.800 126.462 -4.662 1
1 392 . 12 1 1 A 35 35 ARG H H 32 8.450 9.199 -0.749 1
1 393 . 12 1 1 A 35 35 ARG HA H 32 5.470 4.872 0.598 1
1 403 . 12 1 1 A 35 35 ARG CA C 32 52.000 52.583 -0.583 1
1 404 . 12 1 1 A 35 35 ARG CB C 32 33.200 31.343 1.857 1
1 407 . 12 1 1 A 35 35 ARG N N 32 123.000 125.090 -2.090 1
1 410 . 12 1 1 A 36 36 PRO HA H 33 3.910 4.521 -0.611 1
1 417 . 12 1 1 A 36 36 PRO C C 33 174.300 175.812 -1.512 1
1 418 . 12 1 1 A 36 36 PRO CA C 33 64.600 64.460 0.140 1
1 419 . 12 1 1 A 36 36 PRO CB C 33 32.800 32.120 0.680 1
1 422 . 12 1 1 A 37 37 TYR H H 34 9.000 7.845 1.155 1
1 423 . 12 1 1 A 37 37 TYR HA H 34 5.250 4.824 0.426 1
1 430 . 12 1 1 A 37 37 TYR C C 34 175.000 176.784 -1.784 1
1 431 . 12 1 1 A 37 37 TYR CA C 34 54.200 57.746 -3.546 1
1 432 . 12 1 1 A 37 37 TYR CB C 34 41.000 40.153 0.847 1
1 437 . 12 1 1 A 37 37 TYR N N 34 115.500 118.577 -3.077 1
1 438 . 12 1 1 A 38 38 HIS H H 35 8.700 9.131 -0.431 1
1 439 . 12 1 1 A 38 38 HIS HA H 35 4.490 4.514 -0.024 1
1 444 . 12 1 1 A 38 38 HIS C C 35 175.800 174.910 0.890 1
1 445 . 12 1 1 A 38 38 HIS CA C 35 56.400 57.867 -1.467 1
1 446 . 12 1 1 A 38 38 HIS CB C 35 28.600 30.608 -2.008 1
1 449 . 12 1 1 A 38 38 HIS N N 35 119.000 122.799 -3.799 1
1 450 . 12 1 1 A 39 39 SER H H 36 7.890 7.857 0.033 1
1 451 . 12 1 1 A 39 39 SER HA H 36 4.770 4.656 0.114 1
1 454 . 12 1 1 A 39 39 SER C C 36 173.800 175.065 -1.265 1
1 455 . 12 1 1 A 39 39 SER CA C 36 57.000 55.921 1.079 1
1 456 . 12 1 1 A 39 39 SER CB C 36 64.700 65.349 -0.649 1
1 457 . 12 1 1 A 39 39 SER N N 36 115.500 114.958 0.542 1
1 458 . 12 1 1 A 40 40 ASP H H 37 8.540 8.664 -0.124 1
1 459 . 12 1 1 A 40 40 ASP HA H 37 4.540 4.637 -0.097 1
1 462 . 12 1 1 A 40 40 ASP C C 37 174.700 176.405 -1.705 1
1 463 . 12 1 1 A 40 40 ASP CA C 37 53.800 54.292 -0.492 1
1 464 . 12 1 1 A 40 40 ASP CB C 37 39.600 39.601 -0.001 1
1 465 . 12 1 1 A 40 40 ASP N N 37 119.400 123.151 -3.751 1
1 466 . 12 1 1 A 41 41 GLN H H 38 7.490 7.786 -0.296 1
1 467 . 12 1 1 A 41 41 GLN HA H 38 4.140 4.255 -0.115 1
1 474 . 12 1 1 A 41 41 GLN C C 38 175.500 175.620 -0.120 1
1 475 . 12 1 1 A 41 41 GLN CA C 38 57.100 55.765 1.335 1
1 476 . 12 1 1 A 41 41 GLN CB C 38 29.400 29.365 0.035 1
1 479 . 12 1 1 A 41 41 GLN N N 38 118.700 119.931 -1.231 1
1 481 . 12 1 1 A 42 42 VAL H H 39 7.800 8.737 -0.937 1
1 482 . 12 1 1 A 42 42 VAL HA H 39 5.600 5.173 0.427 1
1 490 . 12 1 1 A 42 42 VAL C C 39 174.200 174.281 -0.081 1
1 491 . 12 1 1 A 42 42 VAL CA C 39 58.200 59.510 -1.310 1
1 492 . 12 1 1 A 42 42 VAL CB C 39 36.500 35.631 0.869 1
1 495 . 12 1 1 A 42 42 VAL N N 39 116.100 117.561 -1.461 1
1 496 . 12 1 1 A 43 43 PHE H H 40 8.480 9.336 -0.856 1
1 497 . 12 1 1 A 43 43 PHE HA H 40 4.870 5.279 -0.409 1
1 504 . 12 1 1 A 43 43 PHE C C 40 173.900 174.660 -0.760 1
1 505 . 12 1 1 A 43 43 PHE CA C 40 56.800 56.407 0.393 1
1 506 . 12 1 1 A 43 43 PHE CB C 40 45.300 43.410 1.890 1
1 511 . 12 1 1 A 43 43 PHE N N 40 117.200 120.832 -3.632 1
1 512 . 12 1 1 A 44 44 ALA H H 41 9.520 8.167 1.353 1
1 513 . 12 1 1 A 44 44 ALA HA H 41 6.200 5.635 0.565 1
1 517 . 12 1 1 A 44 44 ALA C C 41 176.300 175.710 0.590 1
1 518 . 12 1 1 A 44 44 ALA CA C 41 50.900 50.639 0.261 1
1 519 . 12 1 1 A 44 44 ALA CB C 41 24.100 22.827 1.273 1
1 520 . 12 1 1 A 44 44 ALA N N 41 125.100 122.207 2.893 1
1 521 . 12 1 1 A 45 45 ILE H H 42 8.970 8.836 0.134 1
1 522 . 12 1 1 A 45 45 ILE HA H 42 5.580 4.982 0.598 1
1 532 . 12 1 1 A 45 45 ILE C C 42 174.600 174.994 -0.394 1
1 533 . 12 1 1 A 45 45 ILE CA C 42 59.300 58.754 0.546 1
1 534 . 12 1 1 A 45 45 ILE CB C 42 44.300 42.225 2.075 1
1 538 . 12 1 1 A 45 45 ILE N N 42 117.100 117.399 -0.299 1
1 539 . 12 1 1 A 46 46 SER H H 43 8.460 8.427 0.033 1
1 540 . 12 1 1 A 46 46 SER HA H 43 4.350 4.755 -0.405 1
1 543 . 12 1 1 A 46 46 SER C C 43 172.100 175.252 -3.152 1
1 544 . 12 1 1 A 46 46 SER CA C 43 59.500 58.325 1.175 1
1 545 . 12 1 1 A 46 46 SER CB C 43 64.900 63.847 1.053 1
1 546 . 12 1 1 A 46 46 SER N N 43 112.400 117.488 -5.088 1
1 547 . 12 1 1 A 47 47 ASN H H 44 7.990 9.154 -1.164 1
1 548 . 12 1 1 A 47 47 ASN HA H 44 4.940 4.872 0.068 1
1 553 . 12 1 1 A 47 47 ASN C C 44 175.800 175.118 0.682 1
1 554 . 12 1 1 A 47 47 ASN CA C 44 53.800 53.449 0.351 1
1 555 . 12 1 1 A 47 47 ASN CB C 44 40.600 38.662 1.938 1
1 556 . 12 1 1 A 47 47 ASN N N 44 117.800 122.106 -4.306 1
1 558 . 12 1 1 A 48 48 ILE H H 45 8.190 7.626 0.564 1
1 559 . 12 1 1 A 48 48 ILE HA H 45 4.100 4.420 -0.320 1
1 569 . 12 1 1 A 48 48 ILE C C 45 175.200 174.275 0.925 1
1 570 . 12 1 1 A 48 48 ILE CA C 45 59.400 60.312 -0.912 1
1 571 . 12 1 1 A 48 48 ILE CB C 45 36.500 39.258 -2.758 1
1 575 . 12 1 1 A 48 48 ILE N N 45 118.300 121.376 -3.076 1
1 576 . 12 1 1 A 49 49 ASP H H 46 8.720 8.945 -0.225 1
1 577 . 12 1 1 A 49 49 ASP HA H 46 4.530 4.985 -0.455 1
1 580 . 12 1 1 A 49 49 ASP CA C 46 51.400 51.190 0.210 1
1 581 . 12 1 1 A 49 49 ASP CB C 46 42.900 42.311 0.589 1
1 582 . 12 1 1 A 49 49 ASP N N 46 128.600 127.744 0.856 1
1 583 . 12 1 1 A 50 50 PRO HA H 47 4.500 4.528 -0.028 1
1 590 . 12 1 1 A 50 50 PRO C C 47 177.800 177.415 0.385 1
1 591 . 12 1 1 A 50 50 PRO CA C 47 63.700 63.830 -0.130 1
1 592 . 12 1 1 A 50 50 PRO CB C 47 32.200 32.771 -0.571 1
1 595 . 12 1 1 A 51 51 PHE H H 48 9.270 7.913 1.357 1
1 596 . 12 1 1 A 51 51 PHE HA H 48 3.980 4.005 -0.025 1
1 601 . 12 1 1 A 51 51 PHE C C 48 177.100 177.058 0.042 1
1 602 . 12 1 1 A 51 51 PHE CA C 48 61.400 61.517 -0.117 1
1 603 . 12 1 1 A 51 51 PHE CB C 48 37.900 39.574 -1.674 1
1 606 . 12 1 1 A 51 51 PHE N N 48 121.800 119.068 2.732 1
1 607 . 12 1 1 A 52 52 PHE H H 49 7.440 8.837 -1.397 1
1 608 . 12 1 1 A 52 52 PHE HA H 49 4.560 4.658 -0.098 1
1 616 . 12 1 1 A 52 52 PHE C C 49 176.100 174.786 1.314 1
1 617 . 12 1 1 A 52 52 PHE CA C 49 58.300 57.497 0.803 1
1 618 . 12 1 1 A 52 52 PHE CB C 49 42.000 39.500 2.500 1
1 624 . 12 1 1 A 52 52 PHE N N 49 114.500 114.554 -0.054 1
1 625 . 12 1 1 A 53 53 GLU H H 50 8.590 7.724 0.866 1
1 626 . 12 1 1 A 53 53 GLU HA H 50 3.780 4.144 -0.364 1
1 631 . 12 1 1 A 53 53 GLU C C 50 175.000 174.648 0.352 1
1 632 . 12 1 1 A 53 53 GLU CA C 50 57.300 57.399 -0.099 1
1 633 . 12 1 1 A 53 53 GLU CB C 50 27.100 27.076 0.024 1
1 635 . 12 1 1 A 53 53 GLU N N 50 120.300 116.234 4.066 1
1 636 . 12 1 1 A 54 54 SER H H 51 7.100 7.618 -0.518 1
1 637 . 12 1 1 A 54 54 SER HA H 51 4.910 4.912 -0.002 1
1 640 . 12 1 1 A 54 54 SER CA C 51 56.500 56.292 0.208 1
1 641 . 12 1 1 A 54 54 SER CB C 51 66.100 64.837 1.263 1
1 642 . 12 1 1 A 54 54 SER N N 51 110.300 112.874 -2.574 1
1 643 . 12 1 1 A 55 55 SER HA H 52 4.550 4.358 0.192 1
1 646 . 12 1 1 A 55 55 SER C C 52 173.500 174.279 -0.779 1
1 647 . 12 1 1 A 55 55 SER CA C 52 56.700 59.688 -2.988 1
1 648 . 12 1 1 A 55 55 SER CB C 52 62.100 63.590 -1.490 1
1 649 . 12 1 1 A 56 56 VAL H H 53 7.590 7.402 0.188 1
1 650 . 12 1 1 A 56 56 VAL HA H 53 4.900 4.458 0.442 1
1 658 . 12 1 1 A 56 56 VAL C C 53 176.800 175.835 0.965 1
1 659 . 12 1 1 A 56 56 VAL CA C 53 61.300 60.014 1.286 1
1 660 . 12 1 1 A 56 56 VAL CB C 53 36.200 34.719 1.481 1
1 663 . 12 1 1 A 56 56 VAL N N 53 117.400 117.604 -0.204 1
1 664 . 12 1 1 A 57 57 LEU H H 54 8.690 8.975 -0.285 1
1 665 . 12 1 1 A 57 57 LEU HA H 54 3.930 4.376 -0.446 1
1 675 . 12 1 1 A 57 57 LEU C C 54 179.500 178.761 0.739 1
1 676 . 12 1 1 A 57 57 LEU CA C 54 60.000 55.729 4.271 1
1 677 . 12 1 1 A 57 57 LEU CB C 54 40.800 42.430 -1.630 1
1 681 . 12 1 1 A 57 57 LEU N N 54 121.100 126.463 -5.363 1
1 682 . 12 1 1 A 58 58 SER H H 55 9.750 8.105 1.645 1
1 683 . 12 1 1 A 58 58 SER HA H 55 3.800 4.399 -0.599 1
1 686 . 12 1 1 A 58 58 SER C C 55 174.100 175.479 -1.379 1
1 687 . 12 1 1 A 58 58 SER CA C 55 61.600 60.776 0.824 1
1 688 . 12 1 1 A 58 58 SER CB C 55 61.900 62.617 -0.717 1
1 689 . 12 1 1 A 58 58 SER N N 55 113.400 114.393 -0.993 1
1 690 . 12 1 1 A 59 59 ARG H H 56 7.510 7.676 -0.166 1
1 691 . 12 1 1 A 59 59 ARG HA H 56 4.560 4.564 -0.004 1
1 698 . 12 1 1 A 59 59 ARG C C 56 177.500 175.277 2.223 1
1 699 . 12 1 1 A 59 59 ARG CA C 56 55.400 55.093 0.307 1
1 700 . 12 1 1 A 59 59 ARG CB C 56 30.400 30.105 0.295 1
1 703 . 12 1 1 A 59 59 ARG N N 56 118.400 120.563 -2.163 1
1 704 . 12 1 1 A 60 60 GLY H H 57 8.550 7.947 0.603 1
1 705 . 12 1 1 A 60 60 GLY HA2 H 57 4.020 4.313 -0.293 1
1 706 . 12 1 1 A 60 60 GLY HA3 H 57 4.020 4.335 -0.315 1
1 707 . 12 1 1 A 60 60 GLY C C 57 171.200 172.905 -1.705 1
1 708 . 12 1 1 A 60 60 GLY CA C 57 45.400 44.343 1.057 1
1 709 . 12 1 1 A 60 60 GLY N N 57 108.600 109.298 -0.698 1
1 710 . 12 1 1 A 61 61 LEU H H 58 7.740 8.406 -0.666 1
1 711 . 12 1 1 A 61 61 LEU HA H 58 4.640 4.969 -0.329 1
1 721 . 12 1 1 A 61 61 LEU C C 58 177.000 175.855 1.145 1
1 722 . 12 1 1 A 61 61 LEU CA C 58 54.200 53.395 0.805 1
1 723 . 12 1 1 A 61 61 LEU CB C 58 43.700 43.560 0.140 1
1 727 . 12 1 1 A 61 61 LEU N N 58 119.100 117.209 1.891 1
1 728 . 12 1 1 A 62 62 ILE H H 59 8.780 8.706 0.074 1
1 729 . 12 1 1 A 62 62 ILE HA H 59 4.660 4.816 -0.156 1
1 739 . 12 1 1 A 62 62 ILE C C 59 175.500 174.777 0.723 1
1 740 . 12 1 1 A 62 62 ILE CA C 59 60.600 60.484 0.116 1
1 741 . 12 1 1 A 62 62 ILE CB C 59 38.700 38.421 0.279 1
1 745 . 12 1 1 A 62 62 ILE N N 59 126.500 122.102 4.398 1
1 746 . 12 1 1 A 63 63 ALA H H 60 9.110 9.447 -0.337 1
1 747 . 12 1 1 A 63 63 ALA HA H 60 4.590 5.255 -0.665 1
1 751 . 12 1 1 A 63 63 ALA C C 60 175.000 175.891 -0.891 1
1 752 . 12 1 1 A 63 63 ALA CA C 60 51.300 50.198 1.102 1
1 753 . 12 1 1 A 63 63 ALA CB C 60 23.100 21.594 1.506 1
1 754 . 12 1 1 A 63 63 ALA N N 60 129.300 130.271 -0.971 1
1 755 . 12 1 1 A 64 64 GLU H H 61 8.460 8.935 -0.475 1
1 756 . 12 1 1 A 64 64 GLU HA H 61 5.070 4.858 0.212 1
1 761 . 12 1 1 A 64 64 GLU C C 61 176.000 175.645 0.355 1
1 762 . 12 1 1 A 64 64 GLU CA C 61 55.100 56.151 -1.051 1
1 763 . 12 1 1 A 64 64 GLU CB C 61 31.200 30.998 0.202 1
1 765 . 12 1 1 A 64 64 GLU N N 61 121.500 124.382 -2.882 1
1 766 . 12 1 1 A 65 65 HIS H H 62 9.310 8.589 0.721 1
1 767 . 12 1 1 A 65 65 HIS HA H 62 4.740 4.721 0.019 1
1 772 . 12 1 1 A 65 65 HIS CA C 62 56.400 56.986 -0.586 1
1 773 . 12 1 1 A 65 65 HIS CB C 62 32.600 30.828 1.772 1
1 776 . 12 1 1 A 65 65 HIS N N 62 123.500 122.070 1.430 1
1 777 . 12 1 1 A 66 66 GLN HA H 63 3.870 4.403 -0.533 1
1 784 . 12 1 1 A 66 66 GLN C C 63 176.000 176.088 -0.088 1
1 785 . 12 1 1 A 66 66 GLN CA C 63 56.600 54.540 2.060 1
1 786 . 12 1 1 A 66 66 GLN CB C 63 26.800 29.874 -3.074 1
1 790 . 12 1 1 A 67 67 GLY H H 64 8.970 8.346 0.624 1
1 791 . 12 1 1 A 67 67 GLY HA2 H 64 3.680 3.968 -0.288 1
1 792 . 12 1 1 A 67 67 GLY HA3 H 64 4.140 3.981 0.159 1
1 793 . 12 1 1 A 67 67 GLY C C 64 173.800 173.845 -0.045 1
1 794 . 12 1 1 A 67 67 GLY CA C 64 45.600 45.189 0.411 1
1 795 . 12 1 1 A 67 67 GLY N N 64 104.200 114.066 -9.866 1
1 796 . 12 1 1 A 68 68 GLU H H 65 7.850 8.010 -0.160 1
1 797 . 12 1 1 A 68 68 GLU HA H 65 4.810 4.492 0.318 1
1 802 . 12 1 1 A 68 68 GLU C C 65 174.400 175.566 -1.166 1
1 803 . 12 1 1 A 68 68 GLU CA C 65 54.100 55.999 -1.899 1
1 804 . 12 1 1 A 68 68 GLU CB C 65 34.000 30.805 3.195 1
1 806 . 12 1 1 A 68 68 GLU N N 65 118.800 120.576 -1.776 1
1 807 . 12 1 1 A 69 69 LEU H H 66 8.030 9.008 -0.978 1
1 808 . 12 1 1 A 69 69 LEU HA H 66 4.920 4.829 0.091 1
1 818 . 12 1 1 A 69 69 LEU C C 66 177.100 175.779 1.321 1
1 819 . 12 1 1 A 69 69 LEU CA C 66 54.300 53.509 0.791 1
1 820 . 12 1 1 A 69 69 LEU CB C 66 44.500 42.670 1.830 1
1 824 . 12 1 1 A 69 69 LEU N N 66 119.000 123.370 -4.370 1
1 825 . 12 1 1 A 70 70 TRP H H 67 8.980 9.325 -0.345 1
1 826 . 12 1 1 A 70 70 TRP HA H 67 5.140 5.186 -0.046 1
1 835 . 12 1 1 A 70 70 TRP C C 67 174.400 175.506 -1.106 1
1 836 . 12 1 1 A 70 70 TRP CA C 67 55.100 56.521 -1.421 1
1 837 . 12 1 1 A 70 70 TRP CB C 67 31.800 31.567 0.233 1
1 843 . 12 1 1 A 70 70 TRP N N 67 122.200 125.647 -3.447 1
1 845 . 12 1 1 A 71 71 VAL H H 68 9.490 9.095 0.395 1
1 846 . 12 1 1 A 71 71 VAL HA H 68 4.990 4.795 0.195 1
1 854 . 12 1 1 A 71 71 VAL C C 68 173.000 174.187 -1.187 1
1 855 . 12 1 1 A 71 71 VAL CA C 68 58.500 60.156 -1.656 1
1 856 . 12 1 1 A 71 71 VAL CB C 68 34.300 33.401 0.899 1
1 859 . 12 1 1 A 71 71 VAL N N 68 120.900 122.688 -1.788 1
1 860 . 12 1 1 A 72 72 ALA H H 69 8.550 9.598 -1.048 1
1 861 . 12 1 1 A 72 72 ALA HA H 69 5.280 5.818 -0.538 1
1 865 . 12 1 1 A 72 72 ALA C C 69 178.000 176.076 1.924 1
1 866 . 12 1 1 A 72 72 ALA CA C 69 49.200 50.264 -1.064 1
1 867 . 12 1 1 A 72 72 ALA CB C 69 19.700 21.165 -1.465 1
1 868 . 12 1 1 A 72 72 ALA N N 69 130.000 131.368 -1.368 1
1 869 . 12 1 1 A 73 73 SER H H 70 9.470 9.194 0.276 1
1 870 . 12 1 1 A 73 73 SER HA H 70 4.540 4.609 -0.069 1
1 873 . 12 1 1 A 73 73 SER CA C 70 55.700 56.446 -0.746 1
1 874 . 12 1 1 A 73 73 SER CB C 70 64.400 63.388 1.012 1
1 875 . 12 1 1 A 73 73 SER N N 70 118.100 120.405 -2.305 1
1 876 . 12 1 1 A 74 74 PRO HA H 71 4.540 4.449 0.091 1
1 883 . 12 1 1 A 74 74 PRO C C 71 176.700 177.802 -1.102 1
1 884 . 12 1 1 A 74 74 PRO CA C 71 64.000 64.194 -0.194 1
1 885 . 12 1 1 A 74 74 PRO CB C 71 32.300 31.759 0.541 1
1 888 . 12 1 1 A 75 75 LEU H H 72 7.850 8.030 -0.180 1
1 889 . 12 1 1 A 75 75 LEU HA H 72 4.330 3.929 0.401 1
1 899 . 12 1 1 A 75 75 LEU CA C 72 56.200 57.277 -1.077 1
1 900 . 12 1 1 A 75 75 LEU CB C 72 38.500 41.862 -3.362 1
1 904 . 12 1 1 A 75 75 LEU N N 72 119.300 118.761 0.539 1
1 905 . 12 1 1 A 76 76 LYS HA H 73 4.470 4.452 0.018 1
1 914 . 12 1 1 A 76 76 LYS C C 73 176.600 176.972 -0.372 1
1 915 . 12 1 1 A 76 76 LYS CA C 73 54.600 56.736 -2.136 1
1 916 . 12 1 1 A 76 76 LYS CB C 73 31.700 33.878 -2.178 1
1 920 . 12 1 1 A 77 77 LYS H H 74 7.240 7.935 -0.695 1
1 921 . 12 1 1 A 77 77 LYS HA H 74 4.440 4.397 0.043 1
1 930 . 12 1 1 A 77 77 LYS C C 74 175.500 175.692 -0.192 1
1 931 . 12 1 1 A 77 77 LYS CA C 74 57.800 55.343 2.457 1
1 932 . 12 1 1 A 77 77 LYS CB C 74 28.600 33.738 -5.138 1
1 936 . 12 1 1 A 77 77 LYS N N 74 110.900 118.300 -7.400 1
1 937 . 12 1 1 A 78 78 GLN H H 75 8.080 7.619 0.461 1
1 938 . 12 1 1 A 78 78 GLN HA H 75 4.030 4.156 -0.126 1
1 945 . 12 1 1 A 78 78 GLN C C 75 174.500 175.205 -0.705 1
1 946 . 12 1 1 A 78 78 GLN CA C 75 58.400 55.905 2.495 1
1 947 . 12 1 1 A 78 78 GLN CB C 75 27.400 29.576 -2.176 1
1 949 . 12 1 1 A 78 78 GLN N N 75 119.100 121.006 -1.906 1
1 951 . 12 1 1 A 79 79 ARG H H 76 9.800 8.718 1.082 1
1 952 . 12 1 1 A 79 79 ARG HA H 76 5.310 5.139 0.171 1
1 960 . 12 1 1 A 79 79 ARG C C 76 175.800 175.135 0.665 1
1 961 . 12 1 1 A 79 79 ARG CA C 76 55.300 55.098 0.202 1
1 962 . 12 1 1 A 79 79 ARG CB C 76 33.100 32.696 0.404 1
1 965 . 12 1 1 A 79 79 ARG N N 76 122.800 123.721 -0.921 1
1 967 . 12 1 1 A 80 80 PHE H H 77 9.220 9.734 -0.514 1
1 968 . 12 1 1 A 80 80 PHE HA H 77 5.630 5.264 0.366 1
1 976 . 12 1 1 A 80 80 PHE C C 77 175.300 174.674 0.626 1
1 977 . 12 1 1 A 80 80 PHE CA C 77 55.800 56.803 -1.003 1
1 978 . 12 1 1 A 80 80 PHE CB C 77 41.300 41.919 -0.619 1
1 984 . 12 1 1 A 80 80 PHE N N 77 119.400 122.485 -3.085 1
1 985 . 12 1 1 A 81 81 ARG H H 78 9.870 9.023 0.847 1
1 986 . 12 1 1 A 81 81 ARG HA H 78 3.490 3.920 -0.430 1
1 996 . 12 1 1 A 81 81 ARG C C 78 177.400 176.173 1.227 1
1 997 . 12 1 1 A 81 81 ARG CA C 78 58.100 55.892 2.208 1
1 998 . 12 1 1 A 81 81 ARG CB C 78 30.500 29.442 1.058 1
1 1001 . 12 1 1 A 81 81 ARG N N 78 130.100 124.967 5.133 1
1 1004 . 12 1 1 A 82 82 LEU H H 79 7.860 8.054 -0.194 1
1 1005 . 12 1 1 A 82 82 LEU HA H 79 3.790 4.085 -0.295 1
1 1015 . 12 1 1 A 82 82 LEU C C 79 177.500 178.810 -1.310 1
1 1016 . 12 1 1 A 82 82 LEU CA C 79 57.600 57.088 0.512 1
1 1017 . 12 1 1 A 82 82 LEU CB C 79 39.600 41.212 -1.612 1
1 1021 . 12 1 1 A 82 82 LEU N N 79 125.300 127.104 -1.804 1
1 1022 . 12 1 1 A 83 83 SER H H 80 8.000 7.571 0.429 1
1 1023 . 12 1 1 A 83 83 SER HA H 80 4.200 3.270 0.930 1
1 1026 . 12 1 1 A 83 83 SER C C 80 176.600 174.981 1.619 1
1 1027 . 12 1 1 A 83 83 SER CA C 80 60.100 61.328 -1.228 1
1 1028 . 12 1 1 A 83 83 SER CB C 80 62.500 62.489 0.011 1
1 1029 . 12 1 1 A 83 83 SER N N 80 109.700 114.821 -5.121 1
1 1030 . 12 1 1 A 84 84 ASP H H 81 7.100 7.822 -0.722 1
1 1031 . 12 1 1 A 84 84 ASP HA H 81 4.090 4.382 -0.292 1
1 1034 . 12 1 1 A 84 84 ASP C C 81 175.900 176.795 -0.895 1
1 1035 . 12 1 1 A 84 84 ASP CA C 81 53.500 53.752 -0.252 1
1 1036 . 12 1 1 A 84 84 ASP CB C 81 41.900 41.881 0.019 1
1 1037 . 12 1 1 A 84 84 ASP N N 81 117.300 117.418 -0.118 1
1 1038 . 12 1 1 A 85 85 GLY H H 82 8.860 8.331 0.529 1
1 1039 . 12 1 1 A 85 85 GLY HA2 H 82 3.590 3.992 -0.402 1
1 1040 . 12 1 1 A 85 85 GLY HA3 H 82 4.810 3.994 0.816 1
1 1041 . 12 1 1 A 85 85 GLY C C 82 173.700 174.340 -0.640 1
1 1042 . 12 1 1 A 85 85 GLY CA C 82 45.900 45.676 0.224 1
1 1043 . 12 1 1 A 85 85 GLY N N 82 111.300 107.785 3.515 1
1 1044 . 12 1 1 A 86 86 LEU H H 83 7.430 7.863 -0.433 1
1 1045 . 12 1 1 A 86 86 LEU HA H 83 4.290 4.724 -0.434 1
1 1055 . 12 1 1 A 86 86 LEU C C 83 176.600 176.313 0.287 1
1 1056 . 12 1 1 A 86 86 LEU CA C 83 56.200 54.606 1.594 1
1 1057 . 12 1 1 A 86 86 LEU CB C 83 43.100 43.239 -0.139 1
1 1061 . 12 1 1 A 86 86 LEU N N 83 120.800 122.733 -1.933 1
1 1062 . 12 1 1 A 87 87 CYS H H 84 8.080 8.756 -0.676 1
1 1063 . 12 1 1 A 87 87 CYS HA H 84 5.290 4.646 0.644 1
1 1066 . 12 1 1 A 87 87 CYS C C 84 175.300 175.938 -0.638 1
1 1067 . 12 1 1 A 87 87 CYS CA C 84 56.600 58.843 -2.243 1
1 1068 . 12 1 1 A 87 87 CYS CB C 84 27.800 27.834 -0.034 1
1 1069 . 12 1 1 A 87 87 CYS N N 84 126.300 125.785 0.515 1
1 1070 . 12 1 1 A 88 88 MET H H 85 8.760 8.832 -0.072 1
1 1071 . 12 1 1 A 88 88 MET HA H 85 3.630 4.141 -0.511 1
1 1079 . 12 1 1 A 88 88 MET C C 85 177.500 177.960 -0.460 1
1 1080 . 12 1 1 A 88 88 MET CA C 85 58.800 58.715 0.085 1
1 1081 . 12 1 1 A 88 88 MET CB C 85 33.800 32.397 1.403 1
1 1084 . 12 1 1 A 88 88 MET N N 85 130.500 125.310 5.190 1
1 1085 . 12 1 1 A 89 89 GLU H H 86 9.160 8.096 1.064 1
1 1086 . 12 1 1 A 89 89 GLU HA H 86 3.770 4.193 -0.423 1
1 1091 . 12 1 1 A 89 89 GLU C C 86 177.500 177.057 0.443 1
1 1092 . 12 1 1 A 89 89 GLU CA C 86 60.900 58.519 2.381 1
1 1093 . 12 1 1 A 89 89 GLU CB C 86 29.300 29.903 -0.603 1
1 1095 . 12 1 1 A 89 89 GLU N N 86 119.200 117.786 1.414 1
1 1096 . 12 1 1 A 90 90 ASP H H 87 7.080 8.114 -1.034 1
1 1097 . 12 1 1 A 90 90 ASP HA H 87 4.590 4.788 -0.198 1
1 1100 . 12 1 1 A 90 90 ASP CA C 87 54.700 54.720 -0.020 1
1 1101 . 12 1 1 A 90 90 ASP CB C 87 41.800 41.407 0.393 1
1 1102 . 12 1 1 A 90 90 ASP N N 87 115.800 119.784 -3.984 1
1 1103 . 12 1 1 A 91 91 GLU H H 88 9.340 8.338 1.002 1
1 1104 . 12 1 1 A 91 91 GLU HA H 88 4.290 4.105 0.185 1
1 1109 . 12 1 1 A 91 91 GLU C C 88 178.900 178.118 0.782 1
1 1110 . 12 1 1 A 91 91 GLU CA C 88 59.000 59.435 -0.435 1
1 1111 . 12 1 1 A 91 91 GLU CB C 88 29.100 29.081 0.019 1
1 1113 . 12 1 1 A 91 91 GLU N N 88 127.400 119.620 7.780 1
1 1114 . 12 1 1 A 92 92 GLN H H 89 8.920 7.894 1.026 1
1 1115 . 12 1 1 A 92 92 GLN HA H 89 4.170 3.950 0.220 1
1 1122 . 12 1 1 A 92 92 GLN C C 89 176.600 177.449 -0.849 1
1 1123 . 12 1 1 A 92 92 GLN CA C 89 57.800 58.297 -0.497 1
1 1124 . 12 1 1 A 92 92 GLN CB C 89 28.400 28.955 -0.555 1
1 1127 . 12 1 1 A 92 92 GLN N N 89 120.400 118.887 1.513 1
1 1129 . 12 1 1 A 93 93 PHE H H 90 8.150 8.211 -0.061 1
1 1130 . 12 1 1 A 93 93 PHE HA H 90 4.430 4.473 -0.043 1
1 1138 . 12 1 1 A 93 93 PHE C C 90 172.600 176.291 -3.691 1
1 1139 . 12 1 1 A 93 93 PHE CA C 90 57.800 60.218 -2.418 1
1 1140 . 12 1 1 A 93 93 PHE CB C 90 39.300 40.058 -0.758 1
1 1146 . 12 1 1 A 93 93 PHE N N 90 119.700 116.172 3.528 1
1 1147 . 12 1 1 A 94 94 SER H H 91 7.020 7.775 -0.755 1
1 1148 . 12 1 1 A 94 94 SER HA H 91 4.870 4.949 -0.079 1
1 1152 . 12 1 1 A 94 94 SER C C 91 174.100 174.070 0.030 1
1 1153 . 12 1 1 A 94 94 SER CA C 91 60.900 60.952 -0.052 1
1 1154 . 12 1 1 A 94 94 SER CB C 91 63.600 62.185 1.415 1
1 1155 . 12 1 1 A 94 94 SER N N 91 112.700 112.468 0.232 1
1 1156 . 12 1 1 A 95 95 VAL H H 92 9.120 8.423 0.697 1
1 1157 . 12 1 1 A 95 95 VAL HA H 92 4.810 4.921 -0.111 1
1 1165 . 12 1 1 A 95 95 VAL C C 92 175.700 174.413 1.287 1
1 1166 . 12 1 1 A 95 95 VAL CA C 92 59.200 59.209 -0.009 1
1 1167 . 12 1 1 A 95 95 VAL CB C 92 35.700 35.694 0.006 1
1 1170 . 12 1 1 A 95 95 VAL N N 92 116.900 117.686 -0.786 1
1 1171 . 12 1 1 A 96 96 LYS H H 93 8.390 8.382 0.008 1
1 1172 . 12 1 1 A 96 96 LYS HA H 93 4.010 4.425 -0.415 1
1 1181 . 12 1 1 A 96 96 LYS C C 93 174.800 176.156 -1.356 1
1 1182 . 12 1 1 A 96 96 LYS CA C 93 57.700 55.330 2.370 1
1 1183 . 12 1 1 A 96 96 LYS CB C 93 34.000 33.372 0.628 1
1 1187 . 12 1 1 A 96 96 LYS N N 93 120.300 122.551 -2.251 1
1 1188 . 12 1 1 A 97 97 HIS H H 94 8.030 8.699 -0.669 1
1 1189 . 12 1 1 A 97 97 HIS HA H 94 5.060 4.826 0.234 1
1 1194 . 12 1 1 A 97 97 HIS C C 94 172.600 172.998 -0.398 1
1 1195 . 12 1 1 A 97 97 HIS CA C 94 54.700 55.681 -0.981 1
1 1196 . 12 1 1 A 97 97 HIS CB C 94 31.400 31.562 -0.162 1
1 1199 . 12 1 1 A 97 97 HIS N N 94 121.000 126.826 -5.826 1
1 1200 . 12 1 1 A 98 98 TYR H H 95 7.610 8.661 -1.051 1
1 1201 . 12 1 1 A 98 98 TYR HA H 95 4.410 4.673 -0.263 1
1 1208 . 12 1 1 A 98 98 TYR C C 95 173.600 175.444 -1.844 1
1 1209 . 12 1 1 A 98 98 TYR CA C 95 56.400 56.422 -0.022 1
1 1210 . 12 1 1 A 98 98 TYR CB C 95 40.900 41.361 -0.461 1
1 1215 . 12 1 1 A 98 98 TYR N N 95 121.800 124.823 -3.023 1
1 1216 . 12 1 1 A 99 99 GLU H H 96 8.480 9.043 -0.563 1
1 1217 . 12 1 1 A 99 99 GLU HA H 96 4.420 4.725 -0.305 1
1 1222 . 12 1 1 A 99 99 GLU C C 96 174.300 176.659 -2.359 1
1 1223 . 12 1 1 A 99 99 GLU CA C 96 56.600 57.186 -0.586 1
1 1224 . 12 1 1 A 99 99 GLU CB C 96 30.700 30.173 0.527 1
1 1226 . 12 1 1 A 99 99 GLU N N 96 122.200 124.524 -2.324 1
1 1227 . 12 1 1 A 100 100 ALA H H 97 8.420 8.632 -0.212 1
1 1228 . 12 1 1 A 100 100 ALA HA H 97 5.940 6.130 -0.190 1
1 1232 . 12 1 1 A 100 100 ALA C C 97 176.100 175.877 0.223 1
1 1233 . 12 1 1 A 100 100 ALA CA C 97 50.400 50.479 -0.079 1
1 1234 . 12 1 1 A 100 100 ALA CB C 97 23.700 22.666 1.034 1
1 1235 . 12 1 1 A 100 100 ALA N N 97 124.100 127.096 -2.996 1
1 1236 . 12 1 1 A 101 101 ARG H H 98 9.000 8.810 0.190 1
1 1237 . 12 1 1 A 101 101 ARG HA H 98 4.640 5.028 -0.388 1
1 1245 . 12 1 1 A 101 101 ARG C C 98 172.100 174.157 -2.057 1
1 1246 . 12 1 1 A 101 101 ARG CA C 98 54.200 54.271 -0.071 1
1 1247 . 12 1 1 A 101 101 ARG CB C 98 32.800 33.989 -1.189 1
1 1250 . 12 1 1 A 101 101 ARG N N 98 118.400 118.738 -0.338 1
1 1252 . 12 1 1 A 102 102 VAL H H 99 8.330 8.713 -0.383 1
1 1253 . 12 1 1 A 102 102 VAL HA H 99 4.720 4.649 0.071 1
1 1261 . 12 1 1 A 102 102 VAL C C 99 175.200 174.160 1.040 1
1 1262 . 12 1 1 A 102 102 VAL CA C 99 61.100 61.752 -0.652 1
1 1263 . 12 1 1 A 102 102 VAL CB C 99 32.700 32.704 -0.004 1
1 1266 . 12 1 1 A 102 102 VAL N N 99 119.500 121.944 -2.444 1
1 1267 . 12 1 1 A 103 103 LYS H H 100 9.070 9.519 -0.449 1
1 1268 . 12 1 1 A 103 103 LYS HA H 100 4.460 4.635 -0.175 1
1 1277 . 12 1 1 A 103 103 LYS C C 100 175.700 175.452 0.248 1
1 1278 . 12 1 1 A 103 103 LYS CA C 100 54.300 55.041 -0.741 1
1 1279 . 12 1 1 A 103 103 LYS CB C 100 34.800 34.515 0.285 1
1 1283 . 12 1 1 A 103 103 LYS N N 100 130.200 128.026 2.174 1
1 1284 . 12 1 1 A 104 104 ASP H H 101 9.560 9.338 0.222 1
1 1285 . 12 1 1 A 104 104 ASP HA H 101 4.210 4.267 -0.057 1
1 1288 . 12 1 1 A 104 104 ASP C C 101 175.800 175.258 0.542 1
1 1289 . 12 1 1 A 104 104 ASP CA C 101 55.500 55.010 0.490 1
1 1290 . 12 1 1 A 104 104 ASP CB C 101 39.700 39.739 -0.039 1
1 1291 . 12 1 1 A 104 104 ASP N N 101 130.600 127.010 3.590 1
1 1292 . 12 1 1 A 105 105 GLY H H 102 8.260 8.454 -0.194 1
1 1293 . 12 1 1 A 105 105 GLY HA2 H 102 3.450 3.790 -0.340 1
1 1294 . 12 1 1 A 105 105 GLY HA3 H 102 4.170 3.791 0.379 1
1 1295 . 12 1 1 A 105 105 GLY C C 102 173.300 173.700 -0.400 1
1 1296 . 12 1 1 A 105 105 GLY CA C 102 45.300 45.371 -0.071 1
1 1297 . 12 1 1 A 105 105 GLY N N 102 101.900 104.394 -2.494 1
1 1298 . 12 1 1 A 106 106 VAL H H 103 7.900 8.052 -0.152 1
1 1299 . 12 1 1 A 106 106 VAL HA H 103 4.270 4.174 0.096 1
1 1307 . 12 1 1 A 106 106 VAL C C 103 175.100 174.696 0.404 1
1 1308 . 12 1 1 A 106 106 VAL CA C 103 62.100 62.034 0.066 1
1 1309 . 12 1 1 A 106 106 VAL CB C 103 34.100 32.587 1.513 1
1 1312 . 12 1 1 A 106 106 VAL N N 103 123.800 122.629 1.171 1
1 1313 . 12 1 1 A 107 107 VAL H H 104 9.290 9.444 -0.154 1
1 1314 . 12 1 1 A 107 107 VAL HA H 104 4.220 4.167 0.053 1
1 1322 . 12 1 1 A 107 107 VAL C C 104 174.300 175.689 -1.389 1
1 1323 . 12 1 1 A 107 107 VAL CA C 104 62.700 62.901 -0.201 1
1 1324 . 12 1 1 A 107 107 VAL CB C 104 31.500 31.481 0.019 1
1 1327 . 12 1 1 A 107 107 VAL N N 104 127.300 127.978 -0.678 1
1 1328 . 12 1 1 A 108 108 GLN H H 105 9.410 9.297 0.113 1
1 1329 . 12 1 1 A 108 108 GLN HA H 105 5.720 5.524 0.196 1
1 1336 . 12 1 1 A 108 108 GLN C C 105 174.900 175.106 -0.206 1
1 1337 . 12 1 1 A 108 108 GLN CA C 105 53.400 54.880 -1.480 1
1 1338 . 12 1 1 A 108 108 GLN CB C 105 34.600 31.343 3.257 1
1 1341 . 12 1 1 A 108 108 GLN N N 105 126.500 127.155 -0.655 1
1 1343 . 12 1 1 A 109 109 LEU H H 106 8.530 9.165 -0.635 1
1 1344 . 12 1 1 A 109 109 LEU HA H 106 5.760 5.141 0.619 1
1 1354 . 12 1 1 A 109 109 LEU C C 106 176.300 174.940 1.360 1
1 1355 . 12 1 1 A 109 109 LEU CA C 106 52.800 53.459 -0.659 1
1 1356 . 12 1 1 A 109 109 LEU CB C 106 48.900 44.324 4.576 1
1 1360 . 12 1 1 A 109 109 LEU N N 106 118.900 123.736 -4.836 1
1 1361 . 12 1 1 A 110 110 ARG H H 107 8.310 9.197 -0.887 1
1 1362 . 12 1 1 A 110 110 ARG HA H 107 4.230 4.723 -0.493 1
1 1370 . 12 1 1 A 110 110 ARG C C 107 174.800 175.040 -0.240 1
1 1371 . 12 1 1 A 110 110 ARG CA C 107 55.700 53.713 1.987 1
1 1372 . 12 1 1 A 110 110 ARG CB C 107 31.900 32.274 -0.374 1
1 1375 . 12 1 1 A 110 110 ARG N N 107 119.900 125.356 -5.456 1
1 1377 . 12 1 1 A 111 111 GLY H H 108 8.390 8.547 -0.157 1
1 1378 . 12 1 1 A 111 111 GLY HA2 H 108 3.880 4.323 -0.443 1
1 1379 . 12 1 1 A 111 111 GLY HA3 H 108 4.130 4.399 -0.269 1
1 1380 . 12 1 1 A 111 111 GLY C C 108 173.500 174.647 -1.147 1
1 1381 . 12 1 1 A 111 111 GLY CA C 108 45.000 44.673 0.327 1
1 1382 . 12 1 1 A 111 111 GLY N N 108 110.000 112.873 -2.873 1
1 1383 . 12 1 1 A 112 112 GLY H H 109 8.280 8.577 -0.297 1
1 1384 . 12 1 1 A 112 112 GLY HA2 H 109 3.850 3.880 -0.030 1
1 1385 . 12 1 1 A 112 112 GLY HA3 H 109 3.950 3.888 0.062 1
1 1386 . 12 1 1 A 112 112 GLY C C 109 173.200 173.954 -0.754 1
1 1387 . 12 1 1 A 112 112 GLY CA C 109 45.100 47.206 -2.106 1
1 1388 . 12 1 1 A 112 112 GLY N N 109 108.400 108.826 -0.426 1
1 10 . 13 1 1 A 5 5 SER H H 2 8.360 8.519 -0.159 1
1 11 . 13 1 1 A 5 5 SER HA H 2 4.400 4.501 -0.101 1
1 14 . 13 1 1 A 5 5 SER C C 2 174.100 174.513 -0.413 1
1 15 . 13 1 1 A 5 5 SER CA C 2 58.200 57.561 0.639 1
1 16 . 13 1 1 A 5 5 SER CB C 2 63.700 62.811 0.889 1
1 17 . 13 1 1 A 5 5 SER N N 2 117.000 115.219 1.781 1
1 18 . 13 1 1 A 6 6 GLN H H 3 8.280 7.428 0.852 1
1 19 . 13 1 1 A 6 6 GLN HA H 3 4.320 4.454 -0.134 1
1 26 . 13 1 1 A 6 6 GLN C C 3 175.500 174.878 0.622 1
1 27 . 13 1 1 A 6 6 GLN CA C 3 55.400 55.780 -0.380 1
1 28 . 13 1 1 A 6 6 GLN CB C 3 30.100 28.959 1.141 1
1 31 . 13 1 1 A 6 6 GLN N N 3 121.800 121.371 0.429 1
1 33 . 13 1 1 A 7 7 TRP H H 4 8.170 8.443 -0.273 1
1 34 . 13 1 1 A 7 7 TRP HA H 4 4.470 4.950 -0.480 1
1 43 . 13 1 1 A 7 7 TRP C C 4 176.200 175.544 0.656 1
1 44 . 13 1 1 A 7 7 TRP CA C 4 57.600 57.489 0.111 1
1 45 . 13 1 1 A 7 7 TRP CB C 4 30.300 28.946 1.354 1
1 51 . 13 1 1 A 7 7 TRP N N 4 122.300 127.154 -4.854 1
1 53 . 13 1 1 A 8 8 LYS H H 5 9.370 8.844 0.526 1
1 54 . 13 1 1 A 8 8 LYS HA H 5 4.690 4.770 -0.080 1
1 63 . 13 1 1 A 8 8 LYS C C 5 175.600 175.431 0.169 1
1 64 . 13 1 1 A 8 8 LYS CA C 5 54.200 55.352 -1.152 1
1 65 . 13 1 1 A 8 8 LYS CB C 5 34.700 33.965 0.735 1
1 69 . 13 1 1 A 8 8 LYS N N 5 125.100 126.319 -1.219 1
1 70 . 13 1 1 A 9 9 ASP H H 6 8.730 8.901 -0.171 1
1 71 . 13 1 1 A 9 9 ASP HA H 6 4.500 4.634 -0.134 1
1 74 . 13 1 1 A 9 9 ASP C C 6 176.200 175.648 0.552 1
1 75 . 13 1 1 A 9 9 ASP CA C 6 55.400 54.585 0.815 1
1 76 . 13 1 1 A 9 9 ASP CB C 6 40.700 40.167 0.533 1
1 77 . 13 1 1 A 9 9 ASP N N 6 125.400 126.859 -1.459 1
1 78 . 13 1 1 A 10 10 ILE H H 7 9.300 9.289 0.011 1
1 79 . 13 1 1 A 10 10 ILE HA H 7 4.300 4.017 0.283 1
1 89 . 13 1 1 A 10 10 ILE C C 7 175.500 175.759 -0.259 1
1 90 . 13 1 1 A 10 10 ILE CA C 7 60.000 63.508 -3.508 1
1 91 . 13 1 1 A 10 10 ILE CB C 7 37.700 38.377 -0.677 1
1 95 . 13 1 1 A 10 10 ILE N N 7 122.900 126.368 -3.468 1
1 96 . 13 1 1 A 11 11 CYS H H 8 7.510 7.641 -0.131 1
1 97 . 13 1 1 A 11 11 CYS HA H 8 4.880 4.639 0.241 1
1 100 . 13 1 1 A 11 11 CYS C C 8 172.300 173.095 -0.795 1
1 101 . 13 1 1 A 11 11 CYS CA C 8 55.700 58.116 -2.416 1
1 102 . 13 1 1 A 11 11 CYS CB C 8 28.800 31.602 -2.802 1
1 103 . 13 1 1 A 11 11 CYS N N 8 111.400 115.486 -4.086 1
1 104 . 13 1 1 A 12 12 LYS H H 9 8.920 8.665 0.255 1
1 105 . 13 1 1 A 12 12 LYS HA H 9 4.880 4.597 0.283 1
1 114 . 13 1 1 A 12 12 LYS C C 9 179.400 177.981 1.419 1
1 115 . 13 1 1 A 12 12 LYS CA C 9 55.700 55.915 -0.215 1
1 116 . 13 1 1 A 12 12 LYS CB C 9 32.100 33.159 -1.059 1
1 120 . 13 1 1 A 12 12 LYS N N 9 120.100 121.890 -1.790 1
1 121 . 13 1 1 A 13 13 ILE H H 10 8.640 9.418 -0.778 1
1 122 . 13 1 1 A 13 13 ILE HA H 10 3.990 3.973 0.017 1
1 132 . 13 1 1 A 13 13 ILE C C 10 174.900 176.801 -1.901 1
1 133 . 13 1 1 A 13 13 ILE CA C 10 61.000 63.308 -2.308 1
1 134 . 13 1 1 A 13 13 ILE CB C 10 37.800 38.028 -0.228 1
1 138 . 13 1 1 A 13 13 ILE N N 10 123.700 125.649 -1.949 1
1 139 . 13 1 1 A 14 14 ASP H H 11 7.600 8.047 -0.447 1
1 140 . 13 1 1 A 14 14 ASP HA H 11 4.350 4.391 -0.041 1
1 143 . 13 1 1 A 14 14 ASP C C 11 176.500 177.710 -1.210 1
1 144 . 13 1 1 A 14 14 ASP CA C 11 55.400 56.681 -1.281 1
1 145 . 13 1 1 A 14 14 ASP CB C 11 40.400 40.890 -0.490 1
1 146 . 13 1 1 A 14 14 ASP N N 11 115.800 121.637 -5.837 1
1 147 . 13 1 1 A 15 15 ASP H H 12 7.600 8.056 -0.456 1
1 148 . 13 1 1 A 15 15 ASP HA H 12 4.490 4.498 -0.008 1
1 151 . 13 1 1 A 15 15 ASP C C 12 175.600 175.903 -0.303 1
1 152 . 13 1 1 A 15 15 ASP CA C 12 55.500 56.151 -0.651 1
1 153 . 13 1 1 A 15 15 ASP CB C 12 40.900 41.388 -0.488 1
1 154 . 13 1 1 A 15 15 ASP N N 12 116.800 117.782 -0.982 1
1 155 . 13 1 1 A 16 16 ILE H H 13 7.700 7.571 0.129 1
1 156 . 13 1 1 A 16 16 ILE HA H 13 4.000 4.199 -0.199 1
1 166 . 13 1 1 A 16 16 ILE C C 13 174.100 174.882 -0.782 1
1 167 . 13 1 1 A 16 16 ILE CA C 13 60.500 60.632 -0.132 1
1 168 . 13 1 1 A 16 16 ILE CB C 13 38.200 36.857 1.343 1
1 172 . 13 1 1 A 16 16 ILE N N 13 120.900 120.321 0.579 1
1 173 . 13 1 1 A 17 17 LEU H H 14 7.970 8.645 -0.675 1
1 174 . 13 1 1 A 17 17 LEU HA H 14 4.370 4.553 -0.183 1
1 184 . 13 1 1 A 17 17 LEU CA C 14 53.800 53.330 0.470 1
1 185 . 13 1 1 A 17 17 LEU CB C 14 40.500 40.596 -0.096 1
1 189 . 13 1 1 A 17 17 LEU N N 14 127.800 129.536 -1.736 1
1 190 . 13 1 1 A 18 18 PRO HA H 15 4.080 4.228 -0.148 1
1 197 . 13 1 1 A 18 18 PRO C C 15 175.700 176.625 -0.925 1
1 198 . 13 1 1 A 18 18 PRO CA C 15 64.300 63.588 0.712 1
1 199 . 13 1 1 A 18 18 PRO CB C 15 31.600 31.743 -0.143 1
1 202 . 13 1 1 A 19 19 GLU H H 16 8.930 8.480 0.450 1
1 203 . 13 1 1 A 19 19 GLU HA H 16 3.660 3.824 -0.164 1
1 208 . 13 1 1 A 19 19 GLU C C 16 175.500 174.976 0.524 1
1 209 . 13 1 1 A 19 19 GLU CA C 16 58.300 57.496 0.804 1
1 210 . 13 1 1 A 19 19 GLU CB C 16 27.300 28.351 -1.051 1
1 212 . 13 1 1 A 19 19 GLU N N 16 113.700 116.370 -2.670 1
1 213 . 13 1 1 A 20 20 THR H H 17 7.790 7.392 0.398 1
1 214 . 13 1 1 A 20 20 THR HA H 17 5.080 4.747 0.333 1
1 220 . 13 1 1 A 20 20 THR C C 17 172.100 173.217 -1.117 1
1 221 . 13 1 1 A 20 20 THR CA C 17 60.700 60.407 0.293 1
1 222 . 13 1 1 A 20 20 THR CB C 17 73.100 71.016 2.084 1
1 224 . 13 1 1 A 20 20 THR N N 17 110.000 113.952 -3.952 1
1 225 . 13 1 1 A 21 21 GLY H H 18 8.080 9.118 -1.038 1
1 226 . 13 1 1 A 21 21 GLY HA2 H 18 3.070 3.515 -0.445 1
1 227 . 13 1 1 A 21 21 GLY HA3 H 18 5.270 3.985 1.285 1
1 228 . 13 1 1 A 21 21 GLY C C 18 173.400 172.557 0.843 1
1 229 . 13 1 1 A 21 21 GLY CA C 18 44.600 44.291 0.309 1
1 230 . 13 1 1 A 21 21 GLY N N 18 103.700 114.791 -11.091 1
1 231 . 13 1 1 A 22 22 VAL H H 19 8.520 9.056 -0.536 1
1 232 . 13 1 1 A 22 22 VAL HA H 19 4.570 4.929 -0.359 1
1 240 . 13 1 1 A 22 22 VAL C C 19 172.900 174.294 -1.394 1
1 241 . 13 1 1 A 22 22 VAL CA C 19 58.900 59.011 -0.111 1
1 242 . 13 1 1 A 22 22 VAL CB C 19 35.900 34.865 1.035 1
1 245 . 13 1 1 A 22 22 VAL N N 19 112.900 119.090 -6.190 1
1 246 . 13 1 1 A 23 23 CYS H H 20 8.290 8.729 -0.439 1
1 247 . 13 1 1 A 23 23 CYS HA H 20 5.250 5.315 -0.065 1
1 250 . 13 1 1 A 23 23 CYS C C 20 173.500 172.707 0.793 1
1 251 . 13 1 1 A 23 23 CYS CA C 20 56.300 57.010 -0.710 1
1 252 . 13 1 1 A 23 23 CYS CB C 20 27.600 28.864 -1.264 1
1 253 . 13 1 1 A 23 23 CYS N N 20 120.700 119.997 0.703 1
1 254 . 13 1 1 A 24 24 ALA H H 21 9.590 9.416 0.174 1
1 255 . 13 1 1 A 24 24 ALA HA H 21 4.580 4.918 -0.338 1
1 259 . 13 1 1 A 24 24 ALA C C 21 174.400 175.963 -1.563 1
1 260 . 13 1 1 A 24 24 ALA CA C 21 50.200 50.286 -0.086 1
1 261 . 13 1 1 A 24 24 ALA CB C 21 23.400 20.524 2.876 1
1 262 . 13 1 1 A 24 24 ALA N N 21 132.500 129.187 3.313 1
1 263 . 13 1 1 A 25 25 LEU H H 22 8.100 8.984 -0.884 1
1 264 . 13 1 1 A 25 25 LEU HA H 22 4.860 4.598 0.262 1
1 274 . 13 1 1 A 25 25 LEU C C 22 175.800 174.938 0.862 1
1 275 . 13 1 1 A 25 25 LEU CA C 22 53.800 54.287 -0.487 1
1 276 . 13 1 1 A 25 25 LEU CB C 22 43.600 41.133 2.467 1
1 280 . 13 1 1 A 25 25 LEU N N 22 120.700 124.116 -3.416 1
1 281 . 13 1 1 A 26 26 LEU H H 23 8.660 8.490 0.170 1
1 282 . 13 1 1 A 26 26 LEU HA H 23 4.410 4.649 -0.239 1
1 292 . 13 1 1 A 26 26 LEU C C 23 176.600 176.774 -0.174 1
1 293 . 13 1 1 A 26 26 LEU CA C 23 53.100 53.384 -0.284 1
1 294 . 13 1 1 A 26 26 LEU CB C 23 43.400 43.225 0.175 1
1 298 . 13 1 1 A 26 26 LEU N N 23 125.800 126.591 -0.791 1
1 299 . 13 1 1 A 27 27 GLY H H 24 8.910 8.900 0.010 1
1 300 . 13 1 1 A 27 27 GLY HA2 H 24 3.560 3.841 -0.281 1
1 301 . 13 1 1 A 27 27 GLY HA3 H 24 4.000 3.843 0.157 1
1 302 . 13 1 1 A 27 27 GLY C C 24 173.800 174.384 -0.584 1
1 303 . 13 1 1 A 27 27 GLY CA C 24 47.300 47.328 -0.028 1
1 304 . 13 1 1 A 27 27 GLY N N 24 118.300 116.268 2.032 1
1 305 . 13 1 1 A 28 28 ASP H H 25 8.800 8.640 0.160 1
1 306 . 13 1 1 A 28 28 ASP HA H 25 4.690 4.760 -0.070 1
1 309 . 13 1 1 A 28 28 ASP C C 25 176.100 175.818 0.282 1
1 310 . 13 1 1 A 28 28 ASP CA C 25 53.900 53.368 0.532 1
1 311 . 13 1 1 A 28 28 ASP CB C 25 41.300 41.630 -0.330 1
1 312 . 13 1 1 A 28 28 ASP N N 25 126.600 125.574 1.026 1
1 313 . 13 1 1 A 29 29 GLU H H 26 8.100 7.597 0.503 1
1 314 . 13 1 1 A 29 29 GLU HA H 26 4.440 4.511 -0.071 1
1 319 . 13 1 1 A 29 29 GLU C C 26 174.800 175.458 -0.658 1
1 320 . 13 1 1 A 29 29 GLU CA C 26 55.800 56.029 -0.229 1
1 321 . 13 1 1 A 29 29 GLU CB C 26 30.600 30.847 -0.247 1
1 323 . 13 1 1 A 29 29 GLU N N 26 120.400 119.891 0.509 1
1 324 . 13 1 1 A 30 30 GLN H H 27 8.640 8.626 0.014 1
1 325 . 13 1 1 A 30 30 GLN HA H 27 4.510 4.628 -0.118 1
1 332 . 13 1 1 A 30 30 GLN C C 27 175.800 174.960 0.840 1
1 333 . 13 1 1 A 30 30 GLN CA C 27 55.700 55.791 -0.091 1
1 334 . 13 1 1 A 30 30 GLN CB C 27 29.300 29.438 -0.138 1
1 336 . 13 1 1 A 30 30 GLN N N 27 121.300 123.506 -2.206 1
1 338 . 13 1 1 A 31 31 VAL H H 28 9.280 9.068 0.212 1
1 339 . 13 1 1 A 31 31 VAL HA H 28 4.040 4.382 -0.342 1
1 347 . 13 1 1 A 31 31 VAL C C 28 172.900 174.774 -1.874 1
1 348 . 13 1 1 A 31 31 VAL CA C 28 61.900 61.210 0.690 1
1 349 . 13 1 1 A 31 31 VAL CB C 28 34.800 33.007 1.793 1
1 352 . 13 1 1 A 31 31 VAL N N 28 128.600 126.170 2.430 1
1 353 . 13 1 1 A 32 32 ALA H H 29 9.440 9.396 0.044 1
1 354 . 13 1 1 A 32 32 ALA HA H 29 4.680 4.800 -0.120 1
1 358 . 13 1 1 A 32 32 ALA C C 29 175.200 175.629 -0.429 1
1 359 . 13 1 1 A 32 32 ALA CA C 29 50.500 50.473 0.027 1
1 360 . 13 1 1 A 32 32 ALA CB C 29 20.200 20.343 -0.143 1
1 361 . 13 1 1 A 32 32 ALA N N 29 130.400 128.949 1.451 1
1 362 . 13 1 1 A 33 33 ILE H H 30 8.590 8.915 -0.325 1
1 363 . 13 1 1 A 33 33 ILE HA H 30 4.680 4.569 0.111 1
1 373 . 13 1 1 A 33 33 ILE C C 30 174.800 174.837 -0.037 1
1 374 . 13 1 1 A 33 33 ILE CA C 30 59.900 59.895 0.005 1
1 375 . 13 1 1 A 33 33 ILE CB C 30 39.300 38.125 1.175 1
1 379 . 13 1 1 A 33 33 ILE N N 30 120.600 124.045 -3.445 1
1 380 . 13 1 1 A 34 34 PHE H H 31 9.430 9.601 -0.171 1
1 381 . 13 1 1 A 34 34 PHE HA H 31 5.070 5.005 0.065 1
1 386 . 13 1 1 A 34 34 PHE C C 31 174.800 174.746 0.054 1
1 387 . 13 1 1 A 34 34 PHE CA C 31 57.200 57.260 -0.060 1
1 388 . 13 1 1 A 34 34 PHE CB C 31 43.400 40.816 2.584 1
1 391 . 13 1 1 A 34 34 PHE N N 31 121.800 126.779 -4.979 1
1 392 . 13 1 1 A 35 35 ARG H H 32 8.450 8.996 -0.546 1
1 393 . 13 1 1 A 35 35 ARG HA H 32 5.470 4.755 0.715 1
1 403 . 13 1 1 A 35 35 ARG CA C 32 52.000 52.531 -0.531 1
1 404 . 13 1 1 A 35 35 ARG CB C 32 33.200 31.306 1.894 1
1 407 . 13 1 1 A 35 35 ARG N N 32 123.000 124.555 -1.555 1
1 410 . 13 1 1 A 36 36 PRO HA H 33 3.910 4.566 -0.656 1
1 417 . 13 1 1 A 36 36 PRO C C 33 174.300 175.385 -1.085 1
1 418 . 13 1 1 A 36 36 PRO CA C 33 64.600 63.569 1.031 1
1 419 . 13 1 1 A 36 36 PRO CB C 33 32.800 32.582 0.218 1
1 422 . 13 1 1 A 37 37 TYR H H 34 9.000 7.757 1.243 1
1 423 . 13 1 1 A 37 37 TYR HA H 34 5.250 5.052 0.198 1
1 430 . 13 1 1 A 37 37 TYR C C 34 175.000 176.016 -1.016 1
1 431 . 13 1 1 A 37 37 TYR CA C 34 54.200 56.651 -2.451 1
1 432 . 13 1 1 A 37 37 TYR CB C 34 41.000 42.469 -1.469 1
1 437 . 13 1 1 A 37 37 TYR N N 34 115.500 118.970 -3.470 1
1 438 . 13 1 1 A 38 38 HIS H H 35 8.700 9.210 -0.510 1
1 439 . 13 1 1 A 38 38 HIS HA H 35 4.490 4.670 -0.180 1
1 444 . 13 1 1 A 38 38 HIS C C 35 175.800 175.437 0.363 1
1 445 . 13 1 1 A 38 38 HIS CA C 35 56.400 57.990 -1.590 1
1 446 . 13 1 1 A 38 38 HIS CB C 35 28.600 30.071 -1.471 1
1 449 . 13 1 1 A 38 38 HIS N N 35 119.000 120.577 -1.577 1
1 450 . 13 1 1 A 39 39 SER H H 36 7.890 7.936 -0.046 1
1 451 . 13 1 1 A 39 39 SER HA H 36 4.770 4.526 0.244 1
1 454 . 13 1 1 A 39 39 SER C C 36 173.800 175.202 -1.402 1
1 455 . 13 1 1 A 39 39 SER CA C 36 57.000 56.887 0.113 1
1 456 . 13 1 1 A 39 39 SER CB C 36 64.700 64.920 -0.220 1
1 457 . 13 1 1 A 39 39 SER N N 36 115.500 112.508 2.992 1
1 458 . 13 1 1 A 40 40 ASP H H 37 8.540 8.533 0.007 1
1 459 . 13 1 1 A 40 40 ASP HA H 37 4.540 4.773 -0.233 1
1 462 . 13 1 1 A 40 40 ASP C C 37 174.700 176.132 -1.432 1
1 463 . 13 1 1 A 40 40 ASP CA C 37 53.800 53.295 0.505 1
1 464 . 13 1 1 A 40 40 ASP CB C 37 39.600 40.096 -0.496 1
1 465 . 13 1 1 A 40 40 ASP N N 37 119.400 118.535 0.865 1
1 466 . 13 1 1 A 41 41 GLN H H 38 7.490 7.669 -0.179 1
1 467 . 13 1 1 A 41 41 GLN HA H 38 4.140 4.347 -0.207 1
1 474 . 13 1 1 A 41 41 GLN C C 38 175.500 175.617 -0.117 1
1 475 . 13 1 1 A 41 41 GLN CA C 38 57.100 55.793 1.307 1
1 476 . 13 1 1 A 41 41 GLN CB C 38 29.400 29.702 -0.302 1
1 479 . 13 1 1 A 41 41 GLN N N 38 118.700 119.441 -0.741 1
1 481 . 13 1 1 A 42 42 VAL H H 39 7.800 8.689 -0.889 1
1 482 . 13 1 1 A 42 42 VAL HA H 39 5.600 5.003 0.597 1
1 490 . 13 1 1 A 42 42 VAL C C 39 174.200 174.193 0.007 1
1 491 . 13 1 1 A 42 42 VAL CA C 39 58.200 59.546 -1.346 1
1 492 . 13 1 1 A 42 42 VAL CB C 39 36.500 34.559 1.941 1
1 495 . 13 1 1 A 42 42 VAL N N 39 116.100 118.533 -2.433 1
1 496 . 13 1 1 A 43 43 PHE H H 40 8.480 9.526 -1.046 1
1 497 . 13 1 1 A 43 43 PHE HA H 40 4.870 5.207 -0.337 1
1 504 . 13 1 1 A 43 43 PHE C C 40 173.900 174.441 -0.541 1
1 505 . 13 1 1 A 43 43 PHE CA C 40 56.800 56.342 0.458 1
1 506 . 13 1 1 A 43 43 PHE CB C 40 45.300 42.050 3.250 1
1 511 . 13 1 1 A 43 43 PHE N N 40 117.200 122.752 -5.552 1
1 512 . 13 1 1 A 44 44 ALA H H 41 9.520 8.958 0.562 1
1 513 . 13 1 1 A 44 44 ALA HA H 41 6.200 5.884 0.316 1
1 517 . 13 1 1 A 44 44 ALA C C 41 176.300 176.639 -0.339 1
1 518 . 13 1 1 A 44 44 ALA CA C 41 50.900 50.292 0.608 1
1 519 . 13 1 1 A 44 44 ALA CB C 41 24.100 21.051 3.049 1
1 520 . 13 1 1 A 44 44 ALA N N 41 125.100 126.063 -0.963 1
1 521 . 13 1 1 A 45 45 ILE H H 42 8.970 9.249 -0.279 1
1 522 . 13 1 1 A 45 45 ILE HA H 42 5.580 5.077 0.503 1
1 532 . 13 1 1 A 45 45 ILE C C 42 174.600 175.156 -0.556 1
1 533 . 13 1 1 A 45 45 ILE CA C 42 59.300 58.885 0.415 1
1 534 . 13 1 1 A 45 45 ILE CB C 42 44.300 41.848 2.452 1
1 538 . 13 1 1 A 45 45 ILE N N 42 117.100 118.214 -1.114 1
1 539 . 13 1 1 A 46 46 SER H H 43 8.460 8.726 -0.266 1
1 540 . 13 1 1 A 46 46 SER HA H 43 4.350 4.570 -0.220 1
1 543 . 13 1 1 A 46 46 SER C C 43 172.100 174.469 -2.369 1
1 544 . 13 1 1 A 46 46 SER CA C 43 59.500 59.489 0.011 1
1 545 . 13 1 1 A 46 46 SER CB C 43 64.900 63.321 1.579 1
1 546 . 13 1 1 A 46 46 SER N N 43 112.400 118.764 -6.364 1
1 547 . 13 1 1 A 47 47 ASN H H 44 7.990 9.013 -1.023 1
1 548 . 13 1 1 A 47 47 ASN HA H 44 4.940 4.575 0.365 1
1 553 . 13 1 1 A 47 47 ASN C C 44 175.800 175.106 0.694 1
1 554 . 13 1 1 A 47 47 ASN CA C 44 53.800 54.716 -0.916 1
1 555 . 13 1 1 A 47 47 ASN CB C 44 40.600 39.381 1.219 1
1 556 . 13 1 1 A 47 47 ASN N N 44 117.800 123.070 -5.270 1
1 558 . 13 1 1 A 48 48 ILE H H 45 8.190 7.958 0.232 1
1 559 . 13 1 1 A 48 48 ILE HA H 45 4.100 4.405 -0.305 1
1 569 . 13 1 1 A 48 48 ILE C C 45 175.200 175.397 -0.197 1
1 570 . 13 1 1 A 48 48 ILE CA C 45 59.400 60.307 -0.907 1
1 571 . 13 1 1 A 48 48 ILE CB C 45 36.500 39.186 -2.686 1
1 575 . 13 1 1 A 48 48 ILE N N 45 118.300 119.799 -1.499 1
1 576 . 13 1 1 A 49 49 ASP H H 46 8.720 8.620 0.100 1
1 577 . 13 1 1 A 49 49 ASP HA H 46 4.530 4.907 -0.377 1
1 580 . 13 1 1 A 49 49 ASP CA C 46 51.400 52.231 -0.831 1
1 581 . 13 1 1 A 49 49 ASP CB C 46 42.900 42.205 0.695 1
1 582 . 13 1 1 A 49 49 ASP N N 46 128.600 128.043 0.557 1
1 583 . 13 1 1 A 50 50 PRO HA H 47 4.500 4.599 -0.099 1
1 590 . 13 1 1 A 50 50 PRO C C 47 177.800 178.142 -0.342 1
1 591 . 13 1 1 A 50 50 PRO CA C 47 63.700 65.156 -1.456 1
1 592 . 13 1 1 A 50 50 PRO CB C 47 32.200 32.221 -0.021 1
1 595 . 13 1 1 A 51 51 PHE H H 48 9.270 8.039 1.231 1
1 596 . 13 1 1 A 51 51 PHE HA H 48 3.980 4.217 -0.237 1
1 601 . 13 1 1 A 51 51 PHE C C 48 177.100 178.080 -0.980 1
1 602 . 13 1 1 A 51 51 PHE CA C 48 61.400 61.768 -0.368 1
1 603 . 13 1 1 A 51 51 PHE CB C 48 37.900 39.645 -1.745 1
1 606 . 13 1 1 A 51 51 PHE N N 48 121.800 118.743 3.057 1
1 607 . 13 1 1 A 52 52 PHE H H 49 7.440 8.799 -1.359 1
1 608 . 13 1 1 A 52 52 PHE HA H 49 4.560 4.401 0.159 1
1 616 . 13 1 1 A 52 52 PHE C C 49 176.100 175.596 0.504 1
1 617 . 13 1 1 A 52 52 PHE CA C 49 58.300 60.208 -1.908 1
1 618 . 13 1 1 A 52 52 PHE CB C 49 42.000 40.342 1.658 1
1 624 . 13 1 1 A 52 52 PHE N N 49 114.500 119.816 -5.316 1
1 625 . 13 1 1 A 53 53 GLU H H 50 8.590 8.629 -0.039 1
1 626 . 13 1 1 A 53 53 GLU HA H 50 3.780 5.060 -1.280 1
1 631 . 13 1 1 A 53 53 GLU C C 50 175.000 175.231 -0.231 1
1 632 . 13 1 1 A 53 53 GLU CA C 50 57.300 57.287 0.013 1
1 633 . 13 1 1 A 53 53 GLU CB C 50 27.100 28.353 -1.253 1
1 635 . 13 1 1 A 53 53 GLU N N 50 120.300 119.089 1.211 1
1 636 . 13 1 1 A 54 54 SER H H 51 7.100 9.075 -1.975 1
1 637 . 13 1 1 A 54 54 SER HA H 51 4.910 5.184 -0.274 1
1 640 . 13 1 1 A 54 54 SER CA C 51 56.500 57.671 -1.171 1
1 641 . 13 1 1 A 54 54 SER CB C 51 66.100 67.508 -1.408 1
1 642 . 13 1 1 A 54 54 SER N N 51 110.300 123.393 -13.093 1
1 643 . 13 1 1 A 55 55 SER HA H 52 4.550 4.684 -0.134 1
1 646 . 13 1 1 A 55 55 SER C C 52 173.500 173.709 -0.209 1
1 647 . 13 1 1 A 55 55 SER CA C 52 56.700 57.810 -1.110 1
1 648 . 13 1 1 A 55 55 SER CB C 52 62.100 64.786 -2.686 1
1 649 . 13 1 1 A 56 56 VAL H H 53 7.590 8.285 -0.695 1
1 650 . 13 1 1 A 56 56 VAL HA H 53 4.900 4.578 0.322 1
1 658 . 13 1 1 A 56 56 VAL C C 53 176.800 176.353 0.447 1
1 659 . 13 1 1 A 56 56 VAL CA C 53 61.300 62.150 -0.850 1
1 660 . 13 1 1 A 56 56 VAL CB C 53 36.200 32.544 3.656 1
1 663 . 13 1 1 A 56 56 VAL N N 53 117.400 119.719 -2.319 1
1 664 . 13 1 1 A 57 57 LEU H H 54 8.690 8.603 0.087 1
1 665 . 13 1 1 A 57 57 LEU HA H 54 3.930 4.362 -0.432 1
1 675 . 13 1 1 A 57 57 LEU C C 54 179.500 178.520 0.980 1
1 676 . 13 1 1 A 57 57 LEU CA C 54 60.000 55.779 4.221 1
1 677 . 13 1 1 A 57 57 LEU CB C 54 40.800 41.827 -1.027 1
1 681 . 13 1 1 A 57 57 LEU N N 54 121.100 124.693 -3.593 1
1 682 . 13 1 1 A 58 58 SER H H 55 9.750 7.904 1.846 1
1 683 . 13 1 1 A 58 58 SER HA H 55 3.800 4.111 -0.311 1
1 686 . 13 1 1 A 58 58 SER C C 55 174.100 175.391 -1.291 1
1 687 . 13 1 1 A 58 58 SER CA C 55 61.600 61.016 0.584 1
1 688 . 13 1 1 A 58 58 SER CB C 55 61.900 62.667 -0.767 1
1 689 . 13 1 1 A 58 58 SER N N 55 113.400 114.848 -1.448 1
1 690 . 13 1 1 A 59 59 ARG H H 56 7.510 7.548 -0.038 1
1 691 . 13 1 1 A 59 59 ARG HA H 56 4.560 4.519 0.041 1
1 698 . 13 1 1 A 59 59 ARG C C 56 177.500 175.190 2.310 1
1 699 . 13 1 1 A 59 59 ARG CA C 56 55.400 55.061 0.339 1
1 700 . 13 1 1 A 59 59 ARG CB C 56 30.400 30.519 -0.119 1
1 703 . 13 1 1 A 59 59 ARG N N 56 118.400 119.943 -1.543 1
1 704 . 13 1 1 A 60 60 GLY H H 57 8.550 7.505 1.045 1
