data_15415_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15415
_Entry.PDB_ID 2JTM
_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 1 . 1 1 1 A 3 3 SER HA H 3 4.520 4.618 -0.098 1
1 4 . 1 1 1 A 3 3 SER C C 3 174.700 175.150 -0.450 1
1 5 . 1 1 1 A 3 3 SER CA C 3 58.400 59.567 -1.167 1
1 6 . 1 1 1 A 3 3 SER CB C 3 64.000 63.459 0.541 1
1 7 . 1 1 1 A 4 4 GLY H H 4 8.350 8.421 -0.071 1
1 8 . 1 1 1 A 4 4 GLY HA2 H 4 3.910 4.152 -0.242 1
1 9 . 1 1 1 A 4 4 GLY HA3 H 4 4.050 4.155 -0.105 1
1 10 . 1 1 1 A 4 4 GLY C C 4 173.800 173.125 0.675 1
1 11 . 1 1 1 A 4 4 GLY CA C 4 45.300 45.849 -0.549 1
1 12 . 1 1 1 A 4 4 GLY N N 4 110.300 112.935 -2.635 1
1 13 . 1 1 1 A 5 5 LYS H H 5 8.110 8.266 -0.156 1
1 14 . 1 1 1 A 5 5 LYS HA H 5 4.310 4.952 -0.642 1
1 23 . 1 1 1 A 5 5 LYS C C 5 175.700 175.280 0.420 1
1 24 . 1 1 1 A 5 5 LYS CA C 5 56.100 54.350 1.750 1
1 25 . 1 1 1 A 5 5 LYS CB C 5 33.200 35.755 -2.555 1
1 29 . 1 1 1 A 5 5 LYS N N 5 120.500 121.040 -0.540 1
1 30 . 1 1 1 A 6 6 LYS H H 6 7.980 8.679 -0.699 1
1 31 . 1 1 1 A 6 6 LYS HA H 6 4.730 5.067 -0.337 1
1 40 . 1 1 1 A 6 6 LYS C C 6 174.800 174.622 0.178 1
1 41 . 1 1 1 A 6 6 LYS CA C 6 54.000 52.460 1.540 1
1 42 . 1 1 1 A 6 6 LYS CB C 6 33.300 35.504 -2.204 1
1 46 . 1 1 1 A 6 6 LYS N N 6 121.900 120.750 1.150 1
1 47 . 1 1 1 A 7 7 PRO HA H 7 4.610 5.094 -0.484 1
1 54 . 1 1 1 A 7 7 PRO C C 7 175.900 175.396 0.504 1
1 55 . 1 1 1 A 7 7 PRO CA C 7 62.500 62.477 0.023 1
1 56 . 1 1 1 A 7 7 PRO CB C 7 32.600 32.642 -0.042 1
1 59 . 1 1 1 A 8 8 VAL H H 8 9.040 8.852 0.188 1
1 60 . 1 1 1 A 8 8 VAL HA H 8 4.430 4.898 -0.468 1
1 68 . 1 1 1 A 8 8 VAL C C 8 173.900 173.783 0.117 1
1 69 . 1 1 1 A 8 8 VAL CA C 8 60.200 59.713 0.487 1
1 70 . 1 1 1 A 8 8 VAL CB C 8 35.600 35.852 -0.252 1
1 73 . 1 1 1 A 8 8 VAL N N 8 119.900 121.237 -1.337 1
1 74 . 1 1 1 A 9 9 LYS H H 9 8.390 8.576 -0.186 1
1 75 . 1 1 1 A 9 9 LYS HA H 9 4.610 4.464 0.146 1
1 84 . 1 1 1 A 9 9 LYS C C 9 175.500 175.232 0.268 1
1 85 . 1 1 1 A 9 9 LYS CA C 9 56.800 56.468 0.332 1
1 86 . 1 1 1 A 9 9 LYS CB C 9 31.700 32.813 -1.113 1
1 90 . 1 1 1 A 9 9 LYS N N 9 125.800 128.012 -2.212 1
1 91 . 1 1 1 A 10 10 VAL H H 10 8.740 8.793 -0.053 1