1 705 . 13 1 1 A 60 60 GLY HA2 H 57 4.020 4.314 -0.294 1
1 706 . 13 1 1 A 60 60 GLY HA3 H 57 4.020 4.343 -0.323 1
1 707 . 13 1 1 A 60 60 GLY C C 57 171.200 172.329 -1.129 1
1 708 . 13 1 1 A 60 60 GLY CA C 57 45.400 44.346 1.054 1
1 709 . 13 1 1 A 60 60 GLY N N 57 108.600 109.269 -0.669 1
1 710 . 13 1 1 A 61 61 LEU H H 58 7.740 8.600 -0.860 1
1 711 . 13 1 1 A 61 61 LEU HA H 58 4.640 4.930 -0.290 1
1 721 . 13 1 1 A 61 61 LEU C C 58 177.000 176.069 0.931 1
1 722 . 13 1 1 A 61 61 LEU CA C 58 54.200 53.906 0.294 1
1 723 . 13 1 1 A 61 61 LEU CB C 58 43.700 43.853 -0.153 1
1 727 . 13 1 1 A 61 61 LEU N N 58 119.100 121.781 -2.681 1
1 728 . 13 1 1 A 62 62 ILE H H 59 8.780 8.726 0.054 1
1 729 . 13 1 1 A 62 62 ILE HA H 59 4.660 4.734 -0.074 1
1 739 . 13 1 1 A 62 62 ILE C C 59 175.500 175.010 0.490 1
1 740 . 13 1 1 A 62 62 ILE CA C 59 60.600 60.537 0.063 1
1 741 . 13 1 1 A 62 62 ILE CB C 59 38.700 38.853 -0.153 1
1 745 . 13 1 1 A 62 62 ILE N N 59 126.500 123.127 3.373 1
1 746 . 13 1 1 A 63 63 ALA H H 60 9.110 9.392 -0.282 1
1 747 . 13 1 1 A 63 63 ALA HA H 60 4.590 5.127 -0.537 1
1 751 . 13 1 1 A 63 63 ALA C C 60 175.000 174.826 0.174 1
1 752 . 13 1 1 A 63 63 ALA CA C 60 51.300 50.274 1.026 1
1 753 . 13 1 1 A 63 63 ALA CB C 60 23.100 22.865 0.235 1
1 754 . 13 1 1 A 63 63 ALA N N 60 129.300 130.118 -0.818 1
1 755 . 13 1 1 A 64 64 GLU H H 61 8.460 8.800 -0.340 1
1 756 . 13 1 1 A 64 64 GLU HA H 61 5.070 5.074 -0.004 1
1 761 . 13 1 1 A 64 64 GLU C C 61 176.000 176.558 -0.558 1
1 762 . 13 1 1 A 64 64 GLU CA C 61 55.100 54.762 0.338 1
1 763 . 13 1 1 A 64 64 GLU CB C 61 31.200 33.008 -1.808 1
1 765 . 13 1 1 A 64 64 GLU N N 61 121.500 119.673 1.827 1
1 766 . 13 1 1 A 65 65 HIS H H 62 9.310 9.276 0.034 1
1 767 . 13 1 1 A 65 65 HIS HA H 62 4.740 4.130 0.610 1
1 772 . 13 1 1 A 65 65 HIS CA C 62 56.400 58.428 -2.028 1
1 773 . 13 1 1 A 65 65 HIS CB C 62 32.600 30.912 1.688 1
1 776 . 13 1 1 A 65 65 HIS N N 62 123.500 125.495 -1.995 1
1 777 . 13 1 1 A 66 66 GLN HA H 63 3.870 4.405 -0.535 1
1 784 . 13 1 1 A 66 66 GLN C C 63 176.000 175.737 0.263 1
1 785 . 13 1 1 A 66 66 GLN CA C 63 56.600 55.212 1.388 1
1 786 . 13 1 1 A 66 66 GLN CB C 63 26.800 29.302 -2.502 1
1 790 . 13 1 1 A 67 67 GLY H H 64 8.970 9.175 -0.205 1
1 791 . 13 1 1 A 67 67 GLY HA2 H 64 3.680 4.055 -0.375 1
1 792 . 13 1 1 A 67 67 GLY HA3 H 64 4.140 4.060 0.080 1
1 793 . 13 1 1 A 67 67 GLY C C 64 173.800 174.711 -0.911 1
1 794 . 13 1 1 A 67 67 GLY CA C 64 45.600 45.255 0.345 1
1 795 . 13 1 1 A 67 67 GLY N N 64 104.200 114.280 -10.080 1
1 796 . 13 1 1 A 68 68 GLU H H 65 7.850 8.101 -0.251 1
1 797 . 13 1 1 A 68 68 GLU HA H 65 4.810 4.708 0.102 1
1 802 . 13 1 1 A 68 68 GLU C C 65 174.400 176.111 -1.711 1
1 803 . 13 1 1 A 68 68 GLU CA C 65 54.100 55.385 -1.285 1
1 804 . 13 1 1 A 68 68 GLU CB C 65 34.000 31.376 2.624 1
1 806 . 13 1 1 A 68 68 GLU N N 65 118.800 121.093 -2.293 1
1 807 . 13 1 1 A 69 69 LEU H H 66 8.030 8.578 -0.548 1
1 808 . 13 1 1 A 69 69 LEU HA H 66 4.920 5.265 -0.345 1
1 818 . 13 1 1 A 69 69 LEU C C 66 177.100 176.419 0.681 1
1 819 . 13 1 1 A 69 69 LEU CA C 66 54.300 54.022 0.278 1
1 820 . 13 1 1 A 69 69 LEU CB C 66 44.500 43.475 1.025 1
1 824 . 13 1 1 A 69 69 LEU N N 66 119.000 123.125 -4.125 1
1 825 . 13 1 1 A 70 70 TRP H H 67 8.980 9.540 -0.560 1
1 826 . 13 1 1 A 70 70 TRP HA H 67 5.140 5.188 -0.048 1
1 835 . 13 1 1 A 70 70 TRP C C 67 174.400 175.198 -0.798 1
1 836 . 13 1 1 A 70 70 TRP CA C 67 55.100 56.039 -0.939 1
1 837 . 13 1 1 A 70 70 TRP CB C 67 31.800 33.657 -1.857 1
1 843 . 13 1 1 A 70 70 TRP N N 67 122.200 123.110 -0.910 1
1 845 . 13 1 1 A 71 71 VAL H H 68 9.490 9.182 0.308 1
1 846 . 13 1 1 A 71 71 VAL HA H 68 4.990 4.732 0.258 1
1 854 . 13 1 1 A 71 71 VAL C C 68 173.000 174.019 -1.019 1
1 855 . 13 1 1 A 71 71 VAL CA C 68 58.500 59.830 -1.330 1
1 856 . 13 1 1 A 71 71 VAL CB C 68 34.300 33.665 0.635 1
1 859 . 13 1 1 A 71 71 VAL N N 68 120.900 123.323 -2.423 1
1 860 . 13 1 1 A 72 72 ALA H H 69 8.550 9.462 -0.912 1
1 861 . 13 1 1 A 72 72 ALA HA H 69 5.280 5.372 -0.092 1
1 865 . 13 1 1 A 72 72 ALA C C 69 178.000 176.044 1.956 1
1 866 . 13 1 1 A 72 72 ALA CA C 69 49.200 50.174 -0.974 1
1 867 . 13 1 1 A 72 72 ALA CB C 69 19.700 20.854 -1.154 1
1 868 . 13 1 1 A 72 72 ALA N N 69 130.000 130.992 -0.992 1
1 869 . 13 1 1 A 73 73 SER H H 70 9.470 8.791 0.679 1
1 870 . 13 1 1 A 73 73 SER HA H 70 4.540 4.836 -0.296 1
1 873 . 13 1 1 A 73 73 SER CA C 70 55.700 55.248 0.452 1
1 874 . 13 1 1 A 73 73 SER CB C 70 64.400 64.276 0.124 1
1 875 . 13 1 1 A 73 73 SER N N 70 118.100 118.427 -0.327 1
1 876 . 13 1 1 A 74 74 PRO HA H 71 4.540 4.501 0.039 1
1 883 . 13 1 1 A 74 74 PRO C C 71 176.700 177.442 -0.742 1
1 884 . 13 1 1 A 74 74 PRO CA C 71 64.000 64.015 -0.015 1
1 885 . 13 1 1 A 74 74 PRO CB C 71 32.300 32.537 -0.237 1
1 888 . 13 1 1 A 75 75 LEU H H 72 7.850 8.124 -0.274 1
1 889 . 13 1 1 A 75 75 LEU HA H 72 4.330 4.135 0.195 1
1 899 . 13 1 1 A 75 75 LEU CA C 72 56.200 57.508 -1.308 1
1 900 . 13 1 1 A 75 75 LEU CB C 72 38.500 43.266 -4.766 1
1 904 . 13 1 1 A 75 75 LEU N N 72 119.300 118.272 1.028 1
1 905 . 13 1 1 A 76 76 LYS HA H 73 4.470 4.775 -0.305 1
1 914 . 13 1 1 A 76 76 LYS C C 73 176.600 174.762 1.838 1
1 915 . 13 1 1 A 76 76 LYS CA C 73 54.600 54.653 -0.053 1
1 916 . 13 1 1 A 76 76 LYS CB C 73 31.700 35.573 -3.873 1
1 920 . 13 1 1 A 77 77 LYS H H 74 7.240 8.513 -1.273 1
1 921 . 13 1 1 A 77 77 LYS HA H 74 4.440 4.361 0.079 1
1 930 . 13 1 1 A 77 77 LYS C C 74 175.500 174.947 0.553 1
1 931 . 13 1 1 A 77 77 LYS CA C 74 57.800 56.514 1.286 1
1 932 . 13 1 1 A 77 77 LYS CB C 74 28.600 32.468 -3.868 1
1 936 . 13 1 1 A 77 77 LYS N N 74 110.900 124.149 -13.249 1
1 937 . 13 1 1 A 78 78 GLN H H 75 8.080 8.326 -0.246 1
1 938 . 13 1 1 A 78 78 GLN HA H 75 4.030 4.644 -0.614 1
1 945 . 13 1 1 A 78 78 GLN C C 75 174.500 173.992 0.508 1
1 946 . 13 1 1 A 78 78 GLN CA C 75 58.400 55.322 3.078 1
1 947 . 13 1 1 A 78 78 GLN CB C 75 27.400 32.419 -5.019 1
1 949 . 13 1 1 A 78 78 GLN N N 75 119.100 125.683 -6.583 1
1 951 . 13 1 1 A 79 79 ARG H H 76 9.800 8.540 1.260 1
1 952 . 13 1 1 A 79 79 ARG HA H 76 5.310 5.521 -0.211 1
1 960 . 13 1 1 A 79 79 ARG C C 76 175.800 174.700 1.100 1
1 961 . 13 1 1 A 79 79 ARG CA C 76 55.300 54.416 0.884 1
1 962 . 13 1 1 A 79 79 ARG CB C 76 33.100 33.955 -0.855 1
1 965 . 13 1 1 A 79 79 ARG N N 76 122.800 122.052 0.748 1
1 967 . 13 1 1 A 80 80 PHE H H 77 9.220 9.470 -0.250 1
1 968 . 13 1 1 A 80 80 PHE HA H 77 5.630 4.888 0.742 1
1 976 . 13 1 1 A 80 80 PHE C C 77 175.300 174.429 0.871 1
1 977 . 13 1 1 A 80 80 PHE CA C 77 55.800 56.268 -0.468 1
1 978 . 13 1 1 A 80 80 PHE CB C 77 41.300 42.285 -0.985 1
1 984 . 13 1 1 A 80 80 PHE N N 77 119.400 119.747 -0.347 1
1 985 . 13 1 1 A 81 81 ARG H H 78 9.870 8.371 1.499 1
1 986 . 13 1 1 A 81 81 ARG HA H 78 3.490 2.976 0.514 1
1 996 . 13 1 1 A 81 81 ARG C C 78 177.400 175.431 1.969 1
1 997 . 13 1 1 A 81 81 ARG CA C 78 58.100 55.659 2.441 1
1 998 . 13 1 1 A 81 81 ARG CB C 78 30.500 29.595 0.905 1
1 1001 . 13 1 1 A 81 81 ARG N N 78 130.100 124.531 5.569 1
1 1004 . 13 1 1 A 82 82 LEU H H 79 7.860 7.917 -0.057 1
1 1005 . 13 1 1 A 82 82 LEU HA H 79 3.790 3.775 0.015 1
1 1015 . 13 1 1 A 82 82 LEU C C 79 177.500 178.023 -0.523 1
1 1016 . 13 1 1 A 82 82 LEU CA C 79 57.600 57.560 0.040 1
1 1017 . 13 1 1 A 82 82 LEU CB C 79 39.600 41.778 -2.178 1
1 1021 . 13 1 1 A 82 82 LEU N N 79 125.300 127.509 -2.209 1
1 1022 . 13 1 1 A 83 83 SER H H 80 8.000 7.558 0.442 1
1 1023 . 13 1 1 A 83 83 SER HA H 80 4.200 3.101 1.099 1
1 1026 . 13 1 1 A 83 83 SER C C 80 176.600 175.468 1.132 1
1 1027 . 13 1 1 A 83 83 SER CA C 80 60.100 61.678 -1.578 1
1 1028 . 13 1 1 A 83 83 SER CB C 80 62.500 62.694 -0.194 1
1 1029 . 13 1 1 A 83 83 SER N N 80 109.700 113.655 -3.955 1
1 1030 . 13 1 1 A 84 84 ASP H H 81 7.100 7.757 -0.657 1
1 1031 . 13 1 1 A 84 84 ASP HA H 81 4.090 4.354 -0.264 1
1 1034 . 13 1 1 A 84 84 ASP C C 81 175.900 175.998 -0.098 1
1 1035 . 13 1 1 A 84 84 ASP CA C 81 53.500 54.899 -1.399 1
1 1036 . 13 1 1 A 84 84 ASP CB C 81 41.900 42.663 -0.763 1
1 1037 . 13 1 1 A 84 84 ASP N N 81 117.300 117.745 -0.445 1
1 1038 . 13 1 1 A 85 85 GLY H H 82 8.860 7.524 1.336 1
1 1039 . 13 1 1 A 85 85 GLY HA2 H 82 3.590 4.030 -0.440 1
1 1040 . 13 1 1 A 85 85 GLY HA3 H 82 4.810 4.041 0.769 1
1 1041 . 13 1 1 A 85 85 GLY C C 82 173.700 174.263 -0.563 1
1 1042 . 13 1 1 A 85 85 GLY CA C 82 45.900 44.767 1.133 1
1 1043 . 13 1 1 A 85 85 GLY N N 82 111.300 107.331 3.969 1
1 1044 . 13 1 1 A 86 86 LEU H H 83 7.430 7.430 0.000 1
1 1045 . 13 1 1 A 86 86 LEU HA H 83 4.290 4.226 0.064 1
1 1055 . 13 1 1 A 86 86 LEU C C 83 176.600 175.461 1.139 1
1 1056 . 13 1 1 A 86 86 LEU CA C 83 56.200 55.228 0.972 1
1 1057 . 13 1 1 A 86 86 LEU CB C 83 43.100 42.411 0.689 1
1 1061 . 13 1 1 A 86 86 LEU N N 83 120.800 122.532 -1.732 1
1 1062 . 13 1 1 A 87 87 CYS H H 84 8.080 8.252 -0.172 1
1 1063 . 13 1 1 A 87 87 CYS HA H 84 5.290 4.341 0.949 1
1 1066 . 13 1 1 A 87 87 CYS C C 84 175.300 175.589 -0.289 1
1 1067 . 13 1 1 A 87 87 CYS CA C 84 56.600 59.353 -2.753 1
1 1068 . 13 1 1 A 87 87 CYS CB C 84 27.800 28.503 -0.703 1
1 1069 . 13 1 1 A 87 87 CYS N N 84 126.300 126.218 0.082 1
1 1070 . 13 1 1 A 88 88 MET H H 85 8.760 8.705 0.055 1
1 1071 . 13 1 1 A 88 88 MET HA H 85 3.630 4.199 -0.569 1
1 1079 . 13 1 1 A 88 88 MET C C 85 177.500 177.605 -0.105 1
1 1080 . 13 1 1 A 88 88 MET CA C 85 58.800 57.870 0.930 1
1 1081 . 13 1 1 A 88 88 MET CB C 85 33.800 32.416 1.384 1
1 1084 . 13 1 1 A 88 88 MET N N 85 130.500 127.111 3.389 1
1 1085 . 13 1 1 A 89 89 GLU H H 86 9.160 7.842 1.318 1
1 1086 . 13 1 1 A 89 89 GLU HA H 86 3.770 4.085 -0.315 1
1 1091 . 13 1 1 A 89 89 GLU C C 86 177.500 176.292 1.208 1
1 1092 . 13 1 1 A 89 89 GLU CA C 86 60.900 56.628 4.272 1
1 1093 . 13 1 1 A 89 89 GLU CB C 86 29.300 29.703 -0.403 1
1 1095 . 13 1 1 A 89 89 GLU N N 86 119.200 117.924 1.276 1
1 1096 . 13 1 1 A 90 90 ASP H H 87 7.080 7.695 -0.615 1
1 1097 . 13 1 1 A 90 90 ASP HA H 87 4.590 4.300 0.290 1
1 1100 . 13 1 1 A 90 90 ASP CA C 87 54.700 52.736 1.964 1
1 1101 . 13 1 1 A 90 90 ASP CB C 87 41.800 40.826 0.974 1
1 1102 . 13 1 1 A 90 90 ASP N N 87 115.800 120.006 -4.206 1
1 1103 . 13 1 1 A 91 91 GLU H H 88 9.340 7.892 1.448 1
1 1104 . 13 1 1 A 91 91 GLU HA H 88 4.290 3.883 0.407 1
1 1109 . 13 1 1 A 91 91 GLU C C 88 178.900 178.908 -0.008 1
1 1110 . 13 1 1 A 91 91 GLU CA C 88 59.000 59.822 -0.822 1
1 1111 . 13 1 1 A 91 91 GLU CB C 88 29.100 29.298 -0.198 1
1 1113 . 13 1 1 A 91 91 GLU N N 88 127.400 119.828 7.572 1
1 1114 . 13 1 1 A 92 92 GLN H H 89 8.920 7.906 1.014 1
1 1115 . 13 1 1 A 92 92 GLN HA H 89 4.170 4.150 0.020 1
1 1122 . 13 1 1 A 92 92 GLN C C 89 176.600 177.786 -1.186 1
1 1123 . 13 1 1 A 92 92 GLN CA C 89 57.800 58.598 -0.798 1
1 1124 . 13 1 1 A 92 92 GLN CB C 89 28.400 28.620 -0.220 1
1 1127 . 13 1 1 A 92 92 GLN N N 89 120.400 118.251 2.149 1
1 1129 . 13 1 1 A 93 93 PHE H H 90 8.150 8.195 -0.045 1
1 1130 . 13 1 1 A 93 93 PHE HA H 90 4.430 4.511 -0.081 1
1 1138 . 13 1 1 A 93 93 PHE C C 90 172.600 175.256 -2.656 1
1 1139 . 13 1 1 A 93 93 PHE CA C 90 57.800 60.255 -2.455 1
1 1140 . 13 1 1 A 93 93 PHE CB C 90 39.300 40.837 -1.537 1
1 1146 . 13 1 1 A 93 93 PHE N N 90 119.700 120.518 -0.818 1
1 1147 . 13 1 1 A 94 94 SER H H 91 7.020 8.363 -1.343 1
1 1148 . 13 1 1 A 94 94 SER HA H 91 4.870 4.487 0.383 1
1 1152 . 13 1 1 A 94 94 SER C C 91 174.100 173.864 0.236 1
1 1153 . 13 1 1 A 94 94 SER CA C 91 60.900 60.780 0.120 1
1 1154 . 13 1 1 A 94 94 SER CB C 91 63.600 61.965 1.635 1
1 1155 . 13 1 1 A 94 94 SER N N 91 112.700 113.494 -0.794 1
1 1156 . 13 1 1 A 95 95 VAL H H 92 9.120 7.784 1.336 1
1 1157 . 13 1 1 A 95 95 VAL HA H 92 4.810 4.796 0.014 1
1 1165 . 13 1 1 A 95 95 VAL C C 92 175.700 174.978 0.722 1
1 1166 . 13 1 1 A 95 95 VAL CA C 92 59.200 59.916 -0.716 1
1 1167 . 13 1 1 A 95 95 VAL CB C 92 35.700 34.393 1.307 1
1 1170 . 13 1 1 A 95 95 VAL N N 92 116.900 118.748 -1.848 1
1 1171 . 13 1 1 A 96 96 LYS H H 93 8.390 8.435 -0.045 1
1 1172 . 13 1 1 A 96 96 LYS HA H 93 4.010 4.381 -0.371 1
1 1181 . 13 1 1 A 96 96 LYS C C 93 174.800 175.531 -0.731 1
1 1182 . 13 1 1 A 96 96 LYS CA C 93 57.700 55.492 2.208 1
1 1183 . 13 1 1 A 96 96 LYS CB C 93 34.000 33.079 0.921 1
1 1187 . 13 1 1 A 96 96 LYS N N 93 120.300 123.259 -2.959 1
1 1188 . 13 1 1 A 97 97 HIS H H 94 8.030 8.801 -0.771 1
1 1189 . 13 1 1 A 97 97 HIS HA H 94 5.060 4.899 0.161 1
1 1194 . 13 1 1 A 97 97 HIS C C 94 172.600 173.373 -0.773 1
1 1195 . 13 1 1 A 97 97 HIS CA C 94 54.700 55.201 -0.501 1
1 1196 . 13 1 1 A 97 97 HIS CB C 94 31.400 30.884 0.516 1
1 1199 . 13 1 1 A 97 97 HIS N N 94 121.000 127.559 -6.559 1
1 1200 . 13 1 1 A 98 98 TYR H H 95 7.610 8.873 -1.263 1
1 1201 . 13 1 1 A 98 98 TYR HA H 95 4.410 4.664 -0.254 1
1 1208 . 13 1 1 A 98 98 TYR C C 95 173.600 175.594 -1.994 1
1 1209 . 13 1 1 A 98 98 TYR CA C 95 56.400 57.555 -1.155 1
1 1210 . 13 1 1 A 98 98 TYR CB C 95 40.900 40.831 0.069 1
1 1215 . 13 1 1 A 98 98 TYR N N 95 121.800 126.256 -4.456 1
1 1216 . 13 1 1 A 99 99 GLU H H 96 8.480 8.966 -0.486 1
1 1217 . 13 1 1 A 99 99 GLU HA H 96 4.420 4.807 -0.387 1
1 1222 . 13 1 1 A 99 99 GLU C C 96 174.300 175.482 -1.182 1
1 1223 . 13 1 1 A 99 99 GLU CA C 96 56.600 55.670 0.930 1
1 1224 . 13 1 1 A 99 99 GLU CB C 96 30.700 30.535 0.165 1
1 1226 . 13 1 1 A 99 99 GLU N N 96 122.200 121.347 0.853 1
1 1227 . 13 1 1 A 100 100 ALA H H 97 8.420 9.112 -0.692 1
1 1228 . 13 1 1 A 100 100 ALA HA H 97 5.940 6.082 -0.142 1
1 1232 . 13 1 1 A 100 100 ALA C C 97 176.100 175.992 0.108 1
1 1233 . 13 1 1 A 100 100 ALA CA C 97 50.400 50.177 0.223 1
1 1234 . 13 1 1 A 100 100 ALA CB C 97 23.700 22.899 0.801 1
1 1235 . 13 1 1 A 100 100 ALA N N 97 124.100 127.848 -3.748 1
1 1236 . 13 1 1 A 101 101 ARG H H 98 9.000 9.028 -0.028 1
1 1237 . 13 1 1 A 101 101 ARG HA H 98 4.640 5.057 -0.417 1
1 1245 . 13 1 1 A 101 101 ARG C C 98 172.100 174.447 -2.347 1
1 1246 . 13 1 1 A 101 101 ARG CA C 98 54.200 54.548 -0.348 1
1 1247 . 13 1 1 A 101 101 ARG CB C 98 32.800 33.872 -1.072 1
1 1250 . 13 1 1 A 101 101 ARG N N 98 118.400 117.942 0.458 1
1 1252 . 13 1 1 A 102 102 VAL H H 99 8.330 8.917 -0.587 1
1 1253 . 13 1 1 A 102 102 VAL HA H 99 4.720 4.403 0.317 1
1 1261 . 13 1 1 A 102 102 VAL C C 99 175.200 174.476 0.724 1
1 1262 . 13 1 1 A 102 102 VAL CA C 99 61.100 61.966 -0.866 1
1 1263 . 13 1 1 A 102 102 VAL CB C 99 32.700 31.070 1.630 1
1 1266 . 13 1 1 A 102 102 VAL N N 99 119.500 123.091 -3.591 1
1 1267 . 13 1 1 A 103 103 LYS H H 100 9.070 9.035 0.035 1
1 1268 . 13 1 1 A 103 103 LYS HA H 100 4.460 4.513 -0.053 1
1 1277 . 13 1 1 A 103 103 LYS C C 100 175.700 176.083 -0.383 1
1 1278 . 13 1 1 A 103 103 LYS CA C 100 54.300 55.252 -0.952 1
1 1279 . 13 1 1 A 103 103 LYS CB C 100 34.800 33.776 1.024 1
1 1283 . 13 1 1 A 103 103 LYS N N 100 130.200 128.093 2.107 1
1 1284 . 13 1 1 A 104 104 ASP H H 101 9.560 9.468 0.092 1
1 1285 . 13 1 1 A 104 104 ASP HA H 101 4.210 4.351 -0.141 1
1 1288 . 13 1 1 A 104 104 ASP C C 101 175.800 176.174 -0.374 1
1 1289 . 13 1 1 A 104 104 ASP CA C 101 55.500 55.297 0.203 1
1 1290 . 13 1 1 A 104 104 ASP CB C 101 39.700 39.219 0.481 1
1 1291 . 13 1 1 A 104 104 ASP N N 101 130.600 128.028 2.572 1
1 1292 . 13 1 1 A 105 105 GLY H H 102 8.260 8.504 -0.244 1
1 1293 . 13 1 1 A 105 105 GLY HA2 H 102 3.450 3.801 -0.351 1
1 1294 . 13 1 1 A 105 105 GLY HA3 H 102 4.170 3.802 0.368 1
1 1295 . 13 1 1 A 105 105 GLY C C 102 173.300 173.735 -0.435 1
1 1296 . 13 1 1 A 105 105 GLY CA C 102 45.300 45.380 -0.080 1
1 1297 . 13 1 1 A 105 105 GLY N N 102 101.900 105.162 -3.262 1
1 1298 . 13 1 1 A 106 106 VAL H H 103 7.900 8.063 -0.163 1
1 1299 . 13 1 1 A 106 106 VAL HA H 103 4.270 4.293 -0.023 1
1 1307 . 13 1 1 A 106 106 VAL C C 103 175.100 174.957 0.143 1
1 1308 . 13 1 1 A 106 106 VAL CA C 103 62.100 61.371 0.729 1
1 1309 . 13 1 1 A 106 106 VAL CB C 103 34.100 33.688 0.412 1
1 1312 . 13 1 1 A 106 106 VAL N N 103 123.800 122.385 1.415 1
1 1313 . 13 1 1 A 107 107 VAL H H 104 9.290 9.180 0.110 1
1 1314 . 13 1 1 A 107 107 VAL HA H 104 4.220 4.389 -0.169 1
1 1322 . 13 1 1 A 107 107 VAL C C 104 174.300 175.439 -1.139 1
1 1323 . 13 1 1 A 107 107 VAL CA C 104 62.700 62.672 0.028 1
1 1324 . 13 1 1 A 107 107 VAL CB C 104 31.500 31.711 -0.211 1
1 1327 . 13 1 1 A 107 107 VAL N N 104 127.300 128.323 -1.023 1
1 1328 . 13 1 1 A 108 108 GLN H H 105 9.410 9.276 0.134 1
1 1329 . 13 1 1 A 108 108 GLN HA H 105 5.720 5.107 0.613 1
1 1336 . 13 1 1 A 108 108 GLN C C 105 174.900 174.442 0.458 1
1 1337 . 13 1 1 A 108 108 GLN CA C 105 53.400 54.795 -1.395 1
1 1338 . 13 1 1 A 108 108 GLN CB C 105 34.600 31.018 3.582 1
1 1341 . 13 1 1 A 108 108 GLN N N 105 126.500 127.147 -0.647 1
1 1343 . 13 1 1 A 109 109 LEU H H 106 8.530 8.965 -0.435 1
1 1344 . 13 1 1 A 109 109 LEU HA H 106 5.760 5.365 0.395 1
1 1354 . 13 1 1 A 109 109 LEU C C 106 176.300 174.132 2.168 1
1 1355 . 13 1 1 A 109 109 LEU CA C 106 52.800 53.289 -0.489 1
1 1356 . 13 1 1 A 109 109 LEU CB C 106 48.900 45.589 3.311 1
1 1360 . 13 1 1 A 109 109 LEU N N 106 118.900 125.778 -6.878 1
1 1361 . 13 1 1 A 110 110 ARG H H 107 8.310 9.048 -0.738 1
1 1362 . 13 1 1 A 110 110 ARG HA H 107 4.230 4.949 -0.719 1
1 1370 . 13 1 1 A 110 110 ARG C C 107 174.800 175.087 -0.287 1
1 1371 . 13 1 1 A 110 110 ARG CA C 107 55.700 53.785 1.915 1
1 1372 . 13 1 1 A 110 110 ARG CB C 107 31.900 32.327 -0.427 1
1 1375 . 13 1 1 A 110 110 ARG N N 107 119.900 127.556 -7.656 1
1 1377 . 13 1 1 A 111 111 GLY H H 108 8.390 8.353 0.037 1
1 1378 . 13 1 1 A 111 111 GLY HA2 H 108 3.880 4.191 -0.311 1
1 1379 . 13 1 1 A 111 111 GLY HA3 H 108 4.130 4.466 -0.336 1
1 1380 . 13 1 1 A 111 111 GLY C C 108 173.500 173.037 0.463 1
1 1381 . 13 1 1 A 111 111 GLY CA C 108 45.000 45.814 -0.814 1
1 1382 . 13 1 1 A 111 111 GLY N N 108 110.000 112.162 -2.162 1
1 1383 . 13 1 1 A 112 112 GLY H H 109 8.280 7.948 0.332 1
1 1384 . 13 1 1 A 112 112 GLY HA2 H 109 3.850 4.195 -0.345 1
1 1385 . 13 1 1 A 112 112 GLY HA3 H 109 3.950 4.202 -0.252 1
1 1386 . 13 1 1 A 112 112 GLY C C 109 173.200 173.533 -0.333 1
1 1387 . 13 1 1 A 112 112 GLY CA C 109 45.100 45.646 -0.546 1
1 1388 . 13 1 1 A 112 112 GLY N N 109 108.400 109.507 -1.107 1
1 10 . 14 1 1 A 5 5 SER H H 2 8.360 8.729 -0.369 1
1 11 . 14 1 1 A 5 5 SER HA H 2 4.400 4.697 -0.297 1
1 14 . 14 1 1 A 5 5 SER C C 2 174.100 173.853 0.247 1
1 15 . 14 1 1 A 5 5 SER CA C 2 58.200 57.977 0.223 1
1 16 . 14 1 1 A 5 5 SER CB C 2 63.700 65.689 -1.989 1
1 17 . 14 1 1 A 5 5 SER N N 2 117.000 122.208 -5.208 1
1 18 . 14 1 1 A 6 6 GLN H H 3 8.280 7.876 0.404 1
1 19 . 14 1 1 A 6 6 GLN HA H 3 4.320 3.830 0.490 1
1 26 . 14 1 1 A 6 6 GLN C C 3 175.500 175.078 0.422 1
1 27 . 14 1 1 A 6 6 GLN CA C 3 55.400 56.763 -1.363 1
1 28 . 14 1 1 A 6 6 GLN CB C 3 30.100 26.350 3.750 1
1 31 . 14 1 1 A 6 6 GLN N N 3 121.800 116.942 4.858 1
1 33 . 14 1 1 A 7 7 TRP H H 4 8.170 7.785 0.385 1
1 34 . 14 1 1 A 7 7 TRP HA H 4 4.470 5.009 -0.539 1
1 43 . 14 1 1 A 7 7 TRP C C 4 176.200 175.517 0.683 1
1 44 . 14 1 1 A 7 7 TRP CA C 4 57.600 57.880 -0.280 1
1 45 . 14 1 1 A 7 7 TRP CB C 4 30.300 29.226 1.074 1
1 51 . 14 1 1 A 7 7 TRP N N 4 122.300 120.109 2.191 1
1 53 . 14 1 1 A 8 8 LYS H H 5 9.370 8.954 0.416 1
1 54 . 14 1 1 A 8 8 LYS HA H 5 4.690 4.859 -0.169 1
1 63 . 14 1 1 A 8 8 LYS C C 5 175.600 175.699 -0.099 1
1 64 . 14 1 1 A 8 8 LYS CA C 5 54.200 54.995 -0.795 1
1 65 . 14 1 1 A 8 8 LYS CB C 5 34.700 34.377 0.323 1
1 69 . 14 1 1 A 8 8 LYS N N 5 125.100 126.250 -1.150 1
1 70 . 14 1 1 A 9 9 ASP H H 6 8.730 8.732 -0.002 1
1 71 . 14 1 1 A 9 9 ASP HA H 6 4.500 4.868 -0.368 1
1 74 . 14 1 1 A 9 9 ASP C C 6 176.200 175.654 0.546 1
1 75 . 14 1 1 A 9 9 ASP CA C 6 55.400 54.601 0.799 1
1 76 . 14 1 1 A 9 9 ASP CB C 6 40.700 41.455 -0.755 1
1 77 . 14 1 1 A 9 9 ASP N N 6 125.400 125.932 -0.532 1
1 78 . 14 1 1 A 10 10 ILE H H 7 9.300 9.512 -0.212 1
1 79 . 14 1 1 A 10 10 ILE HA H 7 4.300 4.156 0.144 1
1 89 . 14 1 1 A 10 10 ILE C C 7 175.500 176.082 -0.582 1
1 90 . 14 1 1 A 10 10 ILE CA C 7 60.000 62.747 -2.747 1
1 91 . 14 1 1 A 10 10 ILE CB C 7 37.700 38.226 -0.526 1
1 95 . 14 1 1 A 10 10 ILE N N 7 122.900 123.395 -0.495 1
1 96 . 14 1 1 A 11 11 CYS H H 8 7.510 7.667 -0.157 1
1 97 . 14 1 1 A 11 11 CYS HA H 8 4.880 4.637 0.243 1
1 100 . 14 1 1 A 11 11 CYS C C 8 172.300 172.987 -0.687 1
1 101 . 14 1 1 A 11 11 CYS CA C 8 55.700 57.412 -1.712 1
1 102 . 14 1 1 A 11 11 CYS CB C 8 28.800 30.052 -1.252 1
1 103 . 14 1 1 A 11 11 CYS N N 8 111.400 116.269 -4.869 1
1 104 . 14 1 1 A 12 12 LYS H H 9 8.920 8.662 0.258 1
1 105 . 14 1 1 A 12 12 LYS HA H 9 4.880 4.624 0.256 1
1 114 . 14 1 1 A 12 12 LYS C C 9 179.400 177.882 1.518 1
1 115 . 14 1 1 A 12 12 LYS CA C 9 55.700 55.941 -0.241 1
1 116 . 14 1 1 A 12 12 LYS CB C 9 32.100 33.207 -1.107 1
1 120 . 14 1 1 A 12 12 LYS N N 9 120.100 119.457 0.643 1
1 121 . 14 1 1 A 13 13 ILE H H 10 8.640 9.235 -0.595 1
1 122 . 14 1 1 A 13 13 ILE HA H 10 3.990 3.972 0.018 1
1 132 . 14 1 1 A 13 13 ILE C C 10 174.900 177.006 -2.106 1
1 133 . 14 1 1 A 13 13 ILE CA C 10 61.000 62.977 -1.977 1
1 134 . 14 1 1 A 13 13 ILE CB C 10 37.800 38.249 -0.449 1
1 138 . 14 1 1 A 13 13 ILE N N 10 123.700 125.594 -1.894 1
1 139 . 14 1 1 A 14 14 ASP H H 11 7.600 8.304 -0.704 1
1 140 . 14 1 1 A 14 14 ASP HA H 11 4.350 4.353 -0.003 1
1 143 . 14 1 1 A 14 14 ASP C C 11 176.500 178.144 -1.644 1
1 144 . 14 1 1 A 14 14 ASP CA C 11 55.400 57.188 -1.788 1
1 145 . 14 1 1 A 14 14 ASP CB C 11 40.400 41.445 -1.045 1
1 146 . 14 1 1 A 14 14 ASP N N 11 115.800 121.882 -6.082 1
1 147 . 14 1 1 A 15 15 ASP H H 12 7.600 7.941 -0.341 1
1 148 . 14 1 1 A 15 15 ASP HA H 12 4.490 4.542 -0.052 1
1 151 . 14 1 1 A 15 15 ASP C C 12 175.600 176.340 -0.740 1
1 152 . 14 1 1 A 15 15 ASP CA C 12 55.500 56.323 -0.823 1
1 153 . 14 1 1 A 15 15 ASP CB C 12 40.900 40.741 0.159 1
1 154 . 14 1 1 A 15 15 ASP N N 12 116.800 117.341 -0.541 1
1 155 . 14 1 1 A 16 16 ILE H H 13 7.700 7.807 -0.107 1
1 156 . 14 1 1 A 16 16 ILE HA H 13 4.000 4.314 -0.314 1
1 166 . 14 1 1 A 16 16 ILE C C 13 174.100 174.945 -0.845 1
1 167 . 14 1 1 A 16 16 ILE CA C 13 60.500 60.746 -0.246 1
1 168 . 14 1 1 A 16 16 ILE CB C 13 38.200 38.154 0.046 1
1 172 . 14 1 1 A 16 16 ILE N N 13 120.900 119.728 1.172 1
1 173 . 14 1 1 A 17 17 LEU H H 14 7.970 8.788 -0.818 1
1 174 . 14 1 1 A 17 17 LEU HA H 14 4.370 4.540 -0.170 1
1 184 . 14 1 1 A 17 17 LEU CA C 14 53.800 53.630 0.170 1
1 185 . 14 1 1 A 17 17 LEU CB C 14 40.500 40.788 -0.288 1
1 189 . 14 1 1 A 17 17 LEU N N 14 127.800 129.624 -1.824 1
1 190 . 14 1 1 A 18 18 PRO HA H 15 4.080 4.292 -0.212 1
1 197 . 14 1 1 A 18 18 PRO C C 15 175.700 176.732 -1.032 1
1 198 . 14 1 1 A 18 18 PRO CA C 15 64.300 63.707 0.593 1
1 199 . 14 1 1 A 18 18 PRO CB C 15 31.600 31.941 -0.341 1
1 202 . 14 1 1 A 19 19 GLU H H 16 8.930 8.876 0.054 1
1 203 . 14 1 1 A 19 19 GLU HA H 16 3.660 3.862 -0.202 1
1 208 . 14 1 1 A 19 19 GLU C C 16 175.500 174.976 0.524 1
1 209 . 14 1 1 A 19 19 GLU CA C 16 58.300 57.917 0.383 1
1 210 . 14 1 1 A 19 19 GLU CB C 16 27.300 28.277 -0.977 1
1 212 . 14 1 1 A 19 19 GLU N N 16 113.700 116.021 -2.321 1
1 213 . 14 1 1 A 20 20 THR H H 17 7.790 7.349 0.441 1
1 214 . 14 1 1 A 20 20 THR HA H 17 5.080 4.857 0.223 1
1 220 . 14 1 1 A 20 20 THR C C 17 172.100 173.244 -1.144 1
1 221 . 14 1 1 A 20 20 THR CA C 17 60.700 59.953 0.747 1
1 222 . 14 1 1 A 20 20 THR CB C 17 73.100 71.603 1.497 1
1 224 . 14 1 1 A 20 20 THR N N 17 110.000 113.686 -3.686 1
1 225 . 14 1 1 A 21 21 GLY H H 18 8.080 8.796 -0.716 1
1 226 . 14 1 1 A 21 21 GLY HA2 H 18 3.070 4.202 -1.132 1
1 227 . 14 1 1 A 21 21 GLY HA3 H 18 5.270 4.323 0.947 1
1 228 . 14 1 1 A 21 21 GLY C C 18 173.400 172.293 1.107 1
1 229 . 14 1 1 A 21 21 GLY CA C 18 44.600 44.008 0.592 1
1 230 . 14 1 1 A 21 21 GLY N N 18 103.700 113.070 -9.370 1
1 231 . 14 1 1 A 22 22 VAL H H 19 8.520 8.977 -0.457 1
1 232 . 14 1 1 A 22 22 VAL HA H 19 4.570 4.967 -0.397 1
1 240 . 14 1 1 A 22 22 VAL C C 19 172.900 173.253 -0.353 1
1 241 . 14 1 1 A 22 22 VAL CA C 19 58.900 58.696 0.204 1
1 242 . 14 1 1 A 22 22 VAL CB C 19 35.900 36.092 -0.192 1
1 245 . 14 1 1 A 22 22 VAL N N 19 112.900 117.183 -4.283 1
1 246 . 14 1 1 A 23 23 CYS H H 20 8.290 8.754 -0.464 1
1 247 . 14 1 1 A 23 23 CYS HA H 20 5.250 5.260 -0.010 1
1 250 . 14 1 1 A 23 23 CYS C C 20 173.500 173.656 -0.156 1
1 251 . 14 1 1 A 23 23 CYS CA C 20 56.300 57.187 -0.887 1
1 252 . 14 1 1 A 23 23 CYS CB C 20 27.600 31.208 -3.608 1
1 253 . 14 1 1 A 23 23 CYS N N 20 120.700 120.647 0.053 1
1 254 . 14 1 1 A 24 24 ALA H H 21 9.590 9.278 0.312 1
1 255 . 14 1 1 A 24 24 ALA HA H 21 4.580 5.090 -0.510 1
1 259 . 14 1 1 A 24 24 ALA C C 21 174.400 175.464 -1.064 1
1 260 . 14 1 1 A 24 24 ALA CA C 21 50.200 50.757 -0.557 1
1 261 . 14 1 1 A 24 24 ALA CB C 21 23.400 23.738 -0.338 1
1 262 . 14 1 1 A 24 24 ALA N N 21 132.500 126.177 6.323 1
1 263 . 14 1 1 A 25 25 LEU H H 22 8.100 8.615 -0.515 1
1 264 . 14 1 1 A 25 25 LEU HA H 22 4.860 5.069 -0.209 1
1 274 . 14 1 1 A 25 25 LEU C C 22 175.800 174.937 0.863 1
1 275 . 14 1 1 A 25 25 LEU CA C 22 53.800 53.387 0.413 1
1 276 . 14 1 1 A 25 25 LEU CB C 22 43.600 43.596 0.004 1
1 280 . 14 1 1 A 25 25 LEU N N 22 120.700 120.159 0.541 1
1 281 . 14 1 1 A 26 26 LEU H H 23 8.660 8.689 -0.029 1
1 282 . 14 1 1 A 26 26 LEU HA H 23 4.410 4.643 -0.233 1
1 292 . 14 1 1 A 26 26 LEU C C 23 176.600 176.705 -0.105 1
1 293 . 14 1 1 A 26 26 LEU CA C 23 53.100 53.269 -0.169 1
1 294 . 14 1 1 A 26 26 LEU CB C 23 43.400 43.438 -0.038 1
1 298 . 14 1 1 A 26 26 LEU N N 23 125.800 126.226 -0.426 1
1 299 . 14 1 1 A 27 27 GLY H H 24 8.910 8.948 -0.038 1
1 300 . 14 1 1 A 27 27 GLY HA2 H 24 3.560 3.842 -0.282 1
1 301 . 14 1 1 A 27 27 GLY HA3 H 24 4.000 3.846 0.154 1
1 302 . 14 1 1 A 27 27 GLY C C 24 173.800 174.390 -0.590 1
1 303 . 14 1 1 A 27 27 GLY CA C 24 47.300 47.326 -0.026 1
1 304 . 14 1 1 A 27 27 GLY N N 24 118.300 116.547 1.753 1
1 305 . 14 1 1 A 28 28 ASP H H 25 8.800 8.672 0.128 1
1 306 . 14 1 1 A 28 28 ASP HA H 25 4.690 4.741 -0.051 1
1 309 . 14 1 1 A 28 28 ASP C C 25 176.100 175.787 0.313 1
1 310 . 14 1 1 A 28 28 ASP CA C 25 53.900 53.394 0.506 1
1 311 . 14 1 1 A 28 28 ASP CB C 25 41.300 42.053 -0.753 1
1 312 . 14 1 1 A 28 28 ASP N N 25 126.600 125.509 1.091 1
1 313 . 14 1 1 A 29 29 GLU H H 26 8.100 7.674 0.426 1
1 314 . 14 1 1 A 29 29 GLU HA H 26 4.440 4.578 -0.138 1
1 319 . 14 1 1 A 29 29 GLU C C 26 174.800 175.536 -0.736 1
1 320 . 14 1 1 A 29 29 GLU CA C 26 55.800 55.634 0.166 1
1 321 . 14 1 1 A 29 29 GLU CB C 26 30.600 31.054 -0.454 1
1 323 . 14 1 1 A 29 29 GLU N N 26 120.400 119.952 0.448 1
1 324 . 14 1 1 A 30 30 GLN H H 27 8.640 8.653 -0.013 1
1 325 . 14 1 1 A 30 30 GLN HA H 27 4.510 4.700 -0.190 1
1 332 . 14 1 1 A 30 30 GLN C C 27 175.800 175.033 0.767 1
1 333 . 14 1 1 A 30 30 GLN CA C 27 55.700 55.853 -0.153 1
1 334 . 14 1 1 A 30 30 GLN CB C 27 29.300 29.443 -0.143 1
1 336 . 14 1 1 A 30 30 GLN N N 27 121.300 122.812 -1.512 1
1 338 . 14 1 1 A 31 31 VAL H H 28 9.280 9.213 0.067 1
1 339 . 14 1 1 A 31 31 VAL HA H 28 4.040 4.528 -0.488 1
1 347 . 14 1 1 A 31 31 VAL C C 28 172.900 174.223 -1.323 1
1 348 . 14 1 1 A 31 31 VAL CA C 28 61.900 60.795 1.105 1
1 349 . 14 1 1 A 31 31 VAL CB C 28 34.800 33.962 0.838 1
1 352 . 14 1 1 A 31 31 VAL N N 28 128.600 124.784 3.816 1
1 353 . 14 1 1 A 32 32 ALA H H 29 9.440 9.399 0.041 1
1 354 . 14 1 1 A 32 32 ALA HA H 29 4.680 4.881 -0.201 1
1 358 . 14 1 1 A 32 32 ALA C C 29 175.200 175.384 -0.184 1
1 359 . 14 1 1 A 32 32 ALA CA C 29 50.500 50.120 0.380 1
1 360 . 14 1 1 A 32 32 ALA CB C 29 20.200 20.352 -0.152 1
1 361 . 14 1 1 A 32 32 ALA N N 29 130.400 128.507 1.893 1
1 362 . 14 1 1 A 33 33 ILE H H 30 8.590 8.933 -0.343 1
1 363 . 14 1 1 A 33 33 ILE HA H 30 4.680 4.653 0.027 1
1 373 . 14 1 1 A 33 33 ILE C C 30 174.800 174.603 0.197 1
1 374 . 14 1 1 A 33 33 ILE CA C 30 59.900 60.011 -0.111 1
1 375 . 14 1 1 A 33 33 ILE CB C 30 39.300 38.469 0.831 1
1 379 . 14 1 1 A 33 33 ILE N N 30 120.600 123.725 -3.125 1
1 380 . 14 1 1 A 34 34 PHE H H 31 9.430 9.425 0.005 1
1 381 . 14 1 1 A 34 34 PHE HA H 31 5.070 5.181 -0.111 1
1 386 . 14 1 1 A 34 34 PHE C C 31 174.800 174.358 0.442 1
1 387 . 14 1 1 A 34 34 PHE CA C 31 57.200 56.484 0.716 1
1 388 . 14 1 1 A 34 34 PHE CB C 31 43.400 41.205 2.195 1
1 391 . 14 1 1 A 34 34 PHE N N 31 121.800 126.280 -4.480 1
1 392 . 14 1 1 A 35 35 ARG H H 32 8.450 9.078 -0.628 1
1 393 . 14 1 1 A 35 35 ARG HA H 32 5.470 5.013 0.457 1
1 403 . 14 1 1 A 35 35 ARG CA C 32 52.000 52.476 -0.476 1
1 404 . 14 1 1 A 35 35 ARG CB C 32 33.200 31.551 1.649 1
1 407 . 14 1 1 A 35 35 ARG N N 32 123.000 124.892 -1.892 1
1 410 . 14 1 1 A 36 36 PRO HA H 33 3.910 4.534 -0.624 1
1 417 . 14 1 1 A 36 36 PRO C C 33 174.300 175.933 -1.633 1
1 418 . 14 1 1 A 36 36 PRO CA C 33 64.600 64.248 0.352 1
1 419 . 14 1 1 A 36 36 PRO CB C 33 32.800 31.979 0.821 1
1 422 . 14 1 1 A 37 37 TYR H H 34 9.000 7.651 1.349 1
1 423 . 14 1 1 A 37 37 TYR HA H 34 5.250 4.852 0.398 1
1 430 . 14 1 1 A 37 37 TYR C C 34 175.000 176.758 -1.758 1
1 431 . 14 1 1 A 37 37 TYR CA C 34 54.200 57.828 -3.628 1
1 432 . 14 1 1 A 37 37 TYR CB C 34 41.000 40.090 0.910 1
1 437 . 14 1 1 A 37 37 TYR N N 34 115.500 118.508 -3.008 1
1 438 . 14 1 1 A 38 38 HIS H H 35 8.700 8.998 -0.298 1
1 439 . 14 1 1 A 38 38 HIS HA H 35 4.490 4.491 -0.001 1
1 444 . 14 1 1 A 38 38 HIS C C 35 175.800 175.652 0.148 1
1 445 . 14 1 1 A 38 38 HIS CA C 35 56.400 58.247 -1.847 1
1 446 . 14 1 1 A 38 38 HIS CB C 35 28.600 30.544 -1.944 1
1 449 . 14 1 1 A 38 38 HIS N N 35 119.000 122.151 -3.151 1
1 450 . 14 1 1 A 39 39 SER H H 36 7.890 7.804 0.086 1
1 451 . 14 1 1 A 39 39 SER HA H 36 4.770 4.446 0.324 1
1 454 . 14 1 1 A 39 39 SER C C 36 173.800 175.087 -1.287 1
1 455 . 14 1 1 A 39 39 SER CA C 36 57.000 58.184 -1.184 1
1 456 . 14 1 1 A 39 39 SER CB C 36 64.700 64.691 0.009 1
1 457 . 14 1 1 A 39 39 SER N N 36 115.500 115.128 0.372 1
1 458 . 14 1 1 A 40 40 ASP H H 37 8.540 8.529 0.011 1
1 459 . 14 1 1 A 40 40 ASP HA H 37 4.540 4.651 -0.111 1
1 462 . 14 1 1 A 40 40 ASP C C 37 174.700 175.885 -1.185 1
1 463 . 14 1 1 A 40 40 ASP CA C 37 53.800 53.455 0.345 1
1 464 . 14 1 1 A 40 40 ASP CB C 37 39.600 40.052 -0.452 1
1 465 . 14 1 1 A 40 40 ASP N N 37 119.400 121.518 -2.118 1
1 466 . 14 1 1 A 41 41 GLN H H 38 7.490 7.661 -0.171 1
1 467 . 14 1 1 A 41 41 GLN HA H 38 4.140 4.348 -0.208 1
1 474 . 14 1 1 A 41 41 GLN C C 38 175.500 175.531 -0.031 1
1 475 . 14 1 1 A 41 41 GLN CA C 38 57.100 55.640 1.460 1
1 476 . 14 1 1 A 41 41 GLN CB C 38 29.400 29.229 0.171 1
1 479 . 14 1 1 A 41 41 GLN N N 38 118.700 121.182 -2.482 1
1 481 . 14 1 1 A 42 42 VAL H H 39 7.800 8.736 -0.936 1
1 482 . 14 1 1 A 42 42 VAL HA H 39 5.600 5.097 0.503 1
1 490 . 14 1 1 A 42 42 VAL C C 39 174.200 174.212 -0.012 1
1 491 . 14 1 1 A 42 42 VAL CA C 39 58.200 59.613 -1.413 1
1 492 . 14 1 1 A 42 42 VAL CB C 39 36.500 34.760 1.740 1
1 495 . 14 1 1 A 42 42 VAL N N 39 116.100 121.175 -5.075 1
1 496 . 14 1 1 A 43 43 PHE H H 40 8.480 9.291 -0.811 1
1 497 . 14 1 1 A 43 43 PHE HA H 40 4.870 5.397 -0.527 1
1 504 . 14 1 1 A 43 43 PHE C C 40 173.900 174.777 -0.877 1
1 505 . 14 1 1 A 43 43 PHE CA C 40 56.800 56.173 0.627 1
1 506 . 14 1 1 A 43 43 PHE CB C 40 45.300 42.640 2.660 1
1 511 . 14 1 1 A 43 43 PHE N N 40 117.200 120.710 -3.510 1
1 512 . 14 1 1 A 44 44 ALA H H 41 9.520 9.233 0.287 1
1 513 . 14 1 1 A 44 44 ALA HA H 41 6.200 5.660 0.540 1
1 517 . 14 1 1 A 44 44 ALA C C 41 176.300 176.526 -0.226 1
1 518 . 14 1 1 A 44 44 ALA CA C 41 50.900 50.553 0.347 1
1 519 . 14 1 1 A 44 44 ALA CB C 41 24.100 21.557 2.543 1
1 520 . 14 1 1 A 44 44 ALA N N 41 125.100 125.133 -0.033 1
1 521 . 14 1 1 A 45 45 ILE H H 42 8.970 9.009 -0.039 1
1 522 . 14 1 1 A 45 45 ILE HA H 42 5.580 5.396 0.184 1
1 532 . 14 1 1 A 45 45 ILE C C 42 174.600 174.858 -0.258 1
1 533 . 14 1 1 A 45 45 ILE CA C 42 59.300 58.843 0.457 1
1 534 . 14 1 1 A 45 45 ILE CB C 42 44.300 41.646 2.654 1
1 538 . 14 1 1 A 45 45 ILE N N 42 117.100 118.951 -1.851 1
1 539 . 14 1 1 A 46 46 SER H H 43 8.460 8.719 -0.259 1
1 540 . 14 1 1 A 46 46 SER HA H 43 4.350 4.709 -0.359 1
1 543 . 14 1 1 A 46 46 SER C C 43 172.100 175.896 -3.796 1
1 544 . 14 1 1 A 46 46 SER CA C 43 59.500 58.848 0.652 1
1 545 . 14 1 1 A 46 46 SER CB C 43 64.900 63.576 1.324 1
1 546 . 14 1 1 A 46 46 SER N N 43 112.400 118.326 -5.926 1
1 547 . 14 1 1 A 47 47 ASN H H 44 7.990 9.250 -1.260 1
1 548 . 14 1 1 A 47 47 ASN HA H 44 4.940 4.848 0.092 1
1 553 . 14 1 1 A 47 47 ASN C C 44 175.800 175.203 0.597 1
1 554 . 14 1 1 A 47 47 ASN CA C 44 53.800 53.645 0.155 1
1 555 . 14 1 1 A 47 47 ASN CB C 44 40.600 38.887 1.713 1
1 556 . 14 1 1 A 47 47 ASN N N 44 117.800 124.386 -6.586 1
1 558 . 14 1 1 A 48 48 ILE H H 45 8.190 7.526 0.664 1
1 559 . 14 1 1 A 48 48 ILE HA H 45 4.100 4.418 -0.318 1
1 569 . 14 1 1 A 48 48 ILE C C 45 175.200 174.747 0.453 1
1 570 . 14 1 1 A 48 48 ILE CA C 45 59.400 60.742 -1.342 1
1 571 . 14 1 1 A 48 48 ILE CB C 45 36.500 38.702 -2.202 1
1 575 . 14 1 1 A 48 48 ILE N N 45 118.300 121.855 -3.555 1
1 576 . 14 1 1 A 49 49 ASP H H 46 8.720 8.771 -0.051 1
1 577 . 14 1 1 A 49 49 ASP HA H 46 4.530 4.948 -0.418 1
1 580 . 14 1 1 A 49 49 ASP CA C 46 51.400 51.543 -0.143 1
1 581 . 14 1 1 A 49 49 ASP CB C 46 42.900 42.499 0.401 1
1 582 . 14 1 1 A 49 49 ASP N N 46 128.600 128.336 0.264 1
1 583 . 14 1 1 A 50 50 PRO HA H 47 4.500 4.643 -0.143 1
1 590 . 14 1 1 A 50 50 PRO C C 47 177.800 177.936 -0.136 1
1 591 . 14 1 1 A 50 50 PRO CA C 47 63.700 63.932 -0.232 1
1 592 . 14 1 1 A 50 50 PRO CB C 47 32.200 32.684 -0.484 1
1 595 . 14 1 1 A 51 51 PHE H H 48 9.270 8.076 1.194 1
1 596 . 14 1 1 A 51 51 PHE HA H 48 3.980 4.122 -0.142 1
1 601 . 14 1 1 A 51 51 PHE C C 48 177.100 177.214 -0.114 1
1 602 . 14 1 1 A 51 51 PHE CA C 48 61.400 61.570 -0.170 1
1 603 . 14 1 1 A 51 51 PHE CB C 48 37.900 39.821 -1.921 1
1 606 . 14 1 1 A 51 51 PHE N N 48 121.800 118.733 3.067 1
1 607 . 14 1 1 A 52 52 PHE H H 49 7.440 9.038 -1.598 1
1 608 . 14 1 1 A 52 52 PHE HA H 49 4.560 4.602 -0.042 1
1 616 . 14 1 1 A 52 52 PHE C C 49 176.100 174.666 1.434 1
1 617 . 14 1 1 A 52 52 PHE CA C 49 58.300 57.566 0.734 1
1 618 . 14 1 1 A 52 52 PHE CB C 49 42.000 39.868 2.132 1
1 624 . 14 1 1 A 52 52 PHE N N 49 114.500 114.108 0.392 1
1 625 . 14 1 1 A 53 53 GLU H H 50 8.590 8.140 0.450 1
1 626 . 14 1 1 A 53 53 GLU HA H 50 3.780 4.354 -0.574 1
1 631 . 14 1 1 A 53 53 GLU C C 50 175.000 174.691 0.309 1
1 632 . 14 1 1 A 53 53 GLU CA C 50 57.300 57.360 -0.060 1
1 633 . 14 1 1 A 53 53 GLU CB C 50 27.100 27.151 -0.051 1
1 635 . 14 1 1 A 53 53 GLU N N 50 120.300 116.387 3.913 1
1 636 . 14 1 1 A 54 54 SER H H 51 7.100 7.607 -0.507 1
1 637 . 14 1 1 A 54 54 SER HA H 51 4.910 4.753 0.157 1
1 640 . 14 1 1 A 54 54 SER CA C 51 56.500 56.433 0.067 1
1 641 . 14 1 1 A 54 54 SER CB C 51 66.100 65.027 1.073 1
1 642 . 14 1 1 A 54 54 SER N N 51 110.300 114.338 -4.038 1
1 643 . 14 1 1 A 55 55 SER HA H 52 4.550 4.380 0.170 1
1 646 . 14 1 1 A 55 55 SER C C 52 173.500 174.520 -1.020 1
1 647 . 14 1 1 A 55 55 SER CA C 52 56.700 59.484 -2.784 1
1 648 . 14 1 1 A 55 55 SER CB C 52 62.100 63.519 -1.419 1
1 649 . 14 1 1 A 56 56 VAL H H 53 7.590 6.934 0.656 1
1 650 . 14 1 1 A 56 56 VAL HA H 53 4.900 4.459 0.441 1
1 658 . 14 1 1 A 56 56 VAL C C 53 176.800 175.874 0.926 1
1 659 . 14 1 1 A 56 56 VAL CA C 53 61.300 60.013 1.287 1
1 660 . 14 1 1 A 56 56 VAL CB C 53 36.200 34.699 1.501 1
1 663 . 14 1 1 A 56 56 VAL N N 53 117.400 117.088 0.312 1
1 664 . 14 1 1 A 57 57 LEU H H 54 8.690 8.982 -0.292 1
1 665 . 14 1 1 A 57 57 LEU HA H 54 3.930 4.453 -0.523 1
1 675 . 14 1 1 A 57 57 LEU C C 54 179.500 178.289 1.211 1
1 676 . 14 1 1 A 57 57 LEU CA C 54 60.000 55.746 4.254 1
1 677 . 14 1 1 A 57 57 LEU CB C 54 40.800 42.337 -1.537 1
1 681 . 14 1 1 A 57 57 LEU N N 54 121.100 126.144 -5.044 1
1 682 . 14 1 1 A 58 58 SER H H 55 9.750 7.771 1.979 1
1 683 . 14 1 1 A 58 58 SER HA H 55 3.800 4.551 -0.751 1
1 686 . 14 1 1 A 58 58 SER C C 55 174.100 174.830 -0.730 1
1 687 . 14 1 1 A 58 58 SER CA C 55 61.600 60.348 1.252 1
1 688 . 14 1 1 A 58 58 SER CB C 55 61.900 63.134 -1.234 1
1 689 . 14 1 1 A 58 58 SER N N 55 113.400 114.066 -0.666 1
1 690 . 14 1 1 A 59 59 ARG H H 56 7.510 7.719 -0.209 1
1 691 . 14 1 1 A 59 59 ARG HA H 56 4.560 4.530 0.030 1
1 698 . 14 1 1 A 59 59 ARG C C 56 177.500 175.273 2.227 1
1 699 . 14 1 1 A 59 59 ARG CA C 56 55.400 55.123 0.277 1
1 700 . 14 1 1 A 59 59 ARG CB C 56 30.400 29.585 0.815 1
1 703 . 14 1 1 A 59 59 ARG N N 56 118.400 122.234 -3.834 1
1 704 . 14 1 1 A 60 60 GLY H H 57 8.550 7.925 0.625 1
1 705 . 14 1 1 A 60 60 GLY HA2 H 57 4.020 4.305 -0.285 1
1 706 . 14 1 1 A 60 60 GLY HA3 H 57 4.020 4.326 -0.306 1
1 707 . 14 1 1 A 60 60 GLY C C 57 171.200 172.298 -1.098 1
1 708 . 14 1 1 A 60 60 GLY CA C 57 45.400 44.341 1.059 1
1 709 . 14 1 1 A 60 60 GLY N N 57 108.600 109.277 -0.677 1
1 710 . 14 1 1 A 61 61 LEU H H 58 7.740 8.849 -1.109 1
1 711 . 14 1 1 A 61 61 LEU HA H 58 4.640 4.912 -0.272 1
1 721 . 14 1 1 A 61 61 LEU C C 58 177.000 176.197 0.803 1
1 722 . 14 1 1 A 61 61 LEU CA C 58 54.200 53.607 0.593 1
1 723 . 14 1 1 A 61 61 LEU CB C 58 43.700 44.020 -0.320 1
1 727 . 14 1 1 A 61 61 LEU N N 58 119.100 121.715 -2.615 1
1 728 . 14 1 1 A 62 62 ILE H H 59 8.780 8.458 0.322 1
1 729 . 14 1 1 A 62 62 ILE HA H 59 4.660 4.665 -0.005 1
1 739 . 14 1 1 A 62 62 ILE C C 59 175.500 174.998 0.502 1
1 740 . 14 1 1 A 62 62 ILE CA C 59 60.600 60.506 0.094 1
1 741 . 14 1 1 A 62 62 ILE CB C 59 38.700 38.364 0.336 1
1 745 . 14 1 1 A 62 62 ILE N N 59 126.500 123.362 3.138 1
1 746 . 14 1 1 A 63 63 ALA H H 60 9.110 9.247 -0.137 1
1 747 . 14 1 1 A 63 63 ALA HA H 60 4.590 5.068 -0.478 1
1 751 . 14 1 1 A 63 63 ALA C C 60 175.000 174.948 0.052 1
1 752 . 14 1 1 A 63 63 ALA CA C 60 51.300 50.910 0.390 1
1 753 . 14 1 1 A 63 63 ALA CB C 60 23.100 23.048 0.052 1
1 754 . 14 1 1 A 63 63 ALA N N 60 129.300 128.654 0.646 1
1 755 . 14 1 1 A 64 64 GLU H H 61 8.460 8.776 -0.316 1
1 756 . 14 1 1 A 64 64 GLU HA H 61 5.070 4.819 0.251 1
1 761 . 14 1 1 A 64 64 GLU C C 61 176.000 176.323 -0.323 1
1 762 . 14 1 1 A 64 64 GLU CA C 61 55.100 56.021 -0.921 1
1 763 . 14 1 1 A 64 64 GLU CB C 61 31.200 31.210 -0.010 1
1 765 . 14 1 1 A 64 64 GLU N N 61 121.500 122.710 -1.210 1
1 766 . 14 1 1 A 65 65 HIS H H 62 9.310 8.667 0.643 1
1 767 . 14 1 1 A 65 65 HIS HA H 62 4.740 4.395 0.345 1
1 772 . 14 1 1 A 65 65 HIS CA C 62 56.400 58.219 -1.819 1
1 773 . 14 1 1 A 65 65 HIS CB C 62 32.600 30.436 2.164 1
1 776 . 14 1 1 A 65 65 HIS N N 62 123.500 125.839 -2.339 1
1 777 . 14 1 1 A 66 66 GLN HA H 63 3.870 4.557 -0.687 1
1 784 . 14 1 1 A 66 66 GLN C C 63 176.000 176.222 -0.222 1
1 785 . 14 1 1 A 66 66 GLN CA C 63 56.600 54.892 1.708 1
1 786 . 14 1 1 A 66 66 GLN CB C 63 26.800 30.859 -4.059 1
1 790 . 14 1 1 A 67 67 GLY H H 64 8.970 9.089 -0.119 1
1 791 . 14 1 1 A 67 67 GLY HA2 H 64 3.680 4.054 -0.374 1
1 792 . 14 1 1 A 67 67 GLY HA3 H 64 4.140 4.056 0.084 1
1 793 . 14 1 1 A 67 67 GLY C C 64 173.800 174.078 -0.278 1
1 794 . 14 1 1 A 67 67 GLY CA C 64 45.600 45.632 -0.032 1
1 795 . 14 1 1 A 67 67 GLY N N 64 104.200 114.983 -10.783 1
1 796 . 14 1 1 A 68 68 GLU H H 65 7.850 8.176 -0.326 1
1 797 . 14 1 1 A 68 68 GLU HA H 65 4.810 4.536 0.274 1
1 802 . 14 1 1 A 68 68 GLU C C 65 174.400 176.088 -1.688 1
1 803 . 14 1 1 A 68 68 GLU CA C 65 54.100 55.834 -1.734 1
1 804 . 14 1 1 A 68 68 GLU CB C 65 34.000 30.660 3.340 1
1 806 . 14 1 1 A 68 68 GLU N N 65 118.800 121.083 -2.283 1
1 807 . 14 1 1 A 69 69 LEU H H 66 8.030 8.334 -0.304 1
1 808 . 14 1 1 A 69 69 LEU HA H 66 4.920 4.971 -0.051 1
1 818 . 14 1 1 A 69 69 LEU C C 66 177.100 176.063 1.037 1
1 819 . 14 1 1 A 69 69 LEU CA C 66 54.300 54.203 0.097 1
1 820 . 14 1 1 A 69 69 LEU CB C 66 44.500 43.068 1.432 1
1 824 . 14 1 1 A 69 69 LEU N N 66 119.000 123.501 -4.501 1
1 825 . 14 1 1 A 70 70 TRP H H 67 8.980 9.479 -0.499 1
1 826 . 14 1 1 A 70 70 TRP HA H 67 5.140 5.513 -0.373 1
1 835 . 14 1 1 A 70 70 TRP C C 67 174.400 174.527 -0.127 1
1 836 . 14 1 1 A 70 70 TRP CA C 67 55.100 55.572 -0.472 1
1 837 . 14 1 1 A 70 70 TRP CB C 67 31.800 33.422 -1.622 1
1 843 . 14 1 1 A 70 70 TRP N N 67 122.200 124.945 -2.745 1
1 845 . 14 1 1 A 71 71 VAL H H 68 9.490 9.404 0.086 1
1 846 . 14 1 1 A 71 71 VAL HA H 68 4.990 5.032 -0.042 1
1 854 . 14 1 1 A 71 71 VAL C C 68 173.000 173.203 -0.203 1
1 855 . 14 1 1 A 71 71 VAL CA C 68 58.500 59.456 -0.956 1
1 856 . 14 1 1 A 71 71 VAL CB C 68 34.300 34.028 0.272 1
1 859 . 14 1 1 A 71 71 VAL N N 68 120.900 120.307 0.593 1
1 860 . 14 1 1 A 72 72 ALA H H 69 8.550 9.452 -0.902 1
1 861 . 14 1 1 A 72 72 ALA HA H 69 5.280 5.459 -0.179 1
1 865 . 14 1 1 A 72 72 ALA C C 69 178.000 175.808 2.192 1
1 866 . 14 1 1 A 72 72 ALA CA C 69 49.200 50.261 -1.061 1
1 867 . 14 1 1 A 72 72 ALA CB C 69 19.700 21.094 -1.394 1
1 868 . 14 1 1 A 72 72 ALA N N 69 130.000 131.326 -1.326 1
1 869 . 14 1 1 A 73 73 SER H H 70 9.470 9.289 0.181 1
1 870 . 14 1 1 A 73 73 SER HA H 70 4.540 4.780 -0.240 1
1 873 . 14 1 1 A 73 73 SER CA C 70 55.700 55.533 0.167 1
1 874 . 14 1 1 A 73 73 SER CB C 70 64.400 64.135 0.265 1
1 875 . 14 1 1 A 73 73 SER N N 70 118.100 119.162 -1.062 1
1 876 . 14 1 1 A 74 74 PRO HA H 71 4.540 4.552 -0.012 1
1 883 . 14 1 1 A 74 74 PRO C C 71 176.700 177.403 -0.703 1
1 884 . 14 1 1 A 74 74 PRO CA C 71 64.000 63.737 0.263 1
1 885 . 14 1 1 A 74 74 PRO CB C 71 32.300 32.225 0.075 1
1 888 . 14 1 1 A 75 75 LEU H H 72 7.850 7.741 0.109 1
1 889 . 14 1 1 A 75 75 LEU HA H 72 4.330 3.853 0.477 1
1 899 . 14 1 1 A 75 75 LEU CA C 72 56.200 57.630 -1.430 1
1 900 . 14 1 1 A 75 75 LEU CB C 72 38.500 41.270 -2.770 1
1 904 . 14 1 1 A 75 75 LEU N N 72 119.300 118.281 1.019 1
1 905 . 14 1 1 A 76 76 LYS HA H 73 4.470 4.613 -0.143 1
1 914 . 14 1 1 A 76 76 LYS C C 73 176.600 176.062 0.538 1
1 915 . 14 1 1 A 76 76 LYS CA C 73 54.600 55.081 -0.481 1
1 916 . 14 1 1 A 76 76 LYS CB C 73 31.700 33.892 -2.192 1
1 920 . 14 1 1 A 77 77 LYS H H 74 7.240 7.648 -0.408 1
1 921 . 14 1 1 A 77 77 LYS HA H 74 4.440 3.952 0.488 1
1 930 . 14 1 1 A 77 77 LYS C C 74 175.500 175.125 0.375 1
1 931 . 14 1 1 A 77 77 LYS CA C 74 57.800 57.139 0.661 1
1 932 . 14 1 1 A 77 77 LYS CB C 74 28.600 30.907 -2.307 1
1 936 . 14 1 1 A 77 77 LYS N N 74 110.900 119.634 -8.734 1
1 937 . 14 1 1 A 78 78 GLN H H 75 8.080 7.694 0.386 1
1 938 . 14 1 1 A 78 78 GLN HA H 75 4.030 4.458 -0.428 1
1 945 . 14 1 1 A 78 78 GLN C C 75 174.500 174.196 0.304 1
1 946 . 14 1 1 A 78 78 GLN CA C 75 58.400 54.850 3.550 1
1 947 . 14 1 1 A 78 78 GLN CB C 75 27.400 30.322 -2.922 1
1 949 . 14 1 1 A 78 78 GLN N N 75 119.100 117.994 1.106 1
1 951 . 14 1 1 A 79 79 ARG H H 76 9.800 8.694 1.106 1
1 952 . 14 1 1 A 79 79 ARG HA H 76 5.310 5.501 -0.191 1
1 960 . 14 1 1 A 79 79 ARG C C 76 175.800 174.881 0.919 1
1 961 . 14 1 1 A 79 79 ARG CA C 76 55.300 54.464 0.836 1
1 962 . 14 1 1 A 79 79 ARG CB C 76 33.100 33.322 -0.222 1
1 965 . 14 1 1 A 79 79 ARG N N 76 122.800 123.979 -1.179 1
1 967 . 14 1 1 A 80 80 PHE H H 77 9.220 9.601 -0.381 1
1 968 . 14 1 1 A 80 80 PHE HA H 77 5.630 5.277 0.353 1
1 976 . 14 1 1 A 80 80 PHE C C 77 175.300 174.670 0.630 1
1 977 . 14 1 1 A 80 80 PHE CA C 77 55.800 56.358 -0.558 1
1 978 . 14 1 1 A 80 80 PHE CB C 77 41.300 42.006 -0.706 1
1 984 . 14 1 1 A 80 80 PHE N N 77 119.400 125.650 -6.250 1
1 985 . 14 1 1 A 81 81 ARG H H 78 9.870 9.406 0.464 1
1 986 . 14 1 1 A 81 81 ARG HA H 78 3.490 3.700 -0.210 1
1 996 . 14 1 1 A 81 81 ARG C C 78 177.400 175.908 1.492 1
1 997 . 14 1 1 A 81 81 ARG CA C 78 58.100 55.192 2.908 1
1 998 . 14 1 1 A 81 81 ARG CB C 78 30.500 30.127 0.373 1
1 1001 . 14 1 1 A 81 81 ARG N N 78 130.100 123.742 6.358 1
1 1004 . 14 1 1 A 82 82 LEU H H 79 7.860 8.453 -0.593 1
1 1005 . 14 1 1 A 82 82 LEU HA H 79 3.790 3.952 -0.162 1
1 1015 . 14 1 1 A 82 82 LEU C C 79 177.500 177.909 -0.409 1
1 1016 . 14 1 1 A 82 82 LEU CA C 79 57.600 55.905 1.695 1
1 1017 . 14 1 1 A 82 82 LEU CB C 79 39.600 41.243 -1.643 1
1 1021 . 14 1 1 A 82 82 LEU N N 79 125.300 127.502 -2.202 1
1 1022 . 14 1 1 A 83 83 SER H H 80 8.000 7.629 0.371 1
1 1023 . 14 1 1 A 83 83 SER HA H 80 4.200 3.845 0.355 1
1 1026 . 14 1 1 A 83 83 SER C C 80 176.600 174.458 2.142 1
1 1027 . 14 1 1 A 83 83 SER CA C 80 60.100 61.384 -1.284 1
1 1028 . 14 1 1 A 83 83 SER CB C 80 62.500 62.758 -0.258 1
1 1029 . 14 1 1 A 83 83 SER N N 80 109.700 115.200 -5.500 1
1 1030 . 14 1 1 A 84 84 ASP H H 81 7.100 7.661 -0.561 1
1 1031 . 14 1 1 A 84 84 ASP HA H 81 4.090 4.470 -0.380 1
1 1034 . 14 1 1 A 84 84 ASP C C 81 175.900 175.722 0.178 1
1 1035 . 14 1 1 A 84 84 ASP CA C 81 53.500 55.545 -2.045 1
1 1036 . 14 1 1 A 84 84 ASP CB C 81 41.900 42.980 -1.080 1
1 1037 . 14 1 1 A 84 84 ASP N N 81 117.300 119.402 -2.102 1
1 1038 . 14 1 1 A 85 85 GLY H H 82 8.860 7.299 1.561 1
1 1039 . 14 1 1 A 85 85 GLY HA2 H 82 3.590 4.023 -0.433 1
1 1040 . 14 1 1 A 85 85 GLY HA3 H 82 4.810 4.052 0.758 1
1 1041 . 14 1 1 A 85 85 GLY C C 82 173.700 174.261 -0.561 1
1 1042 . 14 1 1 A 85 85 GLY CA C 82 45.900 45.075 0.825 1
1 1043 . 14 1 1 A 85 85 GLY N N 82 111.300 106.415 4.885 1
1 1044 . 14 1 1 A 86 86 LEU H H 83 7.430 7.434 -0.004 1
1 1045 . 14 1 1 A 86 86 LEU HA H 83 4.290 4.792 -0.502 1
1 1055 . 14 1 1 A 86 86 LEU C C 83 176.600 174.955 1.645 1
1 1056 . 14 1 1 A 86 86 LEU CA C 83 56.200 53.386 2.814 1
1 1057 . 14 1 1 A 86 86 LEU CB C 83 43.100 44.891 -1.791 1
1 1061 . 14 1 1 A 86 86 LEU N N 83 120.800 122.312 -1.512 1
1 1062 . 14 1 1 A 87 87 CYS H H 84 8.080 8.979 -0.899 1
1 1063 . 14 1 1 A 87 87 CYS HA H 84 5.290 4.682 0.608 1
1 1066 . 14 1 1 A 87 87 CYS C C 84 175.300 175.425 -0.125 1
1 1067 . 14 1 1 A 87 87 CYS CA C 84 56.600 57.686 -1.086 1
1 1068 . 14 1 1 A 87 87 CYS CB C 84 27.800 29.502 -1.702 1
1 1069 . 14 1 1 A 87 87 CYS N N 84 126.300 124.634 1.666 1
1 1070 . 14 1 1 A 88 88 MET H H 85 8.760 8.664 0.096 1
1 1071 . 14 1 1 A 88 88 MET HA H 85 3.630 4.275 -0.645 1
1 1079 . 14 1 1 A 88 88 MET C C 85 177.500 177.796 -0.296 1
1 1080 . 14 1 1 A 88 88 MET CA C 85 58.800 58.572 0.228 1
1 1081 . 14 1 1 A 88 88 MET CB C 85 33.800 32.200 1.600 1
1 1084 . 14 1 1 A 88 88 MET N N 85 130.500 125.850 4.650 1
1 1085 . 14 1 1 A 89 89 GLU H H 86 9.160 7.670 1.490 1
1 1086 . 14 1 1 A 89 89 GLU HA H 86 3.770 4.054 -0.284 1
1 1091 . 14 1 1 A 89 89 GLU C C 86 177.500 178.041 -0.541 1
1 1092 . 14 1 1 A 89 89 GLU CA C 86 60.900 58.842 2.058 1
1 1093 . 14 1 1 A 89 89 GLU CB C 86 29.300 29.545 -0.245 1
1 1095 . 14 1 1 A 89 89 GLU N N 86 119.200 119.816 -0.616 1
1 1096 . 14 1 1 A 90 90 ASP H H 87 7.080 7.961 -0.881 1
1 1097 . 14 1 1 A 90 90 ASP HA H 87 4.590 4.704 -0.114 1
1 1100 . 14 1 1 A 90 90 ASP CA C 87 54.700 54.742 -0.042 1
1 1101 . 14 1 1 A 90 90 ASP CB C 87 41.800 40.665 1.135 1
1 1102 . 14 1 1 A 90 90 ASP N N 87 115.800 119.778 -3.978 1
1 1103 . 14 1 1 A 91 91 GLU H H 88 9.340 7.887 1.453 1
1 1104 . 14 1 1 A 91 91 GLU HA H 88 4.290 3.997 0.293 1
1 1109 . 14 1 1 A 91 91 GLU C C 88 178.900 178.701 0.199 1
1 1110 . 14 1 1 A 91 91 GLU CA C 88 59.000 59.939 -0.939 1
1 1111 . 14 1 1 A 91 91 GLU CB C 88 29.100 29.372 -0.272 1
1 1113 . 14 1 1 A 91 91 GLU N N 88 127.400 120.525 6.875 1
1 1114 . 14 1 1 A 92 92 GLN H H 89 8.920 7.815 1.105 1
1 1115 . 14 1 1 A 92 92 GLN HA H 89 4.170 4.167 0.003 1
1 1122 . 14 1 1 A 92 92 GLN C C 89 176.600 176.702 -0.102 1
1 1123 . 14 1 1 A 92 92 GLN CA C 89 57.800 58.900 -1.100 1
1 1124 . 14 1 1 A 92 92 GLN CB C 89 28.400 28.814 -0.414 1
1 1127 . 14 1 1 A 92 92 GLN N N 89 120.400 118.625 1.775 1
1 1129 . 14 1 1 A 93 93 PHE H H 90 8.150 8.197 -0.047 1
1 1130 . 14 1 1 A 93 93 PHE HA H 90 4.430 4.844 -0.414 1
1 1138 . 14 1 1 A 93 93 PHE C C 90 172.600 173.759 -1.159 1
1 1139 . 14 1 1 A 93 93 PHE CA C 90 57.800 56.666 1.134 1
1 1140 . 14 1 1 A 93 93 PHE CB C 90 39.300 39.868 -0.568 1
1 1146 . 14 1 1 A 93 93 PHE N N 90 119.700 119.834 -0.134 1
1 1147 . 14 1 1 A 94 94 SER H H 91 7.020 8.839 -1.819 1
1 1148 . 14 1 1 A 94 94 SER HA H 91 4.870 4.736 0.134 1
1 1152 . 14 1 1 A 94 94 SER C C 91 174.100 173.832 0.268 1
1 1153 . 14 1 1 A 94 94 SER CA C 91 60.900 56.975 3.925 1
1 1154 . 14 1 1 A 94 94 SER CB C 91 63.600 64.839 -1.239 1
1 1155 . 14 1 1 A 94 94 SER N N 91 112.700 122.533 -9.833 1
1 1156 . 14 1 1 A 95 95 VAL H H 92 9.120 7.797 1.323 1
1 1157 . 14 1 1 A 95 95 VAL HA H 92 4.810 4.343 0.467 1
1 1165 . 14 1 1 A 95 95 VAL C C 92 175.700 174.790 0.910 1
1 1166 . 14 1 1 A 95 95 VAL CA C 92 59.200 59.875 -0.675 1
1 1167 . 14 1 1 A 95 95 VAL CB C 92 35.700 33.970 1.730 1
1 1170 . 14 1 1 A 95 95 VAL N N 92 116.900 119.575 -2.675 1
1 1171 . 14 1 1 A 96 96 LYS H H 93 8.390 8.335 0.055 1
1 1172 . 14 1 1 A 96 96 LYS HA H 93 4.010 4.528 -0.518 1
1 1181 . 14 1 1 A 96 96 LYS C C 93 174.800 175.049 -0.249 1
1 1182 . 14 1 1 A 96 96 LYS CA C 93 57.700 55.283 2.417 1
1 1183 . 14 1 1 A 96 96 LYS CB C 93 34.000 33.470 0.530 1
1 1187 . 14 1 1 A 96 96 LYS N N 93 120.300 122.945 -2.645 1
1 1188 . 14 1 1 A 97 97 HIS H H 94 8.030 8.618 -0.588 1
1 1189 . 14 1 1 A 97 97 HIS HA H 94 5.060 5.323 -0.263 1
1 1194 . 14 1 1 A 97 97 HIS C C 94 172.600 172.900 -0.300 1
1 1195 . 14 1 1 A 97 97 HIS CA C 94 54.700 54.428 0.272 1
1 1196 . 14 1 1 A 97 97 HIS CB C 94 31.400 32.434 -1.034 1
1 1199 . 14 1 1 A 97 97 HIS N N 94 121.000 126.804 -5.804 1
1 1200 . 14 1 1 A 98 98 TYR H H 95 7.610 9.529 -1.919 1
1 1201 . 14 1 1 A 98 98 TYR HA H 95 4.410 4.739 -0.329 1
1 1208 . 14 1 1 A 98 98 TYR C C 95 173.600 176.013 -2.413 1
1 1209 . 14 1 1 A 98 98 TYR CA C 95 56.400 56.579 -0.179 1
1 1210 . 14 1 1 A 98 98 TYR CB C 95 40.900 41.112 -0.212 1
1 1215 . 14 1 1 A 98 98 TYR N N 95 121.800 126.055 -4.255 1
1 1216 . 14 1 1 A 99 99 GLU H H 96 8.480 8.732 -0.252 1
1 1217 . 14 1 1 A 99 99 GLU HA H 96 4.420 4.691 -0.271 1
1 1222 . 14 1 1 A 99 99 GLU C C 96 174.300 176.763 -2.463 1
1 1223 . 14 1 1 A 99 99 GLU CA C 96 56.600 56.868 -0.268 1
1 1224 . 14 1 1 A 99 99 GLU CB C 96 30.700 30.347 0.353 1
1 1226 . 14 1 1 A 99 99 GLU N N 96 122.200 122.146 0.054 1
1 1227 . 14 1 1 A 100 100 ALA H H 97 8.420 8.652 -0.232 1
1 1228 . 14 1 1 A 100 100 ALA HA H 97 5.940 5.776 0.164 1
1 1232 . 14 1 1 A 100 100 ALA C C 97 176.100 175.766 0.334 1
1 1233 . 14 1 1 A 100 100 ALA CA C 97 50.400 50.416 -0.016 1
1 1234 . 14 1 1 A 100 100 ALA CB C 97 23.700 23.429 0.271 1
1 1235 . 14 1 1 A 100 100 ALA N N 97 124.100 124.426 -0.326 1
1 1236 . 14 1 1 A 101 101 ARG H H 98 9.000 9.189 -0.189 1
1 1237 . 14 1 1 A 101 101 ARG HA H 98 4.640 5.043 -0.403 1
1 1245 . 14 1 1 A 101 101 ARG C C 98 172.100 173.777 -1.677 1
1 1246 . 14 1 1 A 101 101 ARG CA C 98 54.200 54.255 -0.055 1
1 1247 . 14 1 1 A 101 101 ARG CB C 98 32.800 33.766 -0.966 1
1 1250 . 14 1 1 A 101 101 ARG N N 98 118.400 117.830 0.570 1
1 1252 . 14 1 1 A 102 102 VAL H H 99 8.330 8.471 -0.141 1
1 1253 . 14 1 1 A 102 102 VAL HA H 99 4.720 4.871 -0.151 1
1 1261 . 14 1 1 A 102 102 VAL C C 99 175.200 173.807 1.393 1
1 1262 . 14 1 1 A 102 102 VAL CA C 99 61.100 61.611 -0.511 1
1 1263 . 14 1 1 A 102 102 VAL CB C 99 32.700 33.005 -0.305 1
1 1266 . 14 1 1 A 102 102 VAL N N 99 119.500 122.062 -2.562 1
1 1267 . 14 1 1 A 103 103 LYS H H 100 9.070 9.283 -0.213 1
1 1268 . 14 1 1 A 103 103 LYS HA H 100 4.460 4.630 -0.170 1
1 1277 . 14 1 1 A 103 103 LYS C C 100 175.700 175.348 0.352 1
1 1278 . 14 1 1 A 103 103 LYS CA C 100 54.300 54.939 -0.639 1
1 1279 . 14 1 1 A 103 103 LYS CB C 100 34.800 34.564 0.236 1
1 1283 . 14 1 1 A 103 103 LYS N N 100 130.200 128.417 1.783 1
1 1284 . 14 1 1 A 104 104 ASP H H 101 9.560 9.446 0.114 1
1 1285 . 14 1 1 A 104 104 ASP HA H 101 4.210 4.383 -0.173 1
1 1288 . 14 1 1 A 104 104 ASP C C 101 175.800 176.239 -0.439 1
1 1289 . 14 1 1 A 104 104 ASP CA C 101 55.500 55.322 0.178 1
1 1290 . 14 1 1 A 104 104 ASP CB C 101 39.700 39.320 0.380 1
1 1291 . 14 1 1 A 104 104 ASP N N 101 130.600 128.172 2.428 1
1 1292 . 14 1 1 A 105 105 GLY H H 102 8.260 8.550 -0.290 1
1 1293 . 14 1 1 A 105 105 GLY HA2 H 102 3.450 3.777 -0.327 1
1 1294 . 14 1 1 A 105 105 GLY HA3 H 102 4.170 3.781 0.389 1
1 1295 . 14 1 1 A 105 105 GLY C C 102 173.300 173.664 -0.364 1
1 1296 . 14 1 1 A 105 105 GLY CA C 102 45.300 45.435 -0.135 1
1 1297 . 14 1 1 A 105 105 GLY N N 102 101.900 105.034 -3.134 1
1 1298 . 14 1 1 A 106 106 VAL H H 103 7.900 7.919 -0.019 1
1 1299 . 14 1 1 A 106 106 VAL HA H 103 4.270 4.284 -0.014 1
1 1307 . 14 1 1 A 106 106 VAL C C 103 175.100 174.765 0.335 1
1 1308 . 14 1 1 A 106 106 VAL CA C 103 62.100 61.411 0.689 1
1 1309 . 14 1 1 A 106 106 VAL CB C 103 34.100 33.547 0.553 1
1 1312 . 14 1 1 A 106 106 VAL N N 103 123.800 122.246 1.554 1
1 1313 . 14 1 1 A 107 107 VAL H H 104 9.290 9.237 0.053 1
1 1314 . 14 1 1 A 107 107 VAL HA H 104 4.220 4.315 -0.095 1
1 1322 . 14 1 1 A 107 107 VAL C C 104 174.300 175.217 -0.917 1
1 1323 . 14 1 1 A 107 107 VAL CA C 104 62.700 62.573 0.127 1
1 1324 . 14 1 1 A 107 107 VAL CB C 104 31.500 31.550 -0.050 1
1 1327 . 14 1 1 A 107 107 VAL N N 104 127.300 128.387 -1.087 1
1 1328 . 14 1 1 A 108 108 GLN H H 105 9.410 9.276 0.134 1
1 1329 . 14 1 1 A 108 108 GLN HA H 105 5.720 5.287 0.433 1
1 1336 . 14 1 1 A 108 108 GLN C C 105 174.900 174.676 0.224 1
1 1337 . 14 1 1 A 108 108 GLN CA C 105 53.400 54.511 -1.111 1
1 1338 . 14 1 1 A 108 108 GLN CB C 105 34.600 31.957 2.643 1
1 1341 . 14 1 1 A 108 108 GLN N N 105 126.500 127.150 -0.650 1
1 1343 . 14 1 1 A 109 109 LEU H H 106 8.530 9.526 -0.996 1
1 1344 . 14 1 1 A 109 109 LEU HA H 106 5.760 5.426 0.334 1
1 1354 . 14 1 1 A 109 109 LEU C C 106 176.300 175.278 1.022 1
1 1355 . 14 1 1 A 109 109 LEU CA C 106 52.800 53.380 -0.580 1
1 1356 . 14 1 1 A 109 109 LEU CB C 106 48.900 44.928 3.972 1
1 1360 . 14 1 1 A 109 109 LEU N N 106 118.900 124.907 -6.007 1
1 1361 . 14 1 1 A 110 110 ARG H H 107 8.310 9.306 -0.996 1
1 1362 . 14 1 1 A 110 110 ARG HA H 107 4.230 4.969 -0.739 1
1 1370 . 14 1 1 A 110 110 ARG C C 107 174.800 174.804 -0.004 1
1 1371 . 14 1 1 A 110 110 ARG CA C 107 55.700 53.897 1.803 1
1 1372 . 14 1 1 A 110 110 ARG CB C 107 31.900 32.676 -0.776 1
1 1375 . 14 1 1 A 110 110 ARG N N 107 119.900 123.295 -3.395 1
1 1377 . 14 1 1 A 111 111 GLY H H 108 8.390 8.204 0.186 1
1 1378 . 14 1 1 A 111 111 GLY HA2 H 108 3.880 3.981 -0.101 1
1 1379 . 14 1 1 A 111 111 GLY HA3 H 108 4.130 4.133 -0.003 1
1 1380 . 14 1 1 A 111 111 GLY C C 108 173.500 174.178 -0.678 1
1 1381 . 14 1 1 A 111 111 GLY CA C 108 45.000 45.865 -0.865 1
1 1382 . 14 1 1 A 111 111 GLY N N 108 110.000 112.480 -2.480 1
1 1383 . 14 1 1 A 112 112 GLY H H 109 8.280 8.266 0.014 1
1 1384 . 14 1 1 A 112 112 GLY HA2 H 109 3.850 4.030 -0.180 1
1 1385 . 14 1 1 A 112 112 GLY HA3 H 109 3.950 4.072 -0.122 1
1 1386 . 14 1 1 A 112 112 GLY C C 109 173.200 174.553 -1.353 1
1 1387 . 14 1 1 A 112 112 GLY CA C 109 45.100 45.486 -0.386 1
1 1388 . 14 1 1 A 112 112 GLY N N 109 108.400 108.059 0.341 1
1 10 . 15 1 1 A 5 5 SER H H 2 8.360 8.591 -0.231 1
1 11 . 15 1 1 A 5 5 SER HA H 2 4.400 4.438 -0.038 1
1 14 . 15 1 1 A 5 5 SER C C 2 174.100 173.884 0.216 1
1 15 . 15 1 1 A 5 5 SER CA C 2 58.200 58.001 0.199 1
1 16 . 15 1 1 A 5 5 SER CB C 2 63.700 63.202 0.498 1
1 17 . 15 1 1 A 5 5 SER N N 2 117.000 115.493 1.507 1
1 18 . 15 1 1 A 6 6 GLN H H 3 8.280 8.589 -0.309 1
1 19 . 15 1 1 A 6 6 GLN HA H 3 4.320 5.039 -0.719 1
1 26 . 15 1 1 A 6 6 GLN C C 3 175.500 174.075 1.425 1
1 27 . 15 1 1 A 6 6 GLN CA C 3 55.400 53.983 1.417 1
1 28 . 15 1 1 A 6 6 GLN CB C 3 30.100 31.410 -1.310 1
1 31 . 15 1 1 A 6 6 GLN N N 3 121.800 122.730 -0.930 1
1 33 . 15 1 1 A 7 7 TRP H H 4 8.170 8.724 -0.554 1
1 34 . 15 1 1 A 7 7 TRP HA H 4 4.470 5.128 -0.658 1
1 43 . 15 1 1 A 7 7 TRP C C 4 176.200 175.996 0.204 1
1 44 . 15 1 1 A 7 7 TRP CA C 4 57.600 58.361 -0.761 1
1 45 . 15 1 1 A 7 7 TRP CB C 4 30.300 29.529 0.771 1
1 51 . 15 1 1 A 7 7 TRP N N 4 122.300 125.495 -3.195 1
1 53 . 15 1 1 A 8 8 LYS H H 5 9.370 9.354 0.016 1
1 54 . 15 1 1 A 8 8 LYS HA H 5 4.690 4.729 -0.039 1
1 63 . 15 1 1 A 8 8 LYS C C 5 175.600 174.980 0.620 1
1 64 . 15 1 1 A 8 8 LYS CA C 5 54.200 55.487 -1.287 1
1 65 . 15 1 1 A 8 8 LYS CB C 5 34.700 33.774 0.926 1
1 69 . 15 1 1 A 8 8 LYS N N 5 125.100 125.477 -0.377 1
1 70 . 15 1 1 A 9 9 ASP H H 6 8.730 8.734 -0.004 1
1 71 . 15 1 1 A 9 9 ASP HA H 6 4.500 4.781 -0.281 1
1 74 . 15 1 1 A 9 9 ASP C C 6 176.200 175.704 0.496 1
1 75 . 15 1 1 A 9 9 ASP CA C 6 55.400 53.567 1.833 1
1 76 . 15 1 1 A 9 9 ASP CB C 6 40.700 40.298 0.402 1
1 77 . 15 1 1 A 9 9 ASP N N 6 125.400 124.848 0.552 1
1 78 . 15 1 1 A 10 10 ILE H H 7 9.300 8.840 0.460 1
1 79 . 15 1 1 A 10 10 ILE HA H 7 4.300 4.064 0.236 1
1 89 . 15 1 1 A 10 10 ILE C C 7 175.500 175.840 -0.340 1
1 90 . 15 1 1 A 10 10 ILE CA C 7 60.000 63.299 -3.299 1
1 91 . 15 1 1 A 10 10 ILE CB C 7 37.700 38.154 -0.454 1
1 95 . 15 1 1 A 10 10 ILE N N 7 122.900 127.669 -4.769 1
1 96 . 15 1 1 A 11 11 CYS H H 8 7.510 7.763 -0.253 1
1 97 . 15 1 1 A 11 11 CYS HA H 8 4.880 4.830 0.050 1
1 100 . 15 1 1 A 11 11 CYS C C 8 172.300 172.838 -0.538 1
1 101 . 15 1 1 A 11 11 CYS CA C 8 55.700 58.096 -2.396 1
1 102 . 15 1 1 A 11 11 CYS CB C 8 28.800 31.945 -3.145 1
1 103 . 15 1 1 A 11 11 CYS N N 8 111.400 117.014 -5.614 1
1 104 . 15 1 1 A 12 12 LYS H H 9 8.920 8.651 0.269 1
1 105 . 15 1 1 A 12 12 LYS HA H 9 4.880 4.672 0.208 1
1 114 . 15 1 1 A 12 12 LYS C C 9 179.400 178.098 1.302 1
1 115 . 15 1 1 A 12 12 LYS CA C 9 55.700 54.632 1.068 1
1 116 . 15 1 1 A 12 12 LYS CB C 9 32.100 34.357 -2.257 1
1 120 . 15 1 1 A 12 12 LYS N N 9 120.100 120.417 -0.317 1
1 121 . 15 1 1 A 13 13 ILE H H 10 8.640 9.167 -0.527 1
1 122 . 15 1 1 A 13 13 ILE HA H 10 3.990 4.079 -0.089 1
1 132 . 15 1 1 A 13 13 ILE C C 10 174.900 177.787 -2.887 1
1 133 . 15 1 1 A 13 13 ILE CA C 10 61.000 63.236 -2.236 1
1 134 . 15 1 1 A 13 13 ILE CB C 10 37.800 38.130 -0.330 1
1 138 . 15 1 1 A 13 13 ILE N N 10 123.700 124.797 -1.097 1
1 139 . 15 1 1 A 14 14 ASP H H 11 7.600 8.179 -0.579 1
1 140 . 15 1 1 A 14 14 ASP HA H 11 4.350 4.535 -0.185 1
1 143 . 15 1 1 A 14 14 ASP C C 11 176.500 177.356 -0.856 1
1 144 . 15 1 1 A 14 14 ASP CA C 11 55.400 57.012 -1.612 1
1 145 . 15 1 1 A 14 14 ASP CB C 11 40.400 40.639 -0.239 1
1 146 . 15 1 1 A 14 14 ASP N N 11 115.800 121.063 -5.263 1
1 147 . 15 1 1 A 15 15 ASP H H 12 7.600 7.872 -0.272 1
1 148 . 15 1 1 A 15 15 ASP HA H 12 4.490 4.604 -0.114 1
1 151 . 15 1 1 A 15 15 ASP C C 12 175.600 175.725 -0.125 1
1 152 . 15 1 1 A 15 15 ASP CA C 12 55.500 55.720 -0.220 1
1 153 . 15 1 1 A 15 15 ASP CB C 12 40.900 41.878 -0.978 1
1 154 . 15 1 1 A 15 15 ASP N N 12 116.800 117.706 -0.906 1
1 155 . 15 1 1 A 16 16 ILE H H 13 7.700 7.587 0.113 1
1 156 . 15 1 1 A 16 16 ILE HA H 13 4.000 4.524 -0.524 1
1 166 . 15 1 1 A 16 16 ILE C C 13 174.100 175.254 -1.154 1
1 167 . 15 1 1 A 16 16 ILE CA C 13 60.500 60.069 0.431 1
1 168 . 15 1 1 A 16 16 ILE CB C 13 38.200 39.140 -0.940 1
1 172 . 15 1 1 A 16 16 ILE N N 13 120.900 118.940 1.960 1
1 173 . 15 1 1 A 17 17 LEU H H 14 7.970 8.718 -0.748 1
1 174 . 15 1 1 A 17 17 LEU HA H 14 4.370 4.754 -0.384 1
1 184 . 15 1 1 A 17 17 LEU CA C 14 53.800 52.923 0.877 1
1 185 . 15 1 1 A 17 17 LEU CB C 14 40.500 41.448 -0.948 1
1 189 . 15 1 1 A 17 17 LEU N N 14 127.800 128.595 -0.795 1
1 190 . 15 1 1 A 18 18 PRO HA H 15 4.080 4.395 -0.315 1
1 197 . 15 1 1 A 18 18 PRO C C 15 175.700 176.959 -1.259 1
1 198 . 15 1 1 A 18 18 PRO CA C 15 64.300 63.860 0.440 1
1 199 . 15 1 1 A 18 18 PRO CB C 15 31.600 31.891 -0.291 1
1 202 . 15 1 1 A 19 19 GLU H H 16 8.930 8.749 0.181 1
1 203 . 15 1 1 A 19 19 GLU HA H 16 3.660 3.882 -0.222 1
1 208 . 15 1 1 A 19 19 GLU C C 16 175.500 175.614 -0.114 1
1 209 . 15 1 1 A 19 19 GLU CA C 16 58.300 57.434 0.866 1
1 210 . 15 1 1 A 19 19 GLU CB C 16 27.300 28.378 -1.078 1
1 212 . 15 1 1 A 19 19 GLU N N 16 113.700 116.805 -3.105 1
1 213 . 15 1 1 A 20 20 THR H H 17 7.790 7.292 0.498 1
1 214 . 15 1 1 A 20 20 THR HA H 17 5.080 5.130 -0.050 1
1 220 . 15 1 1 A 20 20 THR C C 17 172.100 173.303 -1.203 1
1 221 . 15 1 1 A 20 20 THR CA C 17 60.700 59.673 1.027 1
1 222 . 15 1 1 A 20 20 THR CB C 17 73.100 72.587 0.513 1
1 224 . 15 1 1 A 20 20 THR N N 17 110.000 108.784 1.216 1
1 225 . 15 1 1 A 21 21 GLY H H 18 8.080 8.541 -0.461 1
1 226 . 15 1 1 A 21 21 GLY HA2 H 18 3.070 4.061 -0.991 1
1 227 . 15 1 1 A 21 21 GLY HA3 H 18 5.270 4.214 1.056 1
1 228 . 15 1 1 A 21 21 GLY C C 18 173.400 172.077 1.323 1
1 229 . 15 1 1 A 21 21 GLY CA C 18 44.600 44.022 0.578 1
1 230 . 15 1 1 A 21 21 GLY N N 18 103.700 108.593 -4.893 1
1 231 . 15 1 1 A 22 22 VAL H H 19 8.520 8.862 -0.342 1
1 232 . 15 1 1 A 22 22 VAL HA H 19 4.570 4.948 -0.378 1
1 240 . 15 1 1 A 22 22 VAL C C 19 172.900 174.201 -1.301 1
1 241 . 15 1 1 A 22 22 VAL CA C 19 58.900 58.727 0.173 1
1 242 . 15 1 1 A 22 22 VAL CB C 19 35.900 35.613 0.287 1
1 245 . 15 1 1 A 22 22 VAL N N 19 112.900 117.512 -4.612 1
1 246 . 15 1 1 A 23 23 CYS H H 20 8.290 8.614 -0.324 1
1 247 . 15 1 1 A 23 23 CYS HA H 20 5.250 5.349 -0.099 1
1 250 . 15 1 1 A 23 23 CYS C C 20 173.500 173.911 -0.411 1
1 251 . 15 1 1 A 23 23 CYS CA C 20 56.300 56.981 -0.681 1
1 252 . 15 1 1 A 23 23 CYS CB C 20 27.600 29.012 -1.412 1
1 253 . 15 1 1 A 23 23 CYS N N 20 120.700 120.196 0.504 1
1 254 . 15 1 1 A 24 24 ALA H H 21 9.590 9.635 -0.045 1
1 255 . 15 1 1 A 24 24 ALA HA H 21 4.580 5.189 -0.609 1
1 259 . 15 1 1 A 24 24 ALA C C 21 174.400 175.723 -1.323 1
1 260 . 15 1 1 A 24 24 ALA CA C 21 50.200 50.485 -0.285 1
1 261 . 15 1 1 A 24 24 ALA CB C 21 23.400 23.729 -0.329 1
1 262 . 15 1 1 A 24 24 ALA N N 21 132.500 126.433 6.067 1
1 263 . 15 1 1 A 25 25 LEU H H 22 8.100 8.615 -0.515 1
1 264 . 15 1 1 A 25 25 LEU HA H 22 4.860 5.020 -0.160 1
1 274 . 15 1 1 A 25 25 LEU C C 22 175.800 174.451 1.349 1
1 275 . 15 1 1 A 25 25 LEU CA C 22 53.800 53.612 0.188 1
1 276 . 15 1 1 A 25 25 LEU CB C 22 43.600 43.235 0.365 1
1 280 . 15 1 1 A 25 25 LEU N N 22 120.700 120.706 -0.006 1
1 281 . 15 1 1 A 26 26 LEU H H 23 8.660 8.853 -0.193 1
1 282 . 15 1 1 A 26 26 LEU HA H 23 4.410 4.599 -0.189 1
1 292 . 15 1 1 A 26 26 LEU C C 23 176.600 176.759 -0.159 1
1 293 . 15 1 1 A 26 26 LEU CA C 23 53.100 53.357 -0.257 1
1 294 . 15 1 1 A 26 26 LEU CB C 23 43.400 43.139 0.261 1
1 298 . 15 1 1 A 26 26 LEU N N 23 125.800 125.860 -0.060 1
1 299 . 15 1 1 A 27 27 GLY H H 24 8.910 8.888 0.022 1
1 300 . 15 1 1 A 27 27 GLY HA2 H 24 3.560 3.802 -0.242 1
1 301 . 15 1 1 A 27 27 GLY HA3 H 24 4.000 3.813 0.187 1
1 302 . 15 1 1 A 27 27 GLY C C 24 173.800 174.244 -0.444 1
1 303 . 15 1 1 A 27 27 GLY CA C 24 47.300 47.312 -0.012 1
1 304 . 15 1 1 A 27 27 GLY N N 24 118.300 116.106 2.194 1
1 305 . 15 1 1 A 28 28 ASP H H 25 8.800 8.648 0.152 1
1 306 . 15 1 1 A 28 28 ASP HA H 25 4.690 4.713 -0.023 1
1 309 . 15 1 1 A 28 28 ASP C C 25 176.100 175.396 0.704 1
1 310 . 15 1 1 A 28 28 ASP CA C 25 53.900 53.782 0.118 1
1 311 . 15 1 1 A 28 28 ASP CB C 25 41.300 41.930 -0.630 1
1 312 . 15 1 1 A 28 28 ASP N N 25 126.600 126.013 0.587 1
1 313 . 15 1 1 A 29 29 GLU H H 26 8.100 8.010 0.090 1
1 314 . 15 1 1 A 29 29 GLU HA H 26 4.440 4.421 0.019 1
1 319 . 15 1 1 A 29 29 GLU C C 26 174.800 175.341 -0.541 1
1 320 . 15 1 1 A 29 29 GLU CA C 26 55.800 56.109 -0.309 1
1 321 . 15 1 1 A 29 29 GLU CB C 26 30.600 30.629 -0.029 1
1 323 . 15 1 1 A 29 29 GLU N N 26 120.400 120.124 0.276 1
1 324 . 15 1 1 A 30 30 GLN H H 27 8.640 8.669 -0.029 1
1 325 . 15 1 1 A 30 30 GLN HA H 27 4.510 4.659 -0.149 1
1 332 . 15 1 1 A 30 30 GLN C C 27 175.800 174.638 1.162 1
1 333 . 15 1 1 A 30 30 GLN CA C 27 55.700 55.686 0.014 1
1 334 . 15 1 1 A 30 30 GLN CB C 27 29.300 29.118 0.182 1
1 336 . 15 1 1 A 30 30 GLN N N 27 121.300 124.534 -3.234 1
1 338 . 15 1 1 A 31 31 VAL H H 28 9.280 8.990 0.290 1
1 339 . 15 1 1 A 31 31 VAL HA H 28 4.040 4.705 -0.665 1
1 347 . 15 1 1 A 31 31 VAL C C 28 172.900 174.403 -1.503 1
1 348 . 15 1 1 A 31 31 VAL CA C 28 61.900 61.129 0.771 1
1 349 . 15 1 1 A 31 31 VAL CB C 28 34.800 34.077 0.723 1
1 352 . 15 1 1 A 31 31 VAL N N 28 128.600 125.714 2.886 1
1 353 . 15 1 1 A 32 32 ALA H H 29 9.440 9.472 -0.032 1
1 354 . 15 1 1 A 32 32 ALA HA H 29 4.680 5.074 -0.394 1
1 358 . 15 1 1 A 32 32 ALA C C 29 175.200 175.418 -0.218 1
1 359 . 15 1 1 A 32 32 ALA CA C 29 50.500 50.175 0.325 1
1 360 . 15 1 1 A 32 32 ALA CB C 29 20.200 20.479 -0.279 1
1 361 . 15 1 1 A 32 32 ALA N N 29 130.400 128.740 1.660 1
1 362 . 15 1 1 A 33 33 ILE H H 30 8.590 8.865 -0.275 1
1 363 . 15 1 1 A 33 33 ILE HA H 30 4.680 4.589 0.091 1
1 373 . 15 1 1 A 33 33 ILE C C 30 174.800 175.079 -0.279 1
1 374 . 15 1 1 A 33 33 ILE CA C 30 59.900 60.201 -0.301 1
1 375 . 15 1 1 A 33 33 ILE CB C 30 39.300 37.665 1.635 1
1 379 . 15 1 1 A 33 33 ILE N N 30 120.600 123.715 -3.115 1
1 380 . 15 1 1 A 34 34 PHE H H 31 9.430 9.338 0.092 1
1 381 . 15 1 1 A 34 34 PHE HA H 31 5.070 5.101 -0.031 1
1 386 . 15 1 1 A 34 34 PHE C C 31 174.800 174.603 0.197 1
1 387 . 15 1 1 A 34 34 PHE CA C 31 57.200 57.008 0.192 1
1 388 . 15 1 1 A 34 34 PHE CB C 31 43.400 41.304 2.096 1
1 391 . 15 1 1 A 34 34 PHE N N 31 121.800 126.803 -5.003 1
1 392 . 15 1 1 A 35 35 ARG H H 32 8.450 9.110 -0.660 1
1 393 . 15 1 1 A 35 35 ARG HA H 32 5.470 4.914 0.556 1
1 403 . 15 1 1 A 35 35 ARG CA C 32 52.000 52.590 -0.590 1
1 404 . 15 1 1 A 35 35 ARG CB C 32 33.200 31.444 1.756 1
1 407 . 15 1 1 A 35 35 ARG N N 32 123.000 124.365 -1.365 1
1 410 . 15 1 1 A 36 36 PRO HA H 33 3.910 4.582 -0.672 1
1 417 . 15 1 1 A 36 36 PRO C C 33 174.300 175.841 -1.541 1
1 418 . 15 1 1 A 36 36 PRO CA C 33 64.600 63.996 0.604 1
1 419 . 15 1 1 A 36 36 PRO CB C 33 32.800 31.991 0.809 1
1 422 . 15 1 1 A 37 37 TYR H H 34 9.000 7.753 1.247 1
1 423 . 15 1 1 A 37 37 TYR HA H 34 5.250 4.700 0.550 1
1 430 . 15 1 1 A 37 37 TYR C C 34 175.000 176.250 -1.250 1
1 431 . 15 1 1 A 37 37 TYR CA C 34 54.200 57.471 -3.271 1
1 432 . 15 1 1 A 37 37 TYR CB C 34 41.000 40.407 0.593 1
1 437 . 15 1 1 A 37 37 TYR N N 34 115.500 118.820 -3.320 1
1 438 . 15 1 1 A 38 38 HIS H H 35 8.700 8.603 0.097 1
1 439 . 15 1 1 A 38 38 HIS HA H 35 4.490 4.515 -0.025 1
1 444 . 15 1 1 A 38 38 HIS C C 35 175.800 175.672 0.128 1
1 445 . 15 1 1 A 38 38 HIS CA C 35 56.400 58.814 -2.414 1
1 446 . 15 1 1 A 38 38 HIS CB C 35 28.600 29.630 -1.030 1
1 449 . 15 1 1 A 38 38 HIS N N 35 119.000 122.438 -3.438 1
1 450 . 15 1 1 A 39 39 SER H H 36 7.890 7.821 0.069 1
1 451 . 15 1 1 A 39 39 SER HA H 36 4.770 4.620 0.150 1
1 454 . 15 1 1 A 39 39 SER C C 36 173.800 174.908 -1.108 1
1 455 . 15 1 1 A 39 39 SER CA C 36 57.000 57.411 -0.411 1
1 456 . 15 1 1 A 39 39 SER CB C 36 64.700 64.585 0.115 1
1 457 . 15 1 1 A 39 39 SER N N 36 115.500 114.932 0.568 1
1 458 . 15 1 1 A 40 40 ASP H H 37 8.540 8.603 -0.063 1
1 459 . 15 1 1 A 40 40 ASP HA H 37 4.540 4.643 -0.103 1
1 462 . 15 1 1 A 40 40 ASP C C 37 174.700 176.078 -1.378 1
1 463 . 15 1 1 A 40 40 ASP CA C 37 53.800 53.808 -0.008 1
1 464 . 15 1 1 A 40 40 ASP CB C 37 39.600 39.804 -0.204 1
1 465 . 15 1 1 A 40 40 ASP N N 37 119.400 121.508 -2.108 1
1 466 . 15 1 1 A 41 41 GLN H H 38 7.490 7.666 -0.176 1
1 467 . 15 1 1 A 41 41 GLN HA H 38 4.140 4.342 -0.202 1
1 474 . 15 1 1 A 41 41 GLN C C 38 175.500 175.590 -0.090 1
1 475 . 15 1 1 A 41 41 GLN CA C 38 57.100 55.543 1.557 1
1 476 . 15 1 1 A 41 41 GLN CB C 38 29.400 29.374 0.026 1
1 479 . 15 1 1 A 41 41 GLN N N 38 118.700 120.915 -2.215 1
1 481 . 15 1 1 A 42 42 VAL H H 39 7.800 8.761 -0.961 1
1 482 . 15 1 1 A 42 42 VAL HA H 39 5.600 5.171 0.429 1
1 490 . 15 1 1 A 42 42 VAL C C 39 174.200 174.304 -0.104 1
1 491 . 15 1 1 A 42 42 VAL CA C 39 58.200 59.547 -1.347 1
1 492 . 15 1 1 A 42 42 VAL CB C 39 36.500 34.875 1.625 1
1 495 . 15 1 1 A 42 42 VAL N N 39 116.100 120.405 -4.305 1
1 496 . 15 1 1 A 43 43 PHE H H 40 8.480 9.510 -1.030 1
1 497 . 15 1 1 A 43 43 PHE HA H 40 4.870 5.253 -0.383 1
1 504 . 15 1 1 A 43 43 PHE C C 40 173.900 174.576 -0.676 1
1 505 . 15 1 1 A 43 43 PHE CA C 40 56.800 56.237 0.563 1
1 506 . 15 1 1 A 43 43 PHE CB C 40 45.300 43.063 2.237 1
1 511 . 15 1 1 A 43 43 PHE N N 40 117.200 120.623 -3.423 1
1 512 . 15 1 1 A 44 44 ALA H H 41 9.520 8.943 0.577 1
1 513 . 15 1 1 A 44 44 ALA HA H 41 6.200 5.787 0.413 1
1 517 . 15 1 1 A 44 44 ALA C C 41 176.300 176.251 0.049 1
1 518 . 15 1 1 A 44 44 ALA CA C 41 50.900 50.135 0.765 1
1 519 . 15 1 1 A 44 44 ALA CB C 41 24.100 22.067 2.033 1
1 520 . 15 1 1 A 44 44 ALA N N 41 125.100 124.345 0.755 1
1 521 . 15 1 1 A 45 45 ILE H H 42 8.970 8.873 0.097 1
1 522 . 15 1 1 A 45 45 ILE HA H 42 5.580 5.086 0.494 1
1 532 . 15 1 1 A 45 45 ILE C C 42 174.600 175.065 -0.465 1
1 533 . 15 1 1 A 45 45 ILE CA C 42 59.300 58.621 0.679 1
1 534 . 15 1 1 A 45 45 ILE CB C 42 44.300 42.202 2.098 1
1 538 . 15 1 1 A 45 45 ILE N N 42 117.100 118.606 -1.506 1
1 539 . 15 1 1 A 46 46 SER H H 43 8.460 8.656 -0.196 1
1 540 . 15 1 1 A 46 46 SER HA H 43 4.350 4.624 -0.274 1
1 543 . 15 1 1 A 46 46 SER C C 43 172.100 176.004 -3.904 1
1 544 . 15 1 1 A 46 46 SER CA C 43 59.500 59.837 -0.337 1
1 545 . 15 1 1 A 46 46 SER CB C 43 64.900 63.302 1.598 1
1 546 . 15 1 1 A 46 46 SER N N 43 112.400 119.256 -6.856 1
1 547 . 15 1 1 A 47 47 ASN H H 44 7.990 8.700 -0.710 1
1 548 . 15 1 1 A 47 47 ASN HA H 44 4.940 4.571 0.369 1
1 553 . 15 1 1 A 47 47 ASN C C 44 175.800 175.121 0.679 1
1 554 . 15 1 1 A 47 47 ASN CA C 44 53.800 54.214 -0.414 1
1 555 . 15 1 1 A 47 47 ASN CB C 44 40.600 38.469 2.131 1
1 556 . 15 1 1 A 47 47 ASN N N 44 117.800 121.456 -3.656 1
1 558 . 15 1 1 A 48 48 ILE H H 45 8.190 7.946 0.244 1
1 559 . 15 1 1 A 48 48 ILE HA H 45 4.100 4.523 -0.423 1
1 569 . 15 1 1 A 48 48 ILE C C 45 175.200 174.829 0.371 1
1 570 . 15 1 1 A 48 48 ILE CA C 45 59.400 60.526 -1.126 1
1 571 . 15 1 1 A 48 48 ILE CB C 45 36.500 39.018 -2.518 1
1 575 . 15 1 1 A 48 48 ILE N N 45 118.300 121.157 -2.857 1
1 576 . 15 1 1 A 49 49 ASP H H 46 8.720 8.884 -0.164 1
1 577 . 15 1 1 A 49 49 ASP HA H 46 4.530 5.024 -0.494 1
1 580 . 15 1 1 A 49 49 ASP CA C 46 51.400 52.420 -1.020 1
1 581 . 15 1 1 A 49 49 ASP CB C 46 42.900 40.869 2.031 1
1 582 . 15 1 1 A 49 49 ASP N N 46 128.600 129.433 -0.833 1
1 583 . 15 1 1 A 50 50 PRO HA H 47 4.500 4.395 0.105 1
1 590 . 15 1 1 A 50 50 PRO C C 47 177.800 178.180 -0.380 1
1 591 . 15 1 1 A 50 50 PRO CA C 47 63.700 65.410 -1.710 1
1 592 . 15 1 1 A 50 50 PRO CB C 47 32.200 31.775 0.425 1
1 595 . 15 1 1 A 51 51 PHE H H 48 9.270 7.975 1.295 1
1 596 . 15 1 1 A 51 51 PHE HA H 48 3.980 4.190 -0.210 1
1 601 . 15 1 1 A 51 51 PHE C C 48 177.100 177.848 -0.748 1
1 602 . 15 1 1 A 51 51 PHE CA C 48 61.400 61.391 0.009 1
1 603 . 15 1 1 A 51 51 PHE CB C 48 37.900 39.343 -1.443 1
1 606 . 15 1 1 A 51 51 PHE N N 48 121.800 118.417 3.383 1
1 607 . 15 1 1 A 52 52 PHE H H 49 7.440 8.481 -1.041 1
1 608 . 15 1 1 A 52 52 PHE HA H 49 4.560 4.228 0.332 1
1 616 . 15 1 1 A 52 52 PHE C C 49 176.100 175.344 0.756 1
1 617 . 15 1 1 A 52 52 PHE CA C 49 58.300 61.059 -2.759 1
1 618 . 15 1 1 A 52 52 PHE CB C 49 42.000 39.697 2.303 1
1 624 . 15 1 1 A 52 52 PHE N N 49 114.500 119.948 -5.448 1
1 625 . 15 1 1 A 53 53 GLU H H 50 8.590 7.928 0.662 1
1 626 . 15 1 1 A 53 53 GLU HA H 50 3.780 4.103 -0.323 1
1 631 . 15 1 1 A 53 53 GLU C C 50 175.000 174.927 0.073 1
1 632 . 15 1 1 A 53 53 GLU CA C 50 57.300 57.242 0.058 1
1 633 . 15 1 1 A 53 53 GLU CB C 50 27.100 27.145 -0.045 1
1 635 . 15 1 1 A 53 53 GLU N N 50 120.300 118.208 2.092 1
1 636 . 15 1 1 A 54 54 SER H H 51 7.100 8.678 -1.578 1
1 637 . 15 1 1 A 54 54 SER HA H 51 4.910 4.781 0.129 1
1 640 . 15 1 1 A 54 54 SER CA C 51 56.500 57.365 -0.865 1
1 641 . 15 1 1 A 54 54 SER CB C 51 66.100 65.616 0.484 1
1 642 . 15 1 1 A 54 54 SER N N 51 110.300 114.714 -4.414 1
1 643 . 15 1 1 A 55 55 SER HA H 52 4.550 4.469 0.081 1
1 646 . 15 1 1 A 55 55 SER C C 52 173.500 174.865 -1.365 1
1 647 . 15 1 1 A 55 55 SER CA C 52 56.700 59.410 -2.710 1
1 648 . 15 1 1 A 55 55 SER CB C 52 62.100 63.501 -1.401 1
1 649 . 15 1 1 A 56 56 VAL H H 53 7.590 7.709 -0.119 1
1 650 . 15 1 1 A 56 56 VAL HA H 53 4.900 4.477 0.423 1
1 658 . 15 1 1 A 56 56 VAL C C 53 176.800 175.897 0.903 1
1 659 . 15 1 1 A 56 56 VAL CA C 53 61.300 59.963 1.337 1
1 660 . 15 1 1 A 56 56 VAL CB C 53 36.200 34.776 1.424 1
1 663 . 15 1 1 A 56 56 VAL N N 53 117.400 117.617 -0.217 1
1 664 . 15 1 1 A 57 57 LEU H H 54 8.690 8.731 -0.041 1
1 665 . 15 1 1 A 57 57 LEU HA H 54 3.930 4.745 -0.815 1
1 675 . 15 1 1 A 57 57 LEU C C 54 179.500 178.241 1.259 1
1 676 . 15 1 1 A 57 57 LEU CA C 54 60.000 55.933 4.067 1
1 677 . 15 1 1 A 57 57 LEU CB C 54 40.800 42.365 -1.565 1
1 681 . 15 1 1 A 57 57 LEU N N 54 121.100 125.939 -4.839 1
1 682 . 15 1 1 A 58 58 SER H H 55 9.750 8.156 1.594 1
1 683 . 15 1 1 A 58 58 SER HA H 55 3.800 4.350 -0.550 1
1 686 . 15 1 1 A 58 58 SER C C 55 174.100 175.353 -1.253 1
1 687 . 15 1 1 A 58 58 SER CA C 55 61.600 61.709 -0.109 1
1 688 . 15 1 1 A 58 58 SER CB C 55 61.900 62.981 -1.081 1
1 689 . 15 1 1 A 58 58 SER N N 55 113.400 115.527 -2.127 1
1 690 . 15 1 1 A 59 59 ARG H H 56 7.510 7.820 -0.310 1
1 691 . 15 1 1 A 59 59 ARG HA H 56 4.560 4.555 0.005 1
1 698 . 15 1 1 A 59 59 ARG C C 56 177.500 175.120 2.380 1
1 699 . 15 1 1 A 59 59 ARG CA C 56 55.400 55.849 -0.449 1
1 700 . 15 1 1 A 59 59 ARG CB C 56 30.400 29.987 0.413 1
1 703 . 15 1 1 A 59 59 ARG N N 56 118.400 117.421 0.979 1
1 704 . 15 1 1 A 60 60 GLY H H 57 8.550 7.928 0.622 1
1 705 . 15 1 1 A 60 60 GLY HA2 H 57 4.020 4.310 -0.290 1
1 706 . 15 1 1 A 60 60 GLY HA3 H 57 4.020 4.322 -0.302 1
1 707 . 15 1 1 A 60 60 GLY C C 57 171.200 172.873 -1.673 1
1 708 . 15 1 1 A 60 60 GLY CA C 57 45.400 44.300 1.100 1
1 709 . 15 1 1 A 60 60 GLY N N 57 108.600 108.103 0.497 1
1 710 . 15 1 1 A 61 61 LEU H H 58 7.740 8.241 -0.501 1
1 711 . 15 1 1 A 61 61 LEU HA H 58 4.640 4.904 -0.264 1
1 721 . 15 1 1 A 61 61 LEU C C 58 177.000 175.868 1.132 1
1 722 . 15 1 1 A 61 61 LEU CA C 58 54.200 53.499 0.701 1
1 723 . 15 1 1 A 61 61 LEU CB C 58 43.700 43.492 0.208 1
1 727 . 15 1 1 A 61 61 LEU N N 58 119.100 117.253 1.847 1
1 728 . 15 1 1 A 62 62 ILE H H 59 8.780 8.601 0.179 1
1 729 . 15 1 1 A 62 62 ILE HA H 59 4.660 4.787 -0.127 1
1 739 . 15 1 1 A 62 62 ILE C C 59 175.500 174.809 0.691 1
1 740 . 15 1 1 A 62 62 ILE CA C 59 60.600 60.391 0.209 1
1 741 . 15 1 1 A 62 62 ILE CB C 59 38.700 38.726 -0.026 1
1 745 . 15 1 1 A 62 62 ILE N N 59 126.500 121.423 5.077 1
1 746 . 15 1 1 A 63 63 ALA H H 60 9.110 9.362 -0.252 1
1 747 . 15 1 1 A 63 63 ALA HA H 60 4.590 5.117 -0.527 1
1 751 . 15 1 1 A 63 63 ALA C C 60 175.000 175.006 -0.006 1
1 752 . 15 1 1 A 63 63 ALA CA C 60 51.300 50.048 1.252 1
1 753 . 15 1 1 A 63 63 ALA CB C 60 23.100 23.325 -0.225 1
1 754 . 15 1 1 A 63 63 ALA N N 60 129.300 130.026 -0.726 1
1 755 . 15 1 1 A 64 64 GLU H H 61 8.460 8.741 -0.281 1
1 756 . 15 1 1 A 64 64 GLU HA H 61 5.070 4.720 0.350 1
1 761 . 15 1 1 A 64 64 GLU C C 61 176.000 176.152 -0.152 1
1 762 . 15 1 1 A 64 64 GLU CA C 61 55.100 56.291 -1.191 1
1 763 . 15 1 1 A 64 64 GLU CB C 61 31.200 30.312 0.888 1
1 765 . 15 1 1 A 64 64 GLU N N 61 121.500 121.103 0.397 1
1 766 . 15 1 1 A 65 65 HIS H H 62 9.310 9.090 0.220 1
1 767 . 15 1 1 A 65 65 HIS HA H 62 4.740 4.206 0.534 1
1 772 . 15 1 1 A 65 65 HIS CA C 62 56.400 58.961 -2.561 1
1 773 . 15 1 1 A 65 65 HIS CB C 62 32.600 30.416 2.184 1
1 776 . 15 1 1 A 65 65 HIS N N 62 123.500 127.268 -3.768 1
1 777 . 15 1 1 A 66 66 GLN HA H 63 3.870 4.332 -0.462 1
1 784 . 15 1 1 A 66 66 GLN C C 63 176.000 175.852 0.148 1
1 785 . 15 1 1 A 66 66 GLN CA C 63 56.600 54.739 1.861 1
1 786 . 15 1 1 A 66 66 GLN CB C 63 26.800 30.081 -3.281 1
1 790 . 15 1 1 A 67 67 GLY H H 64 8.970 7.824 1.146 1
1 791 . 15 1 1 A 67 67 GLY HA2 H 64 3.680 4.083 -0.403 1
1 792 . 15 1 1 A 67 67 GLY HA3 H 64 4.140 4.085 0.055 1
1 793 . 15 1 1 A 67 67 GLY C C 64 173.800 174.757 -0.957 1
1 794 . 15 1 1 A 67 67 GLY CA C 64 45.600 45.527 0.073 1
1 795 . 15 1 1 A 67 67 GLY N N 64 104.200 106.745 -2.545 1
1 796 . 15 1 1 A 68 68 GLU H H 65 7.850 8.088 -0.238 1
1 797 . 15 1 1 A 68 68 GLU HA H 65 4.810 4.671 0.139 1
1 802 . 15 1 1 A 68 68 GLU C C 65 174.400 176.513 -2.113 1
1 803 . 15 1 1 A 68 68 GLU CA C 65 54.100 55.319 -1.219 1
1 804 . 15 1 1 A 68 68 GLU CB C 65 34.000 30.497 3.503 1
1 806 . 15 1 1 A 68 68 GLU N N 65 118.800 120.370 -1.570 1
1 807 . 15 1 1 A 69 69 LEU H H 66 8.030 8.560 -0.530 1
1 808 . 15 1 1 A 69 69 LEU HA H 66 4.920 4.991 -0.071 1
1 818 . 15 1 1 A 69 69 LEU C C 66 177.100 175.915 1.185 1
1 819 . 15 1 1 A 69 69 LEU CA C 66 54.300 53.717 0.583 1
1 820 . 15 1 1 A 69 69 LEU CB C 66 44.500 42.405 2.095 1
1 824 . 15 1 1 A 69 69 LEU N N 66 119.000 124.683 -5.683 1
1 825 . 15 1 1 A 70 70 TRP H H 67 8.980 9.356 -0.376 1
1 826 . 15 1 1 A 70 70 TRP HA H 67 5.140 5.510 -0.370 1
1 835 . 15 1 1 A 70 70 TRP C C 67 174.400 175.492 -1.092 1
1 836 . 15 1 1 A 70 70 TRP CA C 67 55.100 55.206 -0.106 1
1 837 . 15 1 1 A 70 70 TRP CB C 67 31.800 32.026 -0.226 1
1 843 . 15 1 1 A 70 70 TRP N N 67 122.200 125.609 -3.409 1
1 845 . 15 1 1 A 71 71 VAL H H 68 9.490 9.140 0.350 1
1 846 . 15 1 1 A 71 71 VAL HA H 68 4.990 4.938 0.052 1
1 854 . 15 1 1 A 71 71 VAL C C 68 173.000 174.042 -1.042 1
1 855 . 15 1 1 A 71 71 VAL CA C 68 58.500 59.890 -1.390 1
1 856 . 15 1 1 A 71 71 VAL CB C 68 34.300 33.648 0.652 1
1 859 . 15 1 1 A 71 71 VAL N N 68 120.900 124.243 -3.343 1
1 860 . 15 1 1 A 72 72 ALA H H 69 8.550 9.122 -0.572 1
1 861 . 15 1 1 A 72 72 ALA HA H 69 5.280 5.778 -0.498 1
1 865 . 15 1 1 A 72 72 ALA C C 69 178.000 175.891 2.109 1
1 866 . 15 1 1 A 72 72 ALA CA C 69 49.200 50.518 -1.318 1
1 867 . 15 1 1 A 72 72 ALA CB C 69 19.700 21.745 -2.045 1
1 868 . 15 1 1 A 72 72 ALA N N 69 130.000 130.998 -0.998 1
1 869 . 15 1 1 A 73 73 SER H H 70 9.470 8.547 0.923 1
1 870 . 15 1 1 A 73 73 SER HA H 70 4.540 4.805 -0.265 1
1 873 . 15 1 1 A 73 73 SER CA C 70 55.700 57.193 -1.493 1
1 874 . 15 1 1 A 73 73 SER CB C 70 64.400 63.032 1.368 1
1 875 . 15 1 1 A 73 73 SER N N 70 118.100 121.485 -3.385 1
1 876 . 15 1 1 A 74 74 PRO HA H 71 4.540 4.540 0.000 1
1 883 . 15 1 1 A 74 74 PRO C C 71 176.700 177.195 -0.495 1
1 884 . 15 1 1 A 74 74 PRO CA C 71 64.000 63.695 0.305 1
1 885 . 15 1 1 A 74 74 PRO CB C 71 32.300 31.884 0.416 1
1 888 . 15 1 1 A 75 75 LEU H H 72 7.850 7.995 -0.145 1
1 889 . 15 1 1 A 75 75 LEU HA H 72 4.330 4.217 0.113 1
1 899 . 15 1 1 A 75 75 LEU CA C 72 56.200 56.936 -0.736 1
1 900 . 15 1 1 A 75 75 LEU CB C 72 38.500 41.937 -3.437 1
1 904 . 15 1 1 A 75 75 LEU N N 72 119.300 119.386 -0.086 1
1 905 . 15 1 1 A 76 76 LYS HA H 73 4.470 4.542 -0.072 1
1 914 . 15 1 1 A 76 76 LYS C C 73 176.600 175.240 1.360 1
1 915 . 15 1 1 A 76 76 LYS CA C 73 54.600 55.620 -1.020 1
1 916 . 15 1 1 A 76 76 LYS CB C 73 31.700 32.724 -1.024 1
1 920 . 15 1 1 A 77 77 LYS H H 74 7.240 8.021 -0.781 1
1 921 . 15 1 1 A 77 77 LYS HA H 74 4.440 3.874 0.566 1
1 930 . 15 1 1 A 77 77 LYS C C 74 175.500 175.224 0.276 1
1 931 . 15 1 1 A 77 77 LYS CA C 74 57.800 57.404 0.396 1
1 932 . 15 1 1 A 77 77 LYS CB C 74 28.600 29.369 -0.769 1
1 936 . 15 1 1 A 77 77 LYS N N 74 110.900 116.092 -5.192 1
1 937 . 15 1 1 A 78 78 GLN H H 75 8.080 7.893 0.187 1
1 938 . 15 1 1 A 78 78 GLN HA H 75 4.030 4.221 -0.191 1
1 945 . 15 1 1 A 78 78 GLN C C 75 174.500 175.345 -0.845 1
1 946 . 15 1 1 A 78 78 GLN CA C 75 58.400 56.115 2.285 1
1 947 . 15 1 1 A 78 78 GLN CB C 75 27.400 29.308 -1.908 1
1 949 . 15 1 1 A 78 78 GLN N N 75 119.100 117.248 1.852 1
1 951 . 15 1 1 A 79 79 ARG H H 76 9.800 9.023 0.777 1
1 952 . 15 1 1 A 79 79 ARG HA H 76 5.310 5.277 0.033 1
1 960 . 15 1 1 A 79 79 ARG C C 76 175.800 175.325 0.475 1
1 961 . 15 1 1 A 79 79 ARG CA C 76 55.300 54.860 0.440 1
1 962 . 15 1 1 A 79 79 ARG CB C 76 33.100 32.287 0.813 1
1 965 . 15 1 1 A 79 79 ARG N N 76 122.800 123.695 -0.895 1
1 967 . 15 1 1 A 80 80 PHE H H 77 9.220 9.601 -0.381 1
1 968 . 15 1 1 A 80 80 PHE HA H 77 5.630 4.911 0.719 1
1 976 . 15 1 1 A 80 80 PHE C C 77 175.300 174.243 1.057 1
1 977 . 15 1 1 A 80 80 PHE CA C 77 55.800 56.342 -0.542 1
1 978 . 15 1 1 A 80 80 PHE CB C 77 41.300 42.238 -0.938 1
1 984 . 15 1 1 A 80 80 PHE N N 77 119.400 122.695 -3.295 1
1 985 . 15 1 1 A 81 81 ARG H H 78 9.870 8.873 0.997 1
1 986 . 15 1 1 A 81 81 ARG HA H 78 3.490 3.492 -0.002 1
1 996 . 15 1 1 A 81 81 ARG C C 78 177.400 175.665 1.735 1
1 997 . 15 1 1 A 81 81 ARG CA C 78 58.100 55.072 3.028 1
1 998 . 15 1 1 A 81 81 ARG CB C 78 30.500 29.012 1.488 1
1 1001 . 15 1 1 A 81 81 ARG N N 78 130.100 124.337 5.763 1
1 1004 . 15 1 1 A 82 82 LEU H H 79 7.860 8.201 -0.341 1
1 1005 . 15 1 1 A 82 82 LEU HA H 79 3.790 3.954 -0.164 1
1 1015 . 15 1 1 A 82 82 LEU C C 79 177.500 178.615 -1.115 1
1 1016 . 15 1 1 A 82 82 LEU CA C 79 57.600 57.017 0.583 1
1 1017 . 15 1 1 A 82 82 LEU CB C 79 39.600 41.027 -1.427 1
1 1021 . 15 1 1 A 82 82 LEU N N 79 125.300 126.554 -1.254 1
1 1022 . 15 1 1 A 83 83 SER H H 80 8.000 7.787 0.213 1
1 1023 . 15 1 1 A 83 83 SER HA H 80 4.200 3.521 0.679 1
1 1026 . 15 1 1 A 83 83 SER C C 80 176.600 175.569 1.031 1
1 1027 . 15 1 1 A 83 83 SER CA C 80 60.100 61.224 -1.124 1
1 1028 . 15 1 1 A 83 83 SER CB C 80 62.500 62.774 -0.274 1
1 1029 . 15 1 1 A 83 83 SER N N 80 109.700 114.114 -4.414 1
1 1030 . 15 1 1 A 84 84 ASP H H 81 7.100 8.052 -0.952 1
1 1031 . 15 1 1 A 84 84 ASP HA H 81 4.090 4.608 -0.518 1
1 1034 . 15 1 1 A 84 84 ASP C C 81 175.900 176.389 -0.489 1
1 1035 . 15 1 1 A 84 84 ASP CA C 81 53.500 53.655 -0.155 1
1 1036 . 15 1 1 A 84 84 ASP CB C 81 41.900 41.422 0.478 1
1 1037 . 15 1 1 A 84 84 ASP N N 81 117.300 118.214 -0.914 1
1 1038 . 15 1 1 A 85 85 GLY H H 82 8.860 8.251 0.609 1
1 1039 . 15 1 1 A 85 85 GLY HA2 H 82 3.590 3.966 -0.376 1
1 1040 . 15 1 1 A 85 85 GLY HA3 H 82 4.810 4.003 0.807 1
1 1041 . 15 1 1 A 85 85 GLY C C 82 173.700 174.249 -0.549 1
1 1042 . 15 1 1 A 85 85 GLY CA C 82 45.900 45.316 0.584 1
1 1043 . 15 1 1 A 85 85 GLY N N 82 111.300 108.274 3.026 1
1 1044 . 15 1 1 A 86 86 LEU H H 83 7.430 7.765 -0.335 1
1 1045 . 15 1 1 A 86 86 LEU HA H 83 4.290 4.304 -0.014 1
1 1055 . 15 1 1 A 86 86 LEU C C 83 176.600 175.225 1.375 1
1 1056 . 15 1 1 A 86 86 LEU CA C 83 56.200 55.048 1.152 1
1 1057 . 15 1 1 A 86 86 LEU CB C 83 43.100 42.675 0.425 1
1 1061 . 15 1 1 A 86 86 LEU N N 83 120.800 122.756 -1.956 1
1 1062 . 15 1 1 A 87 87 CYS H H 84 8.080 8.403 -0.323 1
1 1063 . 15 1 1 A 87 87 CYS HA H 84 5.290 4.386 0.904 1
1 1066 . 15 1 1 A 87 87 CYS C C 84 175.300 174.979 0.321 1
1 1067 . 15 1 1 A 87 87 CYS CA C 84 56.600 57.428 -0.828 1
1 1068 . 15 1 1 A 87 87 CYS CB C 84 27.800 29.260 -1.460 1
1 1069 . 15 1 1 A 87 87 CYS N N 84 126.300 125.708 0.592 1
1 1070 . 15 1 1 A 88 88 MET H H 85 8.760 8.702 0.058 1
1 1071 . 15 1 1 A 88 88 MET HA H 85 3.630 4.255 -0.625 1
1 1079 . 15 1 1 A 88 88 MET C C 85 177.500 177.776 -0.276 1
1 1080 . 15 1 1 A 88 88 MET CA C 85 58.800 57.861 0.939 1
1 1081 . 15 1 1 A 88 88 MET CB C 85 33.800 32.609 1.191 1
1 1084 . 15 1 1 A 88 88 MET N N 85 130.500 124.822 5.678 1
1 1085 . 15 1 1 A 89 89 GLU H H 86 9.160 7.503 1.657 1
1 1086 . 15 1 1 A 89 89 GLU HA H 86 3.770 4.083 -0.313 1
1 1091 . 15 1 1 A 89 89 GLU C C 86 177.500 177.973 -0.473 1
1 1092 . 15 1 1 A 89 89 GLU CA C 86 60.900 59.159 1.741 1
1 1093 . 15 1 1 A 89 89 GLU CB C 86 29.300 29.902 -0.602 1
1 1095 . 15 1 1 A 89 89 GLU N N 86 119.200 118.944 0.256 1
1 1096 . 15 1 1 A 90 90 ASP H H 87 7.080 7.705 -0.625 1
1 1097 . 15 1 1 A 90 90 ASP HA H 87 4.590 4.906 -0.316 1
1 1100 . 15 1 1 A 90 90 ASP CA C 87 54.700 54.565 0.135 1
1 1101 . 15 1 1 A 90 90 ASP CB C 87 41.800 41.522 0.278 1
1 1102 . 15 1 1 A 90 90 ASP N N 87 115.800 118.064 -2.264 1
1 1103 . 15 1 1 A 91 91 GLU H H 88 9.340 8.297 1.043 1
1 1104 . 15 1 1 A 91 91 GLU HA H 88 4.290 4.406 -0.116 1
1 1109 . 15 1 1 A 91 91 GLU C C 88 178.900 178.151 0.749 1
1 1110 . 15 1 1 A 91 91 GLU CA C 88 59.000 59.372 -0.372 1
1 1111 . 15 1 1 A 91 91 GLU CB C 88 29.100 29.239 -0.139 1
1 1113 . 15 1 1 A 91 91 GLU N N 88 127.400 119.601 7.799 1
1 1114 . 15 1 1 A 92 92 GLN H H 89 8.920 8.157 0.763 1
1 1115 . 15 1 1 A 92 92 GLN HA H 89 4.170 3.862 0.308 1
1 1122 . 15 1 1 A 92 92 GLN C C 89 176.600 176.994 -0.394 1
1 1123 . 15 1 1 A 92 92 GLN CA C 89 57.800 58.501 -0.701 1
1 1124 . 15 1 1 A 92 92 GLN CB C 89 28.400 28.304 0.096 1
1 1127 . 15 1 1 A 92 92 GLN N N 89 120.400 119.135 1.265 1
1 1129 . 15 1 1 A 93 93 PHE H H 90 8.150 8.252 -0.102 1
1 1130 . 15 1 1 A 93 93 PHE HA H 90 4.430 4.567 -0.137 1
1 1138 . 15 1 1 A 93 93 PHE C C 90 172.600 176.388 -3.788 1
1 1139 . 15 1 1 A 93 93 PHE CA C 90 57.800 59.256 -1.456 1
1 1140 . 15 1 1 A 93 93 PHE CB C 90 39.300 40.130 -0.830 1
1 1146 . 15 1 1 A 93 93 PHE N N 90 119.700 114.902 4.798 1
1 1147 . 15 1 1 A 94 94 SER H H 91 7.020 8.390 -1.370 1
1 1148 . 15 1 1 A 94 94 SER HA H 91 4.870 4.509 0.361 1
1 1152 . 15 1 1 A 94 94 SER C C 91 174.100 173.839 0.261 1
1 1153 . 15 1 1 A 94 94 SER CA C 91 60.900 60.862 0.038 1
1 1154 . 15 1 1 A 94 94 SER CB C 91 63.600 62.007 1.593 1
1 1155 . 15 1 1 A 94 94 SER N N 91 112.700 112.726 -0.026 1
1 1156 . 15 1 1 A 95 95 VAL H H 92 9.120 7.866 1.254 1
1 1157 . 15 1 1 A 95 95 VAL HA H 92 4.810 5.025 -0.215 1
1 1165 . 15 1 1 A 95 95 VAL C C 92 175.700 175.479 0.221 1
1 1166 . 15 1 1 A 95 95 VAL CA C 92 59.200 59.610 -0.410 1
1 1167 . 15 1 1 A 95 95 VAL CB C 92 35.700 34.773 0.927 1
1 1170 . 15 1 1 A 95 95 VAL N N 92 116.900 118.013 -1.113 1
1 1171 . 15 1 1 A 96 96 LYS H H 93 8.390 8.050 0.340 1
1 1172 . 15 1 1 A 96 96 LYS HA H 93 4.010 4.539 -0.529 1
1 1181 . 15 1 1 A 96 96 LYS C C 93 174.800 175.306 -0.506 1
1 1182 . 15 1 1 A 96 96 LYS CA C 93 57.700 55.552 2.148 1
1 1183 . 15 1 1 A 96 96 LYS CB C 93 34.000 33.423 0.577 1
1 1187 . 15 1 1 A 96 96 LYS N N 93 120.300 121.114 -0.814 1
1 1188 . 15 1 1 A 97 97 HIS H H 94 8.030 8.671 -0.641 1
1 1189 . 15 1 1 A 97 97 HIS HA H 94 5.060 4.651 0.409 1
1 1194 . 15 1 1 A 97 97 HIS C C 94 172.600 173.124 -0.524 1
1 1195 . 15 1 1 A 97 97 HIS CA C 94 54.700 54.947 -0.247 1
1 1196 . 15 1 1 A 97 97 HIS CB C 94 31.400 30.539 0.861 1
1 1199 . 15 1 1 A 97 97 HIS N N 94 121.000 124.057 -3.057 1
1 1200 . 15 1 1 A 98 98 TYR H H 95 7.610 8.957 -1.347 1
1 1201 . 15 1 1 A 98 98 TYR HA H 95 4.410 4.744 -0.334 1
1 1208 . 15 1 1 A 98 98 TYR C C 95 173.600 175.649 -2.049 1
1 1209 . 15 1 1 A 98 98 TYR CA C 95 56.400 56.970 -0.570 1
1 1210 . 15 1 1 A 98 98 TYR CB C 95 40.900 40.155 0.745 1
1 1215 . 15 1 1 A 98 98 TYR N N 95 121.800 126.847 -5.047 1
1 1216 . 15 1 1 A 99 99 GLU H H 96 8.480 8.839 -0.359 1
1 1217 . 15 1 1 A 99 99 GLU HA H 96 4.420 4.753 -0.333 1
1 1222 . 15 1 1 A 99 99 GLU C C 96 174.300 175.452 -1.152 1
1 1223 . 15 1 1 A 99 99 GLU CA C 96 56.600 56.787 -0.187 1
1 1224 . 15 1 1 A 99 99 GLU CB C 96 30.700 30.214 0.486 1
1 1226 . 15 1 1 A 99 99 GLU N N 96 122.200 122.931 -0.731 1
1 1227 . 15 1 1 A 100 100 ALA H H 97 8.420 8.904 -0.484 1
1 1228 . 15 1 1 A 100 100 ALA HA H 97 5.940 5.967 -0.027 1
1 1232 . 15 1 1 A 100 100 ALA C C 97 176.100 176.472 -0.372 1
1 1233 . 15 1 1 A 100 100 ALA CA C 97 50.400 50.068 0.332 1
1 1234 . 15 1 1 A 100 100 ALA CB C 97 23.700 21.564 2.136 1
1 1235 . 15 1 1 A 100 100 ALA N N 97 124.100 128.132 -4.032 1
1 1236 . 15 1 1 A 101 101 ARG H H 98 9.000 9.365 -0.365 1
1 1237 . 15 1 1 A 101 101 ARG HA H 98 4.640 5.023 -0.383 1
1 1245 . 15 1 1 A 101 101 ARG C C 98 172.100 174.600 -2.500 1
1 1246 . 15 1 1 A 101 101 ARG CA C 98 54.200 54.085 0.115 1
1 1247 . 15 1 1 A 101 101 ARG CB C 98 32.800 33.968 -1.168 1
1 1250 . 15 1 1 A 101 101 ARG N N 98 118.400 121.073 -2.673 1
1 1252 . 15 1 1 A 102 102 VAL H H 99 8.330 8.558 -0.228 1
1 1253 . 15 1 1 A 102 102 VAL HA H 99 4.720 4.696 0.024 1
1 1261 . 15 1 1 A 102 102 VAL C C 99 175.200 174.103 1.097 1
1 1262 . 15 1 1 A 102 102 VAL CA C 99 61.100 61.414 -0.314 1
1 1263 . 15 1 1 A 102 102 VAL CB C 99 32.700 31.846 0.854 1
1 1266 . 15 1 1 A 102 102 VAL N N 99 119.500 122.346 -2.846 1
1 1267 . 15 1 1 A 103 103 LYS H H 100 9.070 9.026 0.044 1
1 1268 . 15 1 1 A 103 103 LYS HA H 100 4.460 4.482 -0.022 1
1 1277 . 15 1 1 A 103 103 LYS C C 100 175.700 176.049 -0.349 1
1 1278 . 15 1 1 A 103 103 LYS CA C 100 54.300 55.140 -0.840 1
1 1279 . 15 1 1 A 103 103 LYS CB C 100 34.800 33.476 1.324 1
1 1283 . 15 1 1 A 103 103 LYS N N 100 130.200 128.212 1.988 1
1 1284 . 15 1 1 A 104 104 ASP H H 101 9.560 9.186 0.374 1
1 1285 . 15 1 1 A 104 104 ASP HA H 101 4.210 4.269 -0.059 1
1 1288 . 15 1 1 A 104 104 ASP C C 101 175.800 175.411 0.389 1
1 1289 . 15 1 1 A 104 104 ASP CA C 101 55.500 55.161 0.339 1
1 1290 . 15 1 1 A 104 104 ASP CB C 101 39.700 40.045 -0.345 1
1 1291 . 15 1 1 A 104 104 ASP N N 101 130.600 126.793 3.807 1
1 1292 . 15 1 1 A 105 105 GLY H H 102 8.260 8.374 -0.114 1
1 1293 . 15 1 1 A 105 105 GLY HA2 H 102 3.450 4.010 -0.560 1
1 1294 . 15 1 1 A 105 105 GLY HA3 H 102 4.170 4.011 0.159 1
1 1295 . 15 1 1 A 105 105 GLY C C 102 173.300 173.751 -0.451 1
1 1296 . 15 1 1 A 105 105 GLY CA C 102 45.300 44.910 0.390 1
1 1297 . 15 1 1 A 105 105 GLY N N 102 101.900 105.171 -3.271 1
1 1298 . 15 1 1 A 106 106 VAL H H 103 7.900 8.038 -0.138 1
1 1299 . 15 1 1 A 106 106 VAL HA H 103 4.270 4.271 -0.001 1
1 1307 . 15 1 1 A 106 106 VAL C C 103 175.100 174.861 0.239 1
1 1308 . 15 1 1 A 106 106 VAL CA C 103 62.100 61.682 0.418 1
1 1309 . 15 1 1 A 106 106 VAL CB C 103 34.100 33.267 0.833 1
1 1312 . 15 1 1 A 106 106 VAL N N 103 123.800 122.479 1.321 1
1 1313 . 15 1 1 A 107 107 VAL H H 104 9.290 9.451 -0.161 1
1 1314 . 15 1 1 A 107 107 VAL HA H 104 4.220 4.356 -0.136 1
1 1322 . 15 1 1 A 107 107 VAL C C 104 174.300 175.247 -0.947 1
1 1323 . 15 1 1 A 107 107 VAL CA C 104 62.700 62.342 0.358 1
1 1324 . 15 1 1 A 107 107 VAL CB C 104 31.500 31.638 -0.138 1
1 1327 . 15 1 1 A 107 107 VAL N N 104 127.300 128.265 -0.965 1
1 1328 . 15 1 1 A 108 108 GLN H H 105 9.410 9.067 0.343 1
1 1329 . 15 1 1 A 108 108 GLN HA H 105 5.720 5.444 0.276 1
1 1336 . 15 1 1 A 108 108 GLN C C 105 174.900 174.611 0.289 1
1 1337 . 15 1 1 A 108 108 GLN CA C 105 53.400 54.488 -1.088 1