1 92 . 1 1 1 A 10 10 VAL HA H 10 4.040 4.614 -0.574 1
1 100 . 1 1 1 A 10 10 VAL C C 10 173.600 174.147 -0.547 1
1 101 . 1 1 1 A 10 10 VAL CA C 10 58.600 59.164 -0.564 1
1 102 . 1 1 1 A 10 10 VAL CB C 10 35.200 35.322 -0.122 1
1 105 . 1 1 1 A 10 10 VAL N N 10 120.700 126.072 -5.372 1
1 106 . 1 1 1 A 11 11 LYS H H 11 7.320 8.192 -0.872 1
1 107 . 1 1 1 A 11 11 LYS HA H 11 5.000 4.667 0.333 1
1 116 . 1 1 1 A 11 11 LYS C C 11 176.600 177.071 -0.471 1
1 117 . 1 1 1 A 11 11 LYS CA C 11 54.800 56.298 -1.498 1
1 118 . 1 1 1 A 11 11 LYS CB C 11 33.700 33.629 0.071 1
1 122 . 1 1 1 A 11 11 LYS N N 11 120.600 126.311 -5.711 1
1 123 . 1 1 1 A 12 12 THR H H 12 8.950 9.364 -0.414 1
1 124 . 1 1 1 A 12 12 THR HA H 12 3.700 4.366 -0.666 1
1 129 . 1 1 1 A 12 12 THR C C 12 175.100 174.515 0.585 1
1 130 . 1 1 1 A 12 12 THR CA C 12 59.700 59.151 0.549 1
1 131 . 1 1 1 A 12 12 THR CB C 12 67.700 68.992 -1.292 1
1 133 . 1 1 1 A 12 12 THR N N 12 115.400 115.166 0.234 1
1 134 . 1 1 1 A 13 13 PRO HA H 13 4.180 4.296 -0.116 1
1 141 . 1 1 1 A 13 13 PRO C C 13 177.000 177.229 -0.229 1
1 142 . 1 1 1 A 13 13 PRO CA C 13 65.000 64.186 0.814 1
1 143 . 1 1 1 A 13 13 PRO CB C 13 31.400 31.518 -0.118 1
1 146 . 1 1 1 A 14 14 ALA H H 14 7.240 7.026 0.214 1
1 147 . 1 1 1 A 14 14 ALA HA H 14 4.310 4.221 0.089 1
1 151 . 1 1 1 A 14 14 ALA C C 14 177.900 177.511 0.389 1
1 152 . 1 1 1 A 14 14 ALA CA C 14 52.200 52.089 0.111 1
1 153 . 1 1 1 A 14 14 ALA CB C 14 19.000 19.365 -0.365 1
1 154 . 1 1 1 A 14 14 ALA N N 14 116.100 117.631 -1.531 1
1 155 . 1 1 1 A 15 15 GLY H H 15 8.310 7.891 0.419 1
1 156 . 1 1 1 A 15 15 GLY HA2 H 15 3.520 3.901 -0.381 1
1 157 . 1 1 1 A 15 15 GLY HA3 H 15 4.220 3.916 0.304 1
1 158 . 1 1 1 A 15 15 GLY C C 15 174.000 173.865 0.135 1
1 159 . 1 1 1 A 15 15 GLY CA C 15 45.300 45.411 -0.111 1
1 160 . 1 1 1 A 15 15 GLY N N 15 107.000 106.525 0.475 1
1 161 . 1 1 1 A 16 16 LYS H H 16 6.960 7.933 -0.973 1
1 162 . 1 1 1 A 16 16 LYS HA H 16 4.490 4.663 -0.173 1
1 171 . 1 1 1 A 16 16 LYS C C 16 175.400 175.503 -0.103 1
1 172 . 1 1 1 A 16 16 LYS CA C 16 54.800 54.415 0.385 1
1 173 . 1 1 1 A 16 16 LYS CB C 16 33.900 34.462 -0.562 1
1 177 . 1 1 1 A 16 16 LYS N N 16 119.200 119.288 -0.088 1