1 1338 . 15 1 1 A 108 108 GLN CB C 105 34.600 32.042 2.558 1
1 1341 . 15 1 1 A 108 108 GLN N N 105 126.500 127.422 -0.922 1
1 1343 . 15 1 1 A 109 109 LEU H H 106 8.530 9.193 -0.663 1
1 1344 . 15 1 1 A 109 109 LEU HA H 106 5.760 5.393 0.367 1
1 1354 . 15 1 1 A 109 109 LEU C C 106 176.300 175.300 1.000 1
1 1355 . 15 1 1 A 109 109 LEU CA C 106 52.800 53.349 -0.549 1
1 1356 . 15 1 1 A 109 109 LEU CB C 106 48.900 44.634 4.266 1
1 1360 . 15 1 1 A 109 109 LEU N N 106 118.900 125.261 -6.361 1
1 1361 . 15 1 1 A 110 110 ARG H H 107 8.310 9.026 -0.716 1
1 1362 . 15 1 1 A 110 110 ARG HA H 107 4.230 4.885 -0.655 1
1 1370 . 15 1 1 A 110 110 ARG C C 107 174.800 175.279 -0.479 1
1 1371 . 15 1 1 A 110 110 ARG CA C 107 55.700 54.085 1.615 1
1 1372 . 15 1 1 A 110 110 ARG CB C 107 31.900 31.974 -0.074 1
1 1375 . 15 1 1 A 110 110 ARG N N 107 119.900 123.631 -3.731 1
1 1377 . 15 1 1 A 111 111 GLY H H 108 8.390 8.251 0.139 1
1 1378 . 15 1 1 A 111 111 GLY HA2 H 108 3.880 4.293 -0.413 1
1 1379 . 15 1 1 A 111 111 GLY HA3 H 108 4.130 4.324 -0.194 1
1 1380 . 15 1 1 A 111 111 GLY C C 108 173.500 172.558 0.942 1
1 1381 . 15 1 1 A 111 111 GLY CA C 108 45.000 45.679 -0.679 1
1 1382 . 15 1 1 A 111 111 GLY N N 108 110.000 112.864 -2.864 1
1 1383 . 15 1 1 A 112 112 GLY H H 109 8.280 8.632 -0.352 1
1 1384 . 15 1 1 A 112 112 GLY HA2 H 109 3.850 4.057 -0.207 1
1 1385 . 15 1 1 A 112 112 GLY HA3 H 109 3.950 4.089 -0.139 1
1 1386 . 15 1 1 A 112 112 GLY C C 109 173.200 174.253 -1.053 1
1 1387 . 15 1 1 A 112 112 GLY CA C 109 45.100 44.264 0.836 1
1 1388 . 15 1 1 A 112 112 GLY N N 109 108.400 108.221 0.179 1
1 10 . 16 1 1 A 5 5 SER H H 2 8.360 7.764 0.596 1
1 11 . 16 1 1 A 5 5 SER HA H 2 4.400 4.634 -0.234 1
1 14 . 16 1 1 A 5 5 SER C C 2 174.100 172.543 1.557 1
1 15 . 16 1 1 A 5 5 SER CA C 2 58.200 57.116 1.084 1
1 16 . 16 1 1 A 5 5 SER CB C 2 63.700 63.650 0.050 1
1 17 . 16 1 1 A 5 5 SER N N 2 117.000 116.778 0.222 1
1 18 . 16 1 1 A 6 6 GLN H H 3 8.280 8.832 -0.552 1
1 19 . 16 1 1 A 6 6 GLN HA H 3 4.320 4.395 -0.075 1
1 26 . 16 1 1 A 6 6 GLN C C 3 175.500 174.399 1.101 1
1 27 . 16 1 1 A 6 6 GLN CA C 3 55.400 55.161 0.239 1
1 28 . 16 1 1 A 6 6 GLN CB C 3 30.100 28.271 1.829 1
1 31 . 16 1 1 A 6 6 GLN N N 3 121.800 126.014 -4.214 1
1 33 . 16 1 1 A 7 7 TRP H H 4 8.170 8.465 -0.295 1
1 34 . 16 1 1 A 7 7 TRP HA H 4 4.470 5.013 -0.543 1
1 43 . 16 1 1 A 7 7 TRP C C 4 176.200 175.563 0.637 1
1 44 . 16 1 1 A 7 7 TRP CA C 4 57.600 57.492 0.108 1
1 45 . 16 1 1 A 7 7 TRP CB C 4 30.300 29.059 1.241 1
1 51 . 16 1 1 A 7 7 TRP N N 4 122.300 127.581 -5.281 1
1 53 . 16 1 1 A 8 8 LYS H H 5 9.370 9.011 0.359 1
1 54 . 16 1 1 A 8 8 LYS HA H 5 4.690 4.677 0.013 1
1 63 . 16 1 1 A 8 8 LYS C C 5 175.600 175.474 0.126 1
1 64 . 16 1 1 A 8 8 LYS CA C 5 54.200 56.336 -2.136 1
1 65 . 16 1 1 A 8 8 LYS CB C 5 34.700 33.330 1.370 1
1 69 . 16 1 1 A 8 8 LYS N N 5 125.100 126.477 -1.377 1
1 70 . 16 1 1 A 9 9 ASP H H 6 8.730 8.775 -0.045 1
1 71 . 16 1 1 A 9 9 ASP HA H 6 4.500 5.085 -0.585 1
1 74 . 16 1 1 A 9 9 ASP C C 6 176.200 175.799 0.401 1
1 75 . 16 1 1 A 9 9 ASP CA C 6 55.400 54.530 0.870 1
1 76 . 16 1 1 A 9 9 ASP CB C 6 40.700 40.698 0.002 1
1 77 . 16 1 1 A 9 9 ASP N N 6 125.400 126.401 -1.001 1
1 78 . 16 1 1 A 10 10 ILE H H 7 9.300 9.648 -0.348 1
1 79 . 16 1 1 A 10 10 ILE HA H 7 4.300 4.082 0.218 1
1 89 . 16 1 1 A 10 10 ILE C C 7 175.500 175.966 -0.466 1
1 90 . 16 1 1 A 10 10 ILE CA C 7 60.000 62.998 -2.998 1
1 91 . 16 1 1 A 10 10 ILE CB C 7 37.700 37.968 -0.268 1
1 95 . 16 1 1 A 10 10 ILE N N 7 122.900 123.704 -0.804 1
1 96 . 16 1 1 A 11 11 CYS H H 8 7.510 7.811 -0.301 1
1 97 . 16 1 1 A 11 11 CYS HA H 8 4.880 4.826 0.054 1
1 100 . 16 1 1 A 11 11 CYS C C 8 172.300 173.272 -0.972 1
1 101 . 16 1 1 A 11 11 CYS CA C 8 55.700 58.028 -2.328 1
1 102 . 16 1 1 A 11 11 CYS CB C 8 28.800 32.571 -3.771 1
1 103 . 16 1 1 A 11 11 CYS N N 8 111.400 116.858 -5.458 1
1 104 . 16 1 1 A 12 12 LYS H H 9 8.920 8.453 0.467 1
1 105 . 16 1 1 A 12 12 LYS HA H 9 4.880 4.676 0.204 1
1 114 . 16 1 1 A 12 12 LYS C C 9 179.400 178.137 1.263 1
1 115 . 16 1 1 A 12 12 LYS CA C 9 55.700 55.206 0.494 1
1 116 . 16 1 1 A 12 12 LYS CB C 9 32.100 33.353 -1.253 1
1 120 . 16 1 1 A 12 12 LYS N N 9 120.100 120.900 -0.800 1
1 121 . 16 1 1 A 13 13 ILE H H 10 8.640 9.493 -0.853 1
1 122 . 16 1 1 A 13 13 ILE HA H 10 3.990 3.993 -0.003 1
1 132 . 16 1 1 A 13 13 ILE C C 10 174.900 176.805 -1.905 1
1 133 . 16 1 1 A 13 13 ILE CA C 10 61.000 63.313 -2.313 1
1 134 . 16 1 1 A 13 13 ILE CB C 10 37.800 38.143 -0.343 1
1 138 . 16 1 1 A 13 13 ILE N N 10 123.700 124.823 -1.123 1
1 139 . 16 1 1 A 14 14 ASP H H 11 7.600 8.164 -0.564 1
1 140 . 16 1 1 A 14 14 ASP HA H 11 4.350 4.355 -0.005 1
1 143 . 16 1 1 A 14 14 ASP C C 11 176.500 178.374 -1.874 1
1 144 . 16 1 1 A 14 14 ASP CA C 11 55.400 57.011 -1.611 1
1 145 . 16 1 1 A 14 14 ASP CB C 11 40.400 40.624 -0.224 1
1 146 . 16 1 1 A 14 14 ASP N N 11 115.800 121.699 -5.899 1
1 147 . 16 1 1 A 15 15 ASP H H 12 7.600 8.136 -0.536 1
1 148 . 16 1 1 A 15 15 ASP HA H 12 4.490 4.475 0.015 1
1 151 . 16 1 1 A 15 15 ASP C C 12 175.600 176.762 -1.162 1
1 152 . 16 1 1 A 15 15 ASP CA C 12 55.500 57.009 -1.509 1
1 153 . 16 1 1 A 15 15 ASP CB C 12 40.900 40.715 0.185 1
1 154 . 16 1 1 A 15 15 ASP N N 12 116.800 117.994 -1.194 1
1 155 . 16 1 1 A 16 16 ILE H H 13 7.700 8.080 -0.380 1
1 156 . 16 1 1 A 16 16 ILE HA H 13 4.000 4.188 -0.188 1
1 166 . 16 1 1 A 16 16 ILE C C 13 174.100 175.372 -1.272 1
1 167 . 16 1 1 A 16 16 ILE CA C 13 60.500 60.811 -0.311 1
1 168 . 16 1 1 A 16 16 ILE CB C 13 38.200 37.423 0.777 1
1 172 . 16 1 1 A 16 16 ILE N N 13 120.900 120.441 0.459 1
1 173 . 16 1 1 A 17 17 LEU H H 14 7.970 8.447 -0.477 1
1 174 . 16 1 1 A 17 17 LEU HA H 14 4.370 4.706 -0.336 1
1 184 . 16 1 1 A 17 17 LEU CA C 14 53.800 53.039 0.761 1
1 185 . 16 1 1 A 17 17 LEU CB C 14 40.500 42.099 -1.599 1
1 189 . 16 1 1 A 17 17 LEU N N 14 127.800 126.877 0.923 1
1 190 . 16 1 1 A 18 18 PRO HA H 15 4.080 4.482 -0.402 1
1 197 . 16 1 1 A 18 18 PRO C C 15 175.700 176.854 -1.154 1
1 198 . 16 1 1 A 18 18 PRO CA C 15 64.300 63.820 0.480 1
1 199 . 16 1 1 A 18 18 PRO CB C 15 31.600 32.012 -0.412 1
1 202 . 16 1 1 A 19 19 GLU H H 16 8.930 8.611 0.319 1
1 203 . 16 1 1 A 19 19 GLU HA H 16 3.660 3.992 -0.332 1
1 208 . 16 1 1 A 19 19 GLU C C 16 175.500 175.065 0.435 1
1 209 . 16 1 1 A 19 19 GLU CA C 16 58.300 57.251 1.049 1
1 210 . 16 1 1 A 19 19 GLU CB C 16 27.300 28.252 -0.952 1
1 212 . 16 1 1 A 19 19 GLU N N 16 113.700 116.800 -3.100 1
1 213 . 16 1 1 A 20 20 THR H H 17 7.790 7.210 0.580 1
1 214 . 16 1 1 A 20 20 THR HA H 17 5.080 4.940 0.140 1
1 220 . 16 1 1 A 20 20 THR C C 17 172.100 173.363 -1.263 1
1 221 . 16 1 1 A 20 20 THR CA C 17 60.700 60.598 0.102 1
1 222 . 16 1 1 A 20 20 THR CB C 17 73.100 71.893 1.207 1
1 224 . 16 1 1 A 20 20 THR N N 17 110.000 112.763 -2.763 1
1 225 . 16 1 1 A 21 21 GLY H H 18 8.080 8.969 -0.889 1
1 226 . 16 1 1 A 21 21 GLY HA2 H 18 3.070 3.895 -0.825 1
1 227 . 16 1 1 A 21 21 GLY HA3 H 18 5.270 3.970 1.300 1
1 228 . 16 1 1 A 21 21 GLY C C 18 173.400 172.407 0.993 1
1 229 . 16 1 1 A 21 21 GLY CA C 18 44.600 44.449 0.151 1
1 230 . 16 1 1 A 21 21 GLY N N 18 103.700 113.598 -9.898 1
1 231 . 16 1 1 A 22 22 VAL H H 19 8.520 9.153 -0.633 1
1 232 . 16 1 1 A 22 22 VAL HA H 19 4.570 4.891 -0.321 1
1 240 . 16 1 1 A 22 22 VAL C C 19 172.900 174.296 -1.396 1
1 241 . 16 1 1 A 22 22 VAL CA C 19 58.900 58.888 0.012 1
1 242 . 16 1 1 A 22 22 VAL CB C 19 35.900 34.647 1.253 1
1 245 . 16 1 1 A 22 22 VAL N N 19 112.900 119.196 -6.296 1
1 246 . 16 1 1 A 23 23 CYS H H 20 8.290 8.627 -0.337 1
1 247 . 16 1 1 A 23 23 CYS HA H 20 5.250 5.040 0.210 1
1 250 . 16 1 1 A 23 23 CYS C C 20 173.500 173.987 -0.487 1
1 251 . 16 1 1 A 23 23 CYS CA C 20 56.300 57.230 -0.930 1
1 252 . 16 1 1 A 23 23 CYS CB C 20 27.600 29.088 -1.488 1
1 253 . 16 1 1 A 23 23 CYS N N 20 120.700 120.839 -0.139 1
1 254 . 16 1 1 A 24 24 ALA H H 21 9.590 9.252 0.338 1
1 255 . 16 1 1 A 24 24 ALA HA H 21 4.580 5.145 -0.565 1
1 259 . 16 1 1 A 24 24 ALA C C 21 174.400 175.225 -0.825 1
1 260 . 16 1 1 A 24 24 ALA CA C 21 50.200 50.526 -0.326 1
1 261 . 16 1 1 A 24 24 ALA CB C 21 23.400 23.942 -0.542 1
1 262 . 16 1 1 A 24 24 ALA N N 21 132.500 125.540 6.960 1
1 263 . 16 1 1 A 25 25 LEU H H 22 8.100 8.697 -0.597 1
1 264 . 16 1 1 A 25 25 LEU HA H 22 4.860 5.159 -0.299 1
1 274 . 16 1 1 A 25 25 LEU C C 22 175.800 175.543 0.257 1
1 275 . 16 1 1 A 25 25 LEU CA C 22 53.800 53.360 0.440 1
1 276 . 16 1 1 A 25 25 LEU CB C 22 43.600 44.650 -1.050 1
1 280 . 16 1 1 A 25 25 LEU N N 22 120.700 118.813 1.887 1
1 281 . 16 1 1 A 26 26 LEU H H 23 8.660 8.844 -0.184 1
1 282 . 16 1 1 A 26 26 LEU HA H 23 4.410 4.585 -0.175 1
1 292 . 16 1 1 A 26 26 LEU C C 23 176.600 176.740 -0.140 1
1 293 . 16 1 1 A 26 26 LEU CA C 23 53.100 53.243 -0.143 1
1 294 . 16 1 1 A 26 26 LEU CB C 23 43.400 43.233 0.167 1
1 298 . 16 1 1 A 26 26 LEU N N 23 125.800 125.236 0.564 1
1 299 . 16 1 1 A 27 27 GLY H H 24 8.910 8.913 -0.003 1
1 300 . 16 1 1 A 27 27 GLY HA2 H 24 3.560 3.813 -0.253 1
1 301 . 16 1 1 A 27 27 GLY HA3 H 24 4.000 3.821 0.179 1
1 302 . 16 1 1 A 27 27 GLY C C 24 173.800 174.237 -0.437 1
1 303 . 16 1 1 A 27 27 GLY CA C 24 47.300 47.314 -0.014 1
1 304 . 16 1 1 A 27 27 GLY N N 24 118.300 115.976 2.324 1
1 305 . 16 1 1 A 28 28 ASP H H 25 8.800 8.312 0.488 1
1 306 . 16 1 1 A 28 28 ASP HA H 25 4.690 4.736 -0.046 1
1 309 . 16 1 1 A 28 28 ASP C C 25 176.100 175.741 0.359 1
1 310 . 16 1 1 A 28 28 ASP CA C 25 53.900 53.326 0.574 1
1 311 . 16 1 1 A 28 28 ASP CB C 25 41.300 42.359 -1.059 1
1 312 . 16 1 1 A 28 28 ASP N N 25 126.600 124.741 1.859 1
1 313 . 16 1 1 A 29 29 GLU H H 26 8.100 7.709 0.391 1
1 314 . 16 1 1 A 29 29 GLU HA H 26 4.440 4.578 -0.138 1
1 319 . 16 1 1 A 29 29 GLU C C 26 174.800 175.594 -0.794 1
1 320 . 16 1 1 A 29 29 GLU CA C 26 55.800 55.966 -0.166 1
1 321 . 16 1 1 A 29 29 GLU CB C 26 30.600 31.116 -0.516 1
1 323 . 16 1 1 A 29 29 GLU N N 26 120.400 120.639 -0.239 1
1 324 . 16 1 1 A 30 30 GLN H H 27 8.640 8.599 0.041 1
1 325 . 16 1 1 A 30 30 GLN HA H 27 4.510 4.605 -0.095 1
1 332 . 16 1 1 A 30 30 GLN C C 27 175.800 174.624 1.176 1
1 333 . 16 1 1 A 30 30 GLN CA C 27 55.700 55.450 0.250 1
1 334 . 16 1 1 A 30 30 GLN CB C 27 29.300 29.149 0.151 1
1 336 . 16 1 1 A 30 30 GLN N N 27 121.300 122.592 -1.292 1
1 338 . 16 1 1 A 31 31 VAL H H 28 9.280 8.928 0.352 1
1 339 . 16 1 1 A 31 31 VAL HA H 28 4.040 4.714 -0.674 1
1 347 . 16 1 1 A 31 31 VAL C C 28 172.900 174.303 -1.403 1
1 348 . 16 1 1 A 31 31 VAL CA C 28 61.900 61.054 0.846 1
1 349 . 16 1 1 A 31 31 VAL CB C 28 34.800 33.554 1.246 1
1 352 . 16 1 1 A 31 31 VAL N N 28 128.600 125.626 2.974 1
1 353 . 16 1 1 A 32 32 ALA H H 29 9.440 9.472 -0.032 1
1 354 . 16 1 1 A 32 32 ALA HA H 29 4.680 4.945 -0.265 1
1 358 . 16 1 1 A 32 32 ALA C C 29 175.200 175.714 -0.514 1
1 359 . 16 1 1 A 32 32 ALA CA C 29 50.500 50.375 0.125 1
1 360 . 16 1 1 A 32 32 ALA CB C 29 20.200 20.283 -0.083 1
1 361 . 16 1 1 A 32 32 ALA N N 29 130.400 129.364 1.036 1
1 362 . 16 1 1 A 33 33 ILE H H 30 8.590 9.142 -0.552 1
1 363 . 16 1 1 A 33 33 ILE HA H 30 4.680 4.779 -0.099 1
1 373 . 16 1 1 A 33 33 ILE C C 30 174.800 174.707 0.093 1
1 374 . 16 1 1 A 33 33 ILE CA C 30 59.900 60.250 -0.350 1
1 375 . 16 1 1 A 33 33 ILE CB C 30 39.300 38.430 0.870 1
1 379 . 16 1 1 A 33 33 ILE N N 30 120.600 123.904 -3.304 1
1 380 . 16 1 1 A 34 34 PHE H H 31 9.430 9.771 -0.341 1
1 381 . 16 1 1 A 34 34 PHE HA H 31 5.070 5.214 -0.144 1
1 386 . 16 1 1 A 34 34 PHE C C 31 174.800 174.532 0.268 1
1 387 . 16 1 1 A 34 34 PHE CA C 31 57.200 56.264 0.936 1
1 388 . 16 1 1 A 34 34 PHE CB C 31 43.400 41.532 1.868 1
1 391 . 16 1 1 A 34 34 PHE N N 31 121.800 125.915 -4.115 1
1 392 . 16 1 1 A 35 35 ARG H H 32 8.450 9.057 -0.607 1
1 393 . 16 1 1 A 35 35 ARG HA H 32 5.470 4.738 0.732 1
1 403 . 16 1 1 A 35 35 ARG CA C 32 52.000 52.539 -0.539 1
1 404 . 16 1 1 A 35 35 ARG CB C 32 33.200 31.365 1.835 1
1 407 . 16 1 1 A 35 35 ARG N N 32 123.000 125.292 -2.292 1
1 410 . 16 1 1 A 36 36 PRO HA H 33 3.910 4.522 -0.612 1
1 417 . 16 1 1 A 36 36 PRO C C 33 174.300 175.214 -0.914 1
1 418 . 16 1 1 A 36 36 PRO CA C 33 64.600 63.582 1.018 1
1 419 . 16 1 1 A 36 36 PRO CB C 33 32.800 32.471 0.329 1
1 422 . 16 1 1 A 37 37 TYR H H 34 9.000 7.731 1.269 1
1 423 . 16 1 1 A 37 37 TYR HA H 34 5.250 5.049 0.201 1
1 430 . 16 1 1 A 37 37 TYR C C 34 175.000 176.051 -1.051 1
1 431 . 16 1 1 A 37 37 TYR CA C 34 54.200 56.579 -2.379 1
1 432 . 16 1 1 A 37 37 TYR CB C 34 41.000 42.590 -1.590 1
1 437 . 16 1 1 A 37 37 TYR N N 34 115.500 118.929 -3.429 1
1 438 . 16 1 1 A 38 38 HIS H H 35 8.700 8.675 0.025 1
1 439 . 16 1 1 A 38 38 HIS HA H 35 4.490 4.741 -0.251 1
1 444 . 16 1 1 A 38 38 HIS C C 35 175.800 175.213 0.587 1
1 445 . 16 1 1 A 38 38 HIS CA C 35 56.400 57.434 -1.034 1
1 446 . 16 1 1 A 38 38 HIS CB C 35 28.600 30.213 -1.613 1
1 449 . 16 1 1 A 38 38 HIS N N 35 119.000 120.032 -1.032 1
1 450 . 16 1 1 A 39 39 SER H H 36 7.890 7.915 -0.025 1
1 451 . 16 1 1 A 39 39 SER HA H 36 4.770 4.538 0.232 1
1 454 . 16 1 1 A 39 39 SER C C 36 173.800 175.235 -1.435 1
1 455 . 16 1 1 A 39 39 SER CA C 36 57.000 56.977 0.023 1
1 456 . 16 1 1 A 39 39 SER CB C 36 64.700 63.636 1.064 1
1 457 . 16 1 1 A 39 39 SER N N 36 115.500 112.456 3.044 1
1 458 . 16 1 1 A 40 40 ASP H H 37 8.540 8.614 -0.074 1
1 459 . 16 1 1 A 40 40 ASP HA H 37 4.540 4.727 -0.187 1
1 462 . 16 1 1 A 40 40 ASP C C 37 174.700 175.940 -1.240 1
1 463 . 16 1 1 A 40 40 ASP CA C 37 53.800 53.481 0.319 1
1 464 . 16 1 1 A 40 40 ASP CB C 37 39.600 40.046 -0.446 1
1 465 . 16 1 1 A 40 40 ASP N N 37 119.400 118.461 0.939 1
1 466 . 16 1 1 A 41 41 GLN H H 38 7.490 7.647 -0.157 1
1 467 . 16 1 1 A 41 41 GLN HA H 38 4.140 4.530 -0.390 1
1 474 . 16 1 1 A 41 41 GLN C C 38 175.500 174.646 0.854 1
1 475 . 16 1 1 A 41 41 GLN CA C 38 57.100 55.402 1.698 1
1 476 . 16 1 1 A 41 41 GLN CB C 38 29.400 29.509 -0.109 1
1 479 . 16 1 1 A 41 41 GLN N N 38 118.700 121.301 -2.601 1
1 481 . 16 1 1 A 42 42 VAL H H 39 7.800 8.736 -0.936 1
1 482 . 16 1 1 A 42 42 VAL HA H 39 5.600 4.699 0.901 1
1 490 . 16 1 1 A 42 42 VAL C C 39 174.200 174.771 -0.571 1
1 491 . 16 1 1 A 42 42 VAL CA C 39 58.200 60.877 -2.677 1
1 492 . 16 1 1 A 42 42 VAL CB C 39 36.500 35.652 0.848 1
1 495 . 16 1 1 A 42 42 VAL N N 39 116.100 126.840 -10.740 1
1 496 . 16 1 1 A 43 43 PHE H H 40 8.480 9.479 -0.999 1
1 497 . 16 1 1 A 43 43 PHE HA H 40 4.870 5.328 -0.458 1
1 504 . 16 1 1 A 43 43 PHE C C 40 173.900 174.558 -0.658 1
1 505 . 16 1 1 A 43 43 PHE CA C 40 56.800 56.144 0.656 1
1 506 . 16 1 1 A 43 43 PHE CB C 40 45.300 43.903 1.397 1
1 511 . 16 1 1 A 43 43 PHE N N 40 117.200 126.010 -8.810 1
1 512 . 16 1 1 A 44 44 ALA H H 41 9.520 8.341 1.179 1
1 513 . 16 1 1 A 44 44 ALA HA H 41 6.200 5.677 0.523 1
1 517 . 16 1 1 A 44 44 ALA C C 41 176.300 175.785 0.515 1
1 518 . 16 1 1 A 44 44 ALA CA C 41 50.900 50.617 0.283 1
1 519 . 16 1 1 A 44 44 ALA CB C 41 24.100 22.623 1.477 1
1 520 . 16 1 1 A 44 44 ALA N N 41 125.100 122.465 2.635 1
1 521 . 16 1 1 A 45 45 ILE H H 42 8.970 8.998 -0.028 1
1 522 . 16 1 1 A 45 45 ILE HA H 42 5.580 5.359 0.221 1
1 532 . 16 1 1 A 45 45 ILE C C 42 174.600 174.989 -0.389 1
1 533 . 16 1 1 A 45 45 ILE CA C 42 59.300 58.615 0.685 1
1 534 . 16 1 1 A 45 45 ILE CB C 42 44.300 41.978 2.322 1
1 538 . 16 1 1 A 45 45 ILE N N 42 117.100 117.644 -0.544 1
1 539 . 16 1 1 A 46 46 SER H H 43 8.460 8.782 -0.322 1
1 540 . 16 1 1 A 46 46 SER HA H 43 4.350 4.627 -0.277 1
1 543 . 16 1 1 A 46 46 SER C C 43 172.100 174.413 -2.313 1
1 544 . 16 1 1 A 46 46 SER CA C 43 59.500 60.452 -0.952 1
1 545 . 16 1 1 A 46 46 SER CB C 43 64.900 63.644 1.256 1
1 546 . 16 1 1 A 46 46 SER N N 43 112.400 119.138 -6.738 1
1 547 . 16 1 1 A 47 47 ASN H H 44 7.990 9.371 -1.381 1
1 548 . 16 1 1 A 47 47 ASN HA H 44 4.940 4.670 0.270 1
1 553 . 16 1 1 A 47 47 ASN C C 44 175.800 175.000 0.800 1
1 554 . 16 1 1 A 47 47 ASN CA C 44 53.800 55.073 -1.273 1
1 555 . 16 1 1 A 47 47 ASN CB C 44 40.600 39.359 1.241 1
1 556 . 16 1 1 A 47 47 ASN N N 44 117.800 123.136 -5.336 1
1 558 . 16 1 1 A 48 48 ILE H H 45 8.190 7.622 0.568 1
1 559 . 16 1 1 A 48 48 ILE HA H 45 4.100 4.364 -0.264 1
1 569 . 16 1 1 A 48 48 ILE C C 45 175.200 175.362 -0.162 1
1 570 . 16 1 1 A 48 48 ILE CA C 45 59.400 60.642 -1.242 1
1 571 . 16 1 1 A 48 48 ILE CB C 45 36.500 39.043 -2.543 1
1 575 . 16 1 1 A 48 48 ILE N N 45 118.300 120.271 -1.971 1
1 576 . 16 1 1 A 49 49 ASP H H 46 8.720 8.349 0.371 1
1 577 . 16 1 1 A 49 49 ASP HA H 46 4.530 4.714 -0.184 1
1 580 . 16 1 1 A 49 49 ASP CA C 46 51.400 52.412 -1.012 1
1 581 . 16 1 1 A 49 49 ASP CB C 46 42.900 41.167 1.733 1
1 582 . 16 1 1 A 49 49 ASP N N 46 128.600 126.308 2.292 1
1 583 . 16 1 1 A 50 50 PRO HA H 47 4.500 4.370 0.130 1
1 590 . 16 1 1 A 50 50 PRO C C 47 177.800 178.305 -0.505 1
1 591 . 16 1 1 A 50 50 PRO CA C 47 63.700 65.985 -2.285 1
1 592 . 16 1 1 A 50 50 PRO CB C 47 32.200 31.658 0.542 1
1 595 . 16 1 1 A 51 51 PHE H H 48 9.270 8.029 1.241 1
1 596 . 16 1 1 A 51 51 PHE HA H 48 3.980 4.318 -0.338 1
1 601 . 16 1 1 A 51 51 PHE C C 48 177.100 177.460 -0.360 1
1 602 . 16 1 1 A 51 51 PHE CA C 48 61.400 59.971 1.429 1
1 603 . 16 1 1 A 51 51 PHE CB C 48 37.900 39.608 -1.708 1
1 606 . 16 1 1 A 51 51 PHE N N 48 121.800 118.329 3.471 1
1 607 . 16 1 1 A 52 52 PHE H H 49 7.440 8.078 -0.638 1
1 608 . 16 1 1 A 52 52 PHE HA H 49 4.560 4.419 0.141 1
1 616 . 16 1 1 A 52 52 PHE C C 49 176.100 175.452 0.648 1
1 617 . 16 1 1 A 52 52 PHE CA C 49 58.300 60.166 -1.866 1
1 618 . 16 1 1 A 52 52 PHE CB C 49 42.000 40.318 1.682 1
1 624 . 16 1 1 A 52 52 PHE N N 49 114.500 119.495 -4.995 1
1 625 . 16 1 1 A 53 53 GLU H H 50 8.590 7.919 0.671 1
1 626 . 16 1 1 A 53 53 GLU HA H 50 3.780 3.825 -0.045 1
1 631 . 16 1 1 A 53 53 GLU C C 50 175.000 174.929 0.071 1
1 632 . 16 1 1 A 53 53 GLU CA C 50 57.300 57.453 -0.153 1
1 633 . 16 1 1 A 53 53 GLU CB C 50 27.100 27.260 -0.160 1
1 635 . 16 1 1 A 53 53 GLU N N 50 120.300 118.231 2.069 1
1 636 . 16 1 1 A 54 54 SER H H 51 7.100 7.944 -0.844 1
1 637 . 16 1 1 A 54 54 SER HA H 51 4.910 4.790 0.120 1
1 640 . 16 1 1 A 54 54 SER CA C 51 56.500 56.984 -0.484 1
1 641 . 16 1 1 A 54 54 SER CB C 51 66.100 66.015 0.085 1
1 642 . 16 1 1 A 54 54 SER N N 51 110.300 114.333 -4.033 1
1 643 . 16 1 1 A 55 55 SER HA H 52 4.550 4.515 0.035 1
1 646 . 16 1 1 A 55 55 SER C C 52 173.500 173.349 0.151 1
1 647 . 16 1 1 A 55 55 SER CA C 52 56.700 55.944 0.756 1
1 648 . 16 1 1 A 55 55 SER CB C 52 62.100 65.222 -3.122 1
1 649 . 16 1 1 A 56 56 VAL H H 53 7.590 8.293 -0.703 1
1 650 . 16 1 1 A 56 56 VAL HA H 53 4.900 4.578 0.322 1
1 658 . 16 1 1 A 56 56 VAL C C 53 176.800 176.714 0.086 1
1 659 . 16 1 1 A 56 56 VAL CA C 53 61.300 62.097 -0.797 1
1 660 . 16 1 1 A 56 56 VAL CB C 53 36.200 32.608 3.592 1
1 663 . 16 1 1 A 56 56 VAL N N 53 117.400 120.473 -3.073 1
1 664 . 16 1 1 A 57 57 LEU H H 54 8.690 9.280 -0.590 1
1 665 . 16 1 1 A 57 57 LEU HA H 54 3.930 4.253 -0.323 1
1 675 . 16 1 1 A 57 57 LEU C C 54 179.500 178.566 0.934 1
1 676 . 16 1 1 A 57 57 LEU CA C 54 60.000 56.785 3.215 1
1 677 . 16 1 1 A 57 57 LEU CB C 54 40.800 41.520 -0.720 1
1 681 . 16 1 1 A 57 57 LEU N N 54 121.100 125.965 -4.865 1
1 682 . 16 1 1 A 58 58 SER H H 55 9.750 7.763 1.987 1
1 683 . 16 1 1 A 58 58 SER HA H 55 3.800 4.339 -0.539 1
1 686 . 16 1 1 A 58 58 SER C C 55 174.100 175.072 -0.972 1
1 687 . 16 1 1 A 58 58 SER CA C 55 61.600 61.239 0.361 1
1 688 . 16 1 1 A 58 58 SER CB C 55 61.900 62.942 -1.042 1
1 689 . 16 1 1 A 58 58 SER N N 55 113.400 114.724 -1.324 1
1 690 . 16 1 1 A 59 59 ARG H H 56 7.510 7.312 0.198 1
1 691 . 16 1 1 A 59 59 ARG HA H 56 4.560 4.542 0.018 1
1 698 . 16 1 1 A 59 59 ARG C C 56 177.500 175.283 2.217 1
1 699 . 16 1 1 A 59 59 ARG CA C 56 55.400 55.082 0.318 1
1 700 . 16 1 1 A 59 59 ARG CB C 56 30.400 30.058 0.342 1
1 703 . 16 1 1 A 59 59 ARG N N 56 118.400 119.680 -1.280 1
1 704 . 16 1 1 A 60 60 GLY H H 57 8.550 7.920 0.630 1
1 705 . 16 1 1 A 60 60 GLY HA2 H 57 4.020 4.361 -0.341 1
1 706 . 16 1 1 A 60 60 GLY HA3 H 57 4.020 4.390 -0.370 1
1 707 . 16 1 1 A 60 60 GLY C C 57 171.200 172.917 -1.717 1
1 708 . 16 1 1 A 60 60 GLY CA C 57 45.400 44.378 1.022 1
1 709 . 16 1 1 A 60 60 GLY N N 57 108.600 109.294 -0.694 1
1 710 . 16 1 1 A 61 61 LEU H H 58 7.740 8.486 -0.746 1
1 711 . 16 1 1 A 61 61 LEU HA H 58 4.640 5.056 -0.416 1
1 721 . 16 1 1 A 61 61 LEU C C 58 177.000 175.427 1.573 1
1 722 . 16 1 1 A 61 61 LEU CA C 58 54.200 53.248 0.952 1
1 723 . 16 1 1 A 61 61 LEU CB C 58 43.700 43.662 0.038 1
1 727 . 16 1 1 A 61 61 LEU N N 58 119.100 117.395 1.705 1
1 728 . 16 1 1 A 62 62 ILE H H 59 8.780 8.785 -0.005 1
1 729 . 16 1 1 A 62 62 ILE HA H 59 4.660 4.954 -0.294 1
1 739 . 16 1 1 A 62 62 ILE C C 59 175.500 175.036 0.464 1
1 740 . 16 1 1 A 62 62 ILE CA C 59 60.600 60.560 0.040 1
1 741 . 16 1 1 A 62 62 ILE CB C 59 38.700 38.686 0.014 1
1 745 . 16 1 1 A 62 62 ILE N N 59 126.500 121.983 4.517 1
1 746 . 16 1 1 A 63 63 ALA H H 60 9.110 9.402 -0.292 1
1 747 . 16 1 1 A 63 63 ALA HA H 60 4.590 5.228 -0.638 1
1 751 . 16 1 1 A 63 63 ALA C C 60 175.000 175.017 -0.017 1
1 752 . 16 1 1 A 63 63 ALA CA C 60 51.300 50.285 1.015 1
1 753 . 16 1 1 A 63 63 ALA CB C 60 23.100 22.491 0.609 1
1 754 . 16 1 1 A 63 63 ALA N N 60 129.300 129.903 -0.603 1
1 755 . 16 1 1 A 64 64 GLU H H 61 8.460 8.779 -0.319 1
1 756 . 16 1 1 A 64 64 GLU HA H 61 5.070 4.922 0.148 1
1 761 . 16 1 1 A 64 64 GLU C C 61 176.000 176.765 -0.765 1
1 762 . 16 1 1 A 64 64 GLU CA C 61 55.100 56.433 -1.333 1
1 763 . 16 1 1 A 64 64 GLU CB C 61 31.200 30.966 0.234 1
1 765 . 16 1 1 A 64 64 GLU N N 61 121.500 122.326 -0.826 1
1 766 . 16 1 1 A 65 65 HIS H H 62 9.310 9.072 0.238 1
1 767 . 16 1 1 A 65 65 HIS HA H 62 4.740 4.301 0.439 1
1 772 . 16 1 1 A 65 65 HIS CA C 62 56.400 58.714 -2.314 1
1 773 . 16 1 1 A 65 65 HIS CB C 62 32.600 31.047 1.553 1
1 776 . 16 1 1 A 65 65 HIS N N 62 123.500 126.628 -3.128 1
1 777 . 16 1 1 A 66 66 GLN HA H 63 3.870 4.383 -0.513 1
1 784 . 16 1 1 A 66 66 GLN C C 63 176.000 175.488 0.512 1
1 785 . 16 1 1 A 66 66 GLN CA C 63 56.600 55.112 1.488 1
1 786 . 16 1 1 A 66 66 GLN CB C 63 26.800 29.345 -2.545 1
1 790 . 16 1 1 A 67 67 GLY H H 64 8.970 8.754 0.216 1
1 791 . 16 1 1 A 67 67 GLY HA2 H 64 3.680 3.991 -0.311 1
1 792 . 16 1 1 A 67 67 GLY HA3 H 64 4.140 4.001 0.139 1
1 793 . 16 1 1 A 67 67 GLY C C 64 173.800 173.927 -0.127 1
1 794 . 16 1 1 A 67 67 GLY CA C 64 45.600 45.381 0.219 1
1 795 . 16 1 1 A 67 67 GLY N N 64 104.200 115.637 -11.437 1
1 796 . 16 1 1 A 68 68 GLU H H 65 7.850 8.046 -0.196 1
1 797 . 16 1 1 A 68 68 GLU HA H 65 4.810 4.583 0.227 1
1 802 . 16 1 1 A 68 68 GLU C C 65 174.400 175.739 -1.339 1
1 803 . 16 1 1 A 68 68 GLU CA C 65 54.100 55.981 -1.881 1
1 804 . 16 1 1 A 68 68 GLU CB C 65 34.000 30.969 3.031 1
1 806 . 16 1 1 A 68 68 GLU N N 65 118.800 120.959 -2.159 1
1 807 . 16 1 1 A 69 69 LEU H H 66 8.030 9.027 -0.997 1
1 808 . 16 1 1 A 69 69 LEU HA H 66 4.920 5.003 -0.083 1
1 818 . 16 1 1 A 69 69 LEU C C 66 177.100 175.728 1.372 1
1 819 . 16 1 1 A 69 69 LEU CA C 66 54.300 53.386 0.914 1
1 820 . 16 1 1 A 69 69 LEU CB C 66 44.500 42.889 1.611 1
1 824 . 16 1 1 A 69 69 LEU N N 66 119.000 124.301 -5.301 1
1 825 . 16 1 1 A 70 70 TRP H H 67 8.980 9.167 -0.187 1
1 826 . 16 1 1 A 70 70 TRP HA H 67 5.140 5.323 -0.183 1
1 835 . 16 1 1 A 70 70 TRP C C 67 174.400 174.894 -0.494 1
1 836 . 16 1 1 A 70 70 TRP CA C 67 55.100 55.851 -0.751 1
1 837 . 16 1 1 A 70 70 TRP CB C 67 31.800 32.359 -0.559 1
1 843 . 16 1 1 A 70 70 TRP N N 67 122.200 125.555 -3.355 1
1 845 . 16 1 1 A 71 71 VAL H H 68 9.490 9.452 0.038 1
1 846 . 16 1 1 A 71 71 VAL HA H 68 4.990 5.287 -0.297 1
1 854 . 16 1 1 A 71 71 VAL C C 68 173.000 173.737 -0.737 1
1 855 . 16 1 1 A 71 71 VAL CA C 68 58.500 59.526 -1.026 1
1 856 . 16 1 1 A 71 71 VAL CB C 68 34.300 34.586 -0.286 1
1 859 . 16 1 1 A 71 71 VAL N N 68 120.900 122.258 -1.358 1
1 860 . 16 1 1 A 72 72 ALA H H 69 8.550 9.070 -0.520 1
1 861 . 16 1 1 A 72 72 ALA HA H 69 5.280 5.874 -0.594 1
1 865 . 16 1 1 A 72 72 ALA C C 69 178.000 176.042 1.958 1
1 866 . 16 1 1 A 72 72 ALA CA C 69 49.200 50.494 -1.294 1
1 867 . 16 1 1 A 72 72 ALA CB C 69 19.700 22.131 -2.431 1
1 868 . 16 1 1 A 72 72 ALA N N 69 130.000 129.924 0.076 1
1 869 . 16 1 1 A 73 73 SER H H 70 9.470 8.889 0.581 1
1 870 . 16 1 1 A 73 73 SER HA H 70 4.540 4.831 -0.291 1
1 873 . 16 1 1 A 73 73 SER CA C 70 55.700 56.410 -0.710 1
1 874 . 16 1 1 A 73 73 SER CB C 70 64.400 63.103 1.297 1
1 875 . 16 1 1 A 73 73 SER N N 70 118.100 117.808 0.292 1
1 876 . 16 1 1 A 74 74 PRO HA H 71 4.540 4.529 0.011 1
1 883 . 16 1 1 A 74 74 PRO C C 71 176.700 177.607 -0.907 1
1 884 . 16 1 1 A 74 74 PRO CA C 71 64.000 64.026 -0.026 1
1 885 . 16 1 1 A 74 74 PRO CB C 71 32.300 31.667 0.633 1
1 888 . 16 1 1 A 75 75 LEU H H 72 7.850 7.930 -0.080 1
1 889 . 16 1 1 A 75 75 LEU HA H 72 4.330 4.179 0.151 1
1 899 . 16 1 1 A 75 75 LEU CA C 72 56.200 57.424 -1.224 1
1 900 . 16 1 1 A 75 75 LEU CB C 72 38.500 42.644 -4.144 1
1 904 . 16 1 1 A 75 75 LEU N N 72 119.300 118.025 1.275 1
1 905 . 16 1 1 A 76 76 LYS HA H 73 4.470 4.587 -0.117 1
1 914 . 16 1 1 A 76 76 LYS C C 73 176.600 176.297 0.303 1
1 915 . 16 1 1 A 76 76 LYS CA C 73 54.600 56.409 -1.809 1
1 916 . 16 1 1 A 76 76 LYS CB C 73 31.700 34.731 -3.031 1
1 920 . 16 1 1 A 77 77 LYS H H 74 7.240 8.404 -1.164 1
1 921 . 16 1 1 A 77 77 LYS HA H 74 4.440 3.829 0.611 1
1 930 . 16 1 1 A 77 77 LYS C C 74 175.500 174.530 0.970 1
1 931 . 16 1 1 A 77 77 LYS CA C 74 57.800 57.355 0.445 1
1 932 . 16 1 1 A 77 77 LYS CB C 74 28.600 29.352 -0.752 1
1 936 . 16 1 1 A 77 77 LYS N N 74 110.900 117.804 -6.904 1
1 937 . 16 1 1 A 78 78 GLN H H 75 8.080 7.706 0.374 1
1 938 . 16 1 1 A 78 78 GLN HA H 75 4.030 4.361 -0.331 1
1 945 . 16 1 1 A 78 78 GLN C C 75 174.500 175.014 -0.514 1
1 946 . 16 1 1 A 78 78 GLN CA C 75 58.400 55.309 3.091 1
1 947 . 16 1 1 A 78 78 GLN CB C 75 27.400 29.941 -2.541 1
1 949 . 16 1 1 A 78 78 GLN N N 75 119.100 118.073 1.027 1
1 951 . 16 1 1 A 79 79 ARG H H 76 9.800 9.032 0.768 1
1 952 . 16 1 1 A 79 79 ARG HA H 76 5.310 4.790 0.520 1
1 960 . 16 1 1 A 79 79 ARG C C 76 175.800 175.171 0.629 1
1 961 . 16 1 1 A 79 79 ARG CA C 76 55.300 55.053 0.247 1
1 962 . 16 1 1 A 79 79 ARG CB C 76 33.100 31.587 1.513 1
1 965 . 16 1 1 A 79 79 ARG N N 76 122.800 125.081 -2.281 1
1 967 . 16 1 1 A 80 80 PHE H H 77 9.220 9.789 -0.569 1
1 968 . 16 1 1 A 80 80 PHE HA H 77 5.630 5.071 0.559 1
1 976 . 16 1 1 A 80 80 PHE C C 77 175.300 174.535 0.765 1
1 977 . 16 1 1 A 80 80 PHE CA C 77 55.800 56.729 -0.929 1
1 978 . 16 1 1 A 80 80 PHE CB C 77 41.300 41.604 -0.304 1
1 984 . 16 1 1 A 80 80 PHE N N 77 119.400 122.551 -3.151 1
1 985 . 16 1 1 A 81 81 ARG H H 78 9.870 9.041 0.829 1
1 986 . 16 1 1 A 81 81 ARG HA H 78 3.490 3.760 -0.270 1
1 996 . 16 1 1 A 81 81 ARG C C 78 177.400 176.335 1.065 1
1 997 . 16 1 1 A 81 81 ARG CA C 78 58.100 55.170 2.930 1
1 998 . 16 1 1 A 81 81 ARG CB C 78 30.500 29.073 1.427 1
1 1001 . 16 1 1 A 81 81 ARG N N 78 130.100 124.794 5.306 1
1 1004 . 16 1 1 A 82 82 LEU H H 79 7.860 8.169 -0.309 1
1 1005 . 16 1 1 A 82 82 LEU HA H 79 3.790 3.981 -0.191 1
1 1015 . 16 1 1 A 82 82 LEU C C 79 177.500 178.560 -1.060 1
1 1016 . 16 1 1 A 82 82 LEU CA C 79 57.600 56.999 0.601 1
1 1017 . 16 1 1 A 82 82 LEU CB C 79 39.600 41.897 -2.297 1
1 1021 . 16 1 1 A 82 82 LEU N N 79 125.300 124.544 0.756 1
1 1022 . 16 1 1 A 83 83 SER H H 80 8.000 7.784 0.216 1
1 1023 . 16 1 1 A 83 83 SER HA H 80 4.200 3.364 0.836 1
1 1026 . 16 1 1 A 83 83 SER C C 80 176.600 175.466 1.134 1
1 1027 . 16 1 1 A 83 83 SER CA C 80 60.100 61.396 -1.296 1
1 1028 . 16 1 1 A 83 83 SER CB C 80 62.500 62.888 -0.388 1
1 1029 . 16 1 1 A 83 83 SER N N 80 109.700 116.525 -6.825 1
1 1030 . 16 1 1 A 84 84 ASP H H 81 7.100 7.304 -0.204 1
1 1031 . 16 1 1 A 84 84 ASP HA H 81 4.090 4.385 -0.295 1
1 1034 . 16 1 1 A 84 84 ASP C C 81 175.900 176.703 -0.803 1
1 1035 . 16 1 1 A 84 84 ASP CA C 81 53.500 52.947 0.553 1
1 1036 . 16 1 1 A 84 84 ASP CB C 81 41.900 42.760 -0.860 1
1 1037 . 16 1 1 A 84 84 ASP N N 81 117.300 115.383 1.917 1
1 1038 . 16 1 1 A 85 85 GLY H H 82 8.860 8.237 0.623 1
1 1039 . 16 1 1 A 85 85 GLY HA2 H 82 3.590 4.029 -0.439 1
1 1040 . 16 1 1 A 85 85 GLY HA3 H 82 4.810 4.034 0.776 1
1 1041 . 16 1 1 A 85 85 GLY C C 82 173.700 174.318 -0.618 1
1 1042 . 16 1 1 A 85 85 GLY CA C 82 45.900 44.981 0.919 1
1 1043 . 16 1 1 A 85 85 GLY N N 82 111.300 109.174 2.126 1
1 1044 . 16 1 1 A 86 86 LEU H H 83 7.430 7.653 -0.223 1
1 1045 . 16 1 1 A 86 86 LEU HA H 83 4.290 4.459 -0.169 1
1 1055 . 16 1 1 A 86 86 LEU C C 83 176.600 175.253 1.347 1
1 1056 . 16 1 1 A 86 86 LEU CA C 83 56.200 54.521 1.679 1
1 1057 . 16 1 1 A 86 86 LEU CB C 83 43.100 43.342 -0.242 1
1 1061 . 16 1 1 A 86 86 LEU N N 83 120.800 122.796 -1.996 1
1 1062 . 16 1 1 A 87 87 CYS H H 84 8.080 8.699 -0.619 1
1 1063 . 16 1 1 A 87 87 CYS HA H 84 5.290 5.170 0.120 1
1 1066 . 16 1 1 A 87 87 CYS C C 84 175.300 175.285 0.015 1
1 1067 . 16 1 1 A 87 87 CYS CA C 84 56.600 57.396 -0.796 1
1 1068 . 16 1 1 A 87 87 CYS CB C 84 27.800 28.739 -0.939 1
1 1069 . 16 1 1 A 87 87 CYS N N 84 126.300 125.642 0.658 1
1 1070 . 16 1 1 A 88 88 MET H H 85 8.760 9.231 -0.471 1
1 1071 . 16 1 1 A 88 88 MET HA H 85 3.630 4.273 -0.643 1
1 1079 . 16 1 1 A 88 88 MET C C 85 177.500 177.352 0.148 1
1 1080 . 16 1 1 A 88 88 MET CA C 85 58.800 57.541 1.259 1
1 1081 . 16 1 1 A 88 88 MET CB C 85 33.800 32.493 1.307 1
1 1084 . 16 1 1 A 88 88 MET N N 85 130.500 126.104 4.396 1
1 1085 . 16 1 1 A 89 89 GLU H H 86 9.160 8.026 1.134 1
1 1086 . 16 1 1 A 89 89 GLU HA H 86 3.770 4.283 -0.513 1
1 1091 . 16 1 1 A 89 89 GLU C C 86 177.500 176.762 0.738 1
1 1092 . 16 1 1 A 89 89 GLU CA C 86 60.900 58.262 2.638 1
1 1093 . 16 1 1 A 89 89 GLU CB C 86 29.300 30.241 -0.941 1
1 1095 . 16 1 1 A 89 89 GLU N N 86 119.200 118.773 0.427 1
1 1096 . 16 1 1 A 90 90 ASP H H 87 7.080 7.719 -0.639 1
1 1097 . 16 1 1 A 90 90 ASP HA H 87 4.590 4.797 -0.207 1
1 1100 . 16 1 1 A 90 90 ASP CA C 87 54.700 53.033 1.667 1
1 1101 . 16 1 1 A 90 90 ASP CB C 87 41.800 40.921 0.879 1
1 1102 . 16 1 1 A 90 90 ASP N N 87 115.800 119.585 -3.785 1
1 1103 . 16 1 1 A 91 91 GLU H H 88 9.340 8.194 1.146 1
1 1104 . 16 1 1 A 91 91 GLU HA H 88 4.290 4.355 -0.065 1
1 1109 . 16 1 1 A 91 91 GLU C C 88 178.900 178.312 0.588 1
1 1110 . 16 1 1 A 91 91 GLU CA C 88 59.000 59.381 -0.381 1
1 1111 . 16 1 1 A 91 91 GLU CB C 88 29.100 29.007 0.093 1
1 1113 . 16 1 1 A 91 91 GLU N N 88 127.400 119.116 8.284 1
1 1114 . 16 1 1 A 92 92 GLN H H 89 8.920 8.141 0.779 1
1 1115 . 16 1 1 A 92 92 GLN HA H 89 4.170 3.858 0.312 1
1 1122 . 16 1 1 A 92 92 GLN C C 89 176.600 177.038 -0.438 1
1 1123 . 16 1 1 A 92 92 GLN CA C 89 57.800 58.760 -0.960 1
1 1124 . 16 1 1 A 92 92 GLN CB C 89 28.400 27.914 0.486 1
1 1127 . 16 1 1 A 92 92 GLN N N 89 120.400 118.947 1.453 1
1 1129 . 16 1 1 A 93 93 PHE H H 90 8.150 8.335 -0.185 1
1 1130 . 16 1 1 A 93 93 PHE HA H 90 4.430 4.542 -0.112 1
1 1138 . 16 1 1 A 93 93 PHE C C 90 172.600 176.359 -3.759 1
1 1139 . 16 1 1 A 93 93 PHE CA C 90 57.800 58.902 -1.102 1
1 1140 . 16 1 1 A 93 93 PHE CB C 90 39.300 40.333 -1.033 1
1 1146 . 16 1 1 A 93 93 PHE N N 90 119.700 114.314 5.386 1
1 1147 . 16 1 1 A 94 94 SER H H 91 7.020 8.258 -1.238 1
1 1148 . 16 1 1 A 94 94 SER HA H 91 4.870 4.816 0.054 1
1 1152 . 16 1 1 A 94 94 SER C C 91 174.100 173.945 0.155 1
1 1153 . 16 1 1 A 94 94 SER CA C 91 60.900 60.852 0.048 1
1 1154 . 16 1 1 A 94 94 SER CB C 91 63.600 62.014 1.586 1
1 1155 . 16 1 1 A 94 94 SER N N 91 112.700 112.693 0.007 1
1 1156 . 16 1 1 A 95 95 VAL H H 92 9.120 8.020 1.100 1
1 1157 . 16 1 1 A 95 95 VAL HA H 92 4.810 5.037 -0.227 1
1 1165 . 16 1 1 A 95 95 VAL C C 92 175.700 174.260 1.440 1
1 1166 . 16 1 1 A 95 95 VAL CA C 92 59.200 59.574 -0.374 1
1 1167 . 16 1 1 A 95 95 VAL CB C 92 35.700 34.586 1.114 1
1 1170 . 16 1 1 A 95 95 VAL N N 92 116.900 118.169 -1.269 1
1 1171 . 16 1 1 A 96 96 LYS H H 93 8.390 8.442 -0.052 1
1 1172 . 16 1 1 A 96 96 LYS HA H 93 4.010 4.468 -0.458 1
1 1181 . 16 1 1 A 96 96 LYS C C 93 174.800 176.179 -1.379 1
1 1182 . 16 1 1 A 96 96 LYS CA C 93 57.700 54.814 2.886 1
1 1183 . 16 1 1 A 96 96 LYS CB C 93 34.000 33.673 0.327 1
1 1187 . 16 1 1 A 96 96 LYS N N 93 120.300 122.683 -2.383 1
1 1188 . 16 1 1 A 97 97 HIS H H 94 8.030 8.737 -0.707 1
1 1189 . 16 1 1 A 97 97 HIS HA H 94 5.060 4.794 0.266 1
1 1194 . 16 1 1 A 97 97 HIS C C 94 172.600 173.104 -0.504 1
1 1195 . 16 1 1 A 97 97 HIS CA C 94 54.700 55.593 -0.893 1
1 1196 . 16 1 1 A 97 97 HIS CB C 94 31.400 31.421 -0.021 1
1 1199 . 16 1 1 A 97 97 HIS N N 94 121.000 125.755 -4.755 1
1 1200 . 16 1 1 A 98 98 TYR H H 95 7.610 9.089 -1.479 1
1 1201 . 16 1 1 A 98 98 TYR HA H 95 4.410 4.859 -0.449 1
1 1208 . 16 1 1 A 98 98 TYR C C 95 173.600 175.714 -2.114 1
1 1209 . 16 1 1 A 98 98 TYR CA C 95 56.400 56.363 0.037 1
1 1210 . 16 1 1 A 98 98 TYR CB C 95 40.900 41.692 -0.792 1
1 1215 . 16 1 1 A 98 98 TYR N N 95 121.800 125.518 -3.718 1
1 1216 . 16 1 1 A 99 99 GLU H H 96 8.480 8.754 -0.274 1
1 1217 . 16 1 1 A 99 99 GLU HA H 96 4.420 5.114 -0.694 1
1 1222 . 16 1 1 A 99 99 GLU C C 96 174.300 176.108 -1.808 1
1 1223 . 16 1 1 A 99 99 GLU CA C 96 56.600 56.331 0.269 1
1 1224 . 16 1 1 A 99 99 GLU CB C 96 30.700 31.414 -0.714 1
1 1226 . 16 1 1 A 99 99 GLU N N 96 122.200 121.698 0.502 1
1 1227 . 16 1 1 A 100 100 ALA H H 97 8.420 8.726 -0.306 1
1 1228 . 16 1 1 A 100 100 ALA HA H 97 5.940 5.981 -0.041 1
1 1232 . 16 1 1 A 100 100 ALA C C 97 176.100 175.612 0.488 1
1 1233 . 16 1 1 A 100 100 ALA CA C 97 50.400 50.506 -0.106 1
1 1234 . 16 1 1 A 100 100 ALA CB C 97 23.700 23.639 0.061 1
1 1235 . 16 1 1 A 100 100 ALA N N 97 124.100 123.671 0.429 1
1 1236 . 16 1 1 A 101 101 ARG H H 98 9.000 9.317 -0.317 1
1 1237 . 16 1 1 A 101 101 ARG HA H 98 4.640 4.980 -0.340 1
1 1245 . 16 1 1 A 101 101 ARG C C 98 172.100 174.054 -1.954 1
1 1246 . 16 1 1 A 101 101 ARG CA C 98 54.200 54.285 -0.085 1
1 1247 . 16 1 1 A 101 101 ARG CB C 98 32.800 33.681 -0.881 1
1 1250 . 16 1 1 A 101 101 ARG N N 98 118.400 117.728 0.672 1
1 1252 . 16 1 1 A 102 102 VAL H H 99 8.330 8.688 -0.358 1
1 1253 . 16 1 1 A 102 102 VAL HA H 99 4.720 4.600 0.120 1
1 1261 . 16 1 1 A 102 102 VAL C C 99 175.200 174.136 1.064 1
1 1262 . 16 1 1 A 102 102 VAL CA C 99 61.100 61.421 -0.321 1
1 1263 . 16 1 1 A 102 102 VAL CB C 99 32.700 32.112 0.588 1
1 1266 . 16 1 1 A 102 102 VAL N N 99 119.500 122.546 -3.046 1
1 1267 . 16 1 1 A 103 103 LYS H H 100 9.070 9.022 0.048 1
1 1268 . 16 1 1 A 103 103 LYS HA H 100 4.460 4.456 0.004 1
1 1277 . 16 1 1 A 103 103 LYS C C 100 175.700 176.312 -0.612 1
1 1278 . 16 1 1 A 103 103 LYS CA C 100 54.300 55.255 -0.955 1
1 1279 . 16 1 1 A 103 103 LYS CB C 100 34.800 33.170 1.630 1
1 1283 . 16 1 1 A 103 103 LYS N N 100 130.200 128.155 2.045 1
1 1284 . 16 1 1 A 104 104 ASP H H 101 9.560 8.783 0.777 1
1 1285 . 16 1 1 A 104 104 ASP HA H 101 4.210 4.308 -0.098 1
1 1288 . 16 1 1 A 104 104 ASP C C 101 175.800 176.391 -0.591 1
1 1289 . 16 1 1 A 104 104 ASP CA C 101 55.500 54.939 0.561 1
1 1290 . 16 1 1 A 104 104 ASP CB C 101 39.700 38.628 1.072 1
1 1291 . 16 1 1 A 104 104 ASP N N 101 130.600 125.539 5.061 1
1 1292 . 16 1 1 A 105 105 GLY H H 102 8.260 8.266 -0.006 1
1 1293 . 16 1 1 A 105 105 GLY HA2 H 102 3.450 3.997 -0.547 1
1 1294 . 16 1 1 A 105 105 GLY HA3 H 102 4.170 3.999 0.171 1
1 1295 . 16 1 1 A 105 105 GLY C C 102 173.300 173.762 -0.462 1
1 1296 . 16 1 1 A 105 105 GLY CA C 102 45.300 44.912 0.388 1
1 1297 . 16 1 1 A 105 105 GLY N N 102 101.900 108.840 -6.940 1
1 1298 . 16 1 1 A 106 106 VAL H H 103 7.900 8.186 -0.286 1
1 1299 . 16 1 1 A 106 106 VAL HA H 103 4.270 4.168 0.102 1
1 1307 . 16 1 1 A 106 106 VAL C C 103 175.100 174.658 0.442 1
1 1308 . 16 1 1 A 106 106 VAL CA C 103 62.100 62.202 -0.102 1
1 1309 . 16 1 1 A 106 106 VAL CB C 103 34.100 32.805 1.295 1
1 1312 . 16 1 1 A 106 106 VAL N N 103 123.800 122.329 1.471 1
1 1313 . 16 1 1 A 107 107 VAL H H 104 9.290 9.182 0.108 1
1 1314 . 16 1 1 A 107 107 VAL HA H 104 4.220 4.255 -0.035 1
1 1322 . 16 1 1 A 107 107 VAL C C 104 174.300 175.415 -1.115 1
1 1323 . 16 1 1 A 107 107 VAL CA C 104 62.700 62.726 -0.026 1
1 1324 . 16 1 1 A 107 107 VAL CB C 104 31.500 31.375 0.125 1
1 1327 . 16 1 1 A 107 107 VAL N N 104 127.300 128.146 -0.846 1
1 1328 . 16 1 1 A 108 108 GLN H H 105 9.410 9.232 0.178 1
1 1329 . 16 1 1 A 108 108 GLN HA H 105 5.720 5.320 0.400 1
1 1336 . 16 1 1 A 108 108 GLN C C 105 174.900 174.719 0.181 1
1 1337 . 16 1 1 A 108 108 GLN CA C 105 53.400 54.482 -1.082 1
1 1338 . 16 1 1 A 108 108 GLN CB C 105 34.600 32.039 2.561 1
1 1341 . 16 1 1 A 108 108 GLN N N 105 126.500 127.028 -0.528 1
1 1343 . 16 1 1 A 109 109 LEU H H 106 8.530 9.321 -0.791 1
1 1344 . 16 1 1 A 109 109 LEU HA H 106 5.760 5.515 0.245 1
1 1354 . 16 1 1 A 109 109 LEU C C 106 176.300 175.624 0.676 1
1 1355 . 16 1 1 A 109 109 LEU CA C 106 52.800 53.406 -0.606 1
1 1356 . 16 1 1 A 109 109 LEU CB C 106 48.900 44.729 4.171 1
1 1360 . 16 1 1 A 109 109 LEU N N 106 118.900 124.743 -5.843 1
1 1361 . 16 1 1 A 110 110 ARG H H 107 8.310 9.313 -1.003 1
1 1362 . 16 1 1 A 110 110 ARG HA H 107 4.230 4.621 -0.391 1
1 1370 . 16 1 1 A 110 110 ARG C C 107 174.800 175.189 -0.389 1
1 1371 . 16 1 1 A 110 110 ARG CA C 107 55.700 54.030 1.670 1
1 1372 . 16 1 1 A 110 110 ARG CB C 107 31.900 31.023 0.877 1
1 1375 . 16 1 1 A 110 110 ARG N N 107 119.900 124.043 -4.143 1
1 1377 . 16 1 1 A 111 111 GLY H H 108 8.390 8.392 -0.002 1
1 1378 . 16 1 1 A 111 111 GLY HA2 H 108 3.880 4.432 -0.552 1
1 1379 . 16 1 1 A 111 111 GLY HA3 H 108 4.130 4.484 -0.354 1
1 1380 . 16 1 1 A 111 111 GLY C C 108 173.500 172.174 1.326 1
1 1381 . 16 1 1 A 111 111 GLY CA C 108 45.000 45.611 -0.611 1
1 1382 . 16 1 1 A 111 111 GLY N N 108 110.000 112.719 -2.719 1
1 1383 . 16 1 1 A 112 112 GLY H H 109 8.280 8.654 -0.374 1
1 1384 . 16 1 1 A 112 112 GLY HA2 H 109 3.850 4.248 -0.398 1
1 1385 . 16 1 1 A 112 112 GLY HA3 H 109 3.950 4.258 -0.308 1
1 1386 . 16 1 1 A 112 112 GLY C C 109 173.200 172.811 0.389 1
1 1387 . 16 1 1 A 112 112 GLY CA C 109 45.100 45.482 -0.382 1
1 1388 . 16 1 1 A 112 112 GLY N N 109 108.400 108.705 -0.305 1
1 10 . 17 1 1 A 5 5 SER H H 2 8.360 8.727 -0.367 1
1 11 . 17 1 1 A 5 5 SER HA H 2 4.400 5.116 -0.716 1
1 14 . 17 1 1 A 5 5 SER C C 2 174.100 172.108 1.992 1
1 15 . 17 1 1 A 5 5 SER CA C 2 58.200 57.347 0.853 1
1 16 . 17 1 1 A 5 5 SER CB C 2 63.700 65.227 -1.527 1
1 17 . 17 1 1 A 5 5 SER N N 2 117.000 113.506 3.494 1
1 18 . 17 1 1 A 6 6 GLN H H 3 8.280 9.029 -0.749 1
1 19 . 17 1 1 A 6 6 GLN HA H 3 4.320 4.864 -0.544 1
1 26 . 17 1 1 A 6 6 GLN C C 3 175.500 174.523 0.977 1
1 27 . 17 1 1 A 6 6 GLN CA C 3 55.400 54.141 1.259 1
1 28 . 17 1 1 A 6 6 GLN CB C 3 30.100 29.938 0.162 1
1 31 . 17 1 1 A 6 6 GLN N N 3 121.800 126.895 -5.095 1
1 33 . 17 1 1 A 7 7 TRP H H 4 8.170 8.892 -0.722 1
1 34 . 17 1 1 A 7 7 TRP HA H 4 4.470 5.015 -0.545 1
1 43 . 17 1 1 A 7 7 TRP C C 4 176.200 175.788 0.412 1
1 44 . 17 1 1 A 7 7 TRP CA C 4 57.600 56.828 0.772 1
1 45 . 17 1 1 A 7 7 TRP CB C 4 30.300 27.787 2.513 1
1 51 . 17 1 1 A 7 7 TRP N N 4 122.300 127.818 -5.518 1
1 53 . 17 1 1 A 8 8 LYS H H 5 9.370 8.769 0.601 1
1 54 . 17 1 1 A 8 8 LYS HA H 5 4.690 4.553 0.137 1
1 63 . 17 1 1 A 8 8 LYS C C 5 175.600 176.041 -0.441 1
1 64 . 17 1 1 A 8 8 LYS CA C 5 54.200 56.084 -1.884 1
1 65 . 17 1 1 A 8 8 LYS CB C 5 34.700 33.453 1.247 1
1 69 . 17 1 1 A 8 8 LYS N N 5 125.100 126.715 -1.615 1
1 70 . 17 1 1 A 9 9 ASP H H 6 8.730 8.764 -0.034 1
1 71 . 17 1 1 A 9 9 ASP HA H 6 4.500 4.937 -0.437 1
1 74 . 17 1 1 A 9 9 ASP C C 6 176.200 175.462 0.738 1
1 75 . 17 1 1 A 9 9 ASP CA C 6 55.400 54.355 1.045 1
1 76 . 17 1 1 A 9 9 ASP CB C 6 40.700 41.221 -0.521 1
1 77 . 17 1 1 A 9 9 ASP N N 6 125.400 125.973 -0.573 1
1 78 . 17 1 1 A 10 10 ILE H H 7 9.300 9.358 -0.058 1
1 79 . 17 1 1 A 10 10 ILE HA H 7 4.300 4.178 0.122 1
1 89 . 17 1 1 A 10 10 ILE C C 7 175.500 175.906 -0.406 1
1 90 . 17 1 1 A 10 10 ILE CA C 7 60.000 62.606 -2.606 1
1 91 . 17 1 1 A 10 10 ILE CB C 7 37.700 38.560 -0.860 1
1 95 . 17 1 1 A 10 10 ILE N N 7 122.900 122.931 -0.031 1
1 96 . 17 1 1 A 11 11 CYS H H 8 7.510 7.766 -0.256 1
1 97 . 17 1 1 A 11 11 CYS HA H 8 4.880 4.799 0.081 1
1 100 . 17 1 1 A 11 11 CYS C C 8 172.300 172.571 -0.271 1
1 101 . 17 1 1 A 11 11 CYS CA C 8 55.700 57.905 -2.205 1
1 102 . 17 1 1 A 11 11 CYS CB C 8 28.800 32.842 -4.042 1
1 103 . 17 1 1 A 11 11 CYS N N 8 111.400 116.969 -5.569 1
1 104 . 17 1 1 A 12 12 LYS H H 9 8.920 8.576 0.344 1
1 105 . 17 1 1 A 12 12 LYS HA H 9 4.880 4.469 0.411 1
1 114 . 17 1 1 A 12 12 LYS C C 9 179.400 177.703 1.697 1
1 115 . 17 1 1 A 12 12 LYS CA C 9 55.700 55.561 0.139 1
1 116 . 17 1 1 A 12 12 LYS CB C 9 32.100 33.846 -1.746 1
1 120 . 17 1 1 A 12 12 LYS N N 9 120.100 122.040 -1.940 1
1 121 . 17 1 1 A 13 13 ILE H H 10 8.640 9.273 -0.633 1
1 122 . 17 1 1 A 13 13 ILE HA H 10 3.990 4.011 -0.021 1
1 132 . 17 1 1 A 13 13 ILE C C 10 174.900 177.653 -2.753 1
1 133 . 17 1 1 A 13 13 ILE CA C 10 61.000 63.295 -2.295 1
1 134 . 17 1 1 A 13 13 ILE CB C 10 37.800 38.193 -0.393 1
1 138 . 17 1 1 A 13 13 ILE N N 10 123.700 127.740 -4.040 1
1 139 . 17 1 1 A 14 14 ASP H H 11 7.600 8.275 -0.675 1
1 140 . 17 1 1 A 14 14 ASP HA H 11 4.350 4.480 -0.130 1
1 143 . 17 1 1 A 14 14 ASP C C 11 176.500 178.241 -1.741 1
1 144 . 17 1 1 A 14 14 ASP CA C 11 55.400 57.281 -1.881 1
1 145 . 17 1 1 A 14 14 ASP CB C 11 40.400 40.431 -0.031 1
1 146 . 17 1 1 A 14 14 ASP N N 11 115.800 121.327 -5.527 1
1 147 . 17 1 1 A 15 15 ASP H H 12 7.600 7.825 -0.225 1
1 148 . 17 1 1 A 15 15 ASP HA H 12 4.490 4.427 0.063 1
1 151 . 17 1 1 A 15 15 ASP C C 12 175.600 176.103 -0.503 1
1 152 . 17 1 1 A 15 15 ASP CA C 12 55.500 56.360 -0.860 1
1 153 . 17 1 1 A 15 15 ASP CB C 12 40.900 40.978 -0.078 1
1 154 . 17 1 1 A 15 15 ASP N N 12 116.800 119.188 -2.388 1
1 155 . 17 1 1 A 16 16 ILE H H 13 7.700 7.625 0.075 1
1 156 . 17 1 1 A 16 16 ILE HA H 13 4.000 4.178 -0.178 1
1 166 . 17 1 1 A 16 16 ILE C C 13 174.100 175.028 -0.928 1
1 167 . 17 1 1 A 16 16 ILE CA C 13 60.500 60.656 -0.156 1
1 168 . 17 1 1 A 16 16 ILE CB C 13 38.200 37.327 0.873 1
1 172 . 17 1 1 A 16 16 ILE N N 13 120.900 121.024 -0.124 1
1 173 . 17 1 1 A 17 17 LEU H H 14 7.970 8.780 -0.810 1
1 174 . 17 1 1 A 17 17 LEU HA H 14 4.370 4.561 -0.191 1
1 184 . 17 1 1 A 17 17 LEU CA C 14 53.800 53.492 0.308 1
1 185 . 17 1 1 A 17 17 LEU CB C 14 40.500 40.777 -0.277 1
1 189 . 17 1 1 A 17 17 LEU N N 14 127.800 129.752 -1.952 1
1 190 . 17 1 1 A 18 18 PRO HA H 15 4.080 4.319 -0.239 1
1 197 . 17 1 1 A 18 18 PRO C C 15 175.700 176.790 -1.090 1
1 198 . 17 1 1 A 18 18 PRO CA C 15 64.300 63.823 0.477 1
1 199 . 17 1 1 A 18 18 PRO CB C 15 31.600 31.878 -0.278 1
1 202 . 17 1 1 A 19 19 GLU H H 16 8.930 8.716 0.214 1
1 203 . 17 1 1 A 19 19 GLU HA H 16 3.660 3.841 -0.181 1
1 208 . 17 1 1 A 19 19 GLU C C 16 175.500 174.897 0.603 1
1 209 . 17 1 1 A 19 19 GLU CA C 16 58.300 57.401 0.899 1
1 210 . 17 1 1 A 19 19 GLU CB C 16 27.300 28.284 -0.984 1
1 212 . 17 1 1 A 19 19 GLU N N 16 113.700 116.759 -3.059 1
1 213 . 17 1 1 A 20 20 THR H H 17 7.790 7.187 0.603 1
1 214 . 17 1 1 A 20 20 THR HA H 17 5.080 4.952 0.128 1
1 220 . 17 1 1 A 20 20 THR C C 17 172.100 173.299 -1.199 1
1 221 . 17 1 1 A 20 20 THR CA C 17 60.700 60.462 0.238 1
1 222 . 17 1 1 A 20 20 THR CB C 17 73.100 71.911 1.189 1
1 224 . 17 1 1 A 20 20 THR N N 17 110.000 113.162 -3.162 1
1 225 . 17 1 1 A 21 21 GLY H H 18 8.080 8.841 -0.761 1
1 226 . 17 1 1 A 21 21 GLY HA2 H 18 3.070 4.177 -1.107 1
1 227 . 17 1 1 A 21 21 GLY HA3 H 18 5.270 4.182 1.088 1
1 228 . 17 1 1 A 21 21 GLY C C 18 173.400 172.245 1.155 1
1 229 . 17 1 1 A 21 21 GLY CA C 18 44.600 43.879 0.721 1
1 230 . 17 1 1 A 21 21 GLY N N 18 103.700 113.384 -9.684 1
1 231 . 17 1 1 A 22 22 VAL H H 19 8.520 9.258 -0.738 1
1 232 . 17 1 1 A 22 22 VAL HA H 19 4.570 4.934 -0.364 1
1 240 . 17 1 1 A 22 22 VAL C C 19 172.900 174.238 -1.338 1
1 241 . 17 1 1 A 22 22 VAL CA C 19 58.900 58.704 0.196 1
1 242 . 17 1 1 A 22 22 VAL CB C 19 35.900 35.230 0.670 1
1 245 . 17 1 1 A 22 22 VAL N N 19 112.900 117.484 -4.584 1
1 246 . 17 1 1 A 23 23 CYS H H 20 8.290 8.802 -0.512 1
1 247 . 17 1 1 A 23 23 CYS HA H 20 5.250 5.337 -0.087 1
1 250 . 17 1 1 A 23 23 CYS C C 20 173.500 173.820 -0.320 1
1 251 . 17 1 1 A 23 23 CYS CA C 20 56.300 57.135 -0.835 1
1 252 . 17 1 1 A 23 23 CYS CB C 20 27.600 29.754 -2.154 1
1 253 . 17 1 1 A 23 23 CYS N N 20 120.700 120.589 0.111 1
1 254 . 17 1 1 A 24 24 ALA H H 21 9.590 9.295 0.295 1
1 255 . 17 1 1 A 24 24 ALA HA H 21 4.580 5.126 -0.546 1
1 259 . 17 1 1 A 24 24 ALA C C 21 174.400 174.647 -0.247 1
1 260 . 17 1 1 A 24 24 ALA CA C 21 50.200 50.605 -0.405 1
1 261 . 17 1 1 A 24 24 ALA CB C 21 23.400 23.925 -0.525 1
1 262 . 17 1 1 A 24 24 ALA N N 21 132.500 124.743 7.757 1
1 263 . 17 1 1 A 25 25 LEU H H 22 8.100 8.726 -0.626 1
1 264 . 17 1 1 A 25 25 LEU HA H 22 4.860 5.102 -0.242 1
1 274 . 17 1 1 A 25 25 LEU C C 22 175.800 174.331 1.469 1
1 275 . 17 1 1 A 25 25 LEU CA C 22 53.800 53.282 0.518 1
1 276 . 17 1 1 A 25 25 LEU CB C 22 43.600 45.444 -1.844 1
1 280 . 17 1 1 A 25 25 LEU N N 22 120.700 121.627 -0.927 1
1 281 . 17 1 1 A 26 26 LEU H H 23 8.660 8.813 -0.153 1
1 282 . 17 1 1 A 26 26 LEU HA H 23 4.410 4.632 -0.222 1
1 292 . 17 1 1 A 26 26 LEU C C 23 176.600 176.747 -0.147 1
1 293 . 17 1 1 A 26 26 LEU CA C 23 53.100 53.280 -0.180 1
1 294 . 17 1 1 A 26 26 LEU CB C 23 43.400 43.038 0.362 1
1 298 . 17 1 1 A 26 26 LEU N N 23 125.800 128.416 -2.616 1
1 299 . 17 1 1 A 27 27 GLY H H 24 8.910 8.913 -0.003 1
1 300 . 17 1 1 A 27 27 GLY HA2 H 24 3.560 3.841 -0.281 1
1 301 . 17 1 1 A 27 27 GLY HA3 H 24 4.000 3.846 0.154 1
1 302 . 17 1 1 A 27 27 GLY C C 24 173.800 174.370 -0.570 1
1 303 . 17 1 1 A 27 27 GLY CA C 24 47.300 47.317 -0.017 1
1 304 . 17 1 1 A 27 27 GLY N N 24 118.300 115.843 2.457 1
1 305 . 17 1 1 A 28 28 ASP H H 25 8.800 8.726 0.074 1
1 306 . 17 1 1 A 28 28 ASP HA H 25 4.690 4.856 -0.166 1
1 309 . 17 1 1 A 28 28 ASP C C 25 176.100 175.601 0.499 1
1 310 . 17 1 1 A 28 28 ASP CA C 25 53.900 54.487 -0.587 1
1 311 . 17 1 1 A 28 28 ASP CB C 25 41.300 43.264 -1.964 1
1 312 . 17 1 1 A 28 28 ASP N N 25 126.600 124.781 1.819 1
1 313 . 17 1 1 A 29 29 GLU H H 26 8.100 7.573 0.527 1
1 314 . 17 1 1 A 29 29 GLU HA H 26 4.440 5.063 -0.623 1
1 319 . 17 1 1 A 29 29 GLU C C 26 174.800 175.288 -0.488 1
1 320 . 17 1 1 A 29 29 GLU CA C 26 55.800 55.080 0.720 1
1 321 . 17 1 1 A 29 29 GLU CB C 26 30.600 32.539 -1.939 1
1 323 . 17 1 1 A 29 29 GLU N N 26 120.400 115.916 4.484 1
1 324 . 17 1 1 A 30 30 GLN H H 27 8.640 8.548 0.092 1
1 325 . 17 1 1 A 30 30 GLN HA H 27 4.510 4.650 -0.140 1
1 332 . 17 1 1 A 30 30 GLN C C 27 175.800 175.166 0.634 1
1 333 . 17 1 1 A 30 30 GLN CA C 27 55.700 55.811 -0.111 1
1 334 . 17 1 1 A 30 30 GLN CB C 27 29.300 29.297 0.003 1
1 336 . 17 1 1 A 30 30 GLN N N 27 121.300 122.184 -0.884 1
1 338 . 17 1 1 A 31 31 VAL H H 28 9.280 8.980 0.300 1
1 339 . 17 1 1 A 31 31 VAL HA H 28 4.040 4.628 -0.588 1
1 347 . 17 1 1 A 31 31 VAL C C 28 172.900 174.079 -1.179 1
1 348 . 17 1 1 A 31 31 VAL CA C 28 61.900 60.402 1.498 1
1 349 . 17 1 1 A 31 31 VAL CB C 28 34.800 34.107 0.693 1
1 352 . 17 1 1 A 31 31 VAL N N 28 128.600 124.462 4.138 1
1 353 . 17 1 1 A 32 32 ALA H H 29 9.440 9.359 0.081 1
1 354 . 17 1 1 A 32 32 ALA HA H 29 4.680 5.029 -0.349 1
1 358 . 17 1 1 A 32 32 ALA C C 29 175.200 175.497 -0.297 1
1 359 . 17 1 1 A 32 32 ALA CA C 29 50.500 50.023 0.477 1
1 360 . 17 1 1 A 32 32 ALA CB C 29 20.200 20.165 0.035 1
1 361 . 17 1 1 A 32 32 ALA N N 29 130.400 128.978 1.422 1
1 362 . 17 1 1 A 33 33 ILE H H 30 8.590 9.060 -0.470 1
1 363 . 17 1 1 A 33 33 ILE HA H 30 4.680 4.830 -0.150 1
1 373 . 17 1 1 A 33 33 ILE C C 30 174.800 174.528 0.272 1
1 374 . 17 1 1 A 33 33 ILE CA C 30 59.900 60.284 -0.384 1
1 375 . 17 1 1 A 33 33 ILE CB C 30 39.300 39.108 0.192 1
1 379 . 17 1 1 A 33 33 ILE N N 30 120.600 123.715 -3.115 1
1 380 . 17 1 1 A 34 34 PHE H H 31 9.430 9.654 -0.224 1
1 381 . 17 1 1 A 34 34 PHE HA H 31 5.070 5.240 -0.170 1
1 386 . 17 1 1 A 34 34 PHE C C 31 174.800 174.479 0.321 1
1 387 . 17 1 1 A 34 34 PHE CA C 31 57.200 56.385 0.815 1
1 388 . 17 1 1 A 34 34 PHE CB C 31 43.400 41.640 1.760 1
1 391 . 17 1 1 A 34 34 PHE N N 31 121.800 125.978 -4.178 1
1 392 . 17 1 1 A 35 35 ARG H H 32 8.450 9.115 -0.665 1
1 393 . 17 1 1 A 35 35 ARG HA H 32 5.470 4.925 0.545 1
1 403 . 17 1 1 A 35 35 ARG CA C 32 52.000 52.585 -0.585 1
1 404 . 17 1 1 A 35 35 ARG CB C 32 33.200 31.462 1.738 1
1 407 . 17 1 1 A 35 35 ARG N N 32 123.000 124.795 -1.795 1
1 410 . 17 1 1 A 36 36 PRO HA H 33 3.910 4.568 -0.658 1
1 417 . 17 1 1 A 36 36 PRO C C 33 174.300 175.916 -1.616 1
1 418 . 17 1 1 A 36 36 PRO CA C 33 64.600 63.903 0.697 1
1 419 . 17 1 1 A 36 36 PRO CB C 33 32.800 31.898 0.902 1
1 422 . 17 1 1 A 37 37 TYR H H 34 9.000 7.811 1.189 1
1 423 . 17 1 1 A 37 37 TYR HA H 34 5.250 4.902 0.348 1
1 430 . 17 1 1 A 37 37 TYR C C 34 175.000 176.164 -1.164 1
1 431 . 17 1 1 A 37 37 TYR CA C 34 54.200 57.057 -2.857 1
1 432 . 17 1 1 A 37 37 TYR CB C 34 41.000 40.336 0.664 1
1 437 . 17 1 1 A 37 37 TYR N N 34 115.500 118.712 -3.212 1
1 438 . 17 1 1 A 38 38 HIS H H 35 8.700 8.552 0.148 1
1 439 . 17 1 1 A 38 38 HIS HA H 35 4.490 4.606 -0.116 1
1 444 . 17 1 1 A 38 38 HIS C C 35 175.800 174.984 0.816 1
1 445 . 17 1 1 A 38 38 HIS CA C 35 56.400 56.944 -0.544 1
1 446 . 17 1 1 A 38 38 HIS CB C 35 28.600 29.766 -1.166 1
1 449 . 17 1 1 A 38 38 HIS N N 35 119.000 121.360 -2.360 1
1 450 . 17 1 1 A 39 39 SER H H 36 7.890 8.320 -0.430 1
1 451 . 17 1 1 A 39 39 SER HA H 36 4.770 4.681 0.089 1
1 454 . 17 1 1 A 39 39 SER C C 36 173.800 175.083 -1.283 1
1 455 . 17 1 1 A 39 39 SER CA C 36 57.000 58.526 -1.526 1
1 456 . 17 1 1 A 39 39 SER CB C 36 64.700 64.097 0.603 1
1 457 . 17 1 1 A 39 39 SER N N 36 115.500 115.213 0.287 1
1 458 . 17 1 1 A 40 40 ASP H H 37 8.540 8.133 0.407 1
1 459 . 17 1 1 A 40 40 ASP HA H 37 4.540 4.880 -0.340 1
1 462 . 17 1 1 A 40 40 ASP C C 37 174.700 175.341 -0.641 1
1 463 . 17 1 1 A 40 40 ASP CA C 37 53.800 53.352 0.448 1
1 464 . 17 1 1 A 40 40 ASP CB C 37 39.600 41.974 -2.374 1
1 465 . 17 1 1 A 40 40 ASP N N 37 119.400 116.106 3.294 1
1 466 . 17 1 1 A 41 41 GLN H H 38 7.490 7.620 -0.130 1
1 467 . 17 1 1 A 41 41 GLN HA H 38 4.140 4.781 -0.641 1
1 474 . 17 1 1 A 41 41 GLN C C 38 175.500 174.917 0.583 1
1 475 . 17 1 1 A 41 41 GLN CA C 38 57.100 54.630 2.470 1
1 476 . 17 1 1 A 41 41 GLN CB C 38 29.400 30.920 -1.520 1
1 479 . 17 1 1 A 41 41 GLN N N 38 118.700 121.370 -2.670 1
1 481 . 17 1 1 A 42 42 VAL H H 39 7.800 8.798 -0.998 1
1 482 . 17 1 1 A 42 42 VAL HA H 39 5.600 5.128 0.472 1
1 490 . 17 1 1 A 42 42 VAL C C 39 174.200 174.153 0.047 1
1 491 . 17 1 1 A 42 42 VAL CA C 39 58.200 59.364 -1.164 1
1 492 . 17 1 1 A 42 42 VAL CB C 39 36.500 35.749 0.751 1
1 495 . 17 1 1 A 42 42 VAL N N 39 116.100 120.672 -4.572 1
1 496 . 17 1 1 A 43 43 PHE H H 40 8.480 9.352 -0.872 1
1 497 . 17 1 1 A 43 43 PHE HA H 40 4.870 5.396 -0.526 1
1 504 . 17 1 1 A 43 43 PHE C C 40 173.900 174.978 -1.078 1
1 505 . 17 1 1 A 43 43 PHE CA C 40 56.800 56.198 0.602 1
1 506 . 17 1 1 A 43 43 PHE CB C 40 45.300 43.465 1.835 1
1 511 . 17 1 1 A 43 43 PHE N N 40 117.200 121.582 -4.382 1
1 512 . 17 1 1 A 44 44 ALA H H 41 9.520 9.108 0.412 1
1 513 . 17 1 1 A 44 44 ALA HA H 41 6.200 5.773 0.427 1
1 517 . 17 1 1 A 44 44 ALA C C 41 176.300 175.941 0.359 1
1 518 . 17 1 1 A 44 44 ALA CA C 41 50.900 51.021 -0.121 1
1 519 . 17 1 1 A 44 44 ALA CB C 41 24.100 22.405 1.695 1
1 520 . 17 1 1 A 44 44 ALA N N 41 125.100 122.695 2.405 1
1 521 . 17 1 1 A 45 45 ILE H H 42 8.970 8.892 0.078 1
1 522 . 17 1 1 A 45 45 ILE HA H 42 5.580 5.312 0.268 1
1 532 . 17 1 1 A 45 45 ILE C C 42 174.600 174.952 -0.352 1
1 533 . 17 1 1 A 45 45 ILE CA C 42 59.300 58.732 0.568 1
1 534 . 17 1 1 A 45 45 ILE CB C 42 44.300 42.068 2.232 1
1 538 . 17 1 1 A 45 45 ILE N N 42 117.100 118.334 -1.234 1
1 539 . 17 1 1 A 46 46 SER H H 43 8.460 8.517 -0.057 1
1 540 . 17 1 1 A 46 46 SER HA H 43 4.350 4.614 -0.264 1
1 543 . 17 1 1 A 46 46 SER C C 43 172.100 174.542 -2.442 1
1 544 . 17 1 1 A 46 46 SER CA C 43 59.500 60.100 -0.600 1
1 545 . 17 1 1 A 46 46 SER CB C 43 64.900 63.601 1.299 1
1 546 . 17 1 1 A 46 46 SER N N 43 112.400 119.084 -6.684 1
1 547 . 17 1 1 A 47 47 ASN H H 44 7.990 8.929 -0.939 1
1 548 . 17 1 1 A 47 47 ASN HA H 44 4.940 4.546 0.394 1
1 553 . 17 1 1 A 47 47 ASN C C 44 175.800 175.139 0.661 1
1 554 . 17 1 1 A 47 47 ASN CA C 44 53.800 55.147 -1.347 1
1 555 . 17 1 1 A 47 47 ASN CB C 44 40.600 38.878 1.722 1
1 556 . 17 1 1 A 47 47 ASN N N 44 117.800 122.929 -5.129 1
1 558 . 17 1 1 A 48 48 ILE H H 45 8.190 7.666 0.524 1
1 559 . 17 1 1 A 48 48 ILE HA H 45 4.100 4.154 -0.054 1
1 569 . 17 1 1 A 48 48 ILE C C 45 175.200 175.223 -0.023 1
1 570 . 17 1 1 A 48 48 ILE CA C 45 59.400 60.721 -1.321 1
1 571 . 17 1 1 A 48 48 ILE CB C 45 36.500 38.823 -2.323 1
1 575 . 17 1 1 A 48 48 ILE N N 45 118.300 120.359 -2.059 1
1 576 . 17 1 1 A 49 49 ASP H H 46 8.720 8.792 -0.072 1
1 577 . 17 1 1 A 49 49 ASP HA H 46 4.530 4.687 -0.157 1
1 580 . 17 1 1 A 49 49 ASP CA C 46 51.400 52.639 -1.239 1
1 581 . 17 1 1 A 49 49 ASP CB C 46 42.900 40.809 2.091 1
1 582 . 17 1 1 A 49 49 ASP N N 46 128.600 126.468 2.132 1
1 583 . 17 1 1 A 50 50 PRO HA H 47 4.500 4.277 0.223 1
1 590 . 17 1 1 A 50 50 PRO C C 47 177.800 178.823 -1.023 1
1 591 . 17 1 1 A 50 50 PRO CA C 47 63.700 65.917 -2.217 1
1 592 . 17 1 1 A 50 50 PRO CB C 47 32.200 31.388 0.812 1
1 595 . 17 1 1 A 51 51 PHE H H 48 9.270 8.245 1.025 1
1 596 . 17 1 1 A 51 51 PHE HA H 48 3.980 4.447 -0.467 1
1 601 . 17 1 1 A 51 51 PHE C C 48 177.100 178.149 -1.049 1
1 602 . 17 1 1 A 51 51 PHE CA C 48 61.400 59.390 2.010 1
1 603 . 17 1 1 A 51 51 PHE CB C 48 37.900 40.023 -2.123 1
1 606 . 17 1 1 A 51 51 PHE N N 48 121.800 117.335 4.465 1
1 607 . 17 1 1 A 52 52 PHE H H 49 7.440 8.363 -0.923 1
1 608 . 17 1 1 A 52 52 PHE HA H 49 4.560 4.300 0.260 1
1 616 . 17 1 1 A 52 52 PHE C C 49 176.100 175.358 0.742 1
1 617 . 17 1 1 A 52 52 PHE CA C 49 58.300 60.821 -2.521 1
1 618 . 17 1 1 A 52 52 PHE CB C 49 42.000 39.721 2.279 1
1 624 . 17 1 1 A 52 52 PHE N N 49 114.500 120.330 -5.830 1
1 625 . 17 1 1 A 53 53 GLU H H 50 8.590 8.173 0.417 1
1 626 . 17 1 1 A 53 53 GLU HA H 50 3.780 4.274 -0.494 1
1 631 . 17 1 1 A 53 53 GLU C C 50 175.000 174.974 0.026 1
1 632 . 17 1 1 A 53 53 GLU CA C 50 57.300 57.037 0.263 1
1 633 . 17 1 1 A 53 53 GLU CB C 50 27.100 28.373 -1.273 1
1 635 . 17 1 1 A 53 53 GLU N N 50 120.300 117.943 2.357 1
1 636 . 17 1 1 A 54 54 SER H H 51 7.100 8.427 -1.327 1
1 637 . 17 1 1 A 54 54 SER HA H 51 4.910 4.998 -0.088 1
1 640 . 17 1 1 A 54 54 SER CA C 51 56.500 57.686 -1.186 1
1 641 . 17 1 1 A 54 54 SER CB C 51 66.100 67.446 -1.346 1
1 642 . 17 1 1 A 54 54 SER N N 51 110.300 117.119 -6.819 1
1 643 . 17 1 1 A 55 55 SER HA H 52 4.550 4.452 0.098 1
1 646 . 17 1 1 A 55 55 SER C C 52 173.500 174.858 -1.358 1
1 647 . 17 1 1 A 55 55 SER CA C 52 56.700 59.823 -3.123 1
1 648 . 17 1 1 A 55 55 SER CB C 52 62.100 63.431 -1.331 1
1 649 . 17 1 1 A 56 56 VAL H H 53 7.590 7.738 -0.148 1
1 650 . 17 1 1 A 56 56 VAL HA H 53 4.900 4.514 0.386 1
1 658 . 17 1 1 A 56 56 VAL C C 53 176.800 175.950 0.850 1
1 659 . 17 1 1 A 56 56 VAL CA C 53 61.300 59.856 1.444 1
1 660 . 17 1 1 A 56 56 VAL CB C 53 36.200 34.715 1.485 1
1 663 . 17 1 1 A 56 56 VAL N N 53 117.400 117.618 -0.218 1
1 664 . 17 1 1 A 57 57 LEU H H 54 8.690 8.245 0.445 1
1 665 . 17 1 1 A 57 57 LEU HA H 54 3.930 4.412 -0.482 1
1 675 . 17 1 1 A 57 57 LEU C C 54 179.500 177.893 1.607 1
1 676 . 17 1 1 A 57 57 LEU CA C 54 60.000 55.522 4.478 1
1 677 . 17 1 1 A 57 57 LEU CB C 54 40.800 41.959 -1.159 1
1 681 . 17 1 1 A 57 57 LEU N N 54 121.100 126.274 -5.174 1
1 682 . 17 1 1 A 58 58 SER H H 55 9.750 7.925 1.825 1
1 683 . 17 1 1 A 58 58 SER HA H 55 3.800 4.600 -0.800 1
1 686 . 17 1 1 A 58 58 SER C C 55 174.100 175.159 -1.059 1
1 687 . 17 1 1 A 58 58 SER CA C 55 61.600 59.678 1.922 1
1 688 . 17 1 1 A 58 58 SER CB C 55 61.900 63.525 -1.625 1
1 689 . 17 1 1 A 58 58 SER N N 55 113.400 113.842 -0.442 1
1 690 . 17 1 1 A 59 59 ARG H H 56 7.510 7.804 -0.294 1
1 691 . 17 1 1 A 59 59 ARG HA H 56 4.560 4.550 0.010 1
1 698 . 17 1 1 A 59 59 ARG C C 56 177.500 175.217 2.283 1
1 699 . 17 1 1 A 59 59 ARG CA C 56 55.400 55.509 -0.109 1
1 700 . 17 1 1 A 59 59 ARG CB C 56 30.400 30.086 0.314 1
1 703 . 17 1 1 A 59 59 ARG N N 56 118.400 119.392 -0.992 1
1 704 . 17 1 1 A 60 60 GLY H H 57 8.550 7.960 0.590 1
1 705 . 17 1 1 A 60 60 GLY HA2 H 57 4.020 4.307 -0.287 1
1 706 . 17 1 1 A 60 60 GLY HA3 H 57 4.020 4.321 -0.301 1
1 707 . 17 1 1 A 60 60 GLY C C 57 171.200 172.853 -1.653 1
1 708 . 17 1 1 A 60 60 GLY CA C 57 45.400 44.297 1.103 1
1 709 . 17 1 1 A 60 60 GLY N N 57 108.600 108.171 0.429 1
1 710 . 17 1 1 A 61 61 LEU H H 58 7.740 8.288 -0.548 1
1 711 . 17 1 1 A 61 61 LEU HA H 58 4.640 4.897 -0.257 1
1 721 . 17 1 1 A 61 61 LEU C C 58 177.000 176.160 0.840 1
1 722 . 17 1 1 A 61 61 LEU CA C 58 54.200 53.523 0.677 1
1 723 . 17 1 1 A 61 61 LEU CB C 58 43.700 43.285 0.415 1
1 727 . 17 1 1 A 61 61 LEU N N 58 119.100 117.383 1.717 1
1 728 . 17 1 1 A 62 62 ILE H H 59 8.780 8.729 0.051 1
1 729 . 17 1 1 A 62 62 ILE HA H 59 4.660 4.684 -0.024 1
1 739 . 17 1 1 A 62 62 ILE C C 59 175.500 174.955 0.545 1
1 740 . 17 1 1 A 62 62 ILE CA C 59 60.600 60.721 -0.121 1
1 741 . 17 1 1 A 62 62 ILE CB C 59 38.700 38.756 -0.056 1
1 745 . 17 1 1 A 62 62 ILE N N 59 126.500 123.012 3.488 1
1 746 . 17 1 1 A 63 63 ALA H H 60 9.110 9.340 -0.230 1
1 747 . 17 1 1 A 63 63 ALA HA H 60 4.590 5.175 -0.585 1
1 751 . 17 1 1 A 63 63 ALA C C 60 175.000 175.022 -0.022 1
1 752 . 17 1 1 A 63 63 ALA CA C 60 51.300 50.081 1.219 1
1 753 . 17 1 1 A 63 63 ALA CB C 60 23.100 23.518 -0.418 1
1 754 . 17 1 1 A 63 63 ALA N N 60 129.300 129.350 -0.050 1
1 755 . 17 1 1 A 64 64 GLU H H 61 8.460 8.788 -0.328 1
1 756 . 17 1 1 A 64 64 GLU HA H 61 5.070 4.988 0.082 1
1 761 . 17 1 1 A 64 64 GLU C C 61 176.000 175.551 0.449 1
1 762 . 17 1 1 A 64 64 GLU CA C 61 55.100 55.361 -0.261 1
1 763 . 17 1 1 A 64 64 GLU CB C 61 31.200 31.858 -0.658 1
1 765 . 17 1 1 A 64 64 GLU N N 61 121.500 120.971 0.529 1
1 766 . 17 1 1 A 65 65 HIS H H 62 9.310 8.972 0.338 1
1 767 . 17 1 1 A 65 65 HIS HA H 62 4.740 4.797 -0.057 1
1 772 . 17 1 1 A 65 65 HIS CA C 62 56.400 56.383 0.017 1
1 773 . 17 1 1 A 65 65 HIS CB C 62 32.600 33.150 -0.550 1
1 776 . 17 1 1 A 65 65 HIS N N 62 123.500 125.454 -1.954 1
1 777 . 17 1 1 A 66 66 GLN HA H 63 3.870 4.333 -0.463 1
1 784 . 17 1 1 A 66 66 GLN C C 63 176.000 176.068 -0.068 1
1 785 . 17 1 1 A 66 66 GLN CA C 63 56.600 54.976 1.624 1
1 786 . 17 1 1 A 66 66 GLN CB C 63 26.800 29.692 -2.892 1
1 790 . 17 1 1 A 67 67 GLY H H 64 8.970 8.740 0.230 1
1 791 . 17 1 1 A 67 67 GLY HA2 H 64 3.680 3.917 -0.237 1
1 792 . 17 1 1 A 67 67 GLY HA3 H 64 4.140 3.920 0.220 1
1 793 . 17 1 1 A 67 67 GLY C C 64 173.800 173.598 0.202 1
1 794 . 17 1 1 A 67 67 GLY CA C 64 45.600 45.638 -0.038 1
1 795 . 17 1 1 A 67 67 GLY N N 64 104.200 110.358 -6.158 1
1 796 . 17 1 1 A 68 68 GLU H H 65 7.850 8.162 -0.312 1
1 797 . 17 1 1 A 68 68 GLU HA H 65 4.810 4.825 -0.015 1
1 802 . 17 1 1 A 68 68 GLU C C 65 174.400 175.072 -0.672 1
1 803 . 17 1 1 A 68 68 GLU CA C 65 54.100 54.274 -0.174 1
1 804 . 17 1 1 A 68 68 GLU CB C 65 34.000 32.970 1.030 1
1 806 . 17 1 1 A 68 68 GLU N N 65 118.800 119.712 -0.912 1
1 807 . 17 1 1 A 69 69 LEU H H 66 8.030 8.292 -0.262 1
1 808 . 17 1 1 A 69 69 LEU HA H 66 4.920 4.696 0.224 1
1 818 . 17 1 1 A 69 69 LEU C C 66 177.100 175.448 1.652 1
1 819 . 17 1 1 A 69 69 LEU CA C 66 54.300 53.810 0.490 1
1 820 . 17 1 1 A 69 69 LEU CB C 66 44.500 41.434 3.066 1
1 824 . 17 1 1 A 69 69 LEU N N 66 119.000 123.648 -4.648 1
1 825 . 17 1 1 A 70 70 TRP H H 67 8.980 9.050 -0.070 1
1 826 . 17 1 1 A 70 70 TRP HA H 67 5.140 5.410 -0.270 1
1 835 . 17 1 1 A 70 70 TRP C C 67 174.400 175.323 -0.923 1
1 836 . 17 1 1 A 70 70 TRP CA C 67 55.100 56.020 -0.920 1
1 837 . 17 1 1 A 70 70 TRP CB C 67 31.800 31.041 0.759 1
1 843 . 17 1 1 A 70 70 TRP N N 67 122.200 126.289 -4.089 1
1 845 . 17 1 1 A 71 71 VAL H H 68 9.490 9.410 0.080 1
1 846 . 17 1 1 A 71 71 VAL HA H 68 4.990 4.972 0.018 1
1 854 . 17 1 1 A 71 71 VAL C C 68 173.000 173.740 -0.740 1
1 855 . 17 1 1 A 71 71 VAL CA C 68 58.500 59.902 -1.402 1
1 856 . 17 1 1 A 71 71 VAL CB C 68 34.300 34.072 0.228 1
1 859 . 17 1 1 A 71 71 VAL N N 68 120.900 124.713 -3.813 1
1 860 . 17 1 1 A 72 72 ALA H H 69 8.550 9.353 -0.803 1
1 861 . 17 1 1 A 72 72 ALA HA H 69 5.280 5.587 -0.307 1
1 865 . 17 1 1 A 72 72 ALA C C 69 178.000 175.798 2.202 1
1 866 . 17 1 1 A 72 72 ALA CA C 69 49.200 50.310 -1.110 1
1 867 . 17 1 1 A 72 72 ALA CB C 69 19.700 20.806 -1.106 1
1 868 . 17 1 1 A 72 72 ALA N N 69 130.000 131.514 -1.514 1
1 869 . 17 1 1 A 73 73 SER H H 70 9.470 8.776 0.694 1
1 870 . 17 1 1 A 73 73 SER HA H 70 4.540 4.648 -0.108 1
1 873 . 17 1 1 A 73 73 SER CA C 70 55.700 56.934 -1.234 1
1 874 . 17 1 1 A 73 73 SER CB C 70 64.400 63.294 1.106 1
1 875 . 17 1 1 A 73 73 SER N N 70 118.100 121.978 -3.878 1
1 876 . 17 1 1 A 74 74 PRO HA H 71 4.540 4.539 0.001 1
1 883 . 17 1 1 A 74 74 PRO C C 71 176.700 177.444 -0.744 1
1 884 . 17 1 1 A 74 74 PRO CA C 71 64.000 63.728 0.272 1
1 885 . 17 1 1 A 74 74 PRO CB C 71 32.300 32.144 0.156 1
1 888 . 17 1 1 A 75 75 LEU H H 72 7.850 8.173 -0.323 1
1 889 . 17 1 1 A 75 75 LEU HA H 72 4.330 4.093 0.237 1
1 899 . 17 1 1 A 75 75 LEU CA C 72 56.200 57.890 -1.690 1
1 900 . 17 1 1 A 75 75 LEU CB C 72 38.500 41.762 -3.262 1
1 904 . 17 1 1 A 75 75 LEU N N 72 119.300 118.487 0.813 1
1 905 . 17 1 1 A 76 76 LYS HA H 73 4.470 4.573 -0.103 1
1 914 . 17 1 1 A 76 76 LYS C C 73 176.600 175.993 0.607 1
1 915 . 17 1 1 A 76 76 LYS CA C 73 54.600 54.779 -0.179 1
1 916 . 17 1 1 A 76 76 LYS CB C 73 31.700 33.131 -1.431 1
1 920 . 17 1 1 A 77 77 LYS H H 74 7.240 7.552 -0.312 1
1 921 . 17 1 1 A 77 77 LYS HA H 74 4.440 3.912 0.528 1
1 930 . 17 1 1 A 77 77 LYS C C 74 175.500 175.306 0.194 1
1 931 . 17 1 1 A 77 77 LYS CA C 74 57.800 57.085 0.715 1
1 932 . 17 1 1 A 77 77 LYS CB C 74 28.600 30.908 -2.308 1
1 936 . 17 1 1 A 77 77 LYS N N 74 110.900 118.246 -7.346 1
1 937 . 17 1 1 A 78 78 GLN H H 75 8.080 7.541 0.539 1
1 938 . 17 1 1 A 78 78 GLN HA H 75 4.030 4.766 -0.736 1
1 945 . 17 1 1 A 78 78 GLN C C 75 174.500 174.199 0.301 1
1 946 . 17 1 1 A 78 78 GLN CA C 75 58.400 54.343 4.057 1
1 947 . 17 1 1 A 78 78 GLN CB C 75 27.400 30.951 -3.551 1
1 949 . 17 1 1 A 78 78 GLN N N 75 119.100 115.859 3.241 1
1 951 . 17 1 1 A 79 79 ARG H H 76 9.800 8.618 1.182 1
1 952 . 17 1 1 A 79 79 ARG HA H 76 5.310 4.890 0.420 1
1 960 . 17 1 1 A 79 79 ARG C C 76 175.800 175.240 0.560 1
1 961 . 17 1 1 A 79 79 ARG CA C 76 55.300 55.064 0.236 1
1 962 . 17 1 1 A 79 79 ARG CB C 76 33.100 31.458 1.642 1
1 965 . 17 1 1 A 79 79 ARG N N 76 122.800 124.477 -1.677 1
1 967 . 17 1 1 A 80 80 PHE H H 77 9.220 9.415 -0.195 1
1 968 . 17 1 1 A 80 80 PHE HA H 77 5.630 5.080 0.550 1
1 976 . 17 1 1 A 80 80 PHE C C 77 175.300 174.528 0.772 1
1 977 . 17 1 1 A 80 80 PHE CA C 77 55.800 56.393 -0.593 1
1 978 . 17 1 1 A 80 80 PHE CB C 77 41.300 42.388 -1.088 1
1 984 . 17 1 1 A 80 80 PHE N N 77 119.400 122.974 -3.574 1
1 985 . 17 1 1 A 81 81 ARG H H 78 9.870 8.826 1.044 1
1 986 . 17 1 1 A 81 81 ARG HA H 78 3.490 3.904 -0.414 1
1 996 . 17 1 1 A 81 81 ARG C C 78 177.400 176.269 1.131 1
1 997 . 17 1 1 A 81 81 ARG CA C 78 58.100 54.833 3.267 1
1 998 . 17 1 1 A 81 81 ARG CB C 78 30.500 28.989 1.511 1
1 1001 . 17 1 1 A 81 81 ARG N N 78 130.100 124.439 5.661 1
1 1004 . 17 1 1 A 82 82 LEU H H 79 7.860 7.714 0.146 1
1 1005 . 17 1 1 A 82 82 LEU HA H 79 3.790 3.964 -0.174 1
1 1015 . 17 1 1 A 82 82 LEU C C 79 177.500 177.214 0.286 1
1 1016 . 17 1 1 A 82 82 LEU CA C 79 57.600 56.875 0.725 1
1 1017 . 17 1 1 A 82 82 LEU CB C 79 39.600 41.635 -2.035 1
1 1021 . 17 1 1 A 82 82 LEU N N 79 125.300 124.729 0.571 1
1 1022 . 17 1 1 A 83 83 SER H H 80 8.000 7.522 0.478 1
1 1023 . 17 1 1 A 83 83 SER HA H 80 4.200 3.159 1.041 1
1 1026 . 17 1 1 A 83 83 SER C C 80 176.600 174.362 2.238 1
1 1027 . 17 1 1 A 83 83 SER CA C 80 60.100 59.830 0.270 1
1 1028 . 17 1 1 A 83 83 SER CB C 80 62.500 62.776 -0.276 1
1 1029 . 17 1 1 A 83 83 SER N N 80 109.700 113.511 -3.811 1
1 1030 . 17 1 1 A 84 84 ASP H H 81 7.100 7.882 -0.782 1
1 1031 . 17 1 1 A 84 84 ASP HA H 81 4.090 4.728 -0.638 1
1 1034 . 17 1 1 A 84 84 ASP C C 81 175.900 176.197 -0.297 1
1 1035 . 17 1 1 A 84 84 ASP CA C 81 53.500 55.585 -2.085 1
1 1036 . 17 1 1 A 84 84 ASP CB C 81 41.900 43.860 -1.960 1
1 1037 . 17 1 1 A 84 84 ASP N N 81 117.300 120.881 -3.581 1
1 1038 . 17 1 1 A 85 85 GLY H H 82 8.860 8.411 0.449 1
1 1039 . 17 1 1 A 85 85 GLY HA2 H 82 3.590 4.082 -0.492 1
1 1040 . 17 1 1 A 85 85 GLY HA3 H 82 4.810 4.110 0.700 1
1 1041 . 17 1 1 A 85 85 GLY C C 82 173.700 174.540 -0.840 1
1 1042 . 17 1 1 A 85 85 GLY CA C 82 45.900 45.162 0.738 1
1 1043 . 17 1 1 A 85 85 GLY N N 82 111.300 107.494 3.806 1
1 1044 . 17 1 1 A 86 86 LEU H H 83 7.430 7.465 -0.035 1
1 1045 . 17 1 1 A 86 86 LEU HA H 83 4.290 4.258 0.032 1
1 1055 . 17 1 1 A 86 86 LEU C C 83 176.600 176.148 0.452 1
1 1056 . 17 1 1 A 86 86 LEU CA C 83 56.200 55.951 0.249 1
1 1057 . 17 1 1 A 86 86 LEU CB C 83 43.100 42.608 0.492 1
1 1061 . 17 1 1 A 86 86 LEU N N 83 120.800 122.647 -1.847 1
1 1062 . 17 1 1 A 87 87 CYS H H 84 8.080 8.577 -0.497 1
1 1063 . 17 1 1 A 87 87 CYS HA H 84 5.290 4.962 0.328 1
1 1066 . 17 1 1 A 87 87 CYS C C 84 175.300 175.216 0.084 1
1 1067 . 17 1 1 A 87 87 CYS CA C 84 56.600 57.140 -0.540 1
1 1068 . 17 1 1 A 87 87 CYS CB C 84 27.800 29.067 -1.267 1
1 1069 . 17 1 1 A 87 87 CYS N N 84 126.300 126.530 -0.230 1
1 1070 . 17 1 1 A 88 88 MET H H 85 8.760 8.959 -0.199 1
1 1071 . 17 1 1 A 88 88 MET HA H 85 3.630 4.169 -0.539 1
1 1079 . 17 1 1 A 88 88 MET C C 85 177.500 177.624 -0.124 1
1 1080 . 17 1 1 A 88 88 MET CA C 85 58.800 57.603 1.197 1
1 1081 . 17 1 1 A 88 88 MET CB C 85 33.800 32.388 1.412 1
1 1084 . 17 1 1 A 88 88 MET N N 85 130.500 126.625 3.875 1
1 1085 . 17 1 1 A 89 89 GLU H H 86 9.160 7.898 1.262 1
1 1086 . 17 1 1 A 89 89 GLU HA H 86 3.770 4.162 -0.392 1
1 1091 . 17 1 1 A 89 89 GLU C C 86 177.500 177.687 -0.187 1
1 1092 . 17 1 1 A 89 89 GLU CA C 86 60.900 58.831 2.069 1
1 1093 . 17 1 1 A 89 89 GLU CB C 86 29.300 30.263 -0.963 1
1 1095 . 17 1 1 A 89 89 GLU N N 86 119.200 118.851 0.349 1
1 1096 . 17 1 1 A 90 90 ASP H H 87 7.080 7.886 -0.806 1
1 1097 . 17 1 1 A 90 90 ASP HA H 87 4.590 4.934 -0.344 1
1 1100 . 17 1 1 A 90 90 ASP CA C 87 54.700 54.235 0.465 1
1 1101 . 17 1 1 A 90 90 ASP CB C 87 41.800 41.796 0.004 1
1 1102 . 17 1 1 A 90 90 ASP N N 87 115.800 116.273 -0.473 1
1 1103 . 17 1 1 A 91 91 GLU H H 88 9.340 7.939 1.401 1
1 1104 . 17 1 1 A 91 91 GLU HA H 88 4.290 4.418 -0.128 1
1 1109 . 17 1 1 A 91 91 GLU C C 88 178.900 178.195 0.705 1
1 1110 . 17 1 1 A 91 91 GLU CA C 88 59.000 59.518 -0.518 1
1 1111 . 17 1 1 A 91 91 GLU CB C 88 29.100 29.165 -0.065 1
1 1113 . 17 1 1 A 91 91 GLU N N 88 127.400 119.684 7.716 1
1 1114 . 17 1 1 A 92 92 GLN H H 89 8.920 8.030 0.890 1
1 1115 . 17 1 1 A 92 92 GLN HA H 89 4.170 3.859 0.311 1
1 1122 . 17 1 1 A 92 92 GLN C C 89 176.600 176.354 0.246 1
1 1123 . 17 1 1 A 92 92 GLN CA C 89 57.800 58.338 -0.538 1
1 1124 . 17 1 1 A 92 92 GLN CB C 89 28.400 28.585 -0.185 1
1 1127 . 17 1 1 A 92 92 GLN N N 89 120.400 118.994 1.406 1
1 1129 . 17 1 1 A 93 93 PHE H H 90 8.150 8.618 -0.468 1
1 1130 . 17 1 1 A 93 93 PHE HA H 90 4.430 4.705 -0.275 1
1 1138 . 17 1 1 A 93 93 PHE C C 90 172.600 176.343 -3.743 1
1 1139 . 17 1 1 A 93 93 PHE CA C 90 57.800 58.881 -1.081 1
1 1140 . 17 1 1 A 93 93 PHE CB C 90 39.300 40.776 -1.476 1
1 1146 . 17 1 1 A 93 93 PHE N N 90 119.700 115.035 4.665 1
1 1147 . 17 1 1 A 94 94 SER H H 91 7.020 8.417 -1.397 1
1 1148 . 17 1 1 A 94 94 SER HA H 91 4.870 4.681 0.189 1
1 1152 . 17 1 1 A 94 94 SER C C 91 174.100 174.060 0.040 1
1 1153 . 17 1 1 A 94 94 SER CA C 91 60.900 61.008 -0.108 1
1 1154 . 17 1 1 A 94 94 SER CB C 91 63.600 62.228 1.372 1
1 1155 . 17 1 1 A 94 94 SER N N 91 112.700 112.991 -0.291 1
1 1156 . 17 1 1 A 95 95 VAL H H 92 9.120 8.008 1.112 1
1 1157 . 17 1 1 A 95 95 VAL HA H 92 4.810 4.650 0.160 1
1 1165 . 17 1 1 A 95 95 VAL C C 92 175.700 175.471 0.229 1
1 1166 . 17 1 1 A 95 95 VAL CA C 92 59.200 60.598 -1.398 1
1 1167 . 17 1 1 A 95 95 VAL CB C 92 35.700 33.294 2.406 1
1 1170 . 17 1 1 A 95 95 VAL N N 92 116.900 119.732 -2.832 1
1 1171 . 17 1 1 A 96 96 LYS H H 93 8.390 8.322 0.068 1
1 1172 . 17 1 1 A 96 96 LYS HA H 93 4.010 4.717 -0.707 1
1 1181 . 17 1 1 A 96 96 LYS C C 93 174.800 176.184 -1.384 1
1 1182 . 17 1 1 A 96 96 LYS CA C 93 57.700 55.686 2.014 1
1 1183 . 17 1 1 A 96 96 LYS CB C 93 34.000 33.410 0.590 1
1 1187 . 17 1 1 A 96 96 LYS N N 93 120.300 120.994 -0.694 1
1 1188 . 17 1 1 A 97 97 HIS H H 94 8.030 8.889 -0.859 1
1 1189 . 17 1 1 A 97 97 HIS HA H 94 5.060 5.437 -0.377 1
1 1194 . 17 1 1 A 97 97 HIS C C 94 172.600 174.436 -1.836 1
1 1195 . 17 1 1 A 97 97 HIS CA C 94 54.700 54.321 0.379 1
1 1196 . 17 1 1 A 97 97 HIS CB C 94 31.400 31.719 -0.319 1
1 1199 . 17 1 1 A 97 97 HIS N N 94 121.000 119.814 1.186 1
1 1200 . 17 1 1 A 98 98 TYR H H 95 7.610 9.663 -2.053 1
1 1201 . 17 1 1 A 98 98 TYR HA H 95 4.410 4.969 -0.559 1
1 1208 . 17 1 1 A 98 98 TYR C C 95 173.600 175.490 -1.890 1
1 1209 . 17 1 1 A 98 98 TYR CA C 95 56.400 56.981 -0.581 1
1 1210 . 17 1 1 A 98 98 TYR CB C 95 40.900 42.621 -1.721 1
1 1215 . 17 1 1 A 98 98 TYR N N 95 121.800 119.055 2.745 1
1 1216 . 17 1 1 A 99 99 GLU H H 96 8.480 8.604 -0.124 1
1 1217 . 17 1 1 A 99 99 GLU HA H 96 4.420 5.159 -0.739 1
1 1222 . 17 1 1 A 99 99 GLU C C 96 174.300 175.949 -1.649 1
1 1223 . 17 1 1 A 99 99 GLU CA C 96 56.600 55.634 0.966 1
1 1224 . 17 1 1 A 99 99 GLU CB C 96 30.700 31.805 -1.105 1
1 1226 . 17 1 1 A 99 99 GLU N N 96 122.200 120.894 1.306 1
1 1227 . 17 1 1 A 100 100 ALA H H 97 8.420 9.096 -0.676 1
1 1228 . 17 1 1 A 100 100 ALA HA H 97 5.940 5.849 0.091 1
1 1232 . 17 1 1 A 100 100 ALA C C 97 176.100 175.633 0.467 1
1 1233 . 17 1 1 A 100 100 ALA CA C 97 50.400 50.718 -0.318 1
1 1234 . 17 1 1 A 100 100 ALA CB C 97 23.700 23.353 0.347 1
1 1235 . 17 1 1 A 100 100 ALA N N 97 124.100 124.996 -0.896 1
1 1236 . 17 1 1 A 101 101 ARG H H 98 9.000 8.955 0.045 1
1 1237 . 17 1 1 A 101 101 ARG HA H 98 4.640 5.033 -0.393 1
1 1245 . 17 1 1 A 101 101 ARG C C 98 172.100 174.117 -2.017 1
1 1246 . 17 1 1 A 101 101 ARG CA C 98 54.200 54.514 -0.314 1
1 1247 . 17 1 1 A 101 101 ARG CB C 98 32.800 33.705 -0.905 1
1 1250 . 17 1 1 A 101 101 ARG N N 98 118.400 117.743 0.657 1
1 1252 . 17 1 1 A 102 102 VAL H H 99 8.330 8.651 -0.321 1
1 1253 . 17 1 1 A 102 102 VAL HA H 99 4.720 4.230 0.490 1
1 1261 . 17 1 1 A 102 102 VAL C C 99 175.200 174.666 0.534 1
1 1262 . 17 1 1 A 102 102 VAL CA C 99 61.100 62.318 -1.218 1
1 1263 . 17 1 1 A 102 102 VAL CB C 99 32.700 31.101 1.599 1
1 1266 . 17 1 1 A 102 102 VAL N N 99 119.500 123.432 -3.932 1
1 1267 . 17 1 1 A 103 103 LYS H H 100 9.070 8.808 0.262 1
1 1268 . 17 1 1 A 103 103 LYS HA H 100 4.460 4.439 0.021 1
1 1277 . 17 1 1 A 103 103 LYS C C 100 175.700 176.552 -0.852 1
1 1278 . 17 1 1 A 103 103 LYS CA C 100 54.300 55.280 -0.980 1
1 1279 . 17 1 1 A 103 103 LYS CB C 100 34.800 33.332 1.468 1
1 1283 . 17 1 1 A 103 103 LYS N N 100 130.200 127.880 2.320 1
1 1284 . 17 1 1 A 104 104 ASP H H 101 9.560 8.715 0.845 1
1 1285 . 17 1 1 A 104 104 ASP HA H 101 4.210 4.313 -0.103 1
1 1288 . 17 1 1 A 104 104 ASP C C 101 175.800 176.353 -0.553 1
1 1289 . 17 1 1 A 104 104 ASP CA C 101 55.500 54.964 0.536 1
1 1290 . 17 1 1 A 104 104 ASP CB C 101 39.700 38.473 1.227 1
1 1291 . 17 1 1 A 104 104 ASP N N 101 130.600 125.549 5.051 1
1 1292 . 17 1 1 A 105 105 GLY H H 102 8.260 8.289 -0.029 1
1 1293 . 17 1 1 A 105 105 GLY HA2 H 102 3.450 3.997 -0.547 1
1 1294 . 17 1 1 A 105 105 GLY HA3 H 102 4.170 3.998 0.172 1
1 1295 . 17 1 1 A 105 105 GLY C C 102 173.300 173.749 -0.449 1
1 1296 . 17 1 1 A 105 105 GLY CA C 102 45.300 44.974 0.326 1
1 1297 . 17 1 1 A 105 105 GLY N N 102 101.900 108.847 -6.947 1
1 1298 . 17 1 1 A 106 106 VAL H H 103 7.900 8.268 -0.368 1
1 1299 . 17 1 1 A 106 106 VAL HA H 103 4.270 4.200 0.070 1
1 1307 . 17 1 1 A 106 106 VAL C C 103 175.100 174.701 0.399 1
1 1308 . 17 1 1 A 106 106 VAL CA C 103 62.100 62.058 0.042 1
1 1309 . 17 1 1 A 106 106 VAL CB C 103 34.100 32.691 1.409 1
1 1312 . 17 1 1 A 106 106 VAL N N 103 123.800 122.332 1.468 1
1 1313 . 17 1 1 A 107 107 VAL H H 104 9.290 9.161 0.129 1
1 1314 . 17 1 1 A 107 107 VAL HA H 104 4.220 4.106 0.114 1
1 1322 . 17 1 1 A 107 107 VAL C C 104 174.300 175.367 -1.067 1
1 1323 . 17 1 1 A 107 107 VAL CA C 104 62.700 62.845 -0.145 1
1 1324 . 17 1 1 A 107 107 VAL CB C 104 31.500 31.402 0.098 1
1 1327 . 17 1 1 A 107 107 VAL N N 104 127.300 128.048 -0.748 1
1 1328 . 17 1 1 A 108 108 GLN H H 105 9.410 8.899 0.511 1
1 1329 . 17 1 1 A 108 108 GLN HA H 105 5.720 5.316 0.404 1
1 1336 . 17 1 1 A 108 108 GLN C C 105 174.900 174.788 0.112 1
1 1337 . 17 1 1 A 108 108 GLN CA C 105 53.400 54.760 -1.360 1
1 1338 . 17 1 1 A 108 108 GLN CB C 105 34.600 31.709 2.891 1
1 1341 . 17 1 1 A 108 108 GLN N N 105 126.500 126.979 -0.479 1
1 1343 . 17 1 1 A 109 109 LEU H H 106 8.530 9.672 -1.142 1
1 1344 . 17 1 1 A 109 109 LEU HA H 106 5.760 5.349 0.411 1
1 1354 . 17 1 1 A 109 109 LEU C C 106 176.300 175.176 1.124 1
1 1355 . 17 1 1 A 109 109 LEU CA C 106 52.800 53.351 -0.551 1
1 1356 . 17 1 1 A 109 109 LEU CB C 106 48.900 44.876 4.024 1
1 1360 . 17 1 1 A 109 109 LEU N N 106 118.900 124.980 -6.080 1
1 1361 . 17 1 1 A 110 110 ARG H H 107 8.310 9.204 -0.894 1
1 1362 . 17 1 1 A 110 110 ARG HA H 107 4.230 4.943 -0.713 1
1 1370 . 17 1 1 A 110 110 ARG C C 107 174.800 175.459 -0.659 1
1 1371 . 17 1 1 A 110 110 ARG CA C 107 55.700 53.781 1.919 1
1 1372 . 17 1 1 A 110 110 ARG CB C 107 31.900 31.650 0.250 1
1 1375 . 17 1 1 A 110 110 ARG N N 107 119.900 124.406 -4.506 1
1 1377 . 17 1 1 A 111 111 GLY H H 108 8.390 8.273 0.117 1
1 1378 . 17 1 1 A 111 111 GLY HA2 H 108 3.880 3.943 -0.063 1
1 1379 . 17 1 1 A 111 111 GLY HA3 H 108 4.130 4.186 -0.056 1
1 1380 . 17 1 1 A 111 111 GLY C C 108 173.500 173.038 0.462 1
1 1381 . 17 1 1 A 111 111 GLY CA C 108 45.000 45.980 -0.980 1
1 1382 . 17 1 1 A 111 111 GLY N N 108 110.000 113.417 -3.417 1
1 1383 . 17 1 1 A 112 112 GLY H H 109 8.280 8.083 0.197 1
1 1384 . 17 1 1 A 112 112 GLY HA2 H 109 3.850 4.047 -0.197 1
1 1385 . 17 1 1 A 112 112 GLY HA3 H 109 3.950 4.078 -0.128 1
1 1386 . 17 1 1 A 112 112 GLY C C 109 173.200 173.290 -0.090 1
1 1387 . 17 1 1 A 112 112 GLY CA C 109 45.100 44.068 1.032 1
1 1388 . 17 1 1 A 112 112 GLY N N 109 108.400 110.680 -2.280 1
1 10 . 18 1 1 A 5 5 SER H H 2 8.360 8.129 0.231 1
1 11 . 18 1 1 A 5 5 SER HA H 2 4.400 4.687 -0.287 1
1 14 . 18 1 1 A 5 5 SER C C 2 174.100 172.915 1.185 1
1 15 . 18 1 1 A 5 5 SER CA C 2 58.200 56.593 1.607 1
1 16 . 18 1 1 A 5 5 SER CB C 2 63.700 63.825 -0.125 1
1 17 . 18 1 1 A 5 5 SER N N 2 117.000 119.201 -2.201 1
1 18 . 18 1 1 A 6 6 GLN H H 3 8.280 8.220 0.060 1
1 19 . 18 1 1 A 6 6 GLN HA H 3 4.320 4.248 0.072 1
1 26 . 18 1 1 A 6 6 GLN C C 3 175.500 175.286 0.214 1
1 27 . 18 1 1 A 6 6 GLN CA C 3 55.400 56.023 -0.623 1
1 28 . 18 1 1 A 6 6 GLN CB C 3 30.100 29.323 0.777 1
1 31 . 18 1 1 A 6 6 GLN N N 3 121.800 122.365 -0.565 1
1 33 . 18 1 1 A 7 7 TRP H H 4 8.170 8.618 -0.448 1
1 34 . 18 1 1 A 7 7 TRP HA H 4 4.470 4.850 -0.380 1
1 43 . 18 1 1 A 7 7 TRP C C 4 176.200 175.903 0.297 1
1 44 . 18 1 1 A 7 7 TRP CA C 4 57.600 56.705 0.895 1
1 45 . 18 1 1 A 7 7 TRP CB C 4 30.300 28.283 2.017 1
1 51 . 18 1 1 A 7 7 TRP N N 4 122.300 125.941 -3.641 1
1 53 . 18 1 1 A 8 8 LYS H H 5 9.370 8.940 0.430 1
1 54 . 18 1 1 A 8 8 LYS HA H 5 4.690 4.543 0.147 1
1 63 . 18 1 1 A 8 8 LYS C C 5 175.600 175.507 0.093 1
1 64 . 18 1 1 A 8 8 LYS CA C 5 54.200 56.705 -2.505 1
1 65 . 18 1 1 A 8 8 LYS CB C 5 34.700 32.893 1.807 1
1 69 . 18 1 1 A 8 8 LYS N N 5 125.100 126.638 -1.538 1
1 70 . 18 1 1 A 9 9 ASP H H 6 8.730 8.792 -0.062 1
1 71 . 18 1 1 A 9 9 ASP HA H 6 4.500 4.841 -0.341 1
1 74 . 18 1 1 A 9 9 ASP C C 6 176.200 175.875 0.325 1
1 75 . 18 1 1 A 9 9 ASP CA C 6 55.400 54.691 0.709 1
1 76 . 18 1 1 A 9 9 ASP CB C 6 40.700 40.634 0.066 1
1 77 . 18 1 1 A 9 9 ASP N N 6 125.400 126.595 -1.195 1
1 78 . 18 1 1 A 10 10 ILE H H 7 9.300 9.301 -0.001 1
1 79 . 18 1 1 A 10 10 ILE HA H 7 4.300 4.099 0.201 1
1 89 . 18 1 1 A 10 10 ILE C C 7 175.500 176.088 -0.588 1
1 90 . 18 1 1 A 10 10 ILE CA C 7 60.000 62.882 -2.882 1
1 91 . 18 1 1 A 10 10 ILE CB C 7 37.700 37.881 -0.181 1
1 95 . 18 1 1 A 10 10 ILE N N 7 122.900 124.017 -1.117 1
1 96 . 18 1 1 A 11 11 CYS H H 8 7.510 7.728 -0.218 1
1 97 . 18 1 1 A 11 11 CYS HA H 8 4.880 4.610 0.270 1
1 100 . 18 1 1 A 11 11 CYS C C 8 172.300 172.873 -0.573 1
1 101 . 18 1 1 A 11 11 CYS CA C 8 55.700 57.709 -2.009 1
1 102 . 18 1 1 A 11 11 CYS CB C 8 28.800 28.694 0.106 1
1 103 . 18 1 1 A 11 11 CYS N N 8 111.400 116.206 -4.806 1
1 104 . 18 1 1 A 12 12 LYS H H 9 8.920 8.761 0.159 1
1 105 . 18 1 1 A 12 12 LYS HA H 9 4.880 4.825 0.055 1
1 114 . 18 1 1 A 12 12 LYS C C 9 179.400 177.920 1.480 1
1 115 . 18 1 1 A 12 12 LYS CA C 9 55.700 54.405 1.295 1
1 116 . 18 1 1 A 12 12 LYS CB C 9 32.100 34.590 -2.490 1
1 120 . 18 1 1 A 12 12 LYS N N 9 120.100 119.580 0.520 1
1 121 . 18 1 1 A 13 13 ILE H H 10 8.640 9.262 -0.622 1
1 122 . 18 1 1 A 13 13 ILE HA H 10 3.990 4.061 -0.071 1
1 132 . 18 1 1 A 13 13 ILE C C 10 174.900 177.439 -2.539 1
1 133 . 18 1 1 A 13 13 ILE CA C 10 61.000 63.102 -2.102 1
1 134 . 18 1 1 A 13 13 ILE CB C 10 37.800 38.067 -0.267 1
1 138 . 18 1 1 A 13 13 ILE N N 10 123.700 124.673 -0.973 1
1 139 . 18 1 1 A 14 14 ASP H H 11 7.600 8.313 -0.713 1
1 140 . 18 1 1 A 14 14 ASP HA H 11 4.350 4.394 -0.044 1
1 143 . 18 1 1 A 14 14 ASP C C 11 176.500 177.581 -1.081 1
1 144 . 18 1 1 A 14 14 ASP CA C 11 55.400 56.837 -1.437 1
1 145 . 18 1 1 A 14 14 ASP CB C 11 40.400 40.622 -0.222 1
1 146 . 18 1 1 A 14 14 ASP N N 11 115.800 121.101 -5.301 1
1 147 . 18 1 1 A 15 15 ASP H H 12 7.600 8.332 -0.732 1
1 148 . 18 1 1 A 15 15 ASP HA H 12 4.490 4.685 -0.195 1
1 151 . 18 1 1 A 15 15 ASP C C 12 175.600 175.735 -0.135 1
1 152 . 18 1 1 A 15 15 ASP CA C 12 55.500 54.107 1.393 1
1 153 . 18 1 1 A 15 15 ASP CB C 12 40.900 40.145 0.755 1
1 154 . 18 1 1 A 15 15 ASP N N 12 116.800 114.420 2.380 1
1 155 . 18 1 1 A 16 16 ILE H H 13 7.700 7.488 0.212 1
1 156 . 18 1 1 A 16 16 ILE HA H 13 4.000 4.191 -0.191 1
1 166 . 18 1 1 A 16 16 ILE C C 13 174.100 174.929 -0.829 1
1 167 . 18 1 1 A 16 16 ILE CA C 13 60.500 60.797 -0.297 1
1 168 . 18 1 1 A 16 16 ILE CB C 13 38.200 37.484 0.716 1
1 172 . 18 1 1 A 16 16 ILE N N 13 120.900 121.706 -0.806 1
1 173 . 18 1 1 A 17 17 LEU H H 14 7.970 8.664 -0.694 1
1 174 . 18 1 1 A 17 17 LEU HA H 14 4.370 4.421 -0.051 1
1 184 . 18 1 1 A 17 17 LEU CA C 14 53.800 53.850 -0.050 1
1 185 . 18 1 1 A 17 17 LEU CB C 14 40.500 41.270 -0.770 1
1 189 . 18 1 1 A 17 17 LEU N N 14 127.800 129.092 -1.292 1
1 190 . 18 1 1 A 18 18 PRO HA H 15 4.080 4.168 -0.088 1
1 197 . 18 1 1 A 18 18 PRO C C 15 175.700 176.714 -1.014 1
1 198 . 18 1 1 A 18 18 PRO CA C 15 64.300 63.763 0.537 1
1 199 . 18 1 1 A 18 18 PRO CB C 15 31.600 31.377 0.223 1
1 202 . 18 1 1 A 19 19 GLU H H 16 8.930 8.868 0.062 1
1 203 . 18 1 1 A 19 19 GLU HA H 16 3.660 3.830 -0.170 1
1 208 . 18 1 1 A 19 19 GLU C C 16 175.500 175.010 0.490 1
1 209 . 18 1 1 A 19 19 GLU CA C 16 58.300 57.775 0.525 1
1 210 . 18 1 1 A 19 19 GLU CB C 16 27.300 27.942 -0.642 1
1 212 . 18 1 1 A 19 19 GLU N N 16 113.700 116.420 -2.720 1
1 213 . 18 1 1 A 20 20 THR H H 17 7.790 7.181 0.609 1
1 214 . 18 1 1 A 20 20 THR HA H 17 5.080 5.028 0.052 1
1 220 . 18 1 1 A 20 20 THR C C 17 172.100 173.186 -1.086 1
1 221 . 18 1 1 A 20 20 THR CA C 17 60.700 60.510 0.190 1
1 222 . 18 1 1 A 20 20 THR CB C 17 73.100 72.763 0.337 1
1 224 . 18 1 1 A 20 20 THR N N 17 110.000 112.833 -2.833 1
1 225 . 18 1 1 A 21 21 GLY H H 18 8.080 8.714 -0.634 1
1 226 . 18 1 1 A 21 21 GLY HA2 H 18 3.070 4.168 -1.098 1
1 227 . 18 1 1 A 21 21 GLY HA3 H 18 5.270 4.176 1.094 1
1 228 . 18 1 1 A 21 21 GLY C C 18 173.400 172.436 0.964 1
1 229 . 18 1 1 A 21 21 GLY CA C 18 44.600 43.935 0.665 1
1 230 . 18 1 1 A 21 21 GLY N N 18 103.700 112.374 -8.674 1
1 231 . 18 1 1 A 22 22 VAL H H 19 8.520 9.212 -0.692 1
1 232 . 18 1 1 A 22 22 VAL HA H 19 4.570 4.870 -0.300 1
1 240 . 18 1 1 A 22 22 VAL C C 19 172.900 173.923 -1.023 1
1 241 . 18 1 1 A 22 22 VAL CA C 19 58.900 58.788 0.112 1
1 242 . 18 1 1 A 22 22 VAL CB C 19 35.900 34.970 0.930 1
1 245 . 18 1 1 A 22 22 VAL N N 19 112.900 118.249 -5.349 1
1 246 . 18 1 1 A 23 23 CYS H H 20 8.290 8.712 -0.422 1
1 247 . 18 1 1 A 23 23 CYS HA H 20 5.250 4.819 0.431 1
1 250 . 18 1 1 A 23 23 CYS C C 20 173.500 174.284 -0.784 1
1 251 . 18 1 1 A 23 23 CYS CA C 20 56.300 57.701 -1.401 1
1 252 . 18 1 1 A 23 23 CYS CB C 20 27.600 28.481 -0.881 1
1 253 . 18 1 1 A 23 23 CYS N N 20 120.700 122.428 -1.728 1
1 254 . 18 1 1 A 24 24 ALA H H 21 9.590 9.096 0.494 1
1 255 . 18 1 1 A 24 24 ALA HA H 21 4.580 5.141 -0.561 1
1 259 . 18 1 1 A 24 24 ALA C C 21 174.400 175.457 -1.057 1
1 260 . 18 1 1 A 24 24 ALA CA C 21 50.200 50.368 -0.168 1
1 261 . 18 1 1 A 24 24 ALA CB C 21 23.400 23.468 -0.068 1
1 262 . 18 1 1 A 24 24 ALA N N 21 132.500 129.568 2.932 1
1 263 . 18 1 1 A 25 25 LEU H H 22 8.100 9.211 -1.111 1
1 264 . 18 1 1 A 25 25 LEU HA H 22 4.860 5.050 -0.190 1
1 274 . 18 1 1 A 25 25 LEU C C 22 175.800 175.550 0.250 1
1 275 . 18 1 1 A 25 25 LEU CA C 22 53.800 53.459 0.341 1
1 276 . 18 1 1 A 25 25 LEU CB C 22 43.600 44.874 -1.274 1
1 280 . 18 1 1 A 25 25 LEU N N 22 120.700 119.036 1.664 1
1 281 . 18 1 1 A 26 26 LEU H H 23 8.660 8.808 -0.148 1
1 282 . 18 1 1 A 26 26 LEU HA H 23 4.410 4.510 -0.100 1
1 292 . 18 1 1 A 26 26 LEU C C 23 176.600 176.704 -0.104 1
1 293 . 18 1 1 A 26 26 LEU CA C 23 53.100 54.177 -1.077 1
1 294 . 18 1 1 A 26 26 LEU CB C 23 43.400 42.215 1.185 1
1 298 . 18 1 1 A 26 26 LEU N N 23 125.800 125.324 0.476 1
1 299 . 18 1 1 A 27 27 GLY H H 24 8.910 8.820 0.090 1
1 300 . 18 1 1 A 27 27 GLY HA2 H 24 3.560 3.825 -0.265 1
1 301 . 18 1 1 A 27 27 GLY HA3 H 24 4.000 3.825 0.175 1
1 302 . 18 1 1 A 27 27 GLY C C 24 173.800 174.290 -0.490 1
1 303 . 18 1 1 A 27 27 GLY CA C 24 47.300 47.318 -0.018 1
1 304 . 18 1 1 A 27 27 GLY N N 24 118.300 115.682 2.618 1
1 305 . 18 1 1 A 28 28 ASP H H 25 8.800 8.255 0.545 1
1 306 . 18 1 1 A 28 28 ASP HA H 25 4.690 4.732 -0.042 1
1 309 . 18 1 1 A 28 28 ASP C C 25 176.100 176.215 -0.115 1
1 310 . 18 1 1 A 28 28 ASP CA C 25 53.900 53.331 0.569 1
1 311 . 18 1 1 A 28 28 ASP CB C 25 41.300 42.340 -1.040 1
1 312 . 18 1 1 A 28 28 ASP N N 25 126.600 124.797 1.803 1
1 313 . 18 1 1 A 29 29 GLU H H 26 8.100 7.586 0.514 1
1 314 . 18 1 1 A 29 29 GLU HA H 26 4.440 4.337 0.103 1
1 319 . 18 1 1 A 29 29 GLU C C 26 174.800 176.177 -1.377 1
1 320 . 18 1 1 A 29 29 GLU CA C 26 55.800 56.000 -0.200 1
1 321 . 18 1 1 A 29 29 GLU CB C 26 30.600 30.537 0.063 1
1 323 . 18 1 1 A 29 29 GLU N N 26 120.400 120.785 -0.385 1
1 324 . 18 1 1 A 30 30 GLN H H 27 8.640 8.541 0.099 1
1 325 . 18 1 1 A 30 30 GLN HA H 27 4.510 4.486 0.024 1
1 332 . 18 1 1 A 30 30 GLN C C 27 175.800 175.534 0.266 1
1 333 . 18 1 1 A 30 30 GLN CA C 27 55.700 56.067 -0.367 1
1 334 . 18 1 1 A 30 30 GLN CB C 27 29.300 29.055 0.245 1
1 336 . 18 1 1 A 30 30 GLN N N 27 121.300 122.738 -1.438 1
1 338 . 18 1 1 A 31 31 VAL H H 28 9.280 9.061 0.219 1
1 339 . 18 1 1 A 31 31 VAL HA H 28 4.040 4.734 -0.694 1
1 347 . 18 1 1 A 31 31 VAL C C 28 172.900 174.282 -1.382 1
1 348 . 18 1 1 A 31 31 VAL CA C 28 61.900 60.641 1.259 1
1 349 . 18 1 1 A 31 31 VAL CB C 28 34.800 33.992 0.808 1
1 352 . 18 1 1 A 31 31 VAL N N 28 128.600 124.904 3.696 1
1 353 . 18 1 1 A 32 32 ALA H H 29 9.440 9.307 0.133 1
1 354 . 18 1 1 A 32 32 ALA HA H 29 4.680 4.698 -0.018 1
1 358 . 18 1 1 A 32 32 ALA C C 29 175.200 175.430 -0.230 1
1 359 . 18 1 1 A 32 32 ALA CA C 29 50.500 50.308 0.192 1
1 360 . 18 1 1 A 32 32 ALA CB C 29 20.200 20.118 0.082 1
1 361 . 18 1 1 A 32 32 ALA N N 29 130.400 128.917 1.483 1
1 362 . 18 1 1 A 33 33 ILE H H 30 8.590 8.726 -0.136 1
1 363 . 18 1 1 A 33 33 ILE HA H 30 4.680 4.705 -0.025 1
1 373 . 18 1 1 A 33 33 ILE C C 30 174.800 174.751 0.049 1
1 374 . 18 1 1 A 33 33 ILE CA C 30 59.900 59.947 -0.047 1
1 375 . 18 1 1 A 33 33 ILE CB C 30 39.300 38.151 1.149 1
1 379 . 18 1 1 A 33 33 ILE N N 30 120.600 123.640 -3.040 1
1 380 . 18 1 1 A 34 34 PHE H H 31 9.430 9.520 -0.090 1
1 381 . 18 1 1 A 34 34 PHE HA H 31 5.070 5.088 -0.018 1
1 386 . 18 1 1 A 34 34 PHE C C 31 174.800 174.613 0.187 1
1 387 . 18 1 1 A 34 34 PHE CA C 31 57.200 56.905 0.295 1
1 388 . 18 1 1 A 34 34 PHE CB C 31 43.400 40.997 2.403 1
1 391 . 18 1 1 A 34 34 PHE N N 31 121.800 126.572 -4.772 1
1 392 . 18 1 1 A 35 35 ARG H H 32 8.450 8.946 -0.496 1
1 393 . 18 1 1 A 35 35 ARG HA H 32 5.470 4.943 0.527 1
1 403 . 18 1 1 A 35 35 ARG CA C 32 52.000 52.558 -0.558 1
1 404 . 18 1 1 A 35 35 ARG CB C 32 33.200 31.433 1.767 1
1 407 . 18 1 1 A 35 35 ARG N N 32 123.000 125.221 -2.221 1
1 410 . 18 1 1 A 36 36 PRO HA H 33 3.910 4.611 -0.701 1
1 417 . 18 1 1 A 36 36 PRO C C 33 174.300 175.863 -1.563 1
1 418 . 18 1 1 A 36 36 PRO CA C 33 64.600 63.798 0.802 1
1 419 . 18 1 1 A 36 36 PRO CB C 33 32.800 31.852 0.948 1
1 422 . 18 1 1 A 37 37 TYR H H 34 9.000 7.613 1.387 1
1 423 . 18 1 1 A 37 37 TYR HA H 34 5.250 4.932 0.318 1
1 430 . 18 1 1 A 37 37 TYR C C 34 175.000 176.095 -1.095 1
1 431 . 18 1 1 A 37 37 TYR CA C 34 54.200 57.468 -3.268 1
1 432 . 18 1 1 A 37 37 TYR CB C 34 41.000 40.642 0.358 1
1 437 . 18 1 1 A 37 37 TYR N N 34 115.500 119.156 -3.656 1
1 438 . 18 1 1 A 38 38 HIS H H 35 8.700 9.225 -0.525 1
1 439 . 18 1 1 A 38 38 HIS HA H 35 4.490 4.776 -0.286 1
1 444 . 18 1 1 A 38 38 HIS C C 35 175.800 175.277 0.523 1
1 445 . 18 1 1 A 38 38 HIS CA C 35 56.400 56.634 -0.234 1
1 446 . 18 1 1 A 38 38 HIS CB C 35 28.600 29.935 -1.335 1
1 449 . 18 1 1 A 38 38 HIS N N 35 119.000 121.029 -2.029 1
1 450 . 18 1 1 A 39 39 SER H H 36 7.890 7.691 0.199 1
1 451 . 18 1 1 A 39 39 SER HA H 36 4.770 4.660 0.110 1
1 454 . 18 1 1 A 39 39 SER C C 36 173.800 173.955 -0.155 1
1 455 . 18 1 1 A 39 39 SER CA C 36 57.000 57.191 -0.191 1
1 456 . 18 1 1 A 39 39 SER CB C 36 64.700 65.284 -0.584 1
1 457 . 18 1 1 A 39 39 SER N N 36 115.500 115.015 0.485 1
1 458 . 18 1 1 A 40 40 ASP H H 37 8.540 8.572 -0.032 1
1 459 . 18 1 1 A 40 40 ASP HA H 37 4.540 4.771 -0.231 1
1 462 . 18 1 1 A 40 40 ASP C C 37 174.700 174.657 0.043 1
1 463 . 18 1 1 A 40 40 ASP CA C 37 53.800 53.626 0.174 1
1 464 . 18 1 1 A 40 40 ASP CB C 37 39.600 38.912 0.688 1
1 465 . 18 1 1 A 40 40 ASP N N 37 119.400 122.331 -2.931 1
1 466 . 18 1 1 A 41 41 GLN H H 38 7.490 7.674 -0.184 1
1 467 . 18 1 1 A 41 41 GLN HA H 38 4.140 4.898 -0.758 1
1 474 . 18 1 1 A 41 41 GLN C C 38 175.500 174.018 1.482 1
1 475 . 18 1 1 A 41 41 GLN CA C 38 57.100 55.164 1.936 1
1 476 . 18 1 1 A 41 41 GLN CB C 38 29.400 32.270 -2.870 1
1 479 . 18 1 1 A 41 41 GLN N N 38 118.700 123.872 -5.172 1
1 481 . 18 1 1 A 42 42 VAL H H 39 7.800 8.543 -0.743 1
1 482 . 18 1 1 A 42 42 VAL HA H 39 5.600 5.077 0.523 1
1 490 . 18 1 1 A 42 42 VAL C C 39 174.200 174.152 0.048 1
1 491 . 18 1 1 A 42 42 VAL CA C 39 58.200 59.306 -1.106 1
1 492 . 18 1 1 A 42 42 VAL CB C 39 36.500 35.857 0.643 1
1 495 . 18 1 1 A 42 42 VAL N N 39 116.100 118.633 -2.533 1
1 496 . 18 1 1 A 43 43 PHE H H 40 8.480 9.321 -0.841 1
1 497 . 18 1 1 A 43 43 PHE HA H 40 4.870 5.323 -0.453 1
1 504 . 18 1 1 A 43 43 PHE C C 40 173.900 174.701 -0.801 1
1 505 . 18 1 1 A 43 43 PHE CA C 40 56.800 56.276 0.524 1
1 506 . 18 1 1 A 43 43 PHE CB C 40 45.300 42.113 3.187 1
1 511 . 18 1 1 A 43 43 PHE N N 40 117.200 121.248 -4.048 1
1 512 . 18 1 1 A 44 44 ALA H H 41 9.520 9.013 0.507 1
1 513 . 18 1 1 A 44 44 ALA HA H 41 6.200 5.612 0.588 1
1 517 . 18 1 1 A 44 44 ALA C C 41 176.300 176.633 -0.333 1
1 518 . 18 1 1 A 44 44 ALA CA C 41 50.900 50.448 0.452 1
1 519 . 18 1 1 A 44 44 ALA CB C 41 24.100 21.538 2.562 1
1 520 . 18 1 1 A 44 44 ALA N N 41 125.100 125.992 -0.892 1
1 521 . 18 1 1 A 45 45 ILE H H 42 8.970 8.863 0.107 1
1 522 . 18 1 1 A 45 45 ILE HA H 42 5.580 5.553 0.027 1
1 532 . 18 1 1 A 45 45 ILE C C 42 174.600 175.110 -0.510 1
1 533 . 18 1 1 A 45 45 ILE CA C 42 59.300 58.914 0.386 1
1 534 . 18 1 1 A 45 45 ILE CB C 42 44.300 41.886 2.414 1
1 538 . 18 1 1 A 45 45 ILE N N 42 117.100 118.290 -1.190 1
1 539 . 18 1 1 A 46 46 SER H H 43 8.460 8.730 -0.270 1
1 540 . 18 1 1 A 46 46 SER HA H 43 4.350 4.639 -0.289 1
1 543 . 18 1 1 A 46 46 SER C C 43 172.100 174.496 -2.396 1
1 544 . 18 1 1 A 46 46 SER CA C 43 59.500 60.028 -0.528 1
1 545 . 18 1 1 A 46 46 SER CB C 43 64.900 63.717 1.183 1
1 546 . 18 1 1 A 46 46 SER N N 43 112.400 119.071 -6.671 1
1 547 . 18 1 1 A 47 47 ASN H H 44 7.990 9.127 -1.137 1
1 548 . 18 1 1 A 47 47 ASN HA H 44 4.940 4.635 0.305 1
1 553 . 18 1 1 A 47 47 ASN C C 44 175.800 174.903 0.897 1
1 554 . 18 1 1 A 47 47 ASN CA C 44 53.800 54.484 -0.684 1
1 555 . 18 1 1 A 47 47 ASN CB C 44 40.600 39.657 0.943 1
1 556 . 18 1 1 A 47 47 ASN N N 44 117.800 122.612 -4.812 1
1 558 . 18 1 1 A 48 48 ILE H H 45 8.190 7.782 0.408 1
1 559 . 18 1 1 A 48 48 ILE HA H 45 4.100 4.611 -0.511 1
1 569 . 18 1 1 A 48 48 ILE C C 45 175.200 175.288 -0.088 1
1 570 . 18 1 1 A 48 48 ILE CA C 45 59.400 59.498 -0.098 1
1 571 . 18 1 1 A 48 48 ILE CB C 45 36.500 40.296 -3.796 1
1 575 . 18 1 1 A 48 48 ILE N N 45 118.300 119.170 -0.870 1
1 576 . 18 1 1 A 49 49 ASP H H 46 8.720 8.510 0.210 1
1 577 . 18 1 1 A 49 49 ASP HA H 46 4.530 4.858 -0.328 1