1 178 . 1 1 1 A 17 17 GLU H H 17 8.520 8.447 0.073 1
1 179 . 1 1 1 A 17 17 GLU HA H 17 4.990 5.135 -0.145 1
1 184 . 1 1 1 A 17 17 GLU C C 17 175.800 174.889 0.911 1
1 185 . 1 1 1 A 17 17 GLU CA C 17 55.900 54.919 0.981 1
1 186 . 1 1 1 A 17 17 GLU CB C 17 30.900 32.092 -1.192 1
1 188 . 1 1 1 A 17 17 GLU N N 17 122.200 119.210 2.990 1
1 189 . 1 1 1 A 18 18 ALA H H 18 8.870 8.624 0.246 1
1 190 . 1 1 1 A 18 18 ALA HA H 18 4.620 4.883 -0.263 1
1 194 . 1 1 1 A 18 18 ALA C C 18 174.600 176.145 -1.545 1
1 195 . 1 1 1 A 18 18 ALA CA C 18 51.000 50.934 0.066 1
1 196 . 1 1 1 A 18 18 ALA CB C 18 22.300 23.903 -1.603 1
1 197 . 1 1 1 A 18 18 ALA N N 18 127.200 125.123 2.077 1
1 198 . 1 1 1 A 19 19 GLU H H 19 8.450 8.570 -0.120 1
1 199 . 1 1 1 A 19 19 GLU HA H 19 4.830 5.077 -0.247 1
1 204 . 1 1 1 A 19 19 GLU C C 19 175.200 175.184 0.016 1
1 205 . 1 1 1 A 19 19 GLU CA C 19 55.400 55.772 -0.372 1
1 206 . 1 1 1 A 19 19 GLU CB C 19 30.100 30.289 -0.189 1
1 208 . 1 1 1 A 19 19 GLU N N 19 121.700 118.720 2.980 1
1 209 . 1 1 1 A 20 20 LEU H H 20 8.470 8.937 -0.467 1
1 210 . 1 1 1 A 20 20 LEU HA H 20 5.030 5.106 -0.076 1
1 220 . 1 1 1 A 20 20 LEU C C 20 175.600 175.810 -0.210 1
1 221 . 1 1 1 A 20 20 LEU CA C 20 53.000 53.281 -0.281 1
1 222 . 1 1 1 A 20 20 LEU CB C 20 47.600 45.206 2.394 1
1 226 . 1 1 1 A 20 20 LEU N N 20 124.600 126.035 -1.435 1
1 227 . 1 1 1 A 21 21 VAL H H 21 8.880 8.984 -0.104 1
1 228 . 1 1 1 A 21 21 VAL HA H 21 4.540 4.943 -0.403 1
1 236 . 1 1 1 A 21 21 VAL C C 21 175.000 174.153 0.847 1
1 237 . 1 1 1 A 21 21 VAL CA C 21 59.400 59.232 0.168 1
1 238 . 1 1 1 A 21 21 VAL CB C 21 33.300 33.768 -0.468 1
1 241 . 1 1 1 A 21 21 VAL N N 21 123.200 123.412 -0.212 1
1 242 . 1 1 1 A 22 22 PRO HA H 22 3.520 4.369 -0.849 1
1 249 . 1 1 1 A 22 22 PRO C C 22 176.300 177.400 -1.100 1
1 250 . 1 1 1 A 22 22 PRO CA C 22 62.600 62.250 0.350 1
1 251 . 1 1 1 A 22 22 PRO CB C 22 30.800 31.445 -0.645 1
1 254 . 1 1 1 A 23 23 GLU H H 23 8.830 9.454 -0.624 1
1 255 . 1 1 1 A 23 23 GLU HA H 23 4.070 4.221 -0.151 1
1 260 . 1 1 1 A 23 23 GLU C C 23 176.700 176.406 0.294 1
1 261 . 1 1 1 A 23 23 GLU CA C 23 57.700 58.410 -0.710 1