1 580 . 18 1 1 A 49 49 ASP CA C 46 51.400 52.058 -0.658 1
1 581 . 18 1 1 A 49 49 ASP CB C 46 42.900 42.239 0.661 1
1 582 . 18 1 1 A 49 49 ASP N N 46 128.600 127.330 1.270 1
1 583 . 18 1 1 A 50 50 PRO HA H 47 4.500 4.431 0.069 1
1 590 . 18 1 1 A 50 50 PRO C C 47 177.800 178.271 -0.471 1
1 591 . 18 1 1 A 50 50 PRO CA C 47 63.700 65.761 -2.061 1
1 592 . 18 1 1 A 50 50 PRO CB C 47 32.200 31.824 0.376 1
1 595 . 18 1 1 A 51 51 PHE H H 48 9.270 7.960 1.310 1
1 596 . 18 1 1 A 51 51 PHE HA H 48 3.980 4.152 -0.172 1
1 601 . 18 1 1 A 51 51 PHE C C 48 177.100 177.766 -0.666 1
1 602 . 18 1 1 A 51 51 PHE CA C 48 61.400 61.255 0.145 1
1 603 . 18 1 1 A 51 51 PHE CB C 48 37.900 38.749 -0.849 1
1 606 . 18 1 1 A 51 51 PHE N N 48 121.800 118.349 3.451 1
1 607 . 18 1 1 A 52 52 PHE H H 49 7.440 8.629 -1.189 1
1 608 . 18 1 1 A 52 52 PHE HA H 49 4.560 4.129 0.431 1
1 616 . 18 1 1 A 52 52 PHE C C 49 176.100 175.193 0.907 1
1 617 . 18 1 1 A 52 52 PHE CA C 49 58.300 60.272 -1.972 1
1 618 . 18 1 1 A 52 52 PHE CB C 49 42.000 39.713 2.287 1
1 624 . 18 1 1 A 52 52 PHE N N 49 114.500 119.943 -5.443 1
1 625 . 18 1 1 A 53 53 GLU H H 50 8.590 7.683 0.907 1
1 626 . 18 1 1 A 53 53 GLU HA H 50 3.780 3.930 -0.150 1
1 631 . 18 1 1 A 53 53 GLU C C 50 175.000 175.040 -0.040 1
1 632 . 18 1 1 A 53 53 GLU CA C 50 57.300 57.160 0.140 1
1 633 . 18 1 1 A 53 53 GLU CB C 50 27.100 27.539 -0.439 1
1 635 . 18 1 1 A 53 53 GLU N N 50 120.300 118.210 2.090 1
1 636 . 18 1 1 A 54 54 SER H H 51 7.100 8.119 -1.019 1
1 637 . 18 1 1 A 54 54 SER HA H 51 4.910 4.830 0.080 1
1 640 . 18 1 1 A 54 54 SER CA C 51 56.500 55.822 0.678 1
1 641 . 18 1 1 A 54 54 SER CB C 51 66.100 65.642 0.458 1
1 642 . 18 1 1 A 54 54 SER N N 51 110.300 113.669 -3.369 1
1 643 . 18 1 1 A 55 55 SER HA H 52 4.550 4.744 -0.194 1
1 646 . 18 1 1 A 55 55 SER C C 52 173.500 173.164 0.336 1
1 647 . 18 1 1 A 55 55 SER CA C 52 56.700 55.518 1.182 1
1 648 . 18 1 1 A 55 55 SER CB C 52 62.100 65.516 -3.416 1
1 649 . 18 1 1 A 56 56 VAL H H 53 7.590 8.356 -0.766 1
1 650 . 18 1 1 A 56 56 VAL HA H 53 4.900 4.607 0.293 1
1 658 . 18 1 1 A 56 56 VAL C C 53 176.800 175.920 0.880 1
1 659 . 18 1 1 A 56 56 VAL CA C 53 61.300 62.150 -0.850 1
1 660 . 18 1 1 A 56 56 VAL CB C 53 36.200 32.133 4.067 1
1 663 . 18 1 1 A 56 56 VAL N N 53 117.400 121.621 -4.221 1
1 664 . 18 1 1 A 57 57 LEU H H 54 8.690 8.928 -0.238 1
1 665 . 18 1 1 A 57 57 LEU HA H 54 3.930 4.361 -0.431 1
1 675 . 18 1 1 A 57 57 LEU C C 54 179.500 179.129 0.371 1
1 676 . 18 1 1 A 57 57 LEU CA C 54 60.000 56.644 3.356 1
1 677 . 18 1 1 A 57 57 LEU CB C 54 40.800 42.067 -1.267 1
1 681 . 18 1 1 A 57 57 LEU N N 54 121.100 127.148 -6.048 1
1 682 . 18 1 1 A 58 58 SER H H 55 9.750 7.780 1.970 1
1 683 . 18 1 1 A 58 58 SER HA H 55 3.800 4.070 -0.270 1
1 686 . 18 1 1 A 58 58 SER C C 55 174.100 174.966 -0.866 1
1 687 . 18 1 1 A 58 58 SER CA C 55 61.600 60.727 0.873 1
1 688 . 18 1 1 A 58 58 SER CB C 55 61.900 62.748 -0.848 1
1 689 . 18 1 1 A 58 58 SER N N 55 113.400 114.042 -0.642 1
1 690 . 18 1 1 A 59 59 ARG H H 56 7.510 7.654 -0.144 1
1 691 . 18 1 1 A 59 59 ARG HA H 56 4.560 4.553 0.007 1
1 698 . 18 1 1 A 59 59 ARG C C 56 177.500 175.290 2.210 1
1 699 . 18 1 1 A 59 59 ARG CA C 56 55.400 55.086 0.314 1
1 700 . 18 1 1 A 59 59 ARG CB C 56 30.400 30.106 0.294 1
1 703 . 18 1 1 A 59 59 ARG N N 56 118.400 121.065 -2.665 1
1 704 . 18 1 1 A 60 60 GLY H H 57 8.550 7.991 0.559 1
1 705 . 18 1 1 A 60 60 GLY HA2 H 57 4.020 4.330 -0.310 1
1 706 . 18 1 1 A 60 60 GLY HA3 H 57 4.020 4.364 -0.344 1
1 707 . 18 1 1 A 60 60 GLY C C 57 171.200 172.786 -1.586 1
1 708 . 18 1 1 A 60 60 GLY CA C 57 45.400 44.193 1.207 1
1 709 . 18 1 1 A 60 60 GLY N N 57 108.600 109.307 -0.707 1
1 710 . 18 1 1 A 61 61 LEU H H 58 7.740 8.147 -0.407 1
1 711 . 18 1 1 A 61 61 LEU HA H 58 4.640 4.811 -0.171 1
1 721 . 18 1 1 A 61 61 LEU C C 58 177.000 176.375 0.625 1
1 722 . 18 1 1 A 61 61 LEU CA C 58 54.200 53.747 0.453 1
1 723 . 18 1 1 A 61 61 LEU CB C 58 43.700 43.219 0.481 1
1 727 . 18 1 1 A 61 61 LEU N N 58 119.100 117.744 1.356 1
1 728 . 18 1 1 A 62 62 ILE H H 59 8.780 8.871 -0.091 1
1 729 . 18 1 1 A 62 62 ILE HA H 59 4.660 4.622 0.038 1
1 739 . 18 1 1 A 62 62 ILE C C 59 175.500 175.044 0.456 1
1 740 . 18 1 1 A 62 62 ILE CA C 59 60.600 60.488 0.112 1
1 741 . 18 1 1 A 62 62 ILE CB C 59 38.700 38.451 0.249 1
1 745 . 18 1 1 A 62 62 ILE N N 59 126.500 123.368 3.132 1
1 746 . 18 1 1 A 63 63 ALA H H 60 9.110 9.521 -0.411 1
1 747 . 18 1 1 A 63 63 ALA HA H 60 4.590 5.291 -0.701 1
1 751 . 18 1 1 A 63 63 ALA C C 60 175.000 175.678 -0.678 1
1 752 . 18 1 1 A 63 63 ALA CA C 60 51.300 49.898 1.402 1
1 753 . 18 1 1 A 63 63 ALA CB C 60 23.100 21.604 1.496 1
1 754 . 18 1 1 A 63 63 ALA N N 60 129.300 131.135 -1.835 1
1 755 . 18 1 1 A 64 64 GLU H H 61 8.460 8.833 -0.373 1
1 756 . 18 1 1 A 64 64 GLU HA H 61 5.070 4.597 0.473 1
1 761 . 18 1 1 A 64 64 GLU C C 61 176.000 176.823 -0.823 1
1 762 . 18 1 1 A 64 64 GLU CA C 61 55.100 55.823 -0.723 1
1 763 . 18 1 1 A 64 64 GLU CB C 61 31.200 30.141 1.059 1
1 765 . 18 1 1 A 64 64 GLU N N 61 121.500 121.965 -0.465 1
1 766 . 18 1 1 A 65 65 HIS H H 62 9.310 9.313 -0.003 1
1 767 . 18 1 1 A 65 65 HIS HA H 62 4.740 4.784 -0.044 1
1 772 . 18 1 1 A 65 65 HIS CA C 62 56.400 54.985 1.415 1
1 773 . 18 1 1 A 65 65 HIS CB C 62 32.600 29.403 3.197 1
1 776 . 18 1 1 A 65 65 HIS N N 62 123.500 128.606 -5.106 1
1 777 . 18 1 1 A 66 66 GLN HA H 63 3.870 3.878 -0.008 1
1 784 . 18 1 1 A 66 66 GLN C C 63 176.000 174.992 1.008 1
1 785 . 18 1 1 A 66 66 GLN CA C 63 56.600 56.757 -0.157 1
1 786 . 18 1 1 A 66 66 GLN CB C 63 26.800 27.676 -0.876 1
1 790 . 18 1 1 A 67 67 GLY H H 64 8.970 8.367 0.603 1
1 791 . 18 1 1 A 67 67 GLY HA2 H 64 3.680 4.061 -0.381 1
1 792 . 18 1 1 A 67 67 GLY HA3 H 64 4.140 4.067 0.073 1
1 793 . 18 1 1 A 67 67 GLY C C 64 173.800 174.756 -0.956 1
1 794 . 18 1 1 A 67 67 GLY CA C 64 45.600 45.520 0.080 1
1 795 . 18 1 1 A 67 67 GLY N N 64 104.200 107.555 -3.355 1
1 796 . 18 1 1 A 68 68 GLU H H 65 7.850 8.105 -0.255 1
1 797 . 18 1 1 A 68 68 GLU HA H 65 4.810 4.578 0.232 1
1 802 . 18 1 1 A 68 68 GLU C C 65 174.400 175.655 -1.255 1
1 803 . 18 1 1 A 68 68 GLU CA C 65 54.100 55.731 -1.631 1
1 804 . 18 1 1 A 68 68 GLU CB C 65 34.000 31.100 2.900 1
1 806 . 18 1 1 A 68 68 GLU N N 65 118.800 121.047 -2.247 1
1 807 . 18 1 1 A 69 69 LEU H H 66 8.030 8.698 -0.668 1
1 808 . 18 1 1 A 69 69 LEU HA H 66 4.920 5.033 -0.113 1
1 818 . 18 1 1 A 69 69 LEU C C 66 177.100 175.518 1.582 1
1 819 . 18 1 1 A 69 69 LEU CA C 66 54.300 53.344 0.956 1
1 820 . 18 1 1 A 69 69 LEU CB C 66 44.500 42.749 1.751 1
1 824 . 18 1 1 A 69 69 LEU N N 66 119.000 123.343 -4.343 1
1 825 . 18 1 1 A 70 70 TRP H H 67 8.980 9.488 -0.508 1
1 826 . 18 1 1 A 70 70 TRP HA H 67 5.140 5.592 -0.452 1
1 835 . 18 1 1 A 70 70 TRP C C 67 174.400 175.356 -0.956 1
1 836 . 18 1 1 A 70 70 TRP CA C 67 55.100 55.354 -0.254 1
1 837 . 18 1 1 A 70 70 TRP CB C 67 31.800 32.761 -0.961 1
1 843 . 18 1 1 A 70 70 TRP N N 67 122.200 125.038 -2.838 1
1 845 . 18 1 1 A 71 71 VAL H H 68 9.490 9.194 0.296 1
1 846 . 18 1 1 A 71 71 VAL HA H 68 4.990 4.762 0.228 1
1 854 . 18 1 1 A 71 71 VAL C C 68 173.000 173.980 -0.980 1
1 855 . 18 1 1 A 71 71 VAL CA C 68 58.500 60.082 -1.582 1
1 856 . 18 1 1 A 71 71 VAL CB C 68 34.300 33.497 0.803 1
1 859 . 18 1 1 A 71 71 VAL N N 68 120.900 124.461 -3.561 1
1 860 . 18 1 1 A 72 72 ALA H H 69 8.550 9.583 -1.033 1
1 861 . 18 1 1 A 72 72 ALA HA H 69 5.280 5.850 -0.570 1
1 865 . 18 1 1 A 72 72 ALA C C 69 178.000 175.799 2.201 1
1 866 . 18 1 1 A 72 72 ALA CA C 69 49.200 50.117 -0.917 1
1 867 . 18 1 1 A 72 72 ALA CB C 69 19.700 21.556 -1.856 1
1 868 . 18 1 1 A 72 72 ALA N N 69 130.000 131.181 -1.181 1
1 869 . 18 1 1 A 73 73 SER H H 70 9.470 8.490 0.980 1
1 870 . 18 1 1 A 73 73 SER HA H 70 4.540 4.844 -0.304 1
1 873 . 18 1 1 A 73 73 SER CA C 70 55.700 55.486 0.214 1
1 874 . 18 1 1 A 73 73 SER CB C 70 64.400 63.782 0.618 1
1 875 . 18 1 1 A 73 73 SER N N 70 118.100 117.987 0.113 1
1 876 . 18 1 1 A 74 74 PRO HA H 71 4.540 4.597 -0.057 1
1 883 . 18 1 1 A 74 74 PRO C C 71 176.700 178.308 -1.608 1
1 884 . 18 1 1 A 74 74 PRO CA C 71 64.000 64.171 -0.171 1
1 885 . 18 1 1 A 74 74 PRO CB C 71 32.300 31.988 0.312 1
1 888 . 18 1 1 A 75 75 LEU H H 72 7.850 7.999 -0.149 1
1 889 . 18 1 1 A 75 75 LEU HA H 72 4.330 4.147 0.183 1
1 899 . 18 1 1 A 75 75 LEU CA C 72 56.200 57.306 -1.106 1
1 900 . 18 1 1 A 75 75 LEU CB C 72 38.500 42.452 -3.952 1
1 904 . 18 1 1 A 75 75 LEU N N 72 119.300 118.100 1.200 1
1 905 . 18 1 1 A 76 76 LYS HA H 73 4.470 4.860 -0.390 1
1 914 . 18 1 1 A 76 76 LYS C C 73 176.600 175.159 1.441 1
1 915 . 18 1 1 A 76 76 LYS CA C 73 54.600 54.517 0.083 1
1 916 . 18 1 1 A 76 76 LYS CB C 73 31.700 35.667 -3.967 1
1 920 . 18 1 1 A 77 77 LYS H H 74 7.240 8.426 -1.186 1
1 921 . 18 1 1 A 77 77 LYS HA H 74 4.440 4.337 0.103 1
1 930 . 18 1 1 A 77 77 LYS C C 74 175.500 174.665 0.835 1
1 931 . 18 1 1 A 77 77 LYS CA C 74 57.800 55.241 2.559 1
1 932 . 18 1 1 A 77 77 LYS CB C 74 28.600 30.827 -2.227 1
1 936 . 18 1 1 A 77 77 LYS N N 74 110.900 127.432 -16.532 1
1 937 . 18 1 1 A 78 78 GLN H H 75 8.080 8.648 -0.568 1
1 938 . 18 1 1 A 78 78 GLN HA H 75 4.030 4.623 -0.593 1
1 945 . 18 1 1 A 78 78 GLN C C 75 174.500 175.060 -0.560 1
1 946 . 18 1 1 A 78 78 GLN CA C 75 58.400 55.126 3.274 1
1 947 . 18 1 1 A 78 78 GLN CB C 75 27.400 30.982 -3.582 1
1 949 . 18 1 1 A 78 78 GLN N N 75 119.100 123.271 -4.171 1
1 951 . 18 1 1 A 79 79 ARG H H 76 9.800 8.353 1.447 1
1 952 . 18 1 1 A 79 79 ARG HA H 76 5.310 5.541 -0.231 1
1 960 . 18 1 1 A 79 79 ARG C C 76 175.800 174.835 0.965 1
1 961 . 18 1 1 A 79 79 ARG CA C 76 55.300 54.584 0.716 1
1 962 . 18 1 1 A 79 79 ARG CB C 76 33.100 32.737 0.363 1
1 965 . 18 1 1 A 79 79 ARG N N 76 122.800 121.855 0.945 1
1 967 . 18 1 1 A 80 80 PHE H H 77 9.220 9.516 -0.296 1
1 968 . 18 1 1 A 80 80 PHE HA H 77 5.630 5.114 0.516 1
1 976 . 18 1 1 A 80 80 PHE C C 77 175.300 174.480 0.820 1
1 977 . 18 1 1 A 80 80 PHE CA C 77 55.800 56.518 -0.718 1
1 978 . 18 1 1 A 80 80 PHE CB C 77 41.300 42.440 -1.140 1
1 984 . 18 1 1 A 80 80 PHE N N 77 119.400 122.455 -3.055 1
1 985 . 18 1 1 A 81 81 ARG H H 78 9.870 8.786 1.084 1
1 986 . 18 1 1 A 81 81 ARG HA H 78 3.490 3.686 -0.196 1
1 996 . 18 1 1 A 81 81 ARG C C 78 177.400 175.942 1.458 1
1 997 . 18 1 1 A 81 81 ARG CA C 78 58.100 55.738 2.362 1
1 998 . 18 1 1 A 81 81 ARG CB C 78 30.500 29.324 1.176 1
1 1001 . 18 1 1 A 81 81 ARG N N 78 130.100 124.450 5.650 1
1 1004 . 18 1 1 A 82 82 LEU H H 79 7.860 8.294 -0.434 1
1 1005 . 18 1 1 A 82 82 LEU HA H 79 3.790 3.987 -0.197 1
1 1015 . 18 1 1 A 82 82 LEU C C 79 177.500 178.456 -0.956 1
1 1016 . 18 1 1 A 82 82 LEU CA C 79 57.600 57.119 0.481 1
1 1017 . 18 1 1 A 82 82 LEU CB C 79 39.600 40.926 -1.326 1
1 1021 . 18 1 1 A 82 82 LEU N N 79 125.300 126.892 -1.592 1
1 1022 . 18 1 1 A 83 83 SER H H 80 8.000 7.691 0.309 1
1 1023 . 18 1 1 A 83 83 SER HA H 80 4.200 4.050 0.150 1
1 1026 . 18 1 1 A 83 83 SER C C 80 176.600 175.577 1.023 1
1 1027 . 18 1 1 A 83 83 SER CA C 80 60.100 61.934 -1.834 1
1 1028 . 18 1 1 A 83 83 SER CB C 80 62.500 62.814 -0.314 1
1 1029 . 18 1 1 A 83 83 SER N N 80 109.700 114.927 -5.227 1
1 1030 . 18 1 1 A 84 84 ASP H H 81 7.100 7.699 -0.599 1
1 1031 . 18 1 1 A 84 84 ASP HA H 81 4.090 4.649 -0.559 1
1 1034 . 18 1 1 A 84 84 ASP C C 81 175.900 176.947 -1.047 1
1 1035 . 18 1 1 A 84 84 ASP CA C 81 53.500 53.005 0.495 1
1 1036 . 18 1 1 A 84 84 ASP CB C 81 41.900 42.688 -0.788 1
1 1037 . 18 1 1 A 84 84 ASP N N 81 117.300 115.629 1.671 1
1 1038 . 18 1 1 A 85 85 GLY H H 82 8.860 8.346 0.514 1
1 1039 . 18 1 1 A 85 85 GLY HA2 H 82 3.590 4.006 -0.416 1
1 1040 . 18 1 1 A 85 85 GLY HA3 H 82 4.810 4.022 0.788 1
1 1041 . 18 1 1 A 85 85 GLY C C 82 173.700 174.334 -0.634 1
1 1042 . 18 1 1 A 85 85 GLY CA C 82 45.900 45.359 0.541 1
1 1043 . 18 1 1 A 85 85 GLY N N 82 111.300 109.621 1.679 1
1 1044 . 18 1 1 A 86 86 LEU H H 83 7.430 7.788 -0.358 1
1 1045 . 18 1 1 A 86 86 LEU HA H 83 4.290 4.370 -0.080 1
1 1055 . 18 1 1 A 86 86 LEU C C 83 176.600 176.311 0.289 1
1 1056 . 18 1 1 A 86 86 LEU CA C 83 56.200 55.122 1.078 1
1 1057 . 18 1 1 A 86 86 LEU CB C 83 43.100 42.676 0.424 1
1 1061 . 18 1 1 A 86 86 LEU N N 83 120.800 122.930 -2.130 1
1 1062 . 18 1 1 A 87 87 CYS H H 84 8.080 9.015 -0.935 1
1 1063 . 18 1 1 A 87 87 CYS HA H 84 5.290 4.713 0.577 1
1 1066 . 18 1 1 A 87 87 CYS C C 84 175.300 175.940 -0.640 1
1 1067 . 18 1 1 A 87 87 CYS CA C 84 56.600 58.890 -2.290 1
1 1068 . 18 1 1 A 87 87 CYS CB C 84 27.800 27.830 -0.030 1
1 1069 . 18 1 1 A 87 87 CYS N N 84 126.300 126.084 0.216 1
1 1070 . 18 1 1 A 88 88 MET H H 85 8.760 8.730 0.030 1
1 1071 . 18 1 1 A 88 88 MET HA H 85 3.630 4.158 -0.528 1
1 1079 . 18 1 1 A 88 88 MET C C 85 177.500 177.952 -0.452 1
1 1080 . 18 1 1 A 88 88 MET CA C 85 58.800 58.729 0.071 1
1 1081 . 18 1 1 A 88 88 MET CB C 85 33.800 32.821 0.979 1
1 1084 . 18 1 1 A 88 88 MET N N 85 130.500 125.394 5.106 1
1 1085 . 18 1 1 A 89 89 GLU H H 86 9.160 8.061 1.099 1
1 1086 . 18 1 1 A 89 89 GLU HA H 86 3.770 4.227 -0.457 1
1 1091 . 18 1 1 A 89 89 GLU C C 86 177.500 177.471 0.029 1
1 1092 . 18 1 1 A 89 89 GLU CA C 86 60.900 57.253 3.647 1
1 1093 . 18 1 1 A 89 89 GLU CB C 86 29.300 30.156 -0.856 1
1 1095 . 18 1 1 A 89 89 GLU N N 86 119.200 117.820 1.380 1
1 1096 . 18 1 1 A 90 90 ASP H H 87 7.080 7.945 -0.865 1
1 1097 . 18 1 1 A 90 90 ASP HA H 87 4.590 4.987 -0.397 1
1 1100 . 18 1 1 A 90 90 ASP CA C 87 54.700 54.223 0.477 1
1 1101 . 18 1 1 A 90 90 ASP CB C 87 41.800 41.567 0.233 1
1 1102 . 18 1 1 A 90 90 ASP N N 87 115.800 118.500 -2.700 1
1 1103 . 18 1 1 A 91 91 GLU H H 88 9.340 8.228 1.112 1
1 1104 . 18 1 1 A 91 91 GLU HA H 88 4.290 4.318 -0.028 1
1 1109 . 18 1 1 A 91 91 GLU C C 88 178.900 178.251 0.649 1
1 1110 . 18 1 1 A 91 91 GLU CA C 88 59.000 59.510 -0.510 1
1 1111 . 18 1 1 A 91 91 GLU CB C 88 29.100 29.187 -0.087 1
1 1113 . 18 1 1 A 91 91 GLU N N 88 127.400 119.667 7.733 1
1 1114 . 18 1 1 A 92 92 GLN H H 89 8.920 7.885 1.035 1
1 1115 . 18 1 1 A 92 92 GLN HA H 89 4.170 3.882 0.288 1
1 1122 . 18 1 1 A 92 92 GLN C C 89 176.600 176.475 0.125 1
1 1123 . 18 1 1 A 92 92 GLN CA C 89 57.800 58.389 -0.589 1
1 1124 . 18 1 1 A 92 92 GLN CB C 89 28.400 28.601 -0.201 1
1 1127 . 18 1 1 A 92 92 GLN N N 89 120.400 118.644 1.756 1
1 1129 . 18 1 1 A 93 93 PHE H H 90 8.150 8.916 -0.766 1
1 1130 . 18 1 1 A 93 93 PHE HA H 90 4.430 4.814 -0.384 1
1 1138 . 18 1 1 A 93 93 PHE C C 90 172.600 175.321 -2.721 1
1 1139 . 18 1 1 A 93 93 PHE CA C 90 57.800 57.169 0.631 1
1 1140 . 18 1 1 A 93 93 PHE CB C 90 39.300 38.460 0.840 1
1 1146 . 18 1 1 A 93 93 PHE N N 90 119.700 115.157 4.543 1
1 1147 . 18 1 1 A 94 94 SER H H 91 7.020 7.253 -0.233 1
1 1148 . 18 1 1 A 94 94 SER HA H 91 4.870 5.049 -0.179 1
1 1152 . 18 1 1 A 94 94 SER C C 91 174.100 174.307 -0.207 1
1 1153 . 18 1 1 A 94 94 SER CA C 91 60.900 59.169 1.731 1
1 1154 . 18 1 1 A 94 94 SER CB C 91 63.600 64.199 -0.599 1
1 1155 . 18 1 1 A 94 94 SER N N 91 112.700 116.446 -3.746 1
1 1156 . 18 1 1 A 95 95 VAL H H 92 9.120 8.245 0.875 1
1 1157 . 18 1 1 A 95 95 VAL HA H 92 4.810 4.602 0.208 1
1 1165 . 18 1 1 A 95 95 VAL C C 92 175.700 174.861 0.839 1
1 1166 . 18 1 1 A 95 95 VAL CA C 92 59.200 60.345 -1.145 1
1 1167 . 18 1 1 A 95 95 VAL CB C 92 35.700 33.741 1.959 1
1 1170 . 18 1 1 A 95 95 VAL N N 92 116.900 119.864 -2.964 1
1 1171 . 18 1 1 A 96 96 LYS H H 93 8.390 8.556 -0.166 1
1 1172 . 18 1 1 A 96 96 LYS HA H 93 4.010 4.599 -0.589 1
1 1181 . 18 1 1 A 96 96 LYS C C 93 174.800 175.271 -0.471 1
1 1182 . 18 1 1 A 96 96 LYS CA C 93 57.700 54.854 2.846 1
1 1183 . 18 1 1 A 96 96 LYS CB C 93 34.000 33.709 0.291 1
1 1187 . 18 1 1 A 96 96 LYS N N 93 120.300 122.834 -2.534 1
1 1188 . 18 1 1 A 97 97 HIS H H 94 8.030 8.834 -0.804 1
1 1189 . 18 1 1 A 97 97 HIS HA H 94 5.060 5.063 -0.003 1
1 1194 . 18 1 1 A 97 97 HIS C C 94 172.600 173.190 -0.590 1
1 1195 . 18 1 1 A 97 97 HIS CA C 94 54.700 54.667 0.033 1
1 1196 . 18 1 1 A 97 97 HIS CB C 94 31.400 31.372 0.028 1
1 1199 . 18 1 1 A 97 97 HIS N N 94 121.000 126.685 -5.685 1
1 1200 . 18 1 1 A 98 98 TYR H H 95 7.610 9.154 -1.544 1
1 1201 . 18 1 1 A 98 98 TYR HA H 95 4.410 4.706 -0.296 1
1 1208 . 18 1 1 A 98 98 TYR C C 95 173.600 175.732 -2.132 1
1 1209 . 18 1 1 A 98 98 TYR CA C 95 56.400 57.000 -0.600 1
1 1210 . 18 1 1 A 98 98 TYR CB C 95 40.900 39.915 0.985 1
1 1215 . 18 1 1 A 98 98 TYR N N 95 121.800 126.545 -4.745 1
1 1216 . 18 1 1 A 99 99 GLU H H 96 8.480 8.502 -0.022 1
1 1217 . 18 1 1 A 99 99 GLU HA H 96 4.420 4.717 -0.297 1
1 1222 . 18 1 1 A 99 99 GLU C C 96 174.300 175.701 -1.401 1
1 1223 . 18 1 1 A 99 99 GLU CA C 96 56.600 56.501 0.099 1
1 1224 . 18 1 1 A 99 99 GLU CB C 96 30.700 30.199 0.501 1
1 1226 . 18 1 1 A 99 99 GLU N N 96 122.200 122.521 -0.321 1
1 1227 . 18 1 1 A 100 100 ALA H H 97 8.420 8.979 -0.559 1
1 1228 . 18 1 1 A 100 100 ALA HA H 97 5.940 6.087 -0.147 1
1 1232 . 18 1 1 A 100 100 ALA C C 97 176.100 176.073 0.027 1
1 1233 . 18 1 1 A 100 100 ALA CA C 97 50.400 50.091 0.309 1
1 1234 . 18 1 1 A 100 100 ALA CB C 97 23.700 22.962 0.738 1
1 1235 . 18 1 1 A 100 100 ALA N N 97 124.100 128.247 -4.147 1
1 1236 . 18 1 1 A 101 101 ARG H H 98 9.000 8.906 0.094 1
1 1237 . 18 1 1 A 101 101 ARG HA H 98 4.640 5.042 -0.402 1
1 1245 . 18 1 1 A 101 101 ARG C C 98 172.100 174.086 -1.986 1
1 1246 . 18 1 1 A 101 101 ARG CA C 98 54.200 54.270 -0.070 1
1 1247 . 18 1 1 A 101 101 ARG CB C 98 32.800 33.923 -1.123 1
1 1250 . 18 1 1 A 101 101 ARG N N 98 118.400 118.331 0.069 1
1 1252 . 18 1 1 A 102 102 VAL H H 99 8.330 8.723 -0.393 1
1 1253 . 18 1 1 A 102 102 VAL HA H 99 4.720 4.546 0.174 1
1 1261 . 18 1 1 A 102 102 VAL C C 99 175.200 174.022 1.178 1
1 1262 . 18 1 1 A 102 102 VAL CA C 99 61.100 61.733 -0.633 1
1 1263 . 18 1 1 A 102 102 VAL CB C 99 32.700 32.702 -0.002 1
1 1266 . 18 1 1 A 102 102 VAL N N 99 119.500 122.225 -2.725 1
1 1267 . 18 1 1 A 103 103 LYS H H 100 9.070 9.403 -0.333 1
1 1268 . 18 1 1 A 103 103 LYS HA H 100 4.460 4.609 -0.149 1
1 1277 . 18 1 1 A 103 103 LYS C C 100 175.700 175.358 0.342 1
1 1278 . 18 1 1 A 103 103 LYS CA C 100 54.300 55.008 -0.708 1
1 1279 . 18 1 1 A 103 103 LYS CB C 100 34.800 34.358 0.442 1
1 1283 . 18 1 1 A 103 103 LYS N N 100 130.200 128.572 1.628 1
1 1284 . 18 1 1 A 104 104 ASP H H 101 9.560 9.467 0.093 1
1 1285 . 18 1 1 A 104 104 ASP HA H 101 4.210 4.338 -0.128 1
1 1288 . 18 1 1 A 104 104 ASP C C 101 175.800 176.132 -0.332 1
1 1289 . 18 1 1 A 104 104 ASP CA C 101 55.500 55.323 0.177 1
1 1290 . 18 1 1 A 104 104 ASP CB C 101 39.700 39.203 0.497 1
1 1291 . 18 1 1 A 104 104 ASP N N 101 130.600 127.893 2.707 1
1 1292 . 18 1 1 A 105 105 GLY H H 102 8.260 8.395 -0.135 1
1 1293 . 18 1 1 A 105 105 GLY HA2 H 102 3.450 3.817 -0.367 1
1 1294 . 18 1 1 A 105 105 GLY HA3 H 102 4.170 3.818 0.352 1
1 1295 . 18 1 1 A 105 105 GLY C C 102 173.300 173.624 -0.324 1
1 1296 . 18 1 1 A 105 105 GLY CA C 102 45.300 45.302 -0.002 1
1 1297 . 18 1 1 A 105 105 GLY N N 102 101.900 105.232 -3.332 1
1 1298 . 18 1 1 A 106 106 VAL H H 103 7.900 8.162 -0.262 1
1 1299 . 18 1 1 A 106 106 VAL HA H 103 4.270 4.412 -0.142 1
1 1307 . 18 1 1 A 106 106 VAL C C 103 175.100 174.818 0.282 1
1 1308 . 18 1 1 A 106 106 VAL CA C 103 62.100 61.210 0.890 1
1 1309 . 18 1 1 A 106 106 VAL CB C 103 34.100 34.091 0.009 1
1 1312 . 18 1 1 A 106 106 VAL N N 103 123.800 122.248 1.552 1
1 1313 . 18 1 1 A 107 107 VAL H H 104 9.290 9.231 0.059 1
1 1314 . 18 1 1 A 107 107 VAL HA H 104 4.220 4.147 0.073 1
1 1322 . 18 1 1 A 107 107 VAL C C 104 174.300 175.354 -1.054 1
1 1323 . 18 1 1 A 107 107 VAL CA C 104 62.700 62.921 -0.221 1
1 1324 . 18 1 1 A 107 107 VAL CB C 104 31.500 31.550 -0.050 1
1 1327 . 18 1 1 A 107 107 VAL N N 104 127.300 128.197 -0.897 1
1 1328 . 18 1 1 A 108 108 GLN H H 105 9.410 9.051 0.359 1
1 1329 . 18 1 1 A 108 108 GLN HA H 105 5.720 4.922 0.798 1
1 1336 . 18 1 1 A 108 108 GLN C C 105 174.900 174.922 -0.022 1
1 1337 . 18 1 1 A 108 108 GLN CA C 105 53.400 54.679 -1.279 1
1 1338 . 18 1 1 A 108 108 GLN CB C 105 34.600 31.480 3.120 1
1 1341 . 18 1 1 A 108 108 GLN N N 105 126.500 127.325 -0.825 1
1 1343 . 18 1 1 A 109 109 LEU H H 106 8.530 9.465 -0.935 1
1 1344 . 18 1 1 A 109 109 LEU HA H 106 5.760 5.018 0.742 1
1 1354 . 18 1 1 A 109 109 LEU C C 106 176.300 174.916 1.384 1
1 1355 . 18 1 1 A 109 109 LEU CA C 106 52.800 53.620 -0.820 1
1 1356 . 18 1 1 A 109 109 LEU CB C 106 48.900 43.259 5.641 1
1 1360 . 18 1 1 A 109 109 LEU N N 106 118.900 124.992 -6.092 1
1 1361 . 18 1 1 A 110 110 ARG H H 107 8.310 9.170 -0.860 1
1 1362 . 18 1 1 A 110 110 ARG HA H 107 4.230 4.854 -0.624 1
1 1370 . 18 1 1 A 110 110 ARG C C 107 174.800 175.898 -1.098 1
1 1371 . 18 1 1 A 110 110 ARG CA C 107 55.700 55.009 0.691 1
1 1372 . 18 1 1 A 110 110 ARG CB C 107 31.900 29.890 2.010 1
1 1375 . 18 1 1 A 110 110 ARG N N 107 119.900 125.827 -5.927 1
1 1377 . 18 1 1 A 111 111 GLY H H 108 8.390 8.437 -0.047 1
1 1378 . 18 1 1 A 111 111 GLY HA2 H 108 3.880 4.137 -0.257 1
1 1379 . 18 1 1 A 111 111 GLY HA3 H 108 4.130 4.252 -0.122 1
1 1380 . 18 1 1 A 111 111 GLY C C 108 173.500 174.516 -1.016 1
1 1381 . 18 1 1 A 111 111 GLY CA C 108 45.000 45.902 -0.902 1
1 1382 . 18 1 1 A 111 111 GLY N N 108 110.000 113.572 -3.572 1
1 1383 . 18 1 1 A 112 112 GLY H H 109 8.280 7.491 0.789 1
1 1384 . 18 1 1 A 112 112 GLY HA2 H 109 3.850 4.096 -0.246 1
1 1385 . 18 1 1 A 112 112 GLY HA3 H 109 3.950 4.120 -0.170 1
1 1386 . 18 1 1 A 112 112 GLY C C 109 173.200 172.009 1.191 1
1 1387 . 18 1 1 A 112 112 GLY CA C 109 45.100 45.697 -0.597 1
1 1388 . 18 1 1 A 112 112 GLY N N 109 108.400 104.701 3.699 1
1 10 . 19 1 1 A 5 5 SER H H 2 8.360 8.591 -0.231 1
1 11 . 19 1 1 A 5 5 SER HA H 2 4.400 4.390 0.010 1
1 14 . 19 1 1 A 5 5 SER C C 2 174.100 173.928 0.172 1
1 15 . 19 1 1 A 5 5 SER CA C 2 58.200 59.837 -1.637 1
1 16 . 19 1 1 A 5 5 SER CB C 2 63.700 62.844 0.856 1
1 17 . 19 1 1 A 5 5 SER N N 2 117.000 117.987 -0.987 1
1 18 . 19 1 1 A 6 6 GLN H H 3 8.280 8.072 0.208 1
1 19 . 19 1 1 A 6 6 GLN HA H 3 4.320 5.013 -0.693 1
1 26 . 19 1 1 A 6 6 GLN C C 3 175.500 174.515 0.985 1
1 27 . 19 1 1 A 6 6 GLN CA C 3 55.400 54.897 0.503 1
1 28 . 19 1 1 A 6 6 GLN CB C 3 30.100 29.515 0.585 1
1 31 . 19 1 1 A 6 6 GLN N N 3 121.800 125.156 -3.356 1
1 33 . 19 1 1 A 7 7 TRP H H 4 8.170 8.874 -0.704 1
1 34 . 19 1 1 A 7 7 TRP HA H 4 4.470 4.847 -0.377 1
1 43 . 19 1 1 A 7 7 TRP C C 4 176.200 175.887 0.313 1
1 44 . 19 1 1 A 7 7 TRP CA C 4 57.600 58.351 -0.751 1
1 45 . 19 1 1 A 7 7 TRP CB C 4 30.300 29.332 0.968 1
1 51 . 19 1 1 A 7 7 TRP N N 4 122.300 126.656 -4.356 1
1 53 . 19 1 1 A 8 8 LYS H H 5 9.370 8.633 0.737 1
1 54 . 19 1 1 A 8 8 LYS HA H 5 4.690 4.562 0.128 1
1 63 . 19 1 1 A 8 8 LYS C C 5 175.600 175.834 -0.234 1
1 64 . 19 1 1 A 8 8 LYS CA C 5 54.200 56.098 -1.898 1
1 65 . 19 1 1 A 8 8 LYS CB C 5 34.700 33.317 1.383 1
1 69 . 19 1 1 A 8 8 LYS N N 5 125.100 125.770 -0.670 1
1 70 . 19 1 1 A 9 9 ASP H H 6 8.730 8.810 -0.080 1
1 71 . 19 1 1 A 9 9 ASP HA H 6 4.500 4.911 -0.411 1
1 74 . 19 1 1 A 9 9 ASP C C 6 176.200 176.095 0.105 1
1 75 . 19 1 1 A 9 9 ASP CA C 6 55.400 54.489 0.911 1
1 76 . 19 1 1 A 9 9 ASP CB C 6 40.700 40.754 -0.054 1
1 77 . 19 1 1 A 9 9 ASP N N 6 125.400 126.439 -1.039 1
1 78 . 19 1 1 A 10 10 ILE H H 7 9.300 9.629 -0.329 1
1 79 . 19 1 1 A 10 10 ILE HA H 7 4.300 4.043 0.257 1
1 89 . 19 1 1 A 10 10 ILE C C 7 175.500 175.852 -0.352 1
1 90 . 19 1 1 A 10 10 ILE CA C 7 60.000 63.151 -3.151 1
1 91 . 19 1 1 A 10 10 ILE CB C 7 37.700 38.228 -0.528 1
1 95 . 19 1 1 A 10 10 ILE N N 7 122.900 124.160 -1.260 1
1 96 . 19 1 1 A 11 11 CYS H H 8 7.510 7.694 -0.184 1
1 97 . 19 1 1 A 11 11 CYS HA H 8 4.880 4.649 0.231 1
1 100 . 19 1 1 A 11 11 CYS C C 8 172.300 172.739 -0.439 1
1 101 . 19 1 1 A 11 11 CYS CA C 8 55.700 58.092 -2.392 1
1 102 . 19 1 1 A 11 11 CYS CB C 8 28.800 31.558 -2.758 1
1 103 . 19 1 1 A 11 11 CYS N N 8 111.400 115.470 -4.070 1
1 104 . 19 1 1 A 12 12 LYS H H 9 8.920 8.561 0.359 1
1 105 . 19 1 1 A 12 12 LYS HA H 9 4.880 4.260 0.620 1
1 114 . 19 1 1 A 12 12 LYS C C 9 179.400 178.414 0.986 1
1 115 . 19 1 1 A 12 12 LYS CA C 9 55.700 56.332 -0.632 1
1 116 . 19 1 1 A 12 12 LYS CB C 9 32.100 33.716 -1.616 1
1 120 . 19 1 1 A 12 12 LYS N N 9 120.100 123.287 -3.187 1
1 121 . 19 1 1 A 13 13 ILE H H 10 8.640 9.316 -0.676 1
1 122 . 19 1 1 A 13 13 ILE HA H 10 3.990 4.111 -0.121 1
1 132 . 19 1 1 A 13 13 ILE C C 10 174.900 176.829 -1.929 1
1 133 . 19 1 1 A 13 13 ILE CA C 10 61.000 63.219 -2.219 1
1 134 . 19 1 1 A 13 13 ILE CB C 10 37.800 38.059 -0.259 1
1 138 . 19 1 1 A 13 13 ILE N N 10 123.700 128.179 -4.479 1
1 139 . 19 1 1 A 14 14 ASP H H 11 7.600 8.067 -0.467 1
1 140 . 19 1 1 A 14 14 ASP HA H 11 4.350 4.427 -0.077 1
1 143 . 19 1 1 A 14 14 ASP C C 11 176.500 177.879 -1.379 1
1 144 . 19 1 1 A 14 14 ASP CA C 11 55.400 56.562 -1.162 1
1 145 . 19 1 1 A 14 14 ASP CB C 11 40.400 40.860 -0.460 1
1 146 . 19 1 1 A 14 14 ASP N N 11 115.800 121.628 -5.828 1
1 147 . 19 1 1 A 15 15 ASP H H 12 7.600 7.848 -0.248 1
1 148 . 19 1 1 A 15 15 ASP HA H 12 4.490 4.532 -0.042 1
1 151 . 19 1 1 A 15 15 ASP C C 12 175.600 175.645 -0.045 1
1 152 . 19 1 1 A 15 15 ASP CA C 12 55.500 55.753 -0.253 1
1 153 . 19 1 1 A 15 15 ASP CB C 12 40.900 41.569 -0.669 1
1 154 . 19 1 1 A 15 15 ASP N N 12 116.800 117.421 -0.621 1
1 155 . 19 1 1 A 16 16 ILE H H 13 7.700 7.854 -0.154 1
1 156 . 19 1 1 A 16 16 ILE HA H 13 4.000 4.358 -0.358 1
1 166 . 19 1 1 A 16 16 ILE C C 13 174.100 175.209 -1.109 1
1 167 . 19 1 1 A 16 16 ILE CA C 13 60.500 60.569 -0.069 1
1 168 . 19 1 1 A 16 16 ILE CB C 13 38.200 38.709 -0.509 1
1 172 . 19 1 1 A 16 16 ILE N N 13 120.900 120.610 0.290 1
1 173 . 19 1 1 A 17 17 LEU H H 14 7.970 8.907 -0.937 1
1 174 . 19 1 1 A 17 17 LEU HA H 14 4.370 4.574 -0.204 1
1 184 . 19 1 1 A 17 17 LEU CA C 14 53.800 53.377 0.423 1
1 185 . 19 1 1 A 17 17 LEU CB C 14 40.500 40.803 -0.303 1
1 189 . 19 1 1 A 17 17 LEU N N 14 127.800 129.690 -1.890 1
1 190 . 19 1 1 A 18 18 PRO HA H 15 4.080 4.397 -0.317 1
1 197 . 19 1 1 A 18 18 PRO C C 15 175.700 176.822 -1.122 1
1 198 . 19 1 1 A 18 18 PRO CA C 15 64.300 63.610 0.690 1
1 199 . 19 1 1 A 18 18 PRO CB C 15 31.600 32.341 -0.741 1
1 202 . 19 1 1 A 19 19 GLU H H 16 8.930 8.646 0.284 1
1 203 . 19 1 1 A 19 19 GLU HA H 16 3.660 3.892 -0.232 1
1 208 . 19 1 1 A 19 19 GLU C C 16 175.500 175.563 -0.063 1
1 209 . 19 1 1 A 19 19 GLU CA C 16 58.300 57.499 0.801 1
1 210 . 19 1 1 A 19 19 GLU CB C 16 27.300 28.520 -1.220 1
1 212 . 19 1 1 A 19 19 GLU N N 16 113.700 115.911 -2.211 1
1 213 . 19 1 1 A 20 20 THR H H 17 7.790 7.333 0.457 1
1 214 . 19 1 1 A 20 20 THR HA H 17 5.080 5.115 -0.035 1
1 220 . 19 1 1 A 20 20 THR C C 17 172.100 173.584 -1.484 1
1 221 . 19 1 1 A 20 20 THR CA C 17 60.700 59.660 1.040 1
1 222 . 19 1 1 A 20 20 THR CB C 17 73.100 72.427 0.673 1
1 224 . 19 1 1 A 20 20 THR N N 17 110.000 108.847 1.153 1
1 225 . 19 1 1 A 21 21 GLY H H 18 8.080 8.577 -0.497 1
1 226 . 19 1 1 A 21 21 GLY HA2 H 18 3.070 4.263 -1.193 1
1 227 . 19 1 1 A 21 21 GLY HA3 H 18 5.270 4.284 0.986 1
1 228 . 19 1 1 A 21 21 GLY C C 18 173.400 172.146 1.254 1
1 229 . 19 1 1 A 21 21 GLY CA C 18 44.600 44.128 0.472 1
1 230 . 19 1 1 A 21 21 GLY N N 18 103.700 108.769 -5.069 1
1 231 . 19 1 1 A 22 22 VAL H H 19 8.520 9.135 -0.615 1
1 232 . 19 1 1 A 22 22 VAL HA H 19 4.570 5.002 -0.432 1
1 240 . 19 1 1 A 22 22 VAL C C 19 172.900 173.925 -1.025 1
1 241 . 19 1 1 A 22 22 VAL CA C 19 58.900 58.813 0.087 1
1 242 . 19 1 1 A 22 22 VAL CB C 19 35.900 35.991 -0.091 1
1 245 . 19 1 1 A 22 22 VAL N N 19 112.900 117.480 -4.580 1
1 246 . 19 1 1 A 23 23 CYS H H 20 8.290 9.029 -0.739 1
1 247 . 19 1 1 A 23 23 CYS HA H 20 5.250 5.435 -0.185 1
1 250 . 19 1 1 A 23 23 CYS C C 20 173.500 173.251 0.249 1
1 251 . 19 1 1 A 23 23 CYS CA C 20 56.300 56.918 -0.618 1
1 252 . 19 1 1 A 23 23 CYS CB C 20 27.600 30.120 -2.520 1
1 253 . 19 1 1 A 23 23 CYS N N 20 120.700 119.508 1.192 1
1 254 . 19 1 1 A 24 24 ALA H H 21 9.590 9.541 0.049 1
1 255 . 19 1 1 A 24 24 ALA HA H 21 4.580 5.118 -0.538 1
1 259 . 19 1 1 A 24 24 ALA C C 21 174.400 175.305 -0.905 1
1 260 . 19 1 1 A 24 24 ALA CA C 21 50.200 50.710 -0.510 1
1 261 . 19 1 1 A 24 24 ALA CB C 21 23.400 23.992 -0.592 1
1 262 . 19 1 1 A 24 24 ALA N N 21 132.500 124.028 8.472 1
1 263 . 19 1 1 A 25 25 LEU H H 22 8.100 8.703 -0.603 1
1 264 . 19 1 1 A 25 25 LEU HA H 22 4.860 5.020 -0.160 1
1 274 . 19 1 1 A 25 25 LEU C C 22 175.800 173.841 1.959 1
1 275 . 19 1 1 A 25 25 LEU CA C 22 53.800 53.508 0.292 1
1 276 . 19 1 1 A 25 25 LEU CB C 22 43.600 45.803 -2.203 1
1 280 . 19 1 1 A 25 25 LEU N N 22 120.700 119.899 0.801 1
1 281 . 19 1 1 A 26 26 LEU H H 23 8.660 8.955 -0.295 1
1 282 . 19 1 1 A 26 26 LEU HA H 23 4.410 4.617 -0.207 1
1 292 . 19 1 1 A 26 26 LEU C C 23 176.600 176.670 -0.070 1
1 293 . 19 1 1 A 26 26 LEU CA C 23 53.100 53.185 -0.085 1
1 294 . 19 1 1 A 26 26 LEU CB C 23 43.400 43.293 0.107 1
1 298 . 19 1 1 A 26 26 LEU N N 23 125.800 128.506 -2.706 1
1 299 . 19 1 1 A 27 27 GLY H H 24 8.910 8.926 -0.016 1
1 300 . 19 1 1 A 27 27 GLY HA2 H 24 3.560 3.815 -0.255 1
1 301 . 19 1 1 A 27 27 GLY HA3 H 24 4.000 3.821 0.179 1
1 302 . 19 1 1 A 27 27 GLY C C 24 173.800 174.445 -0.645 1
1 303 . 19 1 1 A 27 27 GLY CA C 24 47.300 47.322 -0.022 1
1 304 . 19 1 1 A 27 27 GLY N N 24 118.300 116.573 1.727 1
1 305 . 19 1 1 A 28 28 ASP H H 25 8.800 8.718 0.082 1
1 306 . 19 1 1 A 28 28 ASP HA H 25 4.690 4.674 0.016 1
1 309 . 19 1 1 A 28 28 ASP C C 25 176.100 175.502 0.598 1
1 310 . 19 1 1 A 28 28 ASP CA C 25 53.900 53.867 0.033 1
1 311 . 19 1 1 A 28 28 ASP CB C 25 41.300 41.744 -0.444 1
1 312 . 19 1 1 A 28 28 ASP N N 25 126.600 126.088 0.512 1
1 313 . 19 1 1 A 29 29 GLU H H 26 8.100 7.753 0.347 1
1 314 . 19 1 1 A 29 29 GLU HA H 26 4.440 4.598 -0.158 1
1 319 . 19 1 1 A 29 29 GLU C C 26 174.800 175.671 -0.871 1
1 320 . 19 1 1 A 29 29 GLU CA C 26 55.800 55.607 0.193 1
1 321 . 19 1 1 A 29 29 GLU CB C 26 30.600 31.065 -0.465 1
1 323 . 19 1 1 A 29 29 GLU N N 26 120.400 118.664 1.736 1
1 324 . 19 1 1 A 30 30 GLN H H 27 8.640 8.621 0.019 1
1 325 . 19 1 1 A 30 30 GLN HA H 27 4.510 4.641 -0.131 1
1 332 . 19 1 1 A 30 30 GLN C C 27 175.800 175.807 -0.007 1
1 333 . 19 1 1 A 30 30 GLN CA C 27 55.700 55.851 -0.151 1
1 334 . 19 1 1 A 30 30 GLN CB C 27 29.300 29.419 -0.119 1
1 336 . 19 1 1 A 30 30 GLN N N 27 121.300 122.578 -1.278 1
1 338 . 19 1 1 A 31 31 VAL H H 28 9.280 8.836 0.444 1
1 339 . 19 1 1 A 31 31 VAL HA H 28 4.040 4.646 -0.606 1
1 347 . 19 1 1 A 31 31 VAL C C 28 172.900 173.833 -0.933 1
1 348 . 19 1 1 A 31 31 VAL CA C 28 61.900 59.994 1.906 1
1 349 . 19 1 1 A 31 31 VAL CB C 28 34.800 35.244 -0.444 1
1 352 . 19 1 1 A 31 31 VAL N N 28 128.600 123.501 5.099 1
1 353 . 19 1 1 A 32 32 ALA H H 29 9.440 9.279 0.161 1
1 354 . 19 1 1 A 32 32 ALA HA H 29 4.680 5.061 -0.381 1
1 358 . 19 1 1 A 32 32 ALA C C 29 175.200 175.544 -0.344 1
1 359 . 19 1 1 A 32 32 ALA CA C 29 50.500 50.028 0.472 1
1 360 . 19 1 1 A 32 32 ALA CB C 29 20.200 20.822 -0.622 1
1 361 . 19 1 1 A 32 32 ALA N N 29 130.400 128.201 2.199 1
1 362 . 19 1 1 A 33 33 ILE H H 30 8.590 8.720 -0.130 1
1 363 . 19 1 1 A 33 33 ILE HA H 30 4.680 4.917 -0.237 1
1 373 . 19 1 1 A 33 33 ILE C C 30 174.800 174.496 0.304 1
1 374 . 19 1 1 A 33 33 ILE CA C 30 59.900 60.354 -0.454 1
1 375 . 19 1 1 A 33 33 ILE CB C 30 39.300 39.431 -0.131 1
1 379 . 19 1 1 A 33 33 ILE N N 30 120.600 123.674 -3.074 1
1 380 . 19 1 1 A 34 34 PHE H H 31 9.430 9.578 -0.148 1
1 381 . 19 1 1 A 34 34 PHE HA H 31 5.070 5.314 -0.244 1
1 386 . 19 1 1 A 34 34 PHE C C 31 174.800 174.454 0.346 1
1 387 . 19 1 1 A 34 34 PHE CA C 31 57.200 56.452 0.748 1
1 388 . 19 1 1 A 34 34 PHE CB C 31 43.400 42.296 1.104 1
1 391 . 19 1 1 A 34 34 PHE N N 31 121.800 126.084 -4.284 1
1 392 . 19 1 1 A 35 35 ARG H H 32 8.450 9.382 -0.932 1
1 393 . 19 1 1 A 35 35 ARG HA H 32 5.470 5.049 0.421 1
1 403 . 19 1 1 A 35 35 ARG CA C 32 52.000 52.623 -0.623 1
1 404 . 19 1 1 A 35 35 ARG CB C 32 33.200 31.583 1.617 1
1 407 . 19 1 1 A 35 35 ARG N N 32 123.000 124.184 -1.184 1
1 410 . 19 1 1 A 36 36 PRO HA H 33 3.910 4.550 -0.640 1
1 417 . 19 1 1 A 36 36 PRO C C 33 174.300 175.303 -1.003 1
1 418 . 19 1 1 A 36 36 PRO CA C 33 64.600 63.659 0.941 1
1 419 . 19 1 1 A 36 36 PRO CB C 33 32.800 32.808 -0.008 1
1 422 . 19 1 1 A 37 37 TYR H H 34 9.000 7.643 1.357 1
1 423 . 19 1 1 A 37 37 TYR HA H 34 5.250 4.829 0.421 1
1 430 . 19 1 1 A 37 37 TYR C C 34 175.000 175.843 -0.843 1
1 431 . 19 1 1 A 37 37 TYR CA C 34 54.200 56.472 -2.272 1
1 432 . 19 1 1 A 37 37 TYR CB C 34 41.000 42.575 -1.575 1
1 437 . 19 1 1 A 37 37 TYR N N 34 115.500 119.747 -4.247 1
1 438 . 19 1 1 A 38 38 HIS H H 35 8.700 8.845 -0.145 1
1 439 . 19 1 1 A 38 38 HIS HA H 35 4.490 4.687 -0.197 1
1 444 . 19 1 1 A 38 38 HIS C C 35 175.800 175.370 0.430 1
1 445 . 19 1 1 A 38 38 HIS CA C 35 56.400 58.375 -1.975 1
1 446 . 19 1 1 A 38 38 HIS CB C 35 28.600 30.142 -1.542 1
1 449 . 19 1 1 A 38 38 HIS N N 35 119.000 120.957 -1.957 1
1 450 . 19 1 1 A 39 39 SER H H 36 7.890 7.830 0.060 1
1 451 . 19 1 1 A 39 39 SER HA H 36 4.770 4.399 0.371 1
1 454 . 19 1 1 A 39 39 SER C C 36 173.800 174.119 -0.319 1
1 455 . 19 1 1 A 39 39 SER CA C 36 57.000 57.569 -0.569 1
1 456 . 19 1 1 A 39 39 SER CB C 36 64.700 64.503 0.197 1
1 457 . 19 1 1 A 39 39 SER N N 36 115.500 113.351 2.149 1
1 458 . 19 1 1 A 40 40 ASP H H 37 8.540 8.630 -0.090 1
1 459 . 19 1 1 A 40 40 ASP HA H 37 4.540 4.896 -0.356 1
1 462 . 19 1 1 A 40 40 ASP C C 37 174.700 174.700 0.000 1
1 463 . 19 1 1 A 40 40 ASP CA C 37 53.800 53.868 -0.068 1
1 464 . 19 1 1 A 40 40 ASP CB C 37 39.600 41.351 -1.751 1
1 465 . 19 1 1 A 40 40 ASP N N 37 119.400 117.700 1.700 1
1 466 . 19 1 1 A 41 41 GLN H H 38 7.490 7.622 -0.132 1
1 467 . 19 1 1 A 41 41 GLN HA H 38 4.140 4.620 -0.480 1
1 474 . 19 1 1 A 41 41 GLN C C 38 175.500 175.404 0.096 1
1 475 . 19 1 1 A 41 41 GLN CA C 38 57.100 55.551 1.549 1
1 476 . 19 1 1 A 41 41 GLN CB C 38 29.400 29.759 -0.359 1
1 479 . 19 1 1 A 41 41 GLN N N 38 118.700 118.252 0.448 1
1 481 . 19 1 1 A 42 42 VAL H H 39 7.800 8.793 -0.993 1
1 482 . 19 1 1 A 42 42 VAL HA H 39 5.600 5.246 0.354 1
1 490 . 19 1 1 A 42 42 VAL C C 39 174.200 174.412 -0.212 1
1 491 . 19 1 1 A 42 42 VAL CA C 39 58.200 59.564 -1.364 1
1 492 . 19 1 1 A 42 42 VAL CB C 39 36.500 35.632 0.868 1
1 495 . 19 1 1 A 42 42 VAL N N 39 116.100 118.461 -2.361 1
1 496 . 19 1 1 A 43 43 PHE H H 40 8.480 9.361 -0.881 1
1 497 . 19 1 1 A 43 43 PHE HA H 40 4.870 5.314 -0.444 1
1 504 . 19 1 1 A 43 43 PHE C C 40 173.900 174.567 -0.667 1
1 505 . 19 1 1 A 43 43 PHE CA C 40 56.800 56.393 0.407 1
1 506 . 19 1 1 A 43 43 PHE CB C 40 45.300 43.706 1.594 1
1 511 . 19 1 1 A 43 43 PHE N N 40 117.200 120.402 -3.202 1
1 512 . 19 1 1 A 44 44 ALA H H 41 9.520 8.837 0.683 1
1 513 . 19 1 1 A 44 44 ALA HA H 41 6.200 5.910 0.290 1
1 517 . 19 1 1 A 44 44 ALA C C 41 176.300 175.877 0.423 1
1 518 . 19 1 1 A 44 44 ALA CA C 41 50.900 50.629 0.271 1
1 519 . 19 1 1 A 44 44 ALA CB C 41 24.100 22.223 1.877 1
1 520 . 19 1 1 A 44 44 ALA N N 41 125.100 122.961 2.139 1
1 521 . 19 1 1 A 45 45 ILE H H 42 8.970 9.093 -0.123 1
1 522 . 19 1 1 A 45 45 ILE HA H 42 5.580 4.979 0.601 1
1 532 . 19 1 1 A 45 45 ILE C C 42 174.600 175.127 -0.527 1
1 533 . 19 1 1 A 45 45 ILE CA C 42 59.300 58.682 0.618 1
1 534 . 19 1 1 A 45 45 ILE CB C 42 44.300 41.918 2.382 1
1 538 . 19 1 1 A 45 45 ILE N N 42 117.100 117.903 -0.803 1
1 539 . 19 1 1 A 46 46 SER H H 43 8.460 8.761 -0.301 1
1 540 . 19 1 1 A 46 46 SER HA H 43 4.350 4.575 -0.225 1
1 543 . 19 1 1 A 46 46 SER C C 43 172.100 176.067 -3.967 1
1 544 . 19 1 1 A 46 46 SER CA C 43 59.500 60.003 -0.503 1
1 545 . 19 1 1 A 46 46 SER CB C 43 64.900 62.978 1.922 1
1 546 . 19 1 1 A 46 46 SER N N 43 112.400 119.144 -6.744 1
1 547 . 19 1 1 A 47 47 ASN H H 44 7.990 8.975 -0.985 1
1 548 . 19 1 1 A 47 47 ASN HA H 44 4.940 4.598 0.342 1
1 553 . 19 1 1 A 47 47 ASN C C 44 175.800 175.409 0.391 1
1 554 . 19 1 1 A 47 47 ASN CA C 44 53.800 54.827 -1.027 1
1 555 . 19 1 1 A 47 47 ASN CB C 44 40.600 38.389 2.211 1
1 556 . 19 1 1 A 47 47 ASN N N 44 117.800 122.755 -4.955 1
1 558 . 19 1 1 A 48 48 ILE H H 45 8.190 7.931 0.259 1
1 559 . 19 1 1 A 48 48 ILE HA H 45 4.100 4.311 -0.211 1
1 569 . 19 1 1 A 48 48 ILE C C 45 175.200 174.649 0.551 1
1 570 . 19 1 1 A 48 48 ILE CA C 45 59.400 60.662 -1.262 1
1 571 . 19 1 1 A 48 48 ILE CB C 45 36.500 38.066 -1.566 1
1 575 . 19 1 1 A 48 48 ILE N N 45 118.300 120.309 -2.009 1
1 576 . 19 1 1 A 49 49 ASP H H 46 8.720 8.714 0.006 1
1 577 . 19 1 1 A 49 49 ASP HA H 46 4.530 4.968 -0.438 1
1 580 . 19 1 1 A 49 49 ASP CA C 46 51.400 52.480 -1.080 1
1 581 . 19 1 1 A 49 49 ASP CB C 46 42.900 40.417 2.483 1
1 582 . 19 1 1 A 49 49 ASP N N 46 128.600 129.273 -0.673 1
1 583 . 19 1 1 A 50 50 PRO HA H 47 4.500 4.594 -0.094 1
1 590 . 19 1 1 A 50 50 PRO C C 47 177.800 177.656 0.144 1
1 591 . 19 1 1 A 50 50 PRO CA C 47 63.700 63.620 0.080 1
1 592 . 19 1 1 A 50 50 PRO CB C 47 32.200 33.170 -0.970 1
1 595 . 19 1 1 A 51 51 PHE H H 48 9.270 7.863 1.407 1
1 596 . 19 1 1 A 51 51 PHE HA H 48 3.980 4.149 -0.169 1
1 601 . 19 1 1 A 51 51 PHE C C 48 177.100 177.901 -0.801 1
1 602 . 19 1 1 A 51 51 PHE CA C 48 61.400 61.689 -0.289 1
1 603 . 19 1 1 A 51 51 PHE CB C 48 37.900 39.818 -1.918 1
1 606 . 19 1 1 A 51 51 PHE N N 48 121.800 119.213 2.587 1
1 607 . 19 1 1 A 52 52 PHE H H 49 7.440 8.884 -1.444 1
1 608 . 19 1 1 A 52 52 PHE HA H 49 4.560 4.375 0.185 1
1 616 . 19 1 1 A 52 52 PHE C C 49 176.100 175.427 0.673 1
1 617 . 19 1 1 A 52 52 PHE CA C 49 58.300 60.439 -2.139 1
1 618 . 19 1 1 A 52 52 PHE CB C 49 42.000 40.202 1.798 1
1 624 . 19 1 1 A 52 52 PHE N N 49 114.500 119.955 -5.455 1
1 625 . 19 1 1 A 53 53 GLU H H 50 8.590 8.430 0.160 1
1 626 . 19 1 1 A 53 53 GLU HA H 50 3.780 4.555 -0.775 1
1 631 . 19 1 1 A 53 53 GLU C C 50 175.000 175.100 -0.100 1
1 632 . 19 1 1 A 53 53 GLU CA C 50 57.300 57.373 -0.073 1
1 633 . 19 1 1 A 53 53 GLU CB C 50 27.100 27.380 -0.280 1
1 635 . 19 1 1 A 53 53 GLU N N 50 120.300 118.390 1.910 1
1 636 . 19 1 1 A 54 54 SER H H 51 7.100 8.493 -1.393 1
1 637 . 19 1 1 A 54 54 SER HA H 51 4.910 5.016 -0.106 1
1 640 . 19 1 1 A 54 54 SER CA C 51 56.500 56.857 -0.357 1
1 641 . 19 1 1 A 54 54 SER CB C 51 66.100 64.995 1.105 1
1 642 . 19 1 1 A 54 54 SER N N 51 110.300 111.581 -1.281 1
1 643 . 19 1 1 A 55 55 SER HA H 52 4.550 4.729 -0.179 1
1 646 . 19 1 1 A 55 55 SER C C 52 173.500 174.237 -0.737 1
1 647 . 19 1 1 A 55 55 SER CA C 52 56.700 57.278 -0.578 1
1 648 . 19 1 1 A 55 55 SER CB C 52 62.100 63.613 -1.513 1
1 649 . 19 1 1 A 56 56 VAL H H 53 7.590 8.291 -0.701 1
1 650 . 19 1 1 A 56 56 VAL HA H 53 4.900 4.526 0.374 1
1 658 . 19 1 1 A 56 56 VAL C C 53 176.800 176.669 0.131 1
1 659 . 19 1 1 A 56 56 VAL CA C 53 61.300 62.148 -0.848 1
1 660 . 19 1 1 A 56 56 VAL CB C 53 36.200 32.153 4.047 1
1 663 . 19 1 1 A 56 56 VAL N N 53 117.400 117.244 0.156 1
1 664 . 19 1 1 A 57 57 LEU H H 54 8.690 8.800 -0.110 1
1 665 . 19 1 1 A 57 57 LEU HA H 54 3.930 4.386 -0.456 1
1 675 . 19 1 1 A 57 57 LEU C C 54 179.500 178.340 1.160 1
1 676 . 19 1 1 A 57 57 LEU CA C 54 60.000 56.342 3.658 1
1 677 . 19 1 1 A 57 57 LEU CB C 54 40.800 41.450 -0.650 1
1 681 . 19 1 1 A 57 57 LEU N N 54 121.100 127.268 -6.168 1
1 682 . 19 1 1 A 58 58 SER H H 55 9.750 8.350 1.400 1
1 683 . 19 1 1 A 58 58 SER HA H 55 3.800 4.461 -0.661 1
1 686 . 19 1 1 A 58 58 SER C C 55 174.100 175.582 -1.482 1
1 687 . 19 1 1 A 58 58 SER CA C 55 61.600 61.394 0.206 1
1 688 . 19 1 1 A 58 58 SER CB C 55 61.900 62.962 -1.062 1
1 689 . 19 1 1 A 58 58 SER N N 55 113.400 115.040 -1.640 1
1 690 . 19 1 1 A 59 59 ARG H H 56 7.510 7.333 0.177 1
1 691 . 19 1 1 A 59 59 ARG HA H 56 4.560 4.543 0.017 1
1 698 . 19 1 1 A 59 59 ARG C C 56 177.500 175.061 2.439 1
1 699 . 19 1 1 A 59 59 ARG CA C 56 55.400 55.903 -0.503 1
1 700 . 19 1 1 A 59 59 ARG CB C 56 30.400 29.803 0.597 1
1 703 . 19 1 1 A 59 59 ARG N N 56 118.400 117.899 0.501 1
1 704 . 19 1 1 A 60 60 GLY H H 57 8.550 7.986 0.564 1
1 705 . 19 1 1 A 60 60 GLY HA2 H 57 4.020 4.304 -0.284 1
1 706 . 19 1 1 A 60 60 GLY HA3 H 57 4.020 4.330 -0.310 1
1 707 . 19 1 1 A 60 60 GLY C C 57 171.200 171.800 -0.600 1
1 708 . 19 1 1 A 60 60 GLY CA C 57 45.400 44.174 1.226 1
1 709 . 19 1 1 A 60 60 GLY N N 57 108.600 108.322 0.278 1
1 710 . 19 1 1 A 61 61 LEU H H 58 7.740 9.146 -1.406 1
1 711 . 19 1 1 A 61 61 LEU HA H 58 4.640 5.007 -0.367 1
1 721 . 19 1 1 A 61 61 LEU C C 58 177.000 176.538 0.462 1
1 722 . 19 1 1 A 61 61 LEU CA C 58 54.200 53.919 0.281 1
1 723 . 19 1 1 A 61 61 LEU CB C 58 43.700 43.858 -0.158 1
1 727 . 19 1 1 A 61 61 LEU N N 58 119.100 122.412 -3.312 1
1 728 . 19 1 1 A 62 62 ILE H H 59 8.780 8.558 0.222 1
1 729 . 19 1 1 A 62 62 ILE HA H 59 4.660 4.513 0.147 1
1 739 . 19 1 1 A 62 62 ILE C C 59 175.500 175.329 0.171 1
1 740 . 19 1 1 A 62 62 ILE CA C 59 60.600 61.641 -1.041 1
1 741 . 19 1 1 A 62 62 ILE CB C 59 38.700 37.350 1.350 1
1 745 . 19 1 1 A 62 62 ILE N N 59 126.500 124.857 1.643 1
1 746 . 19 1 1 A 63 63 ALA H H 60 9.110 9.393 -0.283 1
1 747 . 19 1 1 A 63 63 ALA HA H 60 4.590 5.163 -0.573 1
1 751 . 19 1 1 A 63 63 ALA C C 60 175.000 174.744 0.256 1
1 752 . 19 1 1 A 63 63 ALA CA C 60 51.300 50.406 0.894 1
1 753 . 19 1 1 A 63 63 ALA CB C 60 23.100 22.990 0.110 1
1 754 . 19 1 1 A 63 63 ALA N N 60 129.300 129.544 -0.244 1
1 755 . 19 1 1 A 64 64 GLU H H 61 8.460 8.740 -0.280 1
1 756 . 19 1 1 A 64 64 GLU HA H 61 5.070 5.054 0.016 1
1 761 . 19 1 1 A 64 64 GLU C C 61 176.000 175.410 0.590 1
1 762 . 19 1 1 A 64 64 GLU CA C 61 55.100 56.060 -0.960 1
1 763 . 19 1 1 A 64 64 GLU CB C 61 31.200 30.483 0.717 1
1 765 . 19 1 1 A 64 64 GLU N N 61 121.500 122.151 -0.651 1
1 766 . 19 1 1 A 65 65 HIS H H 62 9.310 9.672 -0.362 1
1 767 . 19 1 1 A 65 65 HIS HA H 62 4.740 4.907 -0.167 1
1 772 . 19 1 1 A 65 65 HIS CA C 62 56.400 55.847 0.553 1
1 773 . 19 1 1 A 65 65 HIS CB C 62 32.600 32.938 -0.338 1
1 776 . 19 1 1 A 65 65 HIS N N 62 123.500 127.057 -3.557 1
1 777 . 19 1 1 A 66 66 GLN HA H 63 3.870 3.783 0.087 1
1 784 . 19 1 1 A 66 66 GLN C C 63 176.000 175.025 0.975 1
1 785 . 19 1 1 A 66 66 GLN CA C 63 56.600 56.673 -0.073 1
1 786 . 19 1 1 A 66 66 GLN CB C 63 26.800 27.612 -0.812 1
1 790 . 19 1 1 A 67 67 GLY H H 64 8.970 8.977 -0.007 1
1 791 . 19 1 1 A 67 67 GLY HA2 H 64 3.680 3.850 -0.170 1
1 792 . 19 1 1 A 67 67 GLY HA3 H 64 4.140 3.851 0.289 1
1 793 . 19 1 1 A 67 67 GLY C C 64 173.800 173.752 0.048 1
1 794 . 19 1 1 A 67 67 GLY CA C 64 45.600 45.360 0.240 1
1 795 . 19 1 1 A 67 67 GLY N N 64 104.200 104.891 -0.691 1
1 796 . 19 1 1 A 68 68 GLU H H 65 7.850 8.022 -0.172 1
1 797 . 19 1 1 A 68 68 GLU HA H 65 4.810 4.733 0.077 1
1 802 . 19 1 1 A 68 68 GLU C C 65 174.400 175.711 -1.311 1
1 803 . 19 1 1 A 68 68 GLU CA C 65 54.100 54.792 -0.692 1
1 804 . 19 1 1 A 68 68 GLU CB C 65 34.000 32.034 1.966 1
1 806 . 19 1 1 A 68 68 GLU N N 65 118.800 119.959 -1.159 1
1 807 . 19 1 1 A 69 69 LEU H H 66 8.030 8.699 -0.669 1
1 808 . 19 1 1 A 69 69 LEU HA H 66 4.920 4.749 0.171 1
1 818 . 19 1 1 A 69 69 LEU C C 66 177.100 175.447 1.653 1
1 819 . 19 1 1 A 69 69 LEU CA C 66 54.300 53.544 0.756 1
1 820 . 19 1 1 A 69 69 LEU CB C 66 44.500 42.200 2.300 1
1 824 . 19 1 1 A 69 69 LEU N N 66 119.000 123.640 -4.640 1
1 825 . 19 1 1 A 70 70 TRP H H 67 8.980 9.268 -0.288 1
1 826 . 19 1 1 A 70 70 TRP HA H 67 5.140 5.377 -0.237 1
1 835 . 19 1 1 A 70 70 TRP C C 67 174.400 174.902 -0.502 1
1 836 . 19 1 1 A 70 70 TRP CA C 67 55.100 55.888 -0.788 1
1 837 . 19 1 1 A 70 70 TRP CB C 67 31.800 31.806 -0.006 1
1 843 . 19 1 1 A 70 70 TRP N N 67 122.200 125.589 -3.389 1
1 845 . 19 1 1 A 71 71 VAL H H 68 9.490 9.176 0.314 1
1 846 . 19 1 1 A 71 71 VAL HA H 68 4.990 4.930 0.060 1
1 854 . 19 1 1 A 71 71 VAL C C 68 173.000 173.568 -0.568 1
1 855 . 19 1 1 A 71 71 VAL CA C 68 58.500 59.646 -1.146 1
1 856 . 19 1 1 A 71 71 VAL CB C 68 34.300 33.912 0.388 1
1 859 . 19 1 1 A 71 71 VAL N N 68 120.900 122.291 -1.391 1
1 860 . 19 1 1 A 72 72 ALA H H 69 8.550 9.395 -0.845 1
1 861 . 19 1 1 A 72 72 ALA HA H 69 5.280 5.104 0.176 1
1 865 . 19 1 1 A 72 72 ALA C C 69 178.000 175.723 2.277 1
1 866 . 19 1 1 A 72 72 ALA CA C 69 49.200 50.225 -1.025 1
1 867 . 19 1 1 A 72 72 ALA CB C 69 19.700 20.387 -0.687 1
1 868 . 19 1 1 A 72 72 ALA N N 69 130.000 131.541 -1.541 1
1 869 . 19 1 1 A 73 73 SER H H 70 9.470 9.295 0.175 1
1 870 . 19 1 1 A 73 73 SER HA H 70 4.540 4.801 -0.261 1
1 873 . 19 1 1 A 73 73 SER CA C 70 55.700 56.270 -0.570 1
1 874 . 19 1 1 A 73 73 SER CB C 70 64.400 63.640 0.760 1
1 875 . 19 1 1 A 73 73 SER N N 70 118.100 122.678 -4.578 1
1 876 . 19 1 1 A 74 74 PRO HA H 71 4.540 4.472 0.068 1
1 883 . 19 1 1 A 74 74 PRO C C 71 176.700 177.599 -0.899 1
1 884 . 19 1 1 A 74 74 PRO CA C 71 64.000 63.806 0.194 1
1 885 . 19 1 1 A 74 74 PRO CB C 71 32.300 31.779 0.521 1
1 888 . 19 1 1 A 75 75 LEU H H 72 7.850 8.214 -0.364 1