1 262 . 1 1 1 A 23 23 GLU CB C 23 30.900 31.293 -0.393 1
1 264 . 1 1 1 A 23 23 GLU N N 23 121.200 120.410 0.790 1
1 265 . 1 1 1 A 24 24 LYS H H 24 7.120 7.530 -0.410 1
1 266 . 1 1 1 A 24 24 LYS HA H 24 4.480 4.999 -0.519 1
1 275 . 1 1 1 A 24 24 LYS C C 24 173.900 174.684 -0.784 1
1 276 . 1 1 1 A 24 24 LYS CA C 24 55.000 55.867 -0.867 1
1 277 . 1 1 1 A 24 24 LYS CB C 24 36.800 36.126 0.674 1
1 281 . 1 1 1 A 24 24 LYS N N 24 114.600 119.876 -5.276 1
1 282 . 1 1 1 A 25 25 VAL H H 25 8.240 8.887 -0.647 1
1 283 . 1 1 1 A 25 25 VAL HA H 25 5.030 4.987 0.043 1
1 291 . 1 1 1 A 25 25 VAL C C 25 174.500 174.914 -0.414 1
1 292 . 1 1 1 A 25 25 VAL CA C 25 60.200 60.002 0.198 1
1 293 . 1 1 1 A 25 25 VAL CB C 25 35.400 34.398 1.002 1
1 296 . 1 1 1 A 25 25 VAL N N 25 117.400 120.456 -3.056 1
1 297 . 1 1 1 A 26 26 TRP H H 26 9.130 8.869 0.261 1
1 298 . 1 1 1 A 26 26 TRP HA H 26 4.880 5.558 -0.678 1
1 307 . 1 1 1 A 26 26 TRP C C 26 172.600 173.386 -0.786 1
1 308 . 1 1 1 A 26 26 TRP CA C 26 57.800 54.843 2.957 1
1 309 . 1 1 1 A 26 26 TRP CB C 26 31.500 32.710 -1.210 1
1 315 . 1 1 1 A 26 26 TRP N N 26 122.500 121.448 1.052 1
1 317 . 1 1 1 A 27 27 ALA H H 27 8.640 8.919 -0.279 1
1 318 . 1 1 1 A 27 27 ALA HA H 27 5.170 5.668 -0.498 1
1 322 . 1 1 1 A 27 27 ALA C C 27 177.000 176.093 0.907 1
1 323 . 1 1 1 A 27 27 ALA CA C 27 50.500 50.067 0.433 1
1 324 . 1 1 1 A 27 27 ALA CB C 27 21.000 23.232 -2.232 1
1 325 . 1 1 1 A 27 27 ALA N N 27 122.200 122.610 -0.410 1
1 326 . 1 1 1 A 28 28 LEU H H 28 8.860 9.524 -0.664 1
1 327 . 1 1 1 A 28 28 LEU HA H 28 4.590 4.954 -0.364 1
1 337 . 1 1 1 A 28 28 LEU C C 28 176.100 175.073 1.027 1
1 338 . 1 1 1 A 28 28 LEU CA C 28 54.500 54.288 0.212 1
1 339 . 1 1 1 A 28 28 LEU CB C 28 43.100 43.707 -0.607 1
1 343 . 1 1 1 A 28 28 LEU N N 28 123.300 120.671 2.629 1
1 344 . 1 1 1 A 29 29 ALA H H 29 8.540 8.701 -0.161 1
1 345 . 1 1 1 A 29 29 ALA HA H 29 4.820 4.939 -0.119 1
1 349 . 1 1 1 A 29 29 ALA C C 29 174.300 175.524 -1.224 1
1 350 . 1 1 1 A 29 29 ALA CA C 29 50.000 49.127 0.873 1
1 351 . 1 1 1 A 29 29 ALA CB C 29 19.000 20.398 -1.398 1
1 352 . 1 1 1 A 29 29 ALA N N 29 125.900 128.261 -2.361 1
1 353 . 1 1 1 A 30 30 PRO HA H 30 4.440 4.663 -0.223 1