1 889 . 19 1 1 A 75 75 LEU HA H 72 4.330 4.067 0.263 1
1 899 . 19 1 1 A 75 75 LEU CA C 72 56.200 57.814 -1.614 1
1 900 . 19 1 1 A 75 75 LEU CB C 72 38.500 41.680 -3.180 1
1 904 . 19 1 1 A 75 75 LEU N N 72 119.300 118.542 0.758 1
1 905 . 19 1 1 A 76 76 LYS HA H 73 4.470 4.441 0.029 1
1 914 . 19 1 1 A 76 76 LYS C C 73 176.600 175.634 0.966 1
1 915 . 19 1 1 A 76 76 LYS CA C 73 54.600 54.749 -0.149 1
1 916 . 19 1 1 A 76 76 LYS CB C 73 31.700 32.728 -1.028 1
1 920 . 19 1 1 A 77 77 LYS H H 74 7.240 7.693 -0.453 1
1 921 . 19 1 1 A 77 77 LYS HA H 74 4.440 3.751 0.689 1
1 930 . 19 1 1 A 77 77 LYS C C 74 175.500 175.224 0.276 1
1 931 . 19 1 1 A 77 77 LYS CA C 74 57.800 57.292 0.508 1
1 932 . 19 1 1 A 77 77 LYS CB C 74 28.600 29.057 -0.457 1
1 936 . 19 1 1 A 77 77 LYS N N 74 110.900 115.948 -5.048 1
1 937 . 19 1 1 A 78 78 GLN H H 75 8.080 7.538 0.542 1
1 938 . 19 1 1 A 78 78 GLN HA H 75 4.030 4.094 -0.064 1
1 945 . 19 1 1 A 78 78 GLN C C 75 174.500 175.003 -0.503 1
1 946 . 19 1 1 A 78 78 GLN CA C 75 58.400 55.647 2.753 1
1 947 . 19 1 1 A 78 78 GLN CB C 75 27.400 29.291 -1.891 1
1 949 . 19 1 1 A 78 78 GLN N N 75 119.100 117.705 1.395 1
1 951 . 19 1 1 A 79 79 ARG H H 76 9.800 8.448 1.352 1
1 952 . 19 1 1 A 79 79 ARG HA H 76 5.310 5.375 -0.065 1
1 960 . 19 1 1 A 79 79 ARG C C 76 175.800 175.024 0.776 1
1 961 . 19 1 1 A 79 79 ARG CA C 76 55.300 54.755 0.545 1
1 962 . 19 1 1 A 79 79 ARG CB C 76 33.100 32.596 0.504 1
1 965 . 19 1 1 A 79 79 ARG N N 76 122.800 123.099 -0.299 1
1 967 . 19 1 1 A 80 80 PHE H H 77 9.220 9.505 -0.285 1
1 968 . 19 1 1 A 80 80 PHE HA H 77 5.630 5.211 0.419 1
1 976 . 19 1 1 A 80 80 PHE C C 77 175.300 174.357 0.943 1
1 977 . 19 1 1 A 80 80 PHE CA C 77 55.800 56.187 -0.387 1
1 978 . 19 1 1 A 80 80 PHE CB C 77 41.300 42.520 -1.220 1
1 984 . 19 1 1 A 80 80 PHE N N 77 119.400 122.409 -3.009 1
1 985 . 19 1 1 A 81 81 ARG H H 78 9.870 8.927 0.943 1
1 986 . 19 1 1 A 81 81 ARG HA H 78 3.490 3.737 -0.247 1
1 996 . 19 1 1 A 81 81 ARG C C 78 177.400 176.063 1.337 1
1 997 . 19 1 1 A 81 81 ARG CA C 78 58.100 55.787 2.313 1
1 998 . 19 1 1 A 81 81 ARG CB C 78 30.500 29.445 1.055 1
1 1001 . 19 1 1 A 81 81 ARG N N 78 130.100 124.516 5.584 1
1 1004 . 19 1 1 A 82 82 LEU H H 79 7.860 8.214 -0.354 1
1 1005 . 19 1 1 A 82 82 LEU HA H 79 3.790 3.982 -0.192 1
1 1015 . 19 1 1 A 82 82 LEU C C 79 177.500 178.531 -1.031 1
1 1016 . 19 1 1 A 82 82 LEU CA C 79 57.600 57.377 0.223 1
1 1017 . 19 1 1 A 82 82 LEU CB C 79 39.600 41.093 -1.493 1
1 1021 . 19 1 1 A 82 82 LEU N N 79 125.300 126.939 -1.639 1
1 1022 . 19 1 1 A 83 83 SER H H 80 8.000 7.799 0.201 1
1 1023 . 19 1 1 A 83 83 SER HA H 80 4.200 3.170 1.030 1
1 1026 . 19 1 1 A 83 83 SER C C 80 176.600 175.169 1.431 1
1 1027 . 19 1 1 A 83 83 SER CA C 80 60.100 61.074 -0.974 1
1 1028 . 19 1 1 A 83 83 SER CB C 80 62.500 62.791 -0.291 1
1 1029 . 19 1 1 A 83 83 SER N N 80 109.700 113.778 -4.078 1
1 1030 . 19 1 1 A 84 84 ASP H H 81 7.100 7.667 -0.567 1
1 1031 . 19 1 1 A 84 84 ASP HA H 81 4.090 4.249 -0.159 1
1 1034 . 19 1 1 A 84 84 ASP C C 81 175.900 176.574 -0.674 1
1 1035 . 19 1 1 A 84 84 ASP CA C 81 53.500 52.623 0.877 1
1 1036 . 19 1 1 A 84 84 ASP CB C 81 41.900 41.050 0.850 1
1 1037 . 19 1 1 A 84 84 ASP N N 81 117.300 115.646 1.654 1
1 1038 . 19 1 1 A 85 85 GLY H H 82 8.860 8.361 0.499 1
1 1039 . 19 1 1 A 85 85 GLY HA2 H 82 3.590 4.004 -0.414 1
1 1040 . 19 1 1 A 85 85 GLY HA3 H 82 4.810 4.023 0.787 1
1 1041 . 19 1 1 A 85 85 GLY C C 82 173.700 174.376 -0.676 1
1 1042 . 19 1 1 A 85 85 GLY CA C 82 45.900 45.629 0.271 1
1 1043 . 19 1 1 A 85 85 GLY N N 82 111.300 109.448 1.852 1
1 1044 . 19 1 1 A 86 86 LEU H H 83 7.430 7.652 -0.222 1
1 1045 . 19 1 1 A 86 86 LEU HA H 83 4.290 4.539 -0.249 1
1 1055 . 19 1 1 A 86 86 LEU C C 83 176.600 176.450 0.150 1
1 1056 . 19 1 1 A 86 86 LEU CA C 83 56.200 55.297 0.903 1
1 1057 . 19 1 1 A 86 86 LEU CB C 83 43.100 42.757 0.343 1
1 1061 . 19 1 1 A 86 86 LEU N N 83 120.800 122.952 -2.152 1
1 1062 . 19 1 1 A 87 87 CYS H H 84 8.080 8.906 -0.826 1
1 1063 . 19 1 1 A 87 87 CYS HA H 84 5.290 4.632 0.658 1
1 1066 . 19 1 1 A 87 87 CYS C C 84 175.300 175.976 -0.676 1
1 1067 . 19 1 1 A 87 87 CYS CA C 84 56.600 59.091 -2.491 1
1 1068 . 19 1 1 A 87 87 CYS CB C 84 27.800 27.651 0.149 1
1 1069 . 19 1 1 A 87 87 CYS N N 84 126.300 125.822 0.478 1
1 1070 . 19 1 1 A 88 88 MET H H 85 8.760 8.968 -0.208 1
1 1071 . 19 1 1 A 88 88 MET HA H 85 3.630 4.257 -0.627 1
1 1079 . 19 1 1 A 88 88 MET C C 85 177.500 177.557 -0.057 1
1 1080 . 19 1 1 A 88 88 MET CA C 85 58.800 58.374 0.426 1
1 1081 . 19 1 1 A 88 88 MET CB C 85 33.800 32.169 1.631 1
1 1084 . 19 1 1 A 88 88 MET N N 85 130.500 125.885 4.615 1
1 1085 . 19 1 1 A 89 89 GLU H H 86 9.160 8.001 1.159 1
1 1086 . 19 1 1 A 89 89 GLU HA H 86 3.770 4.193 -0.423 1
1 1091 . 19 1 1 A 89 89 GLU C C 86 177.500 177.275 0.225 1
1 1092 . 19 1 1 A 89 89 GLU CA C 86 60.900 57.340 3.560 1
1 1093 . 19 1 1 A 89 89 GLU CB C 86 29.300 30.181 -0.881 1
1 1095 . 19 1 1 A 89 89 GLU N N 86 119.200 118.372 0.828 1
1 1096 . 19 1 1 A 90 90 ASP H H 87 7.080 7.740 -0.660 1
1 1097 . 19 1 1 A 90 90 ASP HA H 87 4.590 4.746 -0.156 1
1 1100 . 19 1 1 A 90 90 ASP CA C 87 54.700 53.873 0.827 1
1 1101 . 19 1 1 A 90 90 ASP CB C 87 41.800 41.301 0.499 1
1 1102 . 19 1 1 A 90 90 ASP N N 87 115.800 117.197 -1.397 1
1 1103 . 19 1 1 A 91 91 GLU H H 88 9.340 8.165 1.175 1
1 1104 . 19 1 1 A 91 91 GLU HA H 88 4.290 4.177 0.113 1
1 1109 . 19 1 1 A 91 91 GLU C C 88 178.900 178.292 0.608 1
1 1110 . 19 1 1 A 91 91 GLU CA C 88 59.000 59.460 -0.460 1
1 1111 . 19 1 1 A 91 91 GLU CB C 88 29.100 29.168 -0.068 1
1 1113 . 19 1 1 A 91 91 GLU N N 88 127.400 119.956 7.444 1
1 1114 . 19 1 1 A 92 92 GLN H H 89 8.920 8.480 0.440 1
1 1115 . 19 1 1 A 92 92 GLN HA H 89 4.170 3.981 0.189 1
1 1122 . 19 1 1 A 92 92 GLN C C 89 176.600 177.420 -0.820 1
1 1123 . 19 1 1 A 92 92 GLN CA C 89 57.800 58.017 -0.217 1
1 1124 . 19 1 1 A 92 92 GLN CB C 89 28.400 27.659 0.741 1
1 1127 . 19 1 1 A 92 92 GLN N N 89 120.400 118.485 1.915 1
1 1129 . 19 1 1 A 93 93 PHE H H 90 8.150 8.361 -0.211 1
1 1130 . 19 1 1 A 93 93 PHE HA H 90 4.430 4.619 -0.189 1
1 1138 . 19 1 1 A 93 93 PHE C C 90 172.600 176.432 -3.832 1
1 1139 . 19 1 1 A 93 93 PHE CA C 90 57.800 59.179 -1.379 1
1 1140 . 19 1 1 A 93 93 PHE CB C 90 39.300 40.261 -0.961 1
1 1146 . 19 1 1 A 93 93 PHE N N 90 119.700 117.318 2.382 1
1 1147 . 19 1 1 A 94 94 SER H H 91 7.020 8.002 -0.982 1
1 1148 . 19 1 1 A 94 94 SER HA H 91 4.870 4.975 -0.105 1
1 1152 . 19 1 1 A 94 94 SER C C 91 174.100 173.940 0.160 1
1 1153 . 19 1 1 A 94 94 SER CA C 91 60.900 60.904 -0.004 1
1 1154 . 19 1 1 A 94 94 SER CB C 91 63.600 62.059 1.541 1
1 1155 . 19 1 1 A 94 94 SER N N 91 112.700 112.686 0.014 1
1 1156 . 19 1 1 A 95 95 VAL H H 92 9.120 7.931 1.189 1
1 1157 . 19 1 1 A 95 95 VAL HA H 92 4.810 5.044 -0.234 1
1 1165 . 19 1 1 A 95 95 VAL C C 92 175.700 174.412 1.288 1
1 1166 . 19 1 1 A 95 95 VAL CA C 92 59.200 59.682 -0.482 1
1 1167 . 19 1 1 A 95 95 VAL CB C 92 35.700 34.811 0.889 1
1 1170 . 19 1 1 A 95 95 VAL N N 92 116.900 117.604 -0.704 1
1 1171 . 19 1 1 A 96 96 LYS H H 93 8.390 8.282 0.108 1
1 1172 . 19 1 1 A 96 96 LYS HA H 93 4.010 4.465 -0.455 1
1 1181 . 19 1 1 A 96 96 LYS C C 93 174.800 175.671 -0.871 1
1 1182 . 19 1 1 A 96 96 LYS CA C 93 57.700 55.351 2.349 1
1 1183 . 19 1 1 A 96 96 LYS CB C 93 34.000 33.371 0.629 1
1 1187 . 19 1 1 A 96 96 LYS N N 93 120.300 122.822 -2.522 1
1 1188 . 19 1 1 A 97 97 HIS H H 94 8.030 8.839 -0.809 1
1 1189 . 19 1 1 A 97 97 HIS HA H 94 5.060 4.833 0.227 1
1 1194 . 19 1 1 A 97 97 HIS C C 94 172.600 172.925 -0.325 1
1 1195 . 19 1 1 A 97 97 HIS CA C 94 54.700 55.693 -0.993 1
1 1196 . 19 1 1 A 97 97 HIS CB C 94 31.400 31.241 0.159 1
1 1199 . 19 1 1 A 97 97 HIS N N 94 121.000 127.236 -6.236 1
1 1200 . 19 1 1 A 98 98 TYR H H 95 7.610 8.777 -1.167 1
1 1201 . 19 1 1 A 98 98 TYR HA H 95 4.410 4.790 -0.380 1
1 1208 . 19 1 1 A 98 98 TYR C C 95 173.600 175.112 -1.512 1
1 1209 . 19 1 1 A 98 98 TYR CA C 95 56.400 56.545 -0.145 1
1 1210 . 19 1 1 A 98 98 TYR CB C 95 40.900 41.234 -0.334 1
1 1215 . 19 1 1 A 98 98 TYR N N 95 121.800 125.693 -3.893 1
1 1216 . 19 1 1 A 99 99 GLU H H 96 8.480 8.437 0.043 1
1 1217 . 19 1 1 A 99 99 GLU HA H 96 4.420 4.641 -0.221 1
1 1222 . 19 1 1 A 99 99 GLU C C 96 174.300 175.889 -1.589 1
1 1223 . 19 1 1 A 99 99 GLU CA C 96 56.600 56.396 0.204 1
1 1224 . 19 1 1 A 99 99 GLU CB C 96 30.700 30.484 0.216 1
1 1226 . 19 1 1 A 99 99 GLU N N 96 122.200 124.144 -1.944 1
1 1227 . 19 1 1 A 100 100 ALA H H 97 8.420 8.911 -0.491 1
1 1228 . 19 1 1 A 100 100 ALA HA H 97 5.940 5.886 0.054 1
1 1232 . 19 1 1 A 100 100 ALA C C 97 176.100 175.939 0.161 1
1 1233 . 19 1 1 A 100 100 ALA CA C 97 50.400 50.084 0.316 1
1 1234 . 19 1 1 A 100 100 ALA CB C 97 23.700 22.712 0.988 1
1 1235 . 19 1 1 A 100 100 ALA N N 97 124.100 129.206 -5.106 1
1 1236 . 19 1 1 A 101 101 ARG H H 98 9.000 8.989 0.011 1
1 1237 . 19 1 1 A 101 101 ARG HA H 98 4.640 4.707 -0.067 1
1 1245 . 19 1 1 A 101 101 ARG C C 98 172.100 174.022 -1.922 1
1 1246 . 19 1 1 A 101 101 ARG CA C 98 54.200 54.992 -0.792 1
1 1247 . 19 1 1 A 101 101 ARG CB C 98 32.800 33.772 -0.972 1
1 1250 . 19 1 1 A 101 101 ARG N N 98 118.400 122.729 -4.329 1
1 1252 . 19 1 1 A 102 102 VAL H H 99 8.330 8.888 -0.558 1
1 1253 . 19 1 1 A 102 102 VAL HA H 99 4.720 4.726 -0.006 1
1 1261 . 19 1 1 A 102 102 VAL C C 99 175.200 174.274 0.926 1
1 1262 . 19 1 1 A 102 102 VAL CA C 99 61.100 61.682 -0.582 1
1 1263 . 19 1 1 A 102 102 VAL CB C 99 32.700 31.957 0.743 1
1 1266 . 19 1 1 A 102 102 VAL N N 99 119.500 126.886 -7.386 1
1 1267 . 19 1 1 A 103 103 LYS H H 100 9.070 9.125 -0.055 1
1 1268 . 19 1 1 A 103 103 LYS HA H 100 4.460 4.464 -0.004 1
1 1277 . 19 1 1 A 103 103 LYS C C 100 175.700 175.968 -0.268 1
1 1278 . 19 1 1 A 103 103 LYS CA C 100 54.300 55.131 -0.831 1
1 1279 . 19 1 1 A 103 103 LYS CB C 100 34.800 33.484 1.316 1
1 1283 . 19 1 1 A 103 103 LYS N N 100 130.200 128.222 1.978 1
1 1284 . 19 1 1 A 104 104 ASP H H 101 9.560 9.197 0.363 1
1 1285 . 19 1 1 A 104 104 ASP HA H 101 4.210 4.249 -0.039 1
1 1288 . 19 1 1 A 104 104 ASP C C 101 175.800 175.293 0.507 1
1 1289 . 19 1 1 A 104 104 ASP CA C 101 55.500 55.009 0.491 1
1 1290 . 19 1 1 A 104 104 ASP CB C 101 39.700 39.730 -0.030 1
1 1291 . 19 1 1 A 104 104 ASP N N 101 130.600 126.955 3.645 1
1 1292 . 19 1 1 A 105 105 GLY H H 102 8.260 8.343 -0.083 1
1 1293 . 19 1 1 A 105 105 GLY HA2 H 102 3.450 3.844 -0.394 1
1 1294 . 19 1 1 A 105 105 GLY HA3 H 102 4.170 3.846 0.324 1
1 1295 . 19 1 1 A 105 105 GLY C C 102 173.300 173.783 -0.483 1
1 1296 . 19 1 1 A 105 105 GLY CA C 102 45.300 45.121 0.179 1
1 1297 . 19 1 1 A 105 105 GLY N N 102 101.900 104.767 -2.867 1
1 1298 . 19 1 1 A 106 106 VAL H H 103 7.900 8.093 -0.193 1
1 1299 . 19 1 1 A 106 106 VAL HA H 103 4.270 4.266 0.004 1
1 1307 . 19 1 1 A 106 106 VAL C C 103 175.100 174.883 0.217 1
1 1308 . 19 1 1 A 106 106 VAL CA C 103 62.100 61.506 0.594 1
1 1309 . 19 1 1 A 106 106 VAL CB C 103 34.100 33.384 0.716 1
1 1312 . 19 1 1 A 106 106 VAL N N 103 123.800 122.612 1.188 1
1 1313 . 19 1 1 A 107 107 VAL H H 104 9.290 9.043 0.247 1
1 1314 . 19 1 1 A 107 107 VAL HA H 104 4.220 4.150 0.070 1
1 1322 . 19 1 1 A 107 107 VAL C C 104 174.300 175.542 -1.242 1
1 1323 . 19 1 1 A 107 107 VAL CA C 104 62.700 62.724 -0.024 1
1 1324 . 19 1 1 A 107 107 VAL CB C 104 31.500 31.478 0.022 1
1 1327 . 19 1 1 A 107 107 VAL N N 104 127.300 128.368 -1.068 1
1 1328 . 19 1 1 A 108 108 GLN H H 105 9.410 9.402 0.008 1
1 1329 . 19 1 1 A 108 108 GLN HA H 105 5.720 5.497 0.223 1
1 1336 . 19 1 1 A 108 108 GLN C C 105 174.900 174.865 0.035 1
1 1337 . 19 1 1 A 108 108 GLN CA C 105 53.400 54.539 -1.139 1
1 1338 . 19 1 1 A 108 108 GLN CB C 105 34.600 32.192 2.408 1
1 1341 . 19 1 1 A 108 108 GLN N N 105 126.500 127.280 -0.780 1
1 1343 . 19 1 1 A 109 109 LEU H H 106 8.530 9.104 -0.574 1
1 1344 . 19 1 1 A 109 109 LEU HA H 106 5.760 5.353 0.407 1
1 1354 . 19 1 1 A 109 109 LEU C C 106 176.300 175.168 1.132 1
1 1355 . 19 1 1 A 109 109 LEU CA C 106 52.800 53.445 -0.645 1
1 1356 . 19 1 1 A 109 109 LEU CB C 106 48.900 45.193 3.707 1
1 1360 . 19 1 1 A 109 109 LEU N N 106 118.900 123.092 -4.192 1
1 1361 . 19 1 1 A 110 110 ARG H H 107 8.310 9.149 -0.839 1
1 1362 . 19 1 1 A 110 110 ARG HA H 107 4.230 4.688 -0.458 1
1 1370 . 19 1 1 A 110 110 ARG C C 107 174.800 175.186 -0.386 1
1 1371 . 19 1 1 A 110 110 ARG CA C 107 55.700 53.803 1.897 1
1 1372 . 19 1 1 A 110 110 ARG CB C 107 31.900 31.166 0.734 1
1 1375 . 19 1 1 A 110 110 ARG N N 107 119.900 124.244 -4.344 1
1 1377 . 19 1 1 A 111 111 GLY H H 108 8.390 8.402 -0.012 1
1 1378 . 19 1 1 A 111 111 GLY HA2 H 108 3.880 4.292 -0.412 1
1 1379 . 19 1 1 A 111 111 GLY HA3 H 108 4.130 4.372 -0.242 1
1 1380 . 19 1 1 A 111 111 GLY C C 108 173.500 173.525 -0.025 1
1 1381 . 19 1 1 A 111 111 GLY CA C 108 45.000 45.374 -0.374 1
1 1382 . 19 1 1 A 111 111 GLY N N 108 110.000 112.582 -2.582 1
1 1383 . 19 1 1 A 112 112 GLY H H 109 8.280 8.711 -0.431 1
1 1384 . 19 1 1 A 112 112 GLY HA2 H 109 3.850 4.008 -0.158 1
1 1385 . 19 1 1 A 112 112 GLY HA3 H 109 3.950 4.033 -0.083 1
1 1386 . 19 1 1 A 112 112 GLY C C 109 173.200 173.196 0.004 1
1 1387 . 19 1 1 A 112 112 GLY CA C 109 45.100 45.683 -0.583 1
1 1388 . 19 1 1 A 112 112 GLY N N 109 108.400 107.833 0.567 1
1 10 . 20 1 1 A 5 5 SER H H 2 8.360 8.891 -0.531 1
1 11 . 20 1 1 A 5 5 SER HA H 2 4.400 4.075 0.325 1
1 14 . 20 1 1 A 5 5 SER C C 2 174.100 173.720 0.380 1
1 15 . 20 1 1 A 5 5 SER CA C 2 58.200 58.923 -0.723 1
1 16 . 20 1 1 A 5 5 SER CB C 2 63.700 60.946 2.754 1
1 17 . 20 1 1 A 5 5 SER N N 2 117.000 117.360 -0.360 1
1 18 . 20 1 1 A 6 6 GLN H H 3 8.280 8.542 -0.262 1
1 19 . 20 1 1 A 6 6 GLN HA H 3 4.320 4.513 -0.193 1
1 26 . 20 1 1 A 6 6 GLN C C 3 175.500 174.807 0.693 1
1 27 . 20 1 1 A 6 6 GLN CA C 3 55.400 55.046 0.354 1
1 28 . 20 1 1 A 6 6 GLN CB C 3 30.100 27.831 2.269 1
1 31 . 20 1 1 A 6 6 GLN N N 3 121.800 121.038 0.762 1
1 33 . 20 1 1 A 7 7 TRP H H 4 8.170 8.577 -0.407 1
1 34 . 20 1 1 A 7 7 TRP HA H 4 4.470 5.206 -0.736 1
1 43 . 20 1 1 A 7 7 TRP C C 4 176.200 175.428 0.772 1
1 44 . 20 1 1 A 7 7 TRP CA C 4 57.600 56.744 0.856 1
1 45 . 20 1 1 A 7 7 TRP CB C 4 30.300 30.909 -0.609 1
1 51 . 20 1 1 A 7 7 TRP N N 4 122.300 126.506 -4.206 1
1 53 . 20 1 1 A 8 8 LYS H H 5 9.370 8.925 0.445 1
1 54 . 20 1 1 A 8 8 LYS HA H 5 4.690 4.806 -0.116 1
1 63 . 20 1 1 A 8 8 LYS C C 5 175.600 175.335 0.265 1
1 64 . 20 1 1 A 8 8 LYS CA C 5 54.200 55.128 -0.928 1
1 65 . 20 1 1 A 8 8 LYS CB C 5 34.700 34.273 0.427 1
1 69 . 20 1 1 A 8 8 LYS N N 5 125.100 125.428 -0.328 1
1 70 . 20 1 1 A 9 9 ASP H H 6 8.730 8.988 -0.258 1
1 71 . 20 1 1 A 9 9 ASP HA H 6 4.500 4.688 -0.188 1
1 74 . 20 1 1 A 9 9 ASP C C 6 176.200 175.642 0.558 1
1 75 . 20 1 1 A 9 9 ASP CA C 6 55.400 54.579 0.821 1
1 76 . 20 1 1 A 9 9 ASP CB C 6 40.700 40.355 0.345 1
1 77 . 20 1 1 A 9 9 ASP N N 6 125.400 126.867 -1.467 1
1 78 . 20 1 1 A 10 10 ILE H H 7 9.300 9.281 0.019 1
1 79 . 20 1 1 A 10 10 ILE HA H 7 4.300 3.989 0.311 1
1 89 . 20 1 1 A 10 10 ILE C C 7 175.500 176.232 -0.732 1
1 90 . 20 1 1 A 10 10 ILE CA C 7 60.000 63.785 -3.785 1
1 91 . 20 1 1 A 10 10 ILE CB C 7 37.700 38.134 -0.434 1
1 95 . 20 1 1 A 10 10 ILE N N 7 122.900 126.456 -3.556 1
1 96 . 20 1 1 A 11 11 CYS H H 8 7.510 7.754 -0.244 1
1 97 . 20 1 1 A 11 11 CYS HA H 8 4.880 4.759 0.121 1
1 100 . 20 1 1 A 11 11 CYS C C 8 172.300 173.176 -0.876 1
1 101 . 20 1 1 A 11 11 CYS CA C 8 55.700 58.117 -2.417 1
1 102 . 20 1 1 A 11 11 CYS CB C 8 28.800 32.212 -3.412 1
1 103 . 20 1 1 A 11 11 CYS N N 8 111.400 116.663 -5.263 1
1 104 . 20 1 1 A 12 12 LYS H H 9 8.920 8.615 0.305 1
1 105 . 20 1 1 A 12 12 LYS HA H 9 4.880 4.524 0.356 1
1 114 . 20 1 1 A 12 12 LYS C C 9 179.400 177.924 1.476 1
1 115 . 20 1 1 A 12 12 LYS CA C 9 55.700 56.097 -0.397 1
1 116 . 20 1 1 A 12 12 LYS CB C 9 32.100 32.803 -0.703 1
1 120 . 20 1 1 A 12 12 LYS N N 9 120.100 121.472 -1.372 1
1 121 . 20 1 1 A 13 13 ILE H H 10 8.640 9.244 -0.604 1
1 122 . 20 1 1 A 13 13 ILE HA H 10 3.990 4.012 -0.022 1
1 132 . 20 1 1 A 13 13 ILE C C 10 174.900 176.853 -1.953 1
1 133 . 20 1 1 A 13 13 ILE CA C 10 61.000 63.325 -2.325 1
1 134 . 20 1 1 A 13 13 ILE CB C 10 37.800 38.203 -0.403 1
1 138 . 20 1 1 A 13 13 ILE N N 10 123.700 125.603 -1.903 1
1 139 . 20 1 1 A 14 14 ASP H H 11 7.600 8.214 -0.614 1
1 140 . 20 1 1 A 14 14 ASP HA H 11 4.350 4.442 -0.092 1
1 143 . 20 1 1 A 14 14 ASP C C 11 176.500 177.633 -1.133 1
1 144 . 20 1 1 A 14 14 ASP CA C 11 55.400 56.316 -0.916 1
1 145 . 20 1 1 A 14 14 ASP CB C 11 40.400 41.201 -0.801 1
1 146 . 20 1 1 A 14 14 ASP N N 11 115.800 121.691 -5.891 1
1 147 . 20 1 1 A 15 15 ASP H H 12 7.600 7.860 -0.260 1
1 148 . 20 1 1 A 15 15 ASP HA H 12 4.490 4.665 -0.175 1
1 151 . 20 1 1 A 15 15 ASP C C 12 175.600 175.631 -0.031 1
1 152 . 20 1 1 A 15 15 ASP CA C 12 55.500 54.931 0.569 1
1 153 . 20 1 1 A 15 15 ASP CB C 12 40.900 41.418 -0.518 1
1 154 . 20 1 1 A 15 15 ASP N N 12 116.800 117.834 -1.034 1
1 155 . 20 1 1 A 16 16 ILE H H 13 7.700 7.733 -0.033 1
1 156 . 20 1 1 A 16 16 ILE HA H 13 4.000 4.563 -0.563 1
1 166 . 20 1 1 A 16 16 ILE C C 13 174.100 175.180 -1.080 1
1 167 . 20 1 1 A 16 16 ILE CA C 13 60.500 60.002 0.498 1
1 168 . 20 1 1 A 16 16 ILE CB C 13 38.200 39.479 -1.279 1
1 172 . 20 1 1 A 16 16 ILE N N 13 120.900 121.027 -0.127 1
1 173 . 20 1 1 A 17 17 LEU H H 14 7.970 8.627 -0.657 1
1 174 . 20 1 1 A 17 17 LEU HA H 14 4.370 4.750 -0.380 1
1 184 . 20 1 1 A 17 17 LEU CA C 14 53.800 52.661 1.139 1
1 185 . 20 1 1 A 17 17 LEU CB C 14 40.500 41.761 -1.261 1
1 189 . 20 1 1 A 17 17 LEU N N 14 127.800 127.394 0.406 1
1 190 . 20 1 1 A 18 18 PRO HA H 15 4.080 4.414 -0.334 1
1 197 . 20 1 1 A 18 18 PRO C C 15 175.700 176.965 -1.265 1
1 198 . 20 1 1 A 18 18 PRO CA C 15 64.300 63.863 0.437 1
1 199 . 20 1 1 A 18 18 PRO CB C 15 31.600 31.761 -0.161 1
1 202 . 20 1 1 A 19 19 GLU H H 16 8.930 8.582 0.348 1
1 203 . 20 1 1 A 19 19 GLU HA H 16 3.660 4.202 -0.542 1
1 208 . 20 1 1 A 19 19 GLU C C 16 175.500 175.514 -0.014 1
1 209 . 20 1 1 A 19 19 GLU CA C 16 58.300 57.244 1.056 1
1 210 . 20 1 1 A 19 19 GLU CB C 16 27.300 27.988 -0.688 1
1 212 . 20 1 1 A 19 19 GLU N N 16 113.700 116.959 -3.259 1
1 213 . 20 1 1 A 20 20 THR H H 17 7.790 7.392 0.398 1
1 214 . 20 1 1 A 20 20 THR HA H 17 5.080 5.108 -0.028 1
1 220 . 20 1 1 A 20 20 THR C C 17 172.100 173.516 -1.416 1
1 221 . 20 1 1 A 20 20 THR CA C 17 60.700 59.990 0.710 1
1 222 . 20 1 1 A 20 20 THR CB C 17 73.100 72.681 0.419 1
1 224 . 20 1 1 A 20 20 THR N N 17 110.000 108.741 1.259 1
1 225 . 20 1 1 A 21 21 GLY H H 18 8.080 8.592 -0.512 1
1 226 . 20 1 1 A 21 21 GLY HA2 H 18 3.070 4.264 -1.194 1
1 227 . 20 1 1 A 21 21 GLY HA3 H 18 5.270 4.294 0.976 1
1 228 . 20 1 1 A 21 21 GLY C C 18 173.400 172.196 1.204 1
1 229 . 20 1 1 A 21 21 GLY CA C 18 44.600 44.460 0.140 1
1 230 . 20 1 1 A 21 21 GLY N N 18 103.700 108.843 -5.143 1
1 231 . 20 1 1 A 22 22 VAL H H 19 8.520 8.994 -0.474 1
1 232 . 20 1 1 A 22 22 VAL HA H 19 4.570 5.001 -0.431 1
1 240 . 20 1 1 A 22 22 VAL C C 19 172.900 174.030 -1.130 1
1 241 . 20 1 1 A 22 22 VAL CA C 19 58.900 59.106 -0.206 1
1 242 . 20 1 1 A 22 22 VAL CB C 19 35.900 35.583 0.317 1
1 245 . 20 1 1 A 22 22 VAL N N 19 112.900 118.202 -5.302 1
1 246 . 20 1 1 A 23 23 CYS H H 20 8.290 8.992 -0.702 1
1 247 . 20 1 1 A 23 23 CYS HA H 20 5.250 5.424 -0.174 1
1 250 . 20 1 1 A 23 23 CYS C C 20 173.500 173.610 -0.110 1
1 251 . 20 1 1 A 23 23 CYS CA C 20 56.300 57.215 -0.915 1
1 252 . 20 1 1 A 23 23 CYS CB C 20 27.600 29.973 -2.373 1
1 253 . 20 1 1 A 23 23 CYS N N 20 120.700 118.743 1.957 1
1 254 . 20 1 1 A 24 24 ALA H H 21 9.590 9.395 0.195 1
1 255 . 20 1 1 A 24 24 ALA HA H 21 4.580 5.133 -0.553 1
1 259 . 20 1 1 A 24 24 ALA C C 21 174.400 175.586 -1.186 1
1 260 . 20 1 1 A 24 24 ALA CA C 21 50.200 50.381 -0.181 1
1 261 . 20 1 1 A 24 24 ALA CB C 21 23.400 23.508 -0.108 1
1 262 . 20 1 1 A 24 24 ALA N N 21 132.500 124.573 7.927 1
1 263 . 20 1 1 A 25 25 LEU H H 22 8.100 8.655 -0.555 1
1 264 . 20 1 1 A 25 25 LEU HA H 22 4.860 5.176 -0.316 1
1 274 . 20 1 1 A 25 25 LEU C C 22 175.800 174.693 1.107 1
1 275 . 20 1 1 A 25 25 LEU CA C 22 53.800 53.425 0.375 1
1 276 . 20 1 1 A 25 25 LEU CB C 22 43.600 43.338 0.262 1
1 280 . 20 1 1 A 25 25 LEU N N 22 120.700 118.658 2.042 1
1 281 . 20 1 1 A 26 26 LEU H H 23 8.660 8.586 0.074 1
1 282 . 20 1 1 A 26 26 LEU HA H 23 4.410 4.625 -0.215 1
1 292 . 20 1 1 A 26 26 LEU C C 23 176.600 176.627 -0.027 1
1 293 . 20 1 1 A 26 26 LEU CA C 23 53.100 53.030 0.070 1
1 294 . 20 1 1 A 26 26 LEU CB C 23 43.400 43.555 -0.155 1
1 298 . 20 1 1 A 26 26 LEU N N 23 125.800 126.185 -0.385 1
1 299 . 20 1 1 A 27 27 GLY H H 24 8.910 8.918 -0.008 1
1 300 . 20 1 1 A 27 27 GLY HA2 H 24 3.560 3.822 -0.262 1
1 301 . 20 1 1 A 27 27 GLY HA3 H 24 4.000 3.823 0.177 1
1 302 . 20 1 1 A 27 27 GLY C C 24 173.800 174.296 -0.496 1
1 303 . 20 1 1 A 27 27 GLY CA C 24 47.300 47.293 0.007 1
1 304 . 20 1 1 A 27 27 GLY N N 24 118.300 116.505 1.795 1
1 305 . 20 1 1 A 28 28 ASP H H 25 8.800 8.219 0.581 1
1 306 . 20 1 1 A 28 28 ASP HA H 25 4.690 4.751 -0.061 1
1 309 . 20 1 1 A 28 28 ASP C C 25 176.100 175.330 0.770 1
1 310 . 20 1 1 A 28 28 ASP CA C 25 53.900 53.512 0.388 1
1 311 . 20 1 1 A 28 28 ASP CB C 25 41.300 42.268 -0.968 1
1 312 . 20 1 1 A 28 28 ASP N N 25 126.600 124.872 1.728 1
1 313 . 20 1 1 A 29 29 GLU H H 26 8.100 7.475 0.625 1
1 314 . 20 1 1 A 29 29 GLU HA H 26 4.440 5.020 -0.580 1
1 319 . 20 1 1 A 29 29 GLU C C 26 174.800 175.618 -0.818 1
1 320 . 20 1 1 A 29 29 GLU CA C 26 55.800 54.857 0.943 1
1 321 . 20 1 1 A 29 29 GLU CB C 26 30.600 32.266 -1.666 1
1 323 . 20 1 1 A 29 29 GLU N N 26 120.400 116.906 3.494 1
1 324 . 20 1 1 A 30 30 GLN H H 27 8.640 8.507 0.133 1
1 325 . 20 1 1 A 30 30 GLN HA H 27 4.510 5.082 -0.572 1
1 332 . 20 1 1 A 30 30 GLN C C 27 175.800 175.018 0.782 1
1 333 . 20 1 1 A 30 30 GLN CA C 27 55.700 55.754 -0.054 1
1 334 . 20 1 1 A 30 30 GLN CB C 27 29.300 29.859 -0.559 1
1 336 . 20 1 1 A 30 30 GLN N N 27 121.300 121.029 0.271 1
1 338 . 20 1 1 A 31 31 VAL H H 28 9.280 9.057 0.223 1
1 339 . 20 1 1 A 31 31 VAL HA H 28 4.040 4.571 -0.531 1
1 347 . 20 1 1 A 31 31 VAL C C 28 172.900 174.351 -1.451 1
1 348 . 20 1 1 A 31 31 VAL CA C 28 61.900 60.592 1.308 1
1 349 . 20 1 1 A 31 31 VAL CB C 28 34.800 34.276 0.524 1
1 352 . 20 1 1 A 31 31 VAL N N 28 128.600 124.025 4.575 1
1 353 . 20 1 1 A 32 32 ALA H H 29 9.440 9.266 0.174 1
1 354 . 20 1 1 A 32 32 ALA HA H 29 4.680 4.959 -0.279 1
1 358 . 20 1 1 A 32 32 ALA C C 29 175.200 175.788 -0.588 1
1 359 . 20 1 1 A 32 32 ALA CA C 29 50.500 50.688 -0.188 1
1 360 . 20 1 1 A 32 32 ALA CB C 29 20.200 20.061 0.139 1
1 361 . 20 1 1 A 32 32 ALA N N 29 130.400 129.146 1.254 1
1 362 . 20 1 1 A 33 33 ILE H H 30 8.590 9.022 -0.432 1
1 363 . 20 1 1 A 33 33 ILE HA H 30 4.680 4.667 0.013 1
1 373 . 20 1 1 A 33 33 ILE C C 30 174.800 174.729 0.071 1
1 374 . 20 1 1 A 33 33 ILE CA C 30 59.900 60.024 -0.124 1
1 375 . 20 1 1 A 33 33 ILE CB C 30 39.300 38.874 0.426 1
1 379 . 20 1 1 A 33 33 ILE N N 30 120.600 124.173 -3.573 1
1 380 . 20 1 1 A 34 34 PHE H H 31 9.430 9.346 0.084 1
1 381 . 20 1 1 A 34 34 PHE HA H 31 5.070 5.229 -0.159 1
1 386 . 20 1 1 A 34 34 PHE C C 31 174.800 174.607 0.193 1
1 387 . 20 1 1 A 34 34 PHE CA C 31 57.200 57.137 0.063 1
1 388 . 20 1 1 A 34 34 PHE CB C 31 43.400 41.282 2.118 1
1 391 . 20 1 1 A 34 34 PHE N N 31 121.800 126.767 -4.967 1
1 392 . 20 1 1 A 35 35 ARG H H 32 8.450 9.357 -0.907 1
1 393 . 20 1 1 A 35 35 ARG HA H 32 5.470 5.064 0.406 1
1 403 . 20 1 1 A 35 35 ARG CA C 32 52.000 52.529 -0.529 1
1 404 . 20 1 1 A 35 35 ARG CB C 32 33.200 31.616 1.584 1
1 407 . 20 1 1 A 35 35 ARG N N 32 123.000 124.390 -1.390 1
1 410 . 20 1 1 A 36 36 PRO HA H 33 3.910 4.611 -0.701 1
1 417 . 20 1 1 A 36 36 PRO C C 33 174.300 175.424 -1.124 1
1 418 . 20 1 1 A 36 36 PRO CA C 33 64.600 63.620 0.980 1
1 419 . 20 1 1 A 36 36 PRO CB C 33 32.800 32.751 0.049 1
1 422 . 20 1 1 A 37 37 TYR H H 34 9.000 7.769 1.231 1
1 423 . 20 1 1 A 37 37 TYR HA H 34 5.250 4.859 0.391 1
1 430 . 20 1 1 A 37 37 TYR C C 34 175.000 176.085 -1.085 1
1 431 . 20 1 1 A 37 37 TYR CA C 34 54.200 56.708 -2.508 1
1 432 . 20 1 1 A 37 37 TYR CB C 34 41.000 41.789 -0.789 1
1 437 . 20 1 1 A 37 37 TYR N N 34 115.500 119.860 -4.360 1
1 438 . 20 1 1 A 38 38 HIS H H 35 8.700 8.965 -0.265 1
1 439 . 20 1 1 A 38 38 HIS HA H 35 4.490 4.646 -0.156 1
1 444 . 20 1 1 A 38 38 HIS C C 35 175.800 175.375 0.425 1
1 445 . 20 1 1 A 38 38 HIS CA C 35 56.400 58.476 -2.076 1
1 446 . 20 1 1 A 38 38 HIS CB C 35 28.600 29.662 -1.062 1
1 449 . 20 1 1 A 38 38 HIS N N 35 119.000 121.306 -2.306 1
1 450 . 20 1 1 A 39 39 SER H H 36 7.890 8.007 -0.117 1
1 451 . 20 1 1 A 39 39 SER HA H 36 4.770 4.587 0.183 1
1 454 . 20 1 1 A 39 39 SER C C 36 173.800 174.672 -0.872 1
1 455 . 20 1 1 A 39 39 SER CA C 36 57.000 56.776 0.224 1
1 456 . 20 1 1 A 39 39 SER CB C 36 64.700 63.580 1.120 1
1 457 . 20 1 1 A 39 39 SER N N 36 115.500 112.461 3.039 1
1 458 . 20 1 1 A 40 40 ASP H H 37 8.540 8.474 0.066 1
1 459 . 20 1 1 A 40 40 ASP HA H 37 4.540 4.564 -0.024 1
1 462 . 20 1 1 A 40 40 ASP C C 37 174.700 176.906 -2.206 1
1 463 . 20 1 1 A 40 40 ASP CA C 37 53.800 55.955 -2.155 1
1 464 . 20 1 1 A 40 40 ASP CB C 37 39.600 41.395 -1.795 1
1 465 . 20 1 1 A 40 40 ASP N N 37 119.400 118.140 1.260 1
1 466 . 20 1 1 A 41 41 GLN H H 38 7.490 7.833 -0.343 1
1 467 . 20 1 1 A 41 41 GLN HA H 38 4.140 4.166 -0.026 1
1 474 . 20 1 1 A 41 41 GLN C C 38 175.500 175.881 -0.381 1
1 475 . 20 1 1 A 41 41 GLN CA C 38 57.100 56.463 0.637 1
1 476 . 20 1 1 A 41 41 GLN CB C 38 29.400 29.010 0.390 1
1 479 . 20 1 1 A 41 41 GLN N N 38 118.700 117.847 0.853 1
1 481 . 20 1 1 A 42 42 VAL H H 39 7.800 8.609 -0.809 1
1 482 . 20 1 1 A 42 42 VAL HA H 39 5.600 5.131 0.469 1
1 490 . 20 1 1 A 42 42 VAL C C 39 174.200 174.445 -0.245 1
1 491 . 20 1 1 A 42 42 VAL CA C 39 58.200 59.201 -1.001 1
1 492 . 20 1 1 A 42 42 VAL CB C 39 36.500 36.072 0.428 1
1 495 . 20 1 1 A 42 42 VAL N N 39 116.100 118.736 -2.636 1
1 496 . 20 1 1 A 43 43 PHE H H 40 8.480 9.150 -0.670 1
1 497 . 20 1 1 A 43 43 PHE HA H 40 4.870 5.315 -0.445 1
1 504 . 20 1 1 A 43 43 PHE C C 40 173.900 174.604 -0.704 1
1 505 . 20 1 1 A 43 43 PHE CA C 40 56.800 56.272 0.528 1
1 506 . 20 1 1 A 43 43 PHE CB C 40 45.300 43.769 1.531 1
1 511 . 20 1 1 A 43 43 PHE N N 40 117.200 120.115 -2.915 1
1 512 . 20 1 1 A 44 44 ALA H H 41 9.520 9.001 0.519 1
1 513 . 20 1 1 A 44 44 ALA HA H 41 6.200 5.692 0.508 1
1 517 . 20 1 1 A 44 44 ALA C C 41 176.300 176.019 0.281 1
1 518 . 20 1 1 A 44 44 ALA CA C 41 50.900 50.876 0.024 1
1 519 . 20 1 1 A 44 44 ALA CB C 41 24.100 22.336 1.764 1
1 520 . 20 1 1 A 44 44 ALA N N 41 125.100 122.796 2.304 1
1 521 . 20 1 1 A 45 45 ILE H H 42 8.970 8.870 0.100 1
1 522 . 20 1 1 A 45 45 ILE HA H 42 5.580 5.264 0.316 1
1 532 . 20 1 1 A 45 45 ILE C C 42 174.600 174.702 -0.102 1
1 533 . 20 1 1 A 45 45 ILE CA C 42 59.300 58.804 0.496 1
1 534 . 20 1 1 A 45 45 ILE CB C 42 44.300 41.826 2.474 1
1 538 . 20 1 1 A 45 45 ILE N N 42 117.100 118.207 -1.107 1
1 539 . 20 1 1 A 46 46 SER H H 43 8.460 8.519 -0.059 1
1 540 . 20 1 1 A 46 46 SER HA H 43 4.350 4.610 -0.260 1
1 543 . 20 1 1 A 46 46 SER C C 43 172.100 175.894 -3.794 1
1 544 . 20 1 1 A 46 46 SER CA C 43 59.500 58.844 0.656 1
1 545 . 20 1 1 A 46 46 SER CB C 43 64.900 63.519 1.381 1
1 546 . 20 1 1 A 46 46 SER N N 43 112.400 118.278 -5.878 1
1 547 . 20 1 1 A 47 47 ASN H H 44 7.990 9.256 -1.266 1
1 548 . 20 1 1 A 47 47 ASN HA H 44 4.940 4.759 0.181 1
1 553 . 20 1 1 A 47 47 ASN C C 44 175.800 175.196 0.604 1
1 554 . 20 1 1 A 47 47 ASN CA C 44 53.800 54.214 -0.414 1
1 555 . 20 1 1 A 47 47 ASN CB C 44 40.600 39.329 1.271 1
1 556 . 20 1 1 A 47 47 ASN N N 44 117.800 124.162 -6.362 1
1 558 . 20 1 1 A 48 48 ILE H H 45 8.190 7.639 0.551 1
1 559 . 20 1 1 A 48 48 ILE HA H 45 4.100 4.786 -0.686 1
1 569 . 20 1 1 A 48 48 ILE C C 45 175.200 174.887 0.313 1
1 570 . 20 1 1 A 48 48 ILE CA C 45 59.400 60.567 -1.167 1
1 571 . 20 1 1 A 48 48 ILE CB C 45 36.500 38.425 -1.925 1
1 575 . 20 1 1 A 48 48 ILE N N 45 118.300 121.385 -3.085 1
1 576 . 20 1 1 A 49 49 ASP H H 46 8.720 8.100 0.620 1
1 577 . 20 1 1 A 49 49 ASP HA H 46 4.530 4.845 -0.315 1
1 580 . 20 1 1 A 49 49 ASP CA C 46 51.400 52.029 -0.629 1
1 581 . 20 1 1 A 49 49 ASP CB C 46 42.900 42.211 0.689 1
1 582 . 20 1 1 A 49 49 ASP N N 46 128.600 128.977 -0.377 1
1 583 . 20 1 1 A 50 50 PRO HA H 47 4.500 4.390 0.110 1
1 590 . 20 1 1 A 50 50 PRO C C 47 177.800 178.026 -0.226 1
1 591 . 20 1 1 A 50 50 PRO CA C 47 63.700 64.772 -1.072 1
1 592 . 20 1 1 A 50 50 PRO CB C 47 32.200 31.803 0.397 1
1 595 . 20 1 1 A 51 51 PHE H H 48 9.270 7.821 1.449 1
1 596 . 20 1 1 A 51 51 PHE HA H 48 3.980 4.404 -0.424 1
1 601 . 20 1 1 A 51 51 PHE C C 48 177.100 177.774 -0.674 1
1 602 . 20 1 1 A 51 51 PHE CA C 48 61.400 60.184 1.216 1
1 603 . 20 1 1 A 51 51 PHE CB C 48 37.900 39.910 -2.010 1
1 606 . 20 1 1 A 51 51 PHE N N 48 121.800 116.377 5.423 1
1 607 . 20 1 1 A 52 52 PHE H H 49 7.440 9.084 -1.644 1
1 608 . 20 1 1 A 52 52 PHE HA H 49 4.560 4.493 0.067 1
1 616 . 20 1 1 A 52 52 PHE C C 49 176.100 175.572 0.528 1
1 617 . 20 1 1 A 52 52 PHE CA C 49 58.300 60.346 -2.046 1
1 618 . 20 1 1 A 52 52 PHE CB C 49 42.000 40.028 1.972 1
1 624 . 20 1 1 A 52 52 PHE N N 49 114.500 120.158 -5.658 1
1 625 . 20 1 1 A 53 53 GLU H H 50 8.590 8.329 0.261 1
1 626 . 20 1 1 A 53 53 GLU HA H 50 3.780 4.568 -0.788 1
1 631 . 20 1 1 A 53 53 GLU C C 50 175.000 175.707 -0.707 1
1 632 . 20 1 1 A 53 53 GLU CA C 50 57.300 57.286 0.014 1
1 633 . 20 1 1 A 53 53 GLU CB C 50 27.100 28.146 -1.046 1
1 635 . 20 1 1 A 53 53 GLU N N 50 120.300 119.559 0.741 1
1 636 . 20 1 1 A 54 54 SER H H 51 7.100 8.072 -0.972 1
1 637 . 20 1 1 A 54 54 SER HA H 51 4.910 5.079 -0.169 1
1 640 . 20 1 1 A 54 54 SER CA C 51 56.500 56.208 0.292 1
1 641 . 20 1 1 A 54 54 SER CB C 51 66.100 65.569 0.531 1
1 642 . 20 1 1 A 54 54 SER N N 51 110.300 120.184 -9.884 1
1 643 . 20 1 1 A 55 55 SER HA H 52 4.550 4.505 0.045 1
1 646 . 20 1 1 A 55 55 SER C C 52 173.500 174.597 -1.097 1
1 647 . 20 1 1 A 55 55 SER CA C 52 56.700 61.153 -4.453 1
1 648 . 20 1 1 A 55 55 SER CB C 52 62.100 64.008 -1.908 1
1 649 . 20 1 1 A 56 56 VAL H H 53 7.590 7.565 0.025 1
1 650 . 20 1 1 A 56 56 VAL HA H 53 4.900 4.588 0.312 1
1 658 . 20 1 1 A 56 56 VAL C C 53 176.800 176.095 0.705 1
1 659 . 20 1 1 A 56 56 VAL CA C 53 61.300 60.047 1.253 1
1 660 . 20 1 1 A 56 56 VAL CB C 53 36.200 34.761 1.439 1
1 663 . 20 1 1 A 56 56 VAL N N 53 117.400 116.197 1.203 1
1 664 . 20 1 1 A 57 57 LEU H H 54 8.690 9.174 -0.484 1
1 665 . 20 1 1 A 57 57 LEU HA H 54 3.930 4.592 -0.662 1
1 675 . 20 1 1 A 57 57 LEU C C 54 179.500 178.157 1.343 1
1 676 . 20 1 1 A 57 57 LEU CA C 54 60.000 55.302 4.698 1
1 677 . 20 1 1 A 57 57 LEU CB C 54 40.800 42.016 -1.216 1
1 681 . 20 1 1 A 57 57 LEU N N 54 121.100 125.721 -4.621 1
1 682 . 20 1 1 A 58 58 SER H H 55 9.750 8.160 1.590 1
1 683 . 20 1 1 A 58 58 SER HA H 55 3.800 4.532 -0.732 1
1 686 . 20 1 1 A 58 58 SER C C 55 174.100 175.500 -1.400 1
1 687 . 20 1 1 A 58 58 SER CA C 55 61.600 60.614 0.986 1
1 688 . 20 1 1 A 58 58 SER CB C 55 61.900 63.112 -1.212 1
1 689 . 20 1 1 A 58 58 SER N N 55 113.400 114.839 -1.439 1
1 690 . 20 1 1 A 59 59 ARG H H 56 7.510 7.810 -0.300 1
1 691 . 20 1 1 A 59 59 ARG HA H 56 4.560 4.569 -0.009 1
1 698 . 20 1 1 A 59 59 ARG C C 56 177.500 175.198 2.302 1
1 699 . 20 1 1 A 59 59 ARG CA C 56 55.400 55.916 -0.516 1
1 700 . 20 1 1 A 59 59 ARG CB C 56 30.400 29.837 0.563 1
1 703 . 20 1 1 A 59 59 ARG N N 56 118.400 118.707 -0.307 1
1 704 . 20 1 1 A 60 60 GLY H H 57 8.550 7.972 0.578 1
1 705 . 20 1 1 A 60 60 GLY HA2 H 57 4.020 4.326 -0.306 1
1 706 . 20 1 1 A 60 60 GLY HA3 H 57 4.020 4.342 -0.322 1
1 707 . 20 1 1 A 60 60 GLY C C 57 171.200 172.877 -1.677 1
1 708 . 20 1 1 A 60 60 GLY CA C 57 45.400 44.392 1.008 1
1 709 . 20 1 1 A 60 60 GLY N N 57 108.600 108.155 0.445 1
1 710 . 20 1 1 A 61 61 LEU H H 58 7.740 8.714 -0.974 1
1 711 . 20 1 1 A 61 61 LEU HA H 58 4.640 5.108 -0.468 1
1 721 . 20 1 1 A 61 61 LEU C C 58 177.000 175.510 1.490 1
1 722 . 20 1 1 A 61 61 LEU CA C 58 54.200 52.906 1.294 1
1 723 . 20 1 1 A 61 61 LEU CB C 58 43.700 44.169 -0.469 1
1 727 . 20 1 1 A 61 61 LEU N N 58 119.100 117.386 1.714 1
1 728 . 20 1 1 A 62 62 ILE H H 59 8.780 8.835 -0.055 1
1 729 . 20 1 1 A 62 62 ILE HA H 59 4.660 4.882 -0.222 1
1 739 . 20 1 1 A 62 62 ILE C C 59 175.500 175.120 0.380 1
1 740 . 20 1 1 A 62 62 ILE CA C 59 60.600 60.325 0.275 1
1 741 . 20 1 1 A 62 62 ILE CB C 59 38.700 39.286 -0.586 1
1 745 . 20 1 1 A 62 62 ILE N N 59 126.500 121.723 4.777 1
1 746 . 20 1 1 A 63 63 ALA H H 60 9.110 9.764 -0.654 1
1 747 . 20 1 1 A 63 63 ALA HA H 60 4.590 5.265 -0.675 1
1 751 . 20 1 1 A 63 63 ALA C C 60 175.000 175.460 -0.460 1
1 752 . 20 1 1 A 63 63 ALA CA C 60 51.300 50.206 1.094 1
1 753 . 20 1 1 A 63 63 ALA CB C 60 23.100 22.364 0.736 1
1 754 . 20 1 1 A 63 63 ALA N N 60 129.300 131.146 -1.846 1
1 755 . 20 1 1 A 64 64 GLU H H 61 8.460 8.880 -0.420 1
1 756 . 20 1 1 A 64 64 GLU HA H 61 5.070 5.334 -0.264 1
1 761 . 20 1 1 A 64 64 GLU C C 61 176.000 174.556 1.444 1
1 762 . 20 1 1 A 64 64 GLU CA C 61 55.100 55.308 -0.208 1
1 763 . 20 1 1 A 64 64 GLU CB C 61 31.200 33.473 -2.273 1
1 765 . 20 1 1 A 64 64 GLU N N 61 121.500 121.414 0.086 1
1 766 . 20 1 1 A 65 65 HIS H H 62 9.310 9.667 -0.357 1
1 767 . 20 1 1 A 65 65 HIS HA H 62 4.740 4.967 -0.227 1
1 772 . 20 1 1 A 65 65 HIS CA C 62 56.400 55.526 0.874 1
1 773 . 20 1 1 A 65 65 HIS CB C 62 32.600 31.481 1.119 1
1 776 . 20 1 1 A 65 65 HIS N N 62 123.500 127.348 -3.848 1
1 777 . 20 1 1 A 66 66 GLN HA H 63 3.870 3.836 0.034 1
1 784 . 20 1 1 A 66 66 GLN C C 63 176.000 175.719 0.281 1
1 785 . 20 1 1 A 66 66 GLN CA C 63 56.600 56.777 -0.177 1
1 786 . 20 1 1 A 66 66 GLN CB C 63 26.800 26.629 0.171 1
1 790 . 20 1 1 A 67 67 GLY H H 64 8.970 8.347 0.623 1
1 791 . 20 1 1 A 67 67 GLY HA2 H 64 3.680 4.119 -0.439 1
1 792 . 20 1 1 A 67 67 GLY HA3 H 64 4.140 4.123 0.017 1
1 793 . 20 1 1 A 67 67 GLY C C 64 173.800 174.180 -0.380 1
1 794 . 20 1 1 A 67 67 GLY CA C 64 45.600 45.133 0.467 1
1 795 . 20 1 1 A 67 67 GLY N N 64 104.200 105.968 -1.768 1
1 796 . 20 1 1 A 68 68 GLU H H 65 7.850 7.876 -0.026 1
1 797 . 20 1 1 A 68 68 GLU HA H 65 4.810 4.549 0.261 1
1 802 . 20 1 1 A 68 68 GLU C C 65 174.400 175.748 -1.348 1
1 803 . 20 1 1 A 68 68 GLU CA C 65 54.100 55.417 -1.317 1
1 804 . 20 1 1 A 68 68 GLU CB C 65 34.000 31.160 2.840 1
1 806 . 20 1 1 A 68 68 GLU N N 65 118.800 121.796 -2.996 1
1 807 . 20 1 1 A 69 69 LEU H H 66 8.030 8.879 -0.849 1
1 808 . 20 1 1 A 69 69 LEU HA H 66 4.920 5.113 -0.193 1
1 818 . 20 1 1 A 69 69 LEU C C 66 177.100 175.289 1.811 1
1 819 . 20 1 1 A 69 69 LEU CA C 66 54.300 52.952 1.348 1
1 820 . 20 1 1 A 69 69 LEU CB C 66 44.500 43.604 0.896 1
1 824 . 20 1 1 A 69 69 LEU N N 66 119.000 125.910 -6.910 1
1 825 . 20 1 1 A 70 70 TRP H H 67 8.980 9.413 -0.433 1
1 826 . 20 1 1 A 70 70 TRP HA H 67 5.140 5.423 -0.283 1
1 835 . 20 1 1 A 70 70 TRP C C 67 174.400 175.222 -0.822 1
1 836 . 20 1 1 A 70 70 TRP CA C 67 55.100 55.304 -0.204 1
1 837 . 20 1 1 A 70 70 TRP CB C 67 31.800 32.882 -1.082 1
1 843 . 20 1 1 A 70 70 TRP N N 67 122.200 124.579 -2.379 1
1 845 . 20 1 1 A 71 71 VAL H H 68 9.490 9.338 0.152 1
1 846 . 20 1 1 A 71 71 VAL HA H 68 4.990 4.811 0.179 1
1 854 . 20 1 1 A 71 71 VAL C C 68 173.000 174.152 -1.152 1
1 855 . 20 1 1 A 71 71 VAL CA C 68 58.500 60.210 -1.710 1
1 856 . 20 1 1 A 71 71 VAL CB C 68 34.300 33.245 1.055 1
1 859 . 20 1 1 A 71 71 VAL N N 68 120.900 124.461 -3.561 1
1 860 . 20 1 1 A 72 72 ALA H H 69 8.550 9.511 -0.961 1
1 861 . 20 1 1 A 72 72 ALA HA H 69 5.280 5.460 -0.180 1
1 865 . 20 1 1 A 72 72 ALA C C 69 178.000 175.558 2.442 1
1 866 . 20 1 1 A 72 72 ALA CA C 69 49.200 50.235 -1.035 1
1 867 . 20 1 1 A 72 72 ALA CB C 69 19.700 20.842 -1.142 1
1 868 . 20 1 1 A 72 72 ALA N N 69 130.000 131.456 -1.456 1
1 869 . 20 1 1 A 73 73 SER H H 70 9.470 9.385 0.085 1
1 870 . 20 1 1 A 73 73 SER HA H 70 4.540 4.882 -0.342 1
1 873 . 20 1 1 A 73 73 SER CA C 70 55.700 55.912 -0.212 1
1 874 . 20 1 1 A 73 73 SER CB C 70 64.400 63.938 0.462 1
1 875 . 20 1 1 A 73 73 SER N N 70 118.100 122.020 -3.920 1
1 876 . 20 1 1 A 74 74 PRO HA H 71 4.540 4.355 0.185 1
1 883 . 20 1 1 A 74 74 PRO C C 71 176.700 178.140 -1.440 1
1 884 . 20 1 1 A 74 74 PRO CA C 71 64.000 64.248 -0.248 1
1 885 . 20 1 1 A 74 74 PRO CB C 71 32.300 31.814 0.486 1
1 888 . 20 1 1 A 75 75 LEU H H 72 7.850 8.249 -0.399 1
1 889 . 20 1 1 A 75 75 LEU HA H 72 4.330 4.105 0.225 1
1 899 . 20 1 1 A 75 75 LEU CA C 72 56.200 57.339 -1.139 1
1 900 . 20 1 1 A 75 75 LEU CB C 72 38.500 42.009 -3.509 1
1 904 . 20 1 1 A 75 75 LEU N N 72 119.300 117.669 1.631 1
1 905 . 20 1 1 A 76 76 LYS HA H 73 4.470 4.321 0.149 1
1 914 . 20 1 1 A 76 76 LYS C C 73 176.600 176.033 0.567 1
1 915 . 20 1 1 A 76 76 LYS CA C 73 54.600 54.876 -0.276 1
1 916 . 20 1 1 A 76 76 LYS CB C 73 31.700 33.457 -1.757 1
1 920 . 20 1 1 A 77 77 LYS H H 74 7.240 7.787 -0.547 1
1 921 . 20 1 1 A 77 77 LYS HA H 74 4.440 3.823 0.617 1
1 930 . 20 1 1 A 77 77 LYS C C 74 175.500 176.235 -0.735 1
1 931 . 20 1 1 A 77 77 LYS CA C 74 57.800 57.431 0.369 1
1 932 . 20 1 1 A 77 77 LYS CB C 74 28.600 30.955 -2.355 1
1 936 . 20 1 1 A 77 77 LYS N N 74 110.900 119.342 -8.442 1
1 937 . 20 1 1 A 78 78 GLN H H 75 8.080 7.674 0.406 1
1 938 . 20 1 1 A 78 78 GLN HA H 75 4.030 4.246 -0.216 1
1 945 . 20 1 1 A 78 78 GLN C C 75 174.500 175.095 -0.595 1
1 946 . 20 1 1 A 78 78 GLN CA C 75 58.400 55.409 2.991 1
1 947 . 20 1 1 A 78 78 GLN CB C 75 27.400 29.263 -1.863 1
1 949 . 20 1 1 A 78 78 GLN N N 75 119.100 119.590 -0.490 1
1 951 . 20 1 1 A 79 79 ARG H H 76 9.800 8.838 0.962 1
1 952 . 20 1 1 A 79 79 ARG HA H 76 5.310 5.065 0.245 1
1 960 . 20 1 1 A 79 79 ARG C C 76 175.800 175.133 0.667 1
1 961 . 20 1 1 A 79 79 ARG CA C 76 55.300 55.118 0.182 1
1 962 . 20 1 1 A 79 79 ARG CB C 76 33.100 31.857 1.243 1
1 965 . 20 1 1 A 79 79 ARG N N 76 122.800 126.768 -3.968 1
1 967 . 20 1 1 A 80 80 PHE H H 77 9.220 9.287 -0.067 1
1 968 . 20 1 1 A 80 80 PHE HA H 77 5.630 4.972 0.658 1
1 976 . 20 1 1 A 80 80 PHE C C 77 175.300 174.659 0.641 1
1 977 . 20 1 1 A 80 80 PHE CA C 77 55.800 56.496 -0.696 1
1 978 . 20 1 1 A 80 80 PHE CB C 77 41.300 42.161 -0.861 1
1 984 . 20 1 1 A 80 80 PHE N N 77 119.400 122.765 -3.365 1
1 985 . 20 1 1 A 81 81 ARG H H 78 9.870 8.993 0.877 1
1 986 . 20 1 1 A 81 81 ARG HA H 78 3.490 3.800 -0.310 1
1 996 . 20 1 1 A 81 81 ARG C C 78 177.400 175.872 1.528 1
1 997 . 20 1 1 A 81 81 ARG CA C 78 58.100 55.909 2.191 1
1 998 . 20 1 1 A 81 81 ARG CB C 78 30.500 29.562 0.938 1
1 1001 . 20 1 1 A 81 81 ARG N N 78 130.100 124.764 5.336 1
1 1004 . 20 1 1 A 82 82 LEU H H 79 7.860 8.622 -0.762 1
1 1005 . 20 1 1 A 82 82 LEU HA H 79 3.790 3.994 -0.204 1
1 1015 . 20 1 1 A 82 82 LEU C C 79 177.500 178.474 -0.974 1
1 1016 . 20 1 1 A 82 82 LEU CA C 79 57.600 56.587 1.013 1
1 1017 . 20 1 1 A 82 82 LEU CB C 79 39.600 41.254 -1.654 1
1 1021 . 20 1 1 A 82 82 LEU N N 79 125.300 126.884 -1.584 1
1 1022 . 20 1 1 A 83 83 SER H H 80 8.000 7.596 0.404 1
1 1023 . 20 1 1 A 83 83 SER HA H 80 4.200 3.683 0.517 1
1 1026 . 20 1 1 A 83 83 SER C C 80 176.600 175.172 1.428 1
1 1027 . 20 1 1 A 83 83 SER CA C 80 60.100 60.650 -0.550 1
1 1028 . 20 1 1 A 83 83 SER CB C 80 62.500 62.711 -0.211 1
1 1029 . 20 1 1 A 83 83 SER N N 80 109.700 114.326 -4.626 1
1 1030 . 20 1 1 A 84 84 ASP H H 81 7.100 7.769 -0.669 1
1 1031 . 20 1 1 A 84 84 ASP HA H 81 4.090 4.079 0.011 1
1 1034 . 20 1 1 A 84 84 ASP C C 81 175.900 175.981 -0.081 1
1 1035 . 20 1 1 A 84 84 ASP CA C 81 53.500 55.378 -1.878 1
1 1036 . 20 1 1 A 84 84 ASP CB C 81 41.900 42.797 -0.897 1
1 1037 . 20 1 1 A 84 84 ASP N N 81 117.300 118.553 -1.253 1
1 1038 . 20 1 1 A 85 85 GLY H H 82 8.860 7.362 1.498 1
1 1039 . 20 1 1 A 85 85 GLY HA2 H 82 3.590 4.030 -0.440 1
1 1040 . 20 1 1 A 85 85 GLY HA3 H 82 4.810 4.034 0.776 1
1 1041 . 20 1 1 A 85 85 GLY C C 82 173.700 174.676 -0.976 1
1 1042 . 20 1 1 A 85 85 GLY CA C 82 45.900 45.120 0.780 1
1 1043 . 20 1 1 A 85 85 GLY N N 82 111.300 106.406 4.894 1
1 1044 . 20 1 1 A 86 86 LEU H H 83 7.430 7.970 -0.540 1
1 1045 . 20 1 1 A 86 86 LEU HA H 83 4.290 4.764 -0.474 1
1 1055 . 20 1 1 A 86 86 LEU C C 83 176.600 175.660 0.940 1
1 1056 . 20 1 1 A 86 86 LEU CA C 83 56.200 54.262 1.938 1
1 1057 . 20 1 1 A 86 86 LEU CB C 83 43.100 42.889 0.211 1
1 1061 . 20 1 1 A 86 86 LEU N N 83 120.800 122.618 -1.818 1
1 1062 . 20 1 1 A 87 87 CYS H H 84 8.080 8.769 -0.689 1
1 1063 . 20 1 1 A 87 87 CYS HA H 84 5.290 5.296 -0.006 1
1 1066 . 20 1 1 A 87 87 CYS C C 84 175.300 175.929 -0.629 1
1 1067 . 20 1 1 A 87 87 CYS CA C 84 56.600 58.827 -2.227 1
1 1068 . 20 1 1 A 87 87 CYS CB C 84 27.800 29.167 -1.367 1
1 1069 . 20 1 1 A 87 87 CYS N N 84 126.300 126.198 0.102 1
1 1070 . 20 1 1 A 88 88 MET H H 85 8.760 8.511 0.249 1
1 1071 . 20 1 1 A 88 88 MET HA H 85 3.630 4.162 -0.532 1
1 1079 . 20 1 1 A 88 88 MET C C 85 177.500 177.526 -0.026 1
1 1080 . 20 1 1 A 88 88 MET CA C 85 58.800 57.216 1.584 1
1 1081 . 20 1 1 A 88 88 MET CB C 85 33.800 31.570 2.230 1
1 1084 . 20 1 1 A 88 88 MET N N 85 130.500 126.308 4.192 1
1 1085 . 20 1 1 A 89 89 GLU H H 86 9.160 7.423 1.737 1
1 1086 . 20 1 1 A 89 89 GLU HA H 86 3.770 4.281 -0.511 1
1 1091 . 20 1 1 A 89 89 GLU C C 86 177.500 177.275 0.225 1
1 1092 . 20 1 1 A 89 89 GLU CA C 86 60.900 58.051 2.849 1
1 1093 . 20 1 1 A 89 89 GLU CB C 86 29.300 30.478 -1.178 1
1 1095 . 20 1 1 A 89 89 GLU N N 86 119.200 117.825 1.375 1
1 1096 . 20 1 1 A 90 90 ASP H H 87 7.080 7.877 -0.797 1
1 1097 . 20 1 1 A 90 90 ASP HA H 87 4.590 4.656 -0.066 1
1 1100 . 20 1 1 A 90 90 ASP CA C 87 54.700 53.618 1.082 1
1 1101 . 20 1 1 A 90 90 ASP CB C 87 41.800 40.752 1.048 1
1 1102 . 20 1 1 A 90 90 ASP N N 87 115.800 119.271 -3.471 1
1 1103 . 20 1 1 A 91 91 GLU H H 88 9.340 8.313 1.027 1
1 1104 . 20 1 1 A 91 91 GLU HA H 88 4.290 4.094 0.196 1
1 1109 . 20 1 1 A 91 91 GLU C C 88 178.900 178.001 0.899 1
1 1110 . 20 1 1 A 91 91 GLU CA C 88 59.000 58.445 0.555 1
1 1111 . 20 1 1 A 91 91 GLU CB C 88 29.100 28.602 0.498 1
1 1113 . 20 1 1 A 91 91 GLU N N 88 127.400 118.542 8.858 1
1 1114 . 20 1 1 A 92 92 GLN H H 89 8.920 7.937 0.983 1
1 1115 . 20 1 1 A 92 92 GLN HA H 89 4.170 3.956 0.214 1
1 1122 . 20 1 1 A 92 92 GLN C C 89 176.600 176.971 -0.371 1
1 1123 . 20 1 1 A 92 92 GLN CA C 89 57.800 58.827 -1.027 1
1 1124 . 20 1 1 A 92 92 GLN CB C 89 28.400 28.773 -0.373 1
1 1127 . 20 1 1 A 92 92 GLN N N 89 120.400 118.502 1.898 1
1 1129 . 20 1 1 A 93 93 PHE H H 90 8.150 7.981 0.169 1
1 1130 . 20 1 1 A 93 93 PHE HA H 90 4.430 4.669 -0.239 1
1 1138 . 20 1 1 A 93 93 PHE C C 90 172.600 175.983 -3.383 1
1 1139 . 20 1 1 A 93 93 PHE CA C 90 57.800 58.510 -0.710 1
1 1140 . 20 1 1 A 93 93 PHE CB C 90 39.300 41.322 -2.022 1
1 1146 . 20 1 1 A 93 93 PHE N N 90 119.700 114.000 5.700 1
1 1147 . 20 1 1 A 94 94 SER H H 91 7.020 8.390 -1.370 1
1 1148 . 20 1 1 A 94 94 SER HA H 91 4.870 4.676 0.194 1
1 1152 . 20 1 1 A 94 94 SER C C 91 174.100 174.047 0.053 1
1 1153 . 20 1 1 A 94 94 SER CA C 91 60.900 60.973 -0.073 1
1 1154 . 20 1 1 A 94 94 SER CB C 91 63.600 62.205 1.395 1
1 1155 . 20 1 1 A 94 94 SER N N 91 112.700 113.217 -0.517 1
1 1156 . 20 1 1 A 95 95 VAL H H 92 9.120 7.906 1.214 1
1 1157 . 20 1 1 A 95 95 VAL HA H 92 4.810 4.745 0.065 1
1 1165 . 20 1 1 A 95 95 VAL C C 92 175.700 175.144 0.556 1
1 1166 . 20 1 1 A 95 95 VAL CA C 92 59.200 60.047 -0.847 1
1 1167 . 20 1 1 A 95 95 VAL CB C 92 35.700 34.318 1.382 1
1 1170 . 20 1 1 A 95 95 VAL N N 92 116.900 119.354 -2.454 1
1 1171 . 20 1 1 A 96 96 LYS H H 93 8.390 8.238 0.152 1
1 1172 . 20 1 1 A 96 96 LYS HA H 93 4.010 4.375 -0.365 1
1 1181 . 20 1 1 A 96 96 LYS C C 93 174.800 175.540 -0.740 1
1 1182 . 20 1 1 A 96 96 LYS CA C 93 57.700 56.118 1.582 1
1 1183 . 20 1 1 A 96 96 LYS CB C 93 34.000 32.784 1.216 1
1 1187 . 20 1 1 A 96 96 LYS N N 93 120.300 122.602 -2.302 1
1 1188 . 20 1 1 A 97 97 HIS H H 94 8.030 8.606 -0.576 1
1 1189 . 20 1 1 A 97 97 HIS HA H 94 5.060 5.097 -0.037 1
1 1194 . 20 1 1 A 97 97 HIS C C 94 172.600 172.933 -0.333 1
1 1195 . 20 1 1 A 97 97 HIS CA C 94 54.700 54.787 -0.087 1
1 1196 . 20 1 1 A 97 97 HIS CB C 94 31.400 32.970 -1.570 1
1 1199 . 20 1 1 A 97 97 HIS N N 94 121.000 127.328 -6.328 1
1 1200 . 20 1 1 A 98 98 TYR H H 95 7.610 8.986 -1.376 1
1 1201 . 20 1 1 A 98 98 TYR HA H 95 4.410 4.762 -0.352 1
1 1208 . 20 1 1 A 98 98 TYR C C 95 173.600 175.396 -1.796 1
1 1209 . 20 1 1 A 98 98 TYR CA C 95 56.400 56.236 0.164 1
1 1210 . 20 1 1 A 98 98 TYR CB C 95 40.900 42.114 -1.214 1
1 1215 . 20 1 1 A 98 98 TYR N N 95 121.800 124.422 -2.622 1
1 1216 . 20 1 1 A 99 99 GLU H H 96 8.480 8.561 -0.081 1
1 1217 . 20 1 1 A 99 99 GLU HA H 96 4.420 4.771 -0.351 1
1 1222 . 20 1 1 A 99 99 GLU C C 96 174.300 176.316 -2.016 1
1 1223 . 20 1 1 A 99 99 GLU CA C 96 56.600 56.657 -0.057 1
1 1224 . 20 1 1 A 99 99 GLU CB C 96 30.700 30.525 0.175 1
1 1226 . 20 1 1 A 99 99 GLU N N 96 122.200 122.035 0.165 1
1 1227 . 20 1 1 A 100 100 ALA H H 97 8.420 8.750 -0.330 1
1 1228 . 20 1 1 A 100 100 ALA HA H 97 5.940 5.628 0.312 1
1 1232 . 20 1 1 A 100 100 ALA C C 97 176.100 175.753 0.347 1
1 1233 . 20 1 1 A 100 100 ALA CA C 97 50.400 50.693 -0.293 1
1 1234 . 20 1 1 A 100 100 ALA CB C 97 23.700 22.573 1.127 1
1 1235 . 20 1 1 A 100 100 ALA N N 97 124.100 125.577 -1.477 1
1 1236 . 20 1 1 A 101 101 ARG H H 98 9.000 9.146 -0.146 1
1 1237 . 20 1 1 A 101 101 ARG HA H 98 4.640 5.010 -0.370 1
1 1245 . 20 1 1 A 101 101 ARG C C 98 172.100 173.925 -1.825 1
1 1246 . 20 1 1 A 101 101 ARG CA C 98 54.200 54.136 0.064 1
1 1247 . 20 1 1 A 101 101 ARG CB C 98 32.800 33.840 -1.040 1
1 1250 . 20 1 1 A 101 101 ARG N N 98 118.400 119.472 -1.072 1
1 1252 . 20 1 1 A 102 102 VAL H H 99 8.330 8.489 -0.159 1
1 1253 . 20 1 1 A 102 102 VAL HA H 99 4.720 4.647 0.073 1
1 1261 . 20 1 1 A 102 102 VAL C C 99 175.200 174.258 0.942 1
1 1262 . 20 1 1 A 102 102 VAL CA C 99 61.100 61.258 -0.158 1
1 1263 . 20 1 1 A 102 102 VAL CB C 99 32.700 32.363 0.337 1
1 1266 . 20 1 1 A 102 102 VAL N N 99 119.500 122.260 -2.760 1
1 1267 . 20 1 1 A 103 103 LYS H H 100 9.070 9.009 0.061 1
1 1268 . 20 1 1 A 103 103 LYS HA H 100 4.460 4.392 0.068 1
1 1277 . 20 1 1 A 103 103 LYS C C 100 175.700 176.593 -0.893 1
1 1278 . 20 1 1 A 103 103 LYS CA C 100 54.300 55.556 -1.256 1
1 1279 . 20 1 1 A 103 103 LYS CB C 100 34.800 32.938 1.862 1
1 1283 . 20 1 1 A 103 103 LYS N N 100 130.200 128.103 2.097 1
1 1284 . 20 1 1 A 104 104 ASP H H 101 9.560 8.728 0.832 1
1 1285 . 20 1 1 A 104 104 ASP HA H 101 4.210 4.293 -0.083 1
1 1288 . 20 1 1 A 104 104 ASP C C 101 175.800 176.366 -0.566 1
1 1289 . 20 1 1 A 104 104 ASP CA C 101 55.500 54.919 0.581 1
1 1290 . 20 1 1 A 104 104 ASP CB C 101 39.700 38.600 1.100 1
1 1291 . 20 1 1 A 104 104 ASP N N 101 130.600 125.481 5.119 1
1 1292 . 20 1 1 A 105 105 GLY H H 102 8.260 8.246 0.014 1
1 1293 . 20 1 1 A 105 105 GLY HA2 H 102 3.450 3.930 -0.480 1
1 1294 . 20 1 1 A 105 105 GLY HA3 H 102 4.170 3.931 0.239 1
1 1295 . 20 1 1 A 105 105 GLY C C 102 173.300 173.735 -0.435 1
1 1296 . 20 1 1 A 105 105 GLY CA C 102 45.300 45.035 0.265 1
1 1297 . 20 1 1 A 105 105 GLY N N 102 101.900 108.780 -6.880 1
1 1298 . 20 1 1 A 106 106 VAL H H 103 7.900 8.250 -0.350 1
1 1299 . 20 1 1 A 106 106 VAL HA H 103 4.270 4.104 0.166 1
1 1307 . 20 1 1 A 106 106 VAL C C 103 175.100 174.808 0.292 1
1 1308 . 20 1 1 A 106 106 VAL CA C 103 62.100 62.389 -0.289 1
1 1309 . 20 1 1 A 106 106 VAL CB C 103 34.100 32.666 1.434 1
1 1312 . 20 1 1 A 106 106 VAL N N 103 123.800 122.235 1.565 1
1 1313 . 20 1 1 A 107 107 VAL H H 104 9.290 9.189 0.101 1
1 1314 . 20 1 1 A 107 107 VAL HA H 104 4.220 4.129 0.091 1
1 1322 . 20 1 1 A 107 107 VAL C C 104 174.300 175.512 -1.212 1
1 1323 . 20 1 1 A 107 107 VAL CA C 104 62.700 62.921 -0.221 1
1 1324 . 20 1 1 A 107 107 VAL CB C 104 31.500 31.334 0.166 1
1 1327 . 20 1 1 A 107 107 VAL N N 104 127.300 128.112 -0.812 1
1 1328 . 20 1 1 A 108 108 GLN H H 105 9.410 9.331 0.079 1
1 1329 . 20 1 1 A 108 108 GLN HA H 105 5.720 5.432 0.288 1
1 1336 . 20 1 1 A 108 108 GLN C C 105 174.900 174.711 0.189 1
1 1337 . 20 1 1 A 108 108 GLN CA C 105 53.400 54.511 -1.111 1
1 1338 . 20 1 1 A 108 108 GLN CB C 105 34.600 32.014 2.586 1
1 1341 . 20 1 1 A 108 108 GLN N N 105 126.500 127.070 -0.570 1
1 1343 . 20 1 1 A 109 109 LEU H H 106 8.530 9.183 -0.653 1
1 1344 . 20 1 1 A 109 109 LEU HA H 106 5.760 5.602 0.158 1
1 1354 . 20 1 1 A 109 109 LEU C C 106 176.300 175.374 0.926 1
1 1355 . 20 1 1 A 109 109 LEU CA C 106 52.800 53.224 -0.424 1
1 1356 . 20 1 1 A 109 109 LEU CB C 106 48.900 44.994 3.906 1
1 1360 . 20 1 1 A 109 109 LEU N N 106 118.900 124.638 -5.738 1
1 1361 . 20 1 1 A 110 110 ARG H H 107 8.310 8.995 -0.685 1
1 1362 . 20 1 1 A 110 110 ARG HA H 107 4.230 4.660 -0.430 1
1 1370 . 20 1 1 A 110 110 ARG C C 107 174.800 175.031 -0.231 1
1 1371 . 20 1 1 A 110 110 ARG CA C 107 55.700 53.886 1.814 1
1 1372 . 20 1 1 A 110 110 ARG CB C 107 31.900 31.832 0.068 1
1 1375 . 20 1 1 A 110 110 ARG N N 107 119.900 123.722 -3.822 1
1 1377 . 20 1 1 A 111 111 GLY H H 108 8.390 8.820 -0.430 1
1 1378 . 20 1 1 A 111 111 GLY HA2 H 108 3.880 4.215 -0.335 1
1 1379 . 20 1 1 A 111 111 GLY HA3 H 108 4.130 4.312 -0.182 1
1 1380 . 20 1 1 A 111 111 GLY C C 108 173.500 173.971 -0.471 1
1 1381 . 20 1 1 A 111 111 GLY CA C 108 45.000 45.635 -0.635 1
1 1382 . 20 1 1 A 111 111 GLY N N 108 110.000 113.583 -3.583 1
1 1383 . 20 1 1 A 112 112 GLY H H 109 8.280 8.215 0.065 1
1 1384 . 20 1 1 A 112 112 GLY HA2 H 109 3.850 4.135 -0.285 1
1 1385 . 20 1 1 A 112 112 GLY HA3 H 109 3.950 4.138 -0.188 1
1 1386 . 20 1 1 A 112 112 GLY C C 109 173.200 172.157 1.043 1
1 1387 . 20 1 1 A 112 112 GLY CA C 109 45.100 44.863 0.237 1
1 1388 . 20 1 1 A 112 112 GLY N N 109 108.400 113.214 -4.814 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 100 1.102 1
2 1 1 1 "RMS(OBS, PRED)" CA 108 1.327 1
3 1 1 1 "RMS(OBS, PRED)" CB 100 1.475 1
4 1 1 1 "RMS(OBS, PRED)" H 101 0.686 1
5 1 1 1 "RMS(OBS, PRED)" HA 116 0.393 1
6 1 1 1 "RMS(OBS, PRED)" N 101 3.517 1
7 1 2 1 "RMS(OBS, PRED)" C 100 1.081 1
8 1 2 1 "RMS(OBS, PRED)" CA 108 1.259 1
9 1 2 1 "RMS(OBS, PRED)" CB 100 1.526 1
10 1 2 1 "RMS(OBS, PRED)" H 101 0.657 1
11 1 2 1 "RMS(OBS, PRED)" HA 116 0.372 1
12 1 2 1 "RMS(OBS, PRED)" N 101 3.510 1
13 1 3 1 "RMS(OBS, PRED)" C 100 1.086 1
14 1 3 1 "RMS(OBS, PRED)" CA 108 1.315 1
15 1 3 1 "RMS(OBS, PRED)" CB 100 1.524 1
16 1 3 1 "RMS(OBS, PRED)" H 101 0.574 1
17 1 3 1 "RMS(OBS, PRED)" HA 116 0.387 1
18 1 3 1 "RMS(OBS, PRED)" N 101 3.490 1
19 1 4 1 "RMS(OBS, PRED)" C 100 1.039 1
20 1 4 1 "RMS(OBS, PRED)" CA 108 1.302 1
21 1 4 1 "RMS(OBS, PRED)" CB 100 1.414 1
22 1 4 1 "RMS(OBS, PRED)" H 101 0.613 1
23 1 4 1 "RMS(OBS, PRED)" HA 116 0.362 1
24 1 4 1 "RMS(OBS, PRED)" N 101 3.349 1
25 1 5 1 "RMS(OBS, PRED)" C 100 0.996 1
26 1 5 1 "RMS(OBS, PRED)" CA 108 1.311 1
27 1 5 1 "RMS(OBS, PRED)" CB 100 1.397 1
28 1 5 1 "RMS(OBS, PRED)" H 101 0.686 1
29 1 5 1 "RMS(OBS, PRED)" HA 116 0.380 1
30 1 5 1 "RMS(OBS, PRED)" N 101 3.467 1
31 1 6 1 "RMS(OBS, PRED)" C 100 1.029 1
32 1 6 1 "RMS(OBS, PRED)" CA 108 1.325 1
33 1 6 1 "RMS(OBS, PRED)" CB 100 1.554 1
34 1 6 1 "RMS(OBS, PRED)" H 101 0.582 1
35 1 6 1 "RMS(OBS, PRED)" HA 116 0.369 1
36 1 6 1 "RMS(OBS, PRED)" N 101 3.407 1
37 1 7 1 "RMS(OBS, PRED)" C 100 0.960 1
38 1 7 1 "RMS(OBS, PRED)" CA 108 1.237 1
39 1 7 1 "RMS(OBS, PRED)" CB 100 1.396 1
40 1 7 1 "RMS(OBS, PRED)" H 101 0.678 1
41 1 7 1 "RMS(OBS, PRED)" HA 116 0.367 1
42 1 7 1 "RMS(OBS, PRED)" N 101 3.291 1
43 1 8 1 "RMS(OBS, PRED)" C 100 1.049 1
44 1 8 1 "RMS(OBS, PRED)" CA 108 1.381 1
45 1 8 1 "RMS(OBS, PRED)" CB 100 1.826 1
46 1 8 1 "RMS(OBS, PRED)" H 101 0.651 1
47 1 8 1 "RMS(OBS, PRED)" HA 116 0.374 1
48 1 8 1 "RMS(OBS, PRED)" N 101 3.534 1
49 1 9 1 "RMS(OBS, PRED)" C 100 1.059 1
50 1 9 1 "RMS(OBS, PRED)" CA 108 1.245 1
51 1 9 1 "RMS(OBS, PRED)" CB 100 1.389 1
52 1 9 1 "RMS(OBS, PRED)" H 101 0.619 1
53 1 9 1 "RMS(OBS, PRED)" HA 116 0.363 1
54 1 9 1 "RMS(OBS, PRED)" N 101 3.307 1
55 1 10 1 "RMS(OBS, PRED)" C 100 1.125 1
56 1 10 1 "RMS(OBS, PRED)" CA 108 1.227 1
57 1 10 1 "RMS(OBS, PRED)" CB 100 1.576 1
58 1 10 1 "RMS(OBS, PRED)" H 101 0.659 1
59 1 10 1 "RMS(OBS, PRED)" HA 116 0.388 1
60 1 10 1 "RMS(OBS, PRED)" N 101 3.718 1
61 1 11 1 "RMS(OBS, PRED)" C 100 1.076 1
62 1 11 1 "RMS(OBS, PRED)" CA 108 1.279 1
63 1 11 1 "RMS(OBS, PRED)" CB 100 1.626 1
64 1 11 1 "RMS(OBS, PRED)" H 101 0.628 1
65 1 11 1 "RMS(OBS, PRED)" HA 116 0.373 1
66 1 11 1 "RMS(OBS, PRED)" N 101 3.675 1
67 1 12 1 "RMS(OBS, PRED)" C 100 1.115 1
68 1 12 1 "RMS(OBS, PRED)" CA 108 1.301 1
69 1 12 1 "RMS(OBS, PRED)" CB 100 1.499 1
70 1 12 1 "RMS(OBS, PRED)" H 101 0.623 1
71 1 12 1 "RMS(OBS, PRED)" HA 116 0.358 1
72 1 12 1 "RMS(OBS, PRED)" N 101 3.325 1
73 1 13 1 "RMS(OBS, PRED)" C 100 1.020 1
74 1 13 1 "RMS(OBS, PRED)" CA 108 1.265 1
75 1 13 1 "RMS(OBS, PRED)" CB 100 1.697 1
76 1 13 1 "RMS(OBS, PRED)" H 101 0.693 1
77 1 13 1 "RMS(OBS, PRED)" HA 116 0.386 1
78 1 13 1 "RMS(OBS, PRED)" N 101 3.901 1
79 1 14 1 "RMS(OBS, PRED)" C 100 1.033 1
80 1 14 1 "RMS(OBS, PRED)" CA 108 1.282 1
81 1 14 1 "RMS(OBS, PRED)" CB 100 1.490 1
82 1 14 1 "RMS(OBS, PRED)" H 101 0.682 1
83 1 14 1 "RMS(OBS, PRED)" HA 116 0.362 1
84 1 14 1 "RMS(OBS, PRED)" N 101 3.654 1
85 1 15 1 "RMS(OBS, PRED)" C 100 1.149 1
86 1 15 1 "RMS(OBS, PRED)" CA 108 1.233 1
87 1 15 1 "RMS(OBS, PRED)" CB 100 1.405 1
88 1 15 1 "RMS(OBS, PRED)" H 101 0.610 1
89 1 15 1 "RMS(OBS, PRED)" HA 116 0.386 1
90 1 15 1 "RMS(OBS, PRED)" N 101 3.172 1
91 1 16 1 "RMS(OBS, PRED)" C 100 1.063 1
92 1 16 1 "RMS(OBS, PRED)" CA 108 1.240 1
93 1 16 1 "RMS(OBS, PRED)" CB 100 1.489 1
94 1 16 1 "RMS(OBS, PRED)" H 101 0.641 1
95 1 16 1 "RMS(OBS, PRED)" HA 116 0.382 1
96 1 16 1 "RMS(OBS, PRED)" N 101 3.845 1
97 1 17 1 "RMS(OBS, PRED)" C 100 1.097 1
98 1 17 1 "RMS(OBS, PRED)" CA 108 1.326 1
99 1 17 1 "RMS(OBS, PRED)" CB 100 1.548 1
100 1 17 1 "RMS(OBS, PRED)" H 101 0.656 1
101 1 17 1 "RMS(OBS, PRED)" HA 116 0.404 1
102 1 17 1 "RMS(OBS, PRED)" N 101 3.629 1
103 1 18 1 "RMS(OBS, PRED)" C 100 1.024 1
104 1 18 1 "RMS(OBS, PRED)" CA 108 1.235 1
105 1 18 1 "RMS(OBS, PRED)" CB 100 1.634 1
106 1 18 1 "RMS(OBS, PRED)" H 101 0.664 1
107 1 18 1 "RMS(OBS, PRED)" HA 116 0.371 1
108 1 18 1 "RMS(OBS, PRED)" N 101 3.708 1
109 1 19 1 "RMS(OBS, PRED)" C 100 1.037 1
110 1 19 1 "RMS(OBS, PRED)" CA 108 1.154 1
111 1 19 1 "RMS(OBS, PRED)" CB 100 1.312 1
112 1 19 1 "RMS(OBS, PRED)" H 101 0.623 1
113 1 19 1 "RMS(OBS, PRED)" HA 116 0.370 1
114 1 19 1 "RMS(OBS, PRED)" N 101 3.224 1
115 1 20 1 "RMS(OBS, PRED)" C 100 1.117 1
116 1 20 1 "RMS(OBS, PRED)" CA 108 1.284 1
117 1 20 1 "RMS(OBS, PRED)" CB 100 1.415 1
118 1 20 1 "RMS(OBS, PRED)" H 101 0.663 1
119 1 20 1 "RMS(OBS, PRED)" HA 116 0.380 1
120 1 20 1 "RMS(OBS, PRED)" N 101 3.675 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 10 . 1 1 A 5 5 SER H H 2 8.360 8.542 -0.182 2
1 11 . 1 1 A 5 5 SER HA H 2 4.400 4.573 -0.173 2
1 14 . 1 1 A 5 5 SER C C 2 174.100 173.577 0.523 2
1 15 . 1 1 A 5 5 SER CA C 2 58.200 58.149 0.051 2
1 16 . 1 1 A 5 5 SER CB C 2 63.700 63.862 -0.162 2
1 17 . 1 1 A 5 5 SER N N 2 117.000 115.776 1.224 2
1 18 . 1 1 A 6 6 GLN H H 3 8.280 8.319 -0.039 2
1 19 . 1 1 A 6 6 GLN HA H 3 4.320 4.472 -0.152 2
1 26 . 1 1 A 6 6 GLN C C 3 175.500 174.682 0.818 2
1 27 . 1 1 A 6 6 GLN CA C 3 55.400 55.359 0.041 2
1 28 . 1 1 A 6 6 GLN CB C 3 30.100 28.421 1.679 2
1 31 . 1 1 A 6 6 GLN N N 3 121.800 122.201 -0.401 2
1 33 . 1 1 A 7 7 TRP H H 4 8.170 8.504 -0.334 2
1 34 . 1 1 A 7 7 TRP HA H 4 4.470 5.008 -0.538 2
1 43 . 1 1 A 7 7 TRP C C 4 176.200 175.732 0.468 2
1 44 . 1 1 A 7 7 TRP CA C 4 57.600 57.312 0.288 2
1 45 . 1 1 A 7 7 TRP CB C 4 30.300 28.926 1.374 2
1 51 . 1 1 A 7 7 TRP N N 4 122.300 125.290 -2.990 2
1 53 . 1 1 A 8 8 LYS H H 5 9.370 8.842 0.528 2
1 54 . 1 1 A 8 8 LYS HA H 5 4.690 4.655 0.035 2
1 63 . 1 1 A 8 8 LYS C C 5 175.600 175.739 -0.139 2
1 64 . 1 1 A 8 8 LYS CA C 5 54.200 55.955 -1.755 2
1 65 . 1 1 A 8 8 LYS CB C 5 34.700 33.550 1.150 2
1 69 . 1 1 A 8 8 LYS N N 5 125.100 126.235 -1.135 2
1 70 . 1 1 A 9 9 ASP H H 6 8.730 8.811 -0.081 2
1 71 . 1 1 A 9 9 ASP HA H 6 4.500 4.839 -0.339 2
1 74 . 1 1 A 9 9 ASP C C 6 176.200 175.724 0.476 2
1 75 . 1 1 A 9 9 ASP CA C 6 55.400 54.449 0.951 2
1 76 . 1 1 A 9 9 ASP CB C 6 40.700 40.760 -0.060 2
1 77 . 1 1 A 9 9 ASP N N 6 125.400 126.265 -0.865 2
1 78 . 1 1 A 10 10 ILE H H 7 9.300 9.340 -0.040 2
1 79 . 1 1 A 10 10 ILE HA H 7 4.300 4.078 0.222 2
1 89 . 1 1 A 10 10 ILE C C 7 175.500 176.051 -0.551 2
1 90 . 1 1 A 10 10 ILE CA C 7 60.000 63.083 -3.083 2
1 91 . 1 1 A 10 10 ILE CB C 7 37.700 38.156 -0.456 2
1 95 . 1 1 A 10 10 ILE N N 7 122.900 124.915 -2.015 2
1 96 . 1 1 A 11 11 CYS H H 8 7.510 7.717 -0.207 2
1 97 . 1 1 A 11 11 CYS HA H 8 4.880 4.730 0.150 2
1 100 . 1 1 A 11 11 CYS C C 8 172.300 173.064 -0.763 2
1 101 . 1 1 A 11 11 CYS CA C 8 55.700 57.676 -1.976 2
1 102 . 1 1 A 11 11 CYS CB C 8 28.800 31.222 -2.422 2
1 103 . 1 1 A 11 11 CYS N N 8 111.400 116.284 -4.883 2
1 104 . 1 1 A 12 12 LYS H H 9 8.920 8.577 0.343 2
1 105 . 1 1 A 12 12 LYS HA H 9 4.880 4.572 0.308 2
1 114 . 1 1 A 12 12 LYS C C 9 179.400 177.985 1.415 2
1 115 . 1 1 A 12 12 LYS CA C 9 55.700 55.781 -0.081 2
1 116 . 1 1 A 12 12 LYS CB C 9 32.100 33.329 -1.229 2
1 120 . 1 1 A 12 12 LYS N N 9 120.100 120.909 -0.809 2
1 121 . 1 1 A 13 13 ILE H H 10 8.640 9.240 -0.600 2
1 122 . 1 1 A 13 13 ILE HA H 10 3.990 4.011 -0.021 2
1 132 . 1 1 A 13 13 ILE C C 10 174.900 177.090 -2.190 2
1 133 . 1 1 A 13 13 ILE CA C 10 61.000 63.230 -2.230 2
1 134 . 1 1 A 13 13 ILE CB C 10 37.800 38.122 -0.322 2
1 138 . 1 1 A 13 13 ILE N N 10 123.700 125.598 -1.898 2
1 139 . 1 1 A 14 14 ASP H H 11 7.600 8.201 -0.601 2
1 140 . 1 1 A 14 14 ASP HA H 11 4.350 4.412 -0.062 2
1 143 . 1 1 A 14 14 ASP C C 11 176.500 177.821 -1.321 2
1 144 . 1 1 A 14 14 ASP CA C 11 55.400 56.951 -1.551 2
1 145 . 1 1 A 14 14 ASP CB C 11 40.400 40.893 -0.493 2
1 146 . 1 1 A 14 14 ASP N N 11 115.800 121.632 -5.832 2
1 147 . 1 1 A 15 15 ASP H H 12 7.600 7.964 -0.364 2
1 148 . 1 1 A 15 15 ASP HA H 12 4.490 4.513 -0.023 2
1 151 . 1 1 A 15 15 ASP C C 12 175.600 176.044 -0.444 2
1 152 . 1 1 A 15 15 ASP CA C 12 55.500 56.116 -0.616 2
1 153 . 1 1 A 15 15 ASP CB C 12 40.900 41.242 -0.342 2
1 154 . 1 1 A 15 15 ASP N N 12 116.800 117.767 -0.967 2
1 155 . 1 1 A 16 16 ILE H H 13 7.700 7.691 0.009 2
1 156 . 1 1 A 16 16 ILE HA H 13 4.000 4.259 -0.259 2
1 166 . 1 1 A 16 16 ILE C C 13 174.100 175.101 -1.001 2
1 167 . 1 1 A 16 16 ILE CA C 13 60.500 60.642 -0.142 2
1 168 . 1 1 A 16 16 ILE CB C 13 38.200 37.956 0.244 2
1 172 . 1 1 A 16 16 ILE N N 13 120.900 119.979 0.921 2
1 173 . 1 1 A 17 17 LEU H H 14 7.970 8.712 -0.742 2
1 174 . 1 1 A 17 17 LEU HA H 14 4.370 4.589 -0.219 2
1 184 . 1 1 A 17 17 LEU CA C 14 53.800 53.345 0.455 2
1 185 . 1 1 A 17 17 LEU CB C 14 40.500 41.069 -0.569 2
1 189 . 1 1 A 17 17 LEU N N 14 127.800 129.118 -1.318 2
1 190 . 1 1 A 18 18 PRO HA H 15 4.080 4.284 -0.204 2
1 197 . 1 1 A 18 18 PRO C C 15 175.700 176.776 -1.076 2
1 198 . 1 1 A 18 18 PRO CA C 15 64.300 63.673 0.627 2
1 199 . 1 1 A 18 18 PRO CB C 15 31.600 31.768 -0.168 2
1 202 . 1 1 A 19 19 GLU H H 16 8.930 8.713 0.217 2
1 203 . 1 1 A 19 19 GLU HA H 16 3.660 3.968 -0.308 2
1 208 . 1 1 A 19 19 GLU C C 16 175.500 175.084 0.416 2
1 209 . 1 1 A 19 19 GLU CA C 16 58.300 57.494 0.806 2
1 210 . 1 1 A 19 19 GLU CB C 16 27.300 28.219 -0.919 2
1 212 . 1 1 A 19 19 GLU N N 16 113.700 116.787 -3.087 2
1 213 . 1 1 A 20 20 THR H H 17 7.790 7.304 0.486 2
1 214 . 1 1 A 20 20 THR HA H 17 5.080 4.967 0.113 2
1 220 . 1 1 A 20 20 THR C C 17 172.100 173.275 -1.175 2
1 221 . 1 1 A 20 20 THR CA C 17 60.700 60.209 0.491 2
1 222 . 1 1 A 20 20 THR CB C 17 73.100 72.034 1.066 2
1 224 . 1 1 A 20 20 THR N N 17 110.000 112.428 -2.428 2
1 225 . 1 1 A 21 21 GLY H H 18 8.080 8.795 -0.715 2
1 226 . 1 1 A 21 21 GLY HA2 H 18 3.070 4.060 -0.990 2
1 227 . 1 1 A 21 21 GLY HA3 H 18 5.270 4.162 1.108 2
1 228 . 1 1 A 21 21 GLY C C 18 173.400 172.244 1.156 2
1 229 . 1 1 A 21 21 GLY CA C 18 44.600 44.247 0.353 2
1 230 . 1 1 A 21 21 GLY N N 18 103.700 112.440 -8.740 2
1 231 . 1 1 A 22 22 VAL H H 19 8.520 9.041 -0.521 2
1 232 . 1 1 A 22 22 VAL HA H 19 4.570 4.947 -0.377 2
1 240 . 1 1 A 22 22 VAL C C 19 172.900 173.920 -1.020 2
1 241 . 1 1 A 22 22 VAL CA C 19 58.900 58.756 0.144 2
1 242 . 1 1 A 22 22 VAL CB C 19 35.900 35.337 0.563 2
1 245 . 1 1 A 22 22 VAL N N 19 112.900 118.134 -5.234 2
1 246 . 1 1 A 23 23 CYS H H 20 8.290 8.740 -0.450 2
1 247 . 1 1 A 23 23 CYS HA H 20 5.250 5.192 0.058 2
1 250 . 1 1 A 23 23 CYS C C 20 173.500 173.863 -0.363 2
1 251 . 1 1 A 23 23 CYS CA C 20 56.300 57.181 -0.881 2
1 252 . 1 1 A 23 23 CYS CB C 20 27.600 29.491 -1.891 2
1 253 . 1 1 A 23 23 CYS N N 20 120.700 120.635 0.065 2
1 254 . 1 1 A 24 24 ALA H H 21 9.590 9.425 0.165 2
1 255 . 1 1 A 24 24 ALA HA H 21 4.580 5.081 -0.501 2
1 259 . 1 1 A 24 24 ALA C C 21 174.400 175.512 -1.112 2
1 260 . 1 1 A 24 24 ALA CA C 21 50.200 50.467 -0.267 2
1 261 . 1 1 A 24 24 ALA CB C 21 23.400 23.026 0.374 2
1 262 . 1 1 A 24 24 ALA N N 21 132.500 127.090 5.410 2
1 263 . 1 1 A 25 25 LEU H H 22 8.100 8.778 -0.678 2
1 264 . 1 1 A 25 25 LEU HA H 22 4.860 4.991 -0.131 2
1 274 . 1 1 A 25 25 LEU C C 22 175.800 174.790 1.010 2
1 275 . 1 1 A 25 25 LEU CA C 22 53.800 53.557 0.243 2
1 276 . 1 1 A 25 25 LEU CB C 22 43.600 44.143 -0.543 2
1 280 . 1 1 A 25 25 LEU N N 22 120.700 119.974 0.726 2
1 281 . 1 1 A 26 26 LEU H H 23 8.660 8.765 -0.105 2
1 282 . 1 1 A 26 26 LEU HA H 23 4.410 4.596 -0.186 2
1 292 . 1 1 A 26 26 LEU C C 23 176.600 176.696 -0.096 2
1 293 . 1 1 A 26 26 LEU CA C 23 53.100 53.476 -0.376 2
1 294 . 1 1 A 26 26 LEU CB C 23 43.400 43.100 0.300 2
1 298 . 1 1 A 26 26 LEU N N 23 125.800 126.314 -0.514 2
1 299 . 1 1 A 27 27 GLY H H 24 8.910 8.901 0.009 2
1 300 . 1 1 A 27 27 GLY HA2 H 24 3.560 3.826 -0.266 2
1 301 . 1 1 A 27 27 GLY HA3 H 24 4.000 3.830 0.170 2
1 302 . 1 1 A 27 27 GLY C C 24 173.800 174.345 -0.545 2
1 303 . 1 1 A 27 27 GLY CA C 24 47.300 47.326 -0.026 2
1 304 . 1 1 A 27 27 GLY N N 24 118.300 116.034 2.266 2
1 305 . 1 1 A 28 28 ASP H H 25 8.800 8.559 0.241 2
1 306 . 1 1 A 28 28 ASP HA H 25 4.690 4.738 -0.048 2
1 309 . 1 1 A 28 28 ASP C C 25 176.100 175.614 0.486 2
1 310 . 1 1 A 28 28 ASP CA C 25 53.900 53.815 0.085 2
1 311 . 1 1 A 28 28 ASP CB C 25 41.300 42.199 -0.899 2
1 312 . 1 1 A 28 28 ASP N N 25 126.600 125.629 0.971 2
1 313 . 1 1 A 29 29 GLU H H 26 8.100 7.636 0.464 2
1 314 . 1 1 A 29 29 GLU HA H 26 4.440 4.615 -0.175 2
1 319 . 1 1 A 29 29 GLU C C 26 174.800 175.726 -0.926 2
1 320 . 1 1 A 29 29 GLU CA C 26 55.800 55.573 0.227 2
1 321 . 1 1 A 29 29 GLU CB C 26 30.600 31.101 -0.501 2
1 323 . 1 1 A 29 29 GLU N N 26 120.400 119.266 1.134 2
1 324 . 1 1 A 30 30 GLN H H 27 8.640 8.569 0.071 2
1 325 . 1 1 A 30 30 GLN HA H 27 4.510 4.695 -0.185 2
1 332 . 1 1 A 30 30 GLN C C 27 175.800 174.981 0.819 2
1 333 . 1 1 A 30 30 GLN CA C 27 55.700 55.665 0.035 2
1 334 . 1 1 A 30 30 GLN CB C 27 29.300 29.435 -0.135 2
1 336 . 1 1 A 30 30 GLN N N 27 121.300 122.700 -1.400 2
1 338 . 1 1 A 31 31 VAL H H 28 9.280 9.019 0.261 2
1 339 . 1 1 A 31 31 VAL HA H 28 4.040 4.577 -0.537 2
1 347 . 1 1 A 31 31 VAL C C 28 172.900 174.305 -1.405 2
1 348 . 1 1 A 31 31 VAL CA C 28 61.900 60.744 1.156 2
1 349 . 1 1 A 31 31 VAL CB C 28 34.800 34.051 0.749 2
1 352 . 1 1 A 31 31 VAL N N 28 128.600 124.914 3.686 2
1 353 . 1 1 A 32 32 ALA H H 29 9.440 9.330 0.110 2
1 354 . 1 1 A 32 32 ALA HA H 29 4.680 4.905 -0.225 2
1 358 . 1 1 A 32 32 ALA C C 29 175.200 175.585 -0.385 2
1 359 . 1 1 A 32 32 ALA CA C 29 50.500 50.346 0.154 2
1 360 . 1 1 A 32 32 ALA CB C 29 20.200 20.228 -0.028 2
1 361 . 1 1 A 32 32 ALA N N 29 130.400 128.818 1.582 2
1 362 . 1 1 A 33 33 ILE H H 30 8.590 8.951 -0.361 2
1 363 . 1 1 A 33 33 ILE HA H 30 4.680 4.701 -0.021 2
1 373 . 1 1 A 33 33 ILE C C 30 174.800 174.727 0.073 2
1 374 . 1 1 A 33 33 ILE CA C 30 59.900 60.123 -0.223 2
1 375 . 1 1 A 33 33 ILE CB C 30 39.300 38.505 0.795 2
1 379 . 1 1 A 33 33 ILE N N 30 120.600 123.862 -3.262 2
1 380 . 1 1 A 34 34 PHE H H 31 9.430 9.504 -0.074 2
1 381 . 1 1 A 34 34 PHE HA H 31 5.070 5.204 -0.134 2
1 386 . 1 1 A 34 34 PHE C C 31 174.800 174.567 0.233 2
1 387 . 1 1 A 34 34 PHE CA C 31 57.200 56.682 0.518 2
1 388 . 1 1 A 34 34 PHE CB C 31 43.400 41.343 2.057 2
1 391 . 1 1 A 34 34 PHE N N 31 121.800 126.434 -4.634 2
1 392 . 1 1 A 35 35 ARG H H 32 8.450 9.094 -0.644 2
1 393 . 1 1 A 35 35 ARG HA H 32 5.470 4.920 0.550 2
1 403 . 1 1 A 35 35 ARG CA C 32 52.000 52.561 -0.561 2
1 404 . 1 1 A 35 35 ARG CB C 32 33.200 31.436 1.764 2
1 407 . 1 1 A 35 35 ARG N N 32 123.000 124.840 -1.840 2
1 410 . 1 1 A 36 36 PRO HA H 33 3.910 4.559 -0.649 2
1 417 . 1 1 A 36 36 PRO C C 33 174.300 175.733 -1.433 2
1 418 . 1 1 A 36 36 PRO CA C 33 64.600 64.116 0.484 2
1 419 . 1 1 A 36 36 PRO CB C 33 32.800 32.189 0.611 2
1 422 . 1 1 A 37 37 TYR H H 34 9.000 7.740 1.260 2
1 423 . 1 1 A 37 37 TYR HA H 34 5.250 4.911 0.339 2
1 430 . 1 1 A 37 37 TYR C C 34 175.000 176.251 -1.251 2
1 431 . 1 1 A 37 37 TYR CA C 34 54.200 57.247 -3.047 2
1 432 . 1 1 A 37 37 TYR CB C 34 41.000 40.943 0.057 2
1 437 . 1 1 A 37 37 TYR N N 34 115.500 118.870 -3.370 2
1 438 . 1 1 A 38 38 HIS H H 35 8.700 8.963 -0.263 2
1 439 . 1 1 A 38 38 HIS HA H 35 4.490 4.601 -0.111 2
1 444 . 1 1 A 38 38 HIS C C 35 175.800 175.297 0.503 2
1 445 . 1 1 A 38 38 HIS CA C 35 56.400 57.888 -1.488 2
1 446 . 1 1 A 38 38 HIS CB C 35 28.600 30.140 -1.540 2
1 449 . 1 1 A 38 38 HIS N N 35 119.000 121.678 -2.678 2
1 450 . 1 1 A 39 39 SER H H 36 7.890 7.952 -0.062 2
1 451 . 1 1 A 39 39 SER HA H 36 4.770 4.568 0.202 2
1 454 . 1 1 A 39 39 SER C C 36 173.800 174.749 -0.949 2
1 455 . 1 1 A 39 39 SER CA C 36 57.000 57.399 -0.399 2
1 456 . 1 1 A 39 39 SER CB C 36 64.700 64.497 0.203 2
1 457 . 1 1 A 39 39 SER N N 36 115.500 113.848 1.652 2
1 458 . 1 1 A 40 40 ASP H H 37 8.540 8.551 -0.011 2
1 459 . 1 1 A 40 40 ASP HA H 37 4.540 4.729 -0.189 2
1 462 . 1 1 A 40 40 ASP C C 37 174.700 175.848 -1.148 2
1 463 . 1 1 A 40 40 ASP CA C 37 53.800 53.914 -0.114 2
1 464 . 1 1 A 40 40 ASP CB C 37 39.600 40.405 -0.805 2
1 465 . 1 1 A 40 40 ASP N N 37 119.400 120.275 -0.876 2
1 466 . 1 1 A 41 41 GLN H H 38 7.490 7.687 -0.197 2
1 467 . 1 1 A 41 41 GLN HA H 38 4.140 4.475 -0.335 2
1 474 . 1 1 A 41 41 GLN C C 38 175.500 175.326 0.174 2
1 475 . 1 1 A 41 41 GLN CA C 38 57.100 55.496 1.604 2
1 476 . 1 1 A 41 41 GLN CB C 38 29.400 29.671 -0.271 2
1 479 . 1 1 A 41 41 GLN N N 38 118.700 120.004 -1.304 2
1 481 . 1 1 A 42 42 VAL H H 39 7.800 8.705 -0.905 2
1 482 . 1 1 A 42 42 VAL HA H 39 5.600 5.100 0.500 2
1 490 . 1 1 A 42 42 VAL C C 39 174.200 174.276 -0.076 2
1 491 . 1 1 A 42 42 VAL CA C 39 58.200 59.519 -1.319 2
1 492 . 1 1 A 42 42 VAL CB C 39 36.500 35.347 1.153 2
1 495 . 1 1 A 42 42 VAL N N 39 116.100 118.989 -2.888 2
1 496 . 1 1 A 43 43 PHE H H 40 8.480 9.414 -0.934 2
1 497 . 1 1 A 43 43 PHE HA H 40 4.870 5.337 -0.467 2
1 504 . 1 1 A 43 43 PHE C C 40 173.900 174.660 -0.760 2
1 505 . 1 1 A 43 43 PHE CA C 40 56.800 56.315 0.485 2
1 506 . 1 1 A 43 43 PHE CB C 40 45.300 43.284 2.016 2
1 511 . 1 1 A 43 43 PHE N N 40 117.200 121.377 -4.177 2
1 512 . 1 1 A 44 44 ALA H H 41 9.520 8.924 0.596 2
1 513 . 1 1 A 44 44 ALA HA H 41 6.200 5.734 0.466 2
1 517 . 1 1 A 44 44 ALA C C 41 176.300 176.160 0.140 2
1 518 . 1 1 A 44 44 ALA CA C 41 50.900 50.599 0.301 2
1 519 . 1 1 A 44 44 ALA CB C 41 24.100 22.145 1.955 2
1 520 . 1 1 A 44 44 ALA N N 41 125.100 123.597 1.503 2
1 521 . 1 1 A 45 45 ILE H H 42 8.970 8.991 -0.021 2
1 522 . 1 1 A 45 45 ILE HA H 42 5.580 5.274 0.306 2
1 532 . 1 1 A 45 45 ILE C C 42 174.600 174.955 -0.355 2
1 533 . 1 1 A 45 45 ILE CA C 42 59.300 58.804 0.496 2
1 534 . 1 1 A 45 45 ILE CB C 42 44.300 42.024 2.276 2
1 538 . 1 1 A 45 45 ILE N N 42 117.100 118.173 -1.073 2
1 539 . 1 1 A 46 46 SER H H 43 8.460 8.695 -0.235 2
1 540 . 1 1 A 46 46 SER HA H 43 4.350 4.647 -0.297 2
1 543 . 1 1 A 46 46 SER C C 43 172.100 175.204 -3.104 2
1 544 . 1 1 A 46 46 SER CA C 43 59.500 59.274 0.226 2
1 545 . 1 1 A 46 46 SER CB C 43 64.900 63.562 1.338 2
1 546 . 1 1 A 46 46 SER N N 43 112.400 118.543 -6.143 2
1 547 . 1 1 A 47 47 ASN H H 44 7.990 9.073 -1.083 2
1 548 . 1 1 A 47 47 ASN HA H 44 4.940 4.687 0.253 2
1 553 . 1 1 A 47 47 ASN C C 44 175.800 175.077 0.723 2
1 554 . 1 1 A 47 47 ASN CA C 44 53.800 54.419 -0.619 2
1 555 . 1 1 A 47 47 ASN CB C 44 40.600 39.029 1.571 2
1 556 . 1 1 A 47 47 ASN N N 44 117.800 122.898 -5.098 2
1 558 . 1 1 A 48 48 ILE H H 45 8.190 7.746 0.444 2
1 559 . 1 1 A 48 48 ILE HA H 45 4.100 4.596 -0.496 2
1 569 . 1 1 A 48 48 ILE C C 45 175.200 174.903 0.297 2
1 570 . 1 1 A 48 48 ILE CA C 45 59.400 60.274 -0.874 2
1 571 . 1 1 A 48 48 ILE CB C 45 36.500 39.515 -3.015 2
1 575 . 1 1 A 48 48 ILE N N 45 118.300 120.122 -1.822 2
1 576 . 1 1 A 49 49 ASP H H 46 8.720 8.727 -0.007 2
1 577 . 1 1 A 49 49 ASP HA H 46 4.530 4.899 -0.369 2
1 580 . 1 1 A 49 49 ASP CA C 46 51.400 52.135 -0.735 2
1 581 . 1 1 A 49 49 ASP CB C 46 42.900 41.592 1.308 2
1 582 . 1 1 A 49 49 ASP N N 46 128.600 127.698 0.902 2
1 583 . 1 1 A 50 50 PRO HA H 47 4.500 4.485 0.015 2
1 590 . 1 1 A 50 50 PRO C C 47 177.800 177.928 -0.128 2
1 591 . 1 1 A 50 50 PRO CA C 47 63.700 64.631 -0.931 2
1 592 . 1 1 A 50 50 PRO CB C 47 32.200 32.184 0.016 2
1 595 . 1 1 A 51 51 PHE H H 48 9.270 8.004 1.266 2
1 596 . 1 1 A 51 51 PHE HA H 48 3.980 4.242 -0.262 2
1 601 . 1 1 A 51 51 PHE C C 48 177.100 177.699 -0.599 2
1 602 . 1 1 A 51 51 PHE CA C 48 61.400 60.971 0.429 2
1 603 . 1 1 A 51 51 PHE CB C 48 37.900 39.620 -1.720 2
1 606 . 1 1 A 51 51 PHE N N 48 121.800 118.086 3.714 2
1 607 . 1 1 A 52 52 PHE H H 49 7.440 8.557 -1.117 2
1 608 . 1 1 A 52 52 PHE HA H 49 4.560 4.432 0.128 2
1 616 . 1 1 A 52 52 PHE C C 49 176.100 175.330 0.770 2
1 617 . 1 1 A 52 52 PHE CA C 49 58.300 59.886 -1.586 2
1 618 . 1 1 A 52 52 PHE CB C 49 42.000 39.959 2.041 2
1 624 . 1 1 A 52 52 PHE N N 49 114.500 119.095 -4.595 2
1 625 . 1 1 A 53 53 GLU H H 50 8.590 8.142 0.448 2
1 626 . 1 1 A 53 53 GLU HA H 50 3.780 4.320 -0.540 2
1 631 . 1 1 A 53 53 GLU C C 50 175.000 175.068 -0.068 2
1 632 . 1 1 A 53 53 GLU CA C 50 57.300 57.294 0.006 2
1 633 . 1 1 A 53 53 GLU CB C 50 27.100 27.610 -0.510 2
1 635 . 1 1 A 53 53 GLU N N 50 120.300 118.329 1.970 2
1 636 . 1 1 A 54 54 SER H H 51 7.100 8.219 -1.119 2
1 637 . 1 1 A 54 54 SER HA H 51 4.910 4.905 0.005 2
1 640 . 1 1 A 54 54 SER CA C 51 56.500 57.148 -0.648 2
1 641 . 1 1 A 54 54 SER CB C 51 66.100 65.418 0.682 2
1 642 . 1 1 A 54 54 SER N N 51 110.300 115.873 -5.573 2
1 643 . 1 1 A 55 55 SER HA H 52 4.550 4.514 0.036 2
1 646 . 1 1 A 55 55 SER C C 52 173.500 174.240 -0.740 2
1 647 . 1 1 A 55 55 SER CA C 52 56.700 58.971 -2.271 2
1 648 . 1 1 A 55 55 SER CB C 52 62.100 63.998 -1.898 2
1 649 . 1 1 A 56 56 VAL H H 53 7.590 7.872 -0.282 2
1 650 . 1 1 A 56 56 VAL HA H 53 4.900 4.510 0.390 2
1 658 . 1 1 A 56 56 VAL C C 53 176.800 176.066 0.734 2
1 659 . 1 1 A 56 56 VAL CA C 53 61.300 61.000 0.300 2
1 660 . 1 1 A 56 56 VAL CB C 53 36.200 33.623 2.577 2
1 663 . 1 1 A 56 56 VAL N N 53 117.400 118.193 -0.793 2
1 664 . 1 1 A 57 57 LEU H H 54 8.690 8.823 -0.133 2
1 665 . 1 1 A 57 57 LEU HA H 54 3.930 4.431 -0.501 2
1 675 . 1 1 A 57 57 LEU C C 54 179.500 178.514 0.986 2
1 676 . 1 1 A 57 57 LEU CA C 54 60.000 55.994 4.006 2
1 677 . 1 1 A 57 57 LEU CB C 54 40.800 42.056 -1.256 2
1 681 . 1 1 A 57 57 LEU N N 54 121.100 126.498 -5.398 2
1 682 . 1 1 A 58 58 SER H H 55 9.750 8.009 1.741 2
1 683 . 1 1 A 58 58 SER HA H 55 3.800 4.391 -0.591 2
1 686 . 1 1 A 58 58 SER C C 55 174.100 175.304 -1.204 2
1 687 . 1 1 A 58 58 SER CA C 55 61.600 60.914 0.686 2
1 688 . 1 1 A 58 58 SER CB C 55 61.900 62.961 -1.061 2
1 689 . 1 1 A 58 58 SER N N 55 113.400 114.785 -1.385 2
1 690 . 1 1 A 59 59 ARG H H 56 7.510 7.688 -0.178 2
1 691 . 1 1 A 59 59 ARG HA H 56 4.560 4.540 0.020 2
1 698 . 1 1 A 59 59 ARG C C 56 177.500 175.263 2.237 2
1 699 . 1 1 A 59 59 ARG CA C 56 55.400 55.367 0.033 2
1 700 . 1 1 A 59 59 ARG CB C 56 30.400 29.992 0.408 2
1 703 . 1 1 A 59 59 ARG N N 56 118.400 119.632 -1.232 2
1 704 . 1 1 A 60 60 GLY H H 57 8.550 7.904 0.646 2
1 705 . 1 1 A 60 60 GLY HA2 H 57 4.020 4.320 -0.300 2
1 706 . 1 1 A 60 60 GLY HA3 H 57 4.020 4.341 -0.322 2
1 707 . 1 1 A 60 60 GLY C C 57 171.200 172.555 -1.355 2
1 708 . 1 1 A 60 60 GLY CA C 57 45.400 44.301 1.098 2
1 709 . 1 1 A 60 60 GLY N N 57 108.600 108.910 -0.310 2
1 710 . 1 1 A 61 61 LEU H H 58 7.740 8.627 -0.887 2
1 711 . 1 1 A 61 61 LEU HA H 58 4.640 4.959 -0.319 2
1 721 . 1 1 A 61 61 LEU C C 58 177.000 175.957 1.043 2
1 722 . 1 1 A 61 61 LEU CA C 58 54.200 53.544 0.656 2
1 723 . 1 1 A 61 61 LEU CB C 58 43.700 43.642 0.058 2
1 727 . 1 1 A 61 61 LEU N N 58 119.100 119.153 -0.053 2
1 728 . 1 1 A 62 62 ILE H H 59 8.780 8.678 0.102 2
1 729 . 1 1 A 62 62 ILE HA H 59 4.660 4.738 -0.078 2
1 739 . 1 1 A 62 62 ILE C C 59 175.500 175.016 0.484 2
1 740 . 1 1 A 62 62 ILE CA C 59 60.600 60.641 -0.041 2
1 741 . 1 1 A 62 62 ILE CB C 59 38.700 38.672 0.028 2
1 745 . 1 1 A 62 62 ILE N N 59 126.500 122.785 3.715 2
1 746 . 1 1 A 63 63 ALA H H 60 9.110 9.353 -0.243 2
1 747 . 1 1 A 63 63 ALA HA H 60 4.590 5.167 -0.577 2
1 751 . 1 1 A 63 63 ALA C C 60 175.000 175.254 -0.254 2
1 752 . 1 1 A 63 63 ALA CA C 60 51.300 50.290 1.010 2
1 753 . 1 1 A 63 63 ALA CB C 60 23.100 22.889 0.211 2
1 754 . 1 1 A 63 63 ALA N N 60 129.300 129.699 -0.399 2
1 755 . 1 1 A 64 64 GLU H H 61 8.460 8.784 -0.324 2
1 756 . 1 1 A 64 64 GLU HA H 61 5.070 4.935 0.135 2
1 761 . 1 1 A 64 64 GLU C C 61 176.000 176.029 -0.029 2
1 762 . 1 1 A 64 64 GLU CA C 61 55.100 55.778 -0.677 2
1 763 . 1 1 A 64 64 GLU CB C 61 31.200 31.323 -0.123 2
1 765 . 1 1 A 64 64 GLU N N 61 121.500 121.634 -0.134 2
1 766 . 1 1 A 65 65 HIS H H 62 9.310 9.100 0.210 2
1 767 . 1 1 A 65 65 HIS HA H 62 4.740 4.554 0.186 2
1 772 . 1 1 A 65 65 HIS CA C 62 56.400 57.284 -0.884 2
1 773 . 1 1 A 65 65 HIS CB C 62 32.600 31.363 1.237 2
1 776 . 1 1 A 65 65 HIS N N 62 123.500 125.803 -2.303 2
1 777 . 1 1 A 66 66 GLN HA H 63 3.870 4.235 -0.365 2
1 784 . 1 1 A 66 66 GLN C C 63 176.000 175.735 0.265 2
1 785 . 1 1 A 66 66 GLN CA C 63 56.600 55.543 1.057 2
1 786 . 1 1 A 66 66 GLN CB C 63 26.800 28.888 -2.088 2
1 790 . 1 1 A 67 67 GLY H H 64 8.970 8.586 0.384 2
1 791 . 1 1 A 67 67 GLY HA2 H 64 3.680 3.992 -0.312 2
1 792 . 1 1 A 67 67 GLY HA3 H 64 4.140 4.000 0.140 2
1 793 . 1 1 A 67 67 GLY C C 64 173.800 174.060 -0.260 2
1 794 . 1 1 A 67 67 GLY CA C 64 45.600 45.418 0.182 2
1 795 . 1 1 A 67 67 GLY N N 64 104.200 110.368 -6.168 2
1 796 . 1 1 A 68 68 GLU H H 65 7.850 8.057 -0.207 2
1 797 . 1 1 A 68 68 GLU HA H 65 4.810 4.674 0.136 2
1 802 . 1 1 A 68 68 GLU C C 65 174.400 175.694 -1.294 2
1 803 . 1 1 A 68 68 GLU CA C 65 54.100 55.249 -1.149 2
1 804 . 1 1 A 68 68 GLU CB C 65 34.000 31.629 2.371 2
1 806 . 1 1 A 68 68 GLU N N 65 118.800 120.499 -1.699 2
1 807 . 1 1 A 69 69 LEU H H 66 8.030 8.630 -0.600 2
1 808 . 1 1 A 69 69 LEU HA H 66 4.920 4.945 -0.025 2
1 818 . 1 1 A 69 69 LEU C C 66 177.100 175.691 1.409 2
1 819 . 1 1 A 69 69 LEU CA C 66 54.300 53.585 0.715 2
1 820 . 1 1 A 69 69 LEU CB C 66 44.500 42.523 1.977 2
1 824 . 1 1 A 69 69 LEU N N 66 119.000 123.778 -4.778 2
1 825 . 1 1 A 70 70 TRP H H 67 8.980 9.321 -0.341 2
1 826 . 1 1 A 70 70 TRP HA H 67 5.140 5.393 -0.253 2
1 835 . 1 1 A 70 70 TRP C C 67 174.400 175.156 -0.756 2
1 836 . 1 1 A 70 70 TRP CA C 67 55.100 55.699 -0.599 2
1 837 . 1 1 A 70 70 TRP CB C 67 31.800 32.422 -0.622 2
1 843 . 1 1 A 70 70 TRP N N 67 122.200 125.129 -2.929 2
1 845 . 1 1 A 71 71 VAL H H 68 9.490 9.247 0.243 2
1 846 . 1 1 A 71 71 VAL HA H 68 4.990 4.883 0.107 2
1 854 . 1 1 A 71 71 VAL C C 68 173.000 173.999 -0.999 2
1 855 . 1 1 A 71 71 VAL CA C 68 58.500 59.990 -1.490 2
1 856 . 1 1 A 71 71 VAL CB C 68 34.300 33.584 0.716 2
1 859 . 1 1 A 71 71 VAL N N 68 120.900 123.400 -2.500 2
1 860 . 1 1 A 72 72 ALA H H 69 8.550 9.386 -0.836 2
1 861 . 1 1 A 72 72 ALA HA H 69 5.280 5.477 -0.197 2
1 865 . 1 1 A 72 72 ALA C C 69 178.000 175.923 2.077 2
1 866 . 1 1 A 72 72 ALA CA C 69 49.200 50.323 -1.123 2
1 867 . 1 1 A 72 72 ALA CB C 69 19.700 20.922 -1.222 2
1 868 . 1 1 A 72 72 ALA N N 69 130.000 131.441 -1.441 2
1 869 . 1 1 A 73 73 SER H H 70 9.470 9.055 0.415 2
1 870 . 1 1 A 73 73 SER HA H 70 4.540 4.761 -0.221 2
1 873 . 1 1 A 73 73 SER CA C 70 55.700 56.276 -0.576 2
1 874 . 1 1 A 73 73 SER CB C 70 64.400 63.560 0.840 2
1 875 . 1 1 A 73 73 SER N N 70 118.100 120.732 -2.632 2
1 876 . 1 1 A 74 74 PRO HA H 71 4.540 4.489 0.051 2
1 883 . 1 1 A 74 74 PRO C C 71 176.700 177.597 -0.897 2
1 884 . 1 1 A 74 74 PRO CA C 71 64.000 64.005 -0.005 2
1 885 . 1 1 A 74 74 PRO CB C 71 32.300 31.934 0.366 2
1 888 . 1 1 A 75 75 LEU H H 72 7.850 8.054 -0.204 2
1 889 . 1 1 A 75 75 LEU HA H 72 4.330 4.090 0.240 2
1 899 . 1 1 A 75 75 LEU CA C 72 56.200 57.323 -1.123 2
1 900 . 1 1 A 75 75 LEU CB C 72 38.500 41.992 -3.492 2
1 904 . 1 1 A 75 75 LEU N N 72 119.300 118.571 0.729 2
1 905 . 1 1 A 76 76 LYS HA H 73 4.470 4.514 -0.045 2
1 914 . 1 1 A 76 76 LYS C C 73 176.600 175.886 0.714 2
1 915 . 1 1 A 76 76 LYS CA C 73 54.600 55.937 -1.337 2
1 916 . 1 1 A 76 76 LYS CB C 73 31.700 33.619 -1.919 2
1 920 . 1 1 A 77 77 LYS H H 74 7.240 7.906 -0.666 2
1 921 . 1 1 A 77 77 LYS HA H 74 4.440 4.175 0.265 2
1 930 . 1 1 A 77 77 LYS C C 74 175.500 175.211 0.289 2
1 931 . 1 1 A 77 77 LYS CA C 74 57.800 56.507 1.293 2
1 932 . 1 1 A 77 77 LYS CB C 74 28.600 31.546 -2.946 2
1 936 . 1 1 A 77 77 LYS N N 74 110.900 118.692 -7.792 2
1 937 . 1 1 A 78 78 GLN H H 75 8.080 7.789 0.291 2
1 938 . 1 1 A 78 78 GLN HA H 75 4.030 4.446 -0.416 2
1 945 . 1 1 A 78 78 GLN C C 75 174.500 174.836 -0.336 2
1 946 . 1 1 A 78 78 GLN CA C 75 58.400 55.374 3.026 2
1 947 . 1 1 A 78 78 GLN CB C 75 27.400 30.172 -2.772 2
1 949 . 1 1 A 78 78 GLN N N 75 119.100 119.705 -0.605 2
1 951 . 1 1 A 79 79 ARG H H 76 9.800 8.701 1.099 2
1 952 . 1 1 A 79 79 ARG HA H 76 5.310 5.268 0.042 2
1 960 . 1 1 A 79 79 ARG C C 76 175.800 174.992 0.809 2
1 961 . 1 1 A 79 79 ARG CA C 76 55.300 54.860 0.440 2
1 962 . 1 1 A 79 79 ARG CB C 76 33.100 32.507 0.593 2
1 965 . 1 1 A 79 79 ARG N N 76 122.800 123.570 -0.770 2
1 967 . 1 1 A 80 80 PHE H H 77 9.220 9.522 -0.302 2
1 968 . 1 1 A 80 80 PHE HA H 77 5.630 5.070 0.560 2
1 976 . 1 1 A 80 80 PHE C C 77 175.300 174.536 0.764 2
1 977 . 1 1 A 80 80 PHE CA C 77 55.800 56.515 -0.715 2
1 978 . 1 1 A 80 80 PHE CB C 77 41.300 42.006 -0.706 2
1 984 . 1 1 A 80 80 PHE N N 77 119.400 122.922 -3.522 2
1 985 . 1 1 A 81 81 ARG H H 78 9.870 8.928 0.942 2
1 986 . 1 1 A 81 81 ARG HA H 78 3.490 3.672 -0.182 2
1 996 . 1 1 A 81 81 ARG C C 78 177.400 175.970 1.430 2
1 997 . 1 1 A 81 81 ARG CA C 78 58.100 55.393 2.707 2
1 998 . 1 1 A 81 81 ARG CB C 78 30.500 29.295 1.205 2
1 1001 . 1 1 A 81 81 ARG N N 78 130.100 124.462 5.638 2
1 1004 . 1 1 A 82 82 LEU H H 79 7.860 8.163 -0.303 2
1 1005 . 1 1 A 82 82 LEU HA H 79 3.790 3.947 -0.157 2
1 1015 . 1 1 A 82 82 LEU C C 79 177.500 178.314 -0.814 2
1 1016 . 1 1 A 82 82 LEU CA C 79 57.600 57.041 0.559 2
1 1017 . 1 1 A 82 82 LEU CB C 79 39.600 41.302 -1.702 2
1 1021 . 1 1 A 82 82 LEU N N 79 125.300 126.289 -0.989 2
1 1022 . 1 1 A 83 83 SER H H 80 8.000 7.677 0.323 2
1 1023 . 1 1 A 83 83 SER HA H 80 4.200 3.476 0.724 2
1 1026 . 1 1 A 83 83 SER C C 80 176.600 175.039 1.561 2
1 1027 . 1 1 A 83 83 SER CA C 80 60.100 61.096 -0.996 2
1 1028 . 1 1 A 83 83 SER CB C 80 62.500 62.674 -0.174 2
1 1029 . 1 1 A 83 83 SER N N 80 109.700 114.550 -4.850 2
1 1030 . 1 1 A 84 84 ASP H H 81 7.100 7.724 -0.624 2
1 1031 . 1 1 A 84 84 ASP HA H 81 4.090 4.407 -0.317 2
1 1034 . 1 1 A 84 84 ASP C C 81 175.900 176.321 -0.421 2
1 1035 . 1 1 A 84 84 ASP CA C 81 53.500 54.015 -0.515 2
1 1036 . 1 1 A 84 84 ASP CB C 81 41.900 42.393 -0.493 2
1 1037 . 1 1 A 84 84 ASP N N 81 117.300 117.842 -0.542 2
1 1038 . 1 1 A 85 85 GLY H H 82 8.860 8.032 0.828 2
1 1039 . 1 1 A 85 85 GLY HA2 H 82 3.590 4.005 -0.415 2
1 1040 . 1 1 A 85 85 GLY HA3 H 82 4.810 4.028 0.782 2
1 1041 . 1 1 A 85 85 GLY C C 82 173.700 174.408 -0.708 2
1 1042 . 1 1 A 85 85 GLY CA C 82 45.900 45.349 0.551 2
1 1043 . 1 1 A 85 85 GLY N N 82 111.300 108.113 3.187 2
1 1044 . 1 1 A 86 86 LEU H H 83 7.430 7.649 -0.219 2
1 1045 . 1 1 A 86 86 LEU HA H 83 4.290 4.490 -0.200 2
1 1055 . 1 1 A 86 86 LEU C C 83 176.600 175.617 0.983 2
1 1056 . 1 1 A 86 86 LEU CA C 83 56.200 54.872 1.328 2
1 1057 . 1 1 A 86 86 LEU CB C 83 43.100 42.980 0.120 2
1 1061 . 1 1 A 86 86 LEU N N 83 120.800 122.614 -1.814 2
1 1062 . 1 1 A 87 87 CYS H H 84 8.080 8.686 -0.606 2
1 1063 . 1 1 A 87 87 CYS HA H 84 5.290 4.748 0.542 2
1 1066 . 1 1 A 87 87 CYS C C 84 175.300 175.443 -0.143 2
1 1067 . 1 1 A 87 87 CYS CA C 84 56.600 58.183 -1.583 2
1 1068 . 1 1 A 87 87 CYS CB C 84 27.800 29.004 -1.204 2
1 1069 . 1 1 A 87 87 CYS N N 84 126.300 125.786 0.514 2
1 1070 . 1 1 A 88 88 MET H H 85 8.760 8.860 -0.100 2
1 1071 . 1 1 A 88 88 MET HA H 85 3.630 4.233 -0.603 2
1 1079 . 1 1 A 88 88 MET C C 85 177.500 177.693 -0.193 2
1 1080 . 1 1 A 88 88 MET CA C 85 58.800 58.046 0.754 2
1 1081 . 1 1 A 88 88 MET CB C 85 33.800 32.358 1.442 2
1 1084 . 1 1 A 88 88 MET N N 85 130.500 125.961 4.539 2
1 1085 . 1 1 A 89 89 GLU H H 86 9.160 7.736 1.424 2
1 1086 . 1 1 A 89 89 GLU HA H 86 3.770 4.145 -0.375 2
1 1091 . 1 1 A 89 89 GLU C C 86 177.500 177.473 0.027 2
1 1092 . 1 1 A 89 89 GLU CA C 86 60.900 58.307 2.593 2
1 1093 . 1 1 A 89 89 GLU CB C 86 29.300 29.915 -0.615 2
1 1095 . 1 1 A 89 89 GLU N N 86 119.200 118.501 0.699 2
1 1096 . 1 1 A 90 90 ASP H H 87 7.080 7.808 -0.728 2
1 1097 . 1 1 A 90 90 ASP HA H 87 4.590 4.761 -0.171 2
1 1100 . 1 1 A 90 90 ASP CA C 87 54.700 53.993 0.707 2
1 1101 . 1 1 A 90 90 ASP CB C 87 41.800 41.079 0.721 2
1 1102 . 1 1 A 90 90 ASP N N 87 115.800 118.951 -3.151 2
1 1103 . 1 1 A 91 91 GLU H H 88 9.340 8.120 1.220 2
1 1104 . 1 1 A 91 91 GLU HA H 88 4.290 4.199 0.091 2
1 1109 . 1 1 A 91 91 GLU C C 88 178.900 178.400 0.500 2
1 1110 . 1 1 A 91 91 GLU CA C 88 59.000 59.531 -0.531 2
1 1111 . 1 1 A 91 91 GLU CB C 88 29.100 29.160 -0.060 2
1 1113 . 1 1 A 91 91 GLU N N 88 127.400 119.875 7.525 2
1 1114 . 1 1 A 92 92 GLN H H 89 8.920 8.121 0.799 2
1 1115 . 1 1 A 92 92 GLN HA H 89 4.170 3.990 0.180 2
1 1122 . 1 1 A 92 92 GLN C C 89 176.600 176.989 -0.389 2
1 1123 . 1 1 A 92 92 GLN CA C 89 57.800 58.476 -0.676 2
1 1124 . 1 1 A 92 92 GLN CB C 89 28.400 28.396 0.004 2
1 1127 . 1 1 A 92 92 GLN N N 89 120.400 118.558 1.842 2
1 1129 . 1 1 A 93 93 PHE H H 90 8.150 8.320 -0.170 2
1 1130 . 1 1 A 93 93 PHE HA H 90 4.430 4.665 -0.235 2
1 1138 . 1 1 A 93 93 PHE C C 90 172.600 175.591 -2.991 2
1 1139 . 1 1 A 93 93 PHE CA C 90 57.800 58.544 -0.744 2
1 1140 . 1 1 A 93 93 PHE CB C 90 39.300 40.189 -0.889 2
1 1146 . 1 1 A 93 93 PHE N N 90 119.700 117.068 2.632 2
1 1147 . 1 1 A 94 94 SER H H 91 7.020 8.181 -1.161 2
1 1148 . 1 1 A 94 94 SER HA H 91 4.870 4.699 0.171 2
1 1152 . 1 1 A 94 94 SER C C 91 174.100 174.065 0.035 2
1 1153 . 1 1 A 94 94 SER CA C 91 60.900 60.149 0.751 2
1 1154 . 1 1 A 94 94 SER CB C 91 63.600 62.695 0.905 2
1 1155 . 1 1 A 94 94 SER N N 91 112.700 114.184 -1.484 2
1 1156 . 1 1 A 95 95 VAL H H 92 9.120 8.098 1.022 2
1 1157 . 1 1 A 95 95 VAL HA H 92 4.810 4.704 0.106 2
1 1165 . 1 1 A 95 95 VAL C C 92 175.700 175.028 0.672 2
1 1166 . 1 1 A 95 95 VAL CA C 92 59.200 60.185 -0.985 2
1 1167 . 1 1 A 95 95 VAL CB C 92 35.700 34.052 1.648 2
1 1170 . 1 1 A 95 95 VAL N N 92 116.900 119.023 -2.123 2
1 1171 . 1 1 A 96 96 LYS H H 93 8.390 8.348 0.042 2
1 1172 . 1 1 A 96 96 LYS HA H 93 4.010 4.479 -0.469 2
1 1181 . 1 1 A 96 96 LYS C C 93 174.800 175.589 -0.789 2
1 1182 . 1 1 A 96 96 LYS CA C 93 57.700 55.573 2.127 2
1 1183 . 1 1 A 96 96 LYS CB C 93 34.000 33.274 0.726 2
1 1187 . 1 1 A 96 96 LYS N N 93 120.300 122.588 -2.288 2
1 1188 . 1 1 A 97 97 HIS H H 94 8.030 8.727 -0.697 2
1 1189 . 1 1 A 97 97 HIS HA H 94 5.060 5.061 -0.001 2
1 1194 . 1 1 A 97 97 HIS C C 94 172.600 173.160 -0.560 2
1 1195 . 1 1 A 97 97 HIS CA C 94 54.700 54.949 -0.249 2
1 1196 . 1 1 A 97 97 HIS CB C 94 31.400 31.741 -0.341 2
1 1199 . 1 1 A 97 97 HIS N N 94 121.000 126.203 -5.203 2
1 1200 . 1 1 A 98 98 TYR H H 95 7.610 9.095 -1.485 2
1 1201 . 1 1 A 98 98 TYR HA H 95 4.410 4.735 -0.325 2
1 1208 . 1 1 A 98 98 TYR C C 95 173.600 175.478 -1.878 2
1 1209 . 1 1 A 98 98 TYR CA C 95 56.400 56.775 -0.375 2
1 1210 . 1 1 A 98 98 TYR CB C 95 40.900 41.230 -0.330 2
1 1215 . 1 1 A 98 98 TYR N N 95 121.800 125.410 -3.610 2
1 1216 . 1 1 A 99 99 GLU H H 96 8.480 8.663 -0.183 2
1 1217 . 1 1 A 99 99 GLU HA H 96 4.420 4.747 -0.327 2
1 1222 . 1 1 A 99 99 GLU C C 96 174.300 175.922 -1.622 2
1 1223 . 1 1 A 99 99 GLU CA C 96 56.600 56.324 0.276 2
1 1224 . 1 1 A 99 99 GLU CB C 96 30.700 30.591 0.109 2
1 1226 . 1 1 A 99 99 GLU N N 96 122.200 122.293 -0.093 2
1 1227 . 1 1 A 100 100 ALA H H 97 8.420 8.918 -0.498 2
1 1228 . 1 1 A 100 100 ALA HA H 97 5.940 5.952 -0.012 2
1 1232 . 1 1 A 100 100 ALA C C 97 176.100 175.934 0.166 2
1 1233 . 1 1 A 100 100 ALA CA C 97 50.400 50.296 0.104 2
1 1234 . 1 1 A 100 100 ALA CB C 97 23.700 22.871 0.829 2
1 1235 . 1 1 A 100 100 ALA N N 97 124.100 127.192 -3.092 2
1 1236 . 1 1 A 101 101 ARG H H 98 9.000 9.054 -0.054 2
1 1237 . 1 1 A 101 101 ARG HA H 98 4.640 5.007 -0.367 2
1 1245 . 1 1 A 101 101 ARG C C 98 172.100 174.046 -1.946 2
1 1246 . 1 1 A 101 101 ARG CA C 98 54.200 54.375 -0.175 2
1 1247 . 1 1 A 101 101 ARG CB C 98 32.800 33.861 -1.061 2
1 1250 . 1 1 A 101 101 ARG N N 98 118.400 118.458 -0.058 2
1 1252 . 1 1 A 102 102 VAL H H 99 8.330 8.681 -0.351 2
1 1253 . 1 1 A 102 102 VAL HA H 99 4.720 4.598 0.122 2
1 1261 . 1 1 A 102 102 VAL C C 99 175.200 174.215 0.985 2
1 1262 . 1 1 A 102 102 VAL CA C 99 61.100 61.663 -0.563 2
1 1263 . 1 1 A 102 102 VAL CB C 99 32.700 32.137 0.563 2
1 1266 . 1 1 A 102 102 VAL N N 99 119.500 122.628 -3.128 2
1 1267 . 1 1 A 103 103 LYS H H 100 9.070 9.179 -0.109 2
1 1268 . 1 1 A 103 103 LYS HA H 100 4.460 4.512 -0.052 2
1 1277 . 1 1 A 103 103 LYS C C 100 175.700 175.840 -0.140 2
1 1278 . 1 1 A 103 103 LYS CA C 100 54.300 55.118 -0.818 2
1 1279 . 1 1 A 103 103 LYS CB C 100 34.800 33.689 1.111 2
1 1283 . 1 1 A 103 103 LYS N N 100 130.200 128.214 1.986 2
1 1284 . 1 1 A 104 104 ASP H H 101 9.560 9.251 0.309 2
1 1285 . 1 1 A 104 104 ASP HA H 101 4.210 4.305 -0.095 2
1 1288 . 1 1 A 104 104 ASP C C 101 175.800 175.858 -0.058 2
1 1289 . 1 1 A 104 104 ASP CA C 101 55.500 55.143 0.357 2
1 1290 . 1 1 A 104 104 ASP CB C 101 39.700 39.359 0.341 2
1 1291 . 1 1 A 104 104 ASP N N 101 130.600 127.093 3.507 2
1 1292 . 1 1 A 105 105 GLY H H 102 8.260 8.399 -0.139 2
1 1293 . 1 1 A 105 105 GLY HA2 H 102 3.450 3.880 -0.430 2
1 1294 . 1 1 A 105 105 GLY HA3 H 102 4.170 3.882 0.288 2
1 1295 . 1 1 A 105 105 GLY C C 102 173.300 173.715 -0.415 2
1 1296 . 1 1 A 105 105 GLY CA C 102 45.300 45.200 0.100 2
1 1297 . 1 1 A 105 105 GLY N N 102 101.900 105.566 -3.666 2
1 1298 . 1 1 A 106 106 VAL H H 103 7.900 8.040 -0.140 2
1 1299 . 1 1 A 106 106 VAL HA H 103 4.270 4.280 -0.010 2
1 1307 . 1 1 A 106 106 VAL C C 103 175.100 174.819 0.281 2
1 1308 . 1 1 A 106 106 VAL CA C 103 62.100 61.560 0.540 2
1 1309 . 1 1 A 106 106 VAL CB C 103 34.100 33.442 0.658 2
1 1312 . 1 1 A 106 106 VAL N N 103 123.800 122.221 1.579 2
1 1313 . 1 1 A 107 107 VAL H H 104 9.290 9.243 0.047 2
1 1314 . 1 1 A 107 107 VAL HA H 104 4.220 4.253 -0.033 2
1 1322 . 1 1 A 107 107 VAL C C 104 174.300 175.423 -1.123 2
1 1323 . 1 1 A 107 107 VAL CA C 104 62.700 62.774 -0.074 2
1 1324 . 1 1 A 107 107 VAL CB C 104 31.500 31.455 0.045 2
1 1327 . 1 1 A 107 107 VAL N N 104 127.300 128.215 -0.915 2
1 1328 . 1 1 A 108 108 GLN H H 105 9.410 9.182 0.228 2
1 1329 . 1 1 A 108 108 GLN HA H 105 5.720 5.334 0.386 2
1 1336 . 1 1 A 108 108 GLN C C 105 174.900 174.785 0.115 2
1 1337 . 1 1 A 108 108 GLN CA C 105 53.400 54.590 -1.190 2
1 1338 . 1 1 A 108 108 GLN CB C 105 34.600 31.864 2.736 2
1 1341 . 1 1 A 108 108 GLN N N 105 126.500 127.212 -0.712 2
1 1343 . 1 1 A 109 109 LEU H H 106 8.530 9.208 -0.678 2
1 1344 . 1 1 A 109 109 LEU HA H 106 5.760 5.330 0.430 2
1 1354 . 1 1 A 109 109 LEU C C 106 176.300 175.064 1.236 2
1 1355 . 1 1 A 109 109 LEU CA C 106 52.800 53.409 -0.609 2
1 1356 . 1 1 A 109 109 LEU CB C 106 48.900 44.740 4.160 2
1 1360 . 1 1 A 109 109 LEU N N 106 118.900 124.280 -5.380 2
1 1361 . 1 1 A 110 110 ARG H H 107 8.310 9.172 -0.862 2
1 1362 . 1 1 A 110 110 ARG HA H 107 4.230 4.794 -0.564 2
1 1370 . 1 1 A 110 110 ARG C C 107 174.800 175.147 -0.347 2
1 1371 . 1 1 A 110 110 ARG CA C 107 55.700 53.959 1.741 2
1 1372 . 1 1 A 110 110 ARG CB C 107 31.900 31.533 0.367 2
1 1375 . 1 1 A 110 110 ARG N N 107 119.900 124.739 -4.839 2
1 1377 . 1 1 A 111 111 GLY H H 108 8.390 8.492 -0.102 2
1 1378 . 1 1 A 111 111 GLY HA2 H 108 3.880 4.223 -0.343 2
1 1379 . 1 1 A 111 111 GLY HA3 H 108 4.130 4.363 -0.233 2
1 1380 . 1 1 A 111 111 GLY C C 108 173.500 173.363 0.137 2
1 1381 . 1 1 A 111 111 GLY CA C 108 45.000 45.396 -0.396 2
1 1382 . 1 1 A 111 111 GLY N N 108 110.000 112.921 -2.921 2
1 1383 . 1 1 A 112 112 GLY H H 109 8.280 8.499 -0.219 2
1 1384 . 1 1 A 112 112 GLY HA2 H 109 3.850 4.030 -0.180 2
1 1385 . 1 1 A 112 112 GLY HA3 H 109 3.950 4.049 -0.099 2
1 1386 . 1 1 A 112 112 GLY C C 109 173.200 173.531 -0.331 2
1 1387 . 1 1 A 112 112 GLY CA C 109 45.100 45.799 -0.699 2
1 1388 . 1 1 A 112 112 GLY N N 109 108.400 109.986 -1.586 2
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