1 360 . 1 1 1 A 30 30 PRO C C 30 176.800 177.193 -0.393 1
1 361 . 1 1 1 A 30 30 PRO CA C 30 62.600 62.411 0.189 1
1 362 . 1 1 1 A 30 30 PRO CB C 30 31.900 32.398 -0.498 1
1 365 . 1 1 1 A 31 31 LYS H H 31 8.370 8.410 -0.040 1
1 366 . 1 1 1 A 31 31 LYS HA H 31 4.170 4.134 0.036 1
1 375 . 1 1 1 A 31 31 LYS C C 31 177.700 176.844 0.856 1
1 376 . 1 1 1 A 31 31 LYS CA C 31 57.300 56.640 0.660 1
1 377 . 1 1 1 A 31 31 LYS CB C 31 32.000 32.176 -0.176 1
1 381 . 1 1 1 A 31 31 LYS N N 31 121.500 119.822 1.678 1
1 382 . 1 1 1 A 32 32 GLY H H 32 8.720 8.788 -0.068 1
1 383 . 1 1 1 A 32 32 GLY HA2 H 32 3.780 3.950 -0.170 1
1 384 . 1 1 1 A 32 32 GLY HA3 H 32 4.120 3.950 0.170 1
1 385 . 1 1 1 A 32 32 GLY C C 32 173.900 173.676 0.224 1
1 386 . 1 1 1 A 32 32 GLY CA C 32 45.700 45.391 0.309 1
1 387 . 1 1 1 A 32 32 GLY N N 32 112.200 112.621 -0.421 1
1 388 . 1 1 1 A 33 33 ARG H H 33 7.790 7.818 -0.028 1
1 389 . 1 1 1 A 33 33 ARG HA H 33 4.590 4.849 -0.259 1
1 396 . 1 1 1 A 33 33 ARG C C 33 175.200 174.755 0.445 1
1 397 . 1 1 1 A 33 33 ARG CA C 33 54.700 54.161 0.539 1
1 398 . 1 1 1 A 33 33 ARG CB C 33 32.300 33.435 -1.135 1
1 401 . 1 1 1 A 33 33 ARG N N 33 118.800 119.596 -0.796 1
1 402 . 1 1 1 A 34 34 LYS H H 34 8.190 8.456 -0.266 1
1 403 . 1 1 1 A 34 34 LYS HA H 34 4.280 5.029 -0.749 1
1 412 . 1 1 1 A 34 34 LYS C C 34 176.700 176.791 -0.091 1
1 413 . 1 1 1 A 34 34 LYS CA C 34 56.800 54.672 2.128 1
1 414 . 1 1 1 A 34 34 LYS CB C 34 32.900 34.857 -1.957 1
1 418 . 1 1 1 A 34 34 LYS N N 34 120.600 119.589 1.011 1
1 419 . 1 1 1 A 35 35 GLY H H 35 8.490 8.840 -0.350 1
1 420 . 1 1 1 A 35 35 GLY HA2 H 35 3.900 3.937 -0.037 1
1 421 . 1 1 1 A 35 35 GLY HA3 H 35 4.260 3.938 0.322 1
1 422 . 1 1 1 A 35 35 GLY C C 35 173.200 174.316 -1.116 1
1 423 . 1 1 1 A 35 35 GLY CA C 35 45.500 46.375 -0.875 1
1 424 . 1 1 1 A 35 35 GLY N N 35 110.400 109.985 0.415 1
1 425 . 1 1 1 A 36 36 VAL H H 36 8.130 8.039 0.091 1
1 426 . 1 1 1 A 36 36 VAL HA H 36 4.380 4.338 0.042 1
1 434 . 1 1 1 A 36 36 VAL C C 36 174.100 175.542 -1.442 1
1 435 . 1 1 1 A 36 36 VAL CA C 36 61.500 61.791 -0.291 1
1 436 . 1 1 1 A 36 36 VAL CB C 36 34.700 32.754 1.946 1
1 438 . 1 1 1 A 36 36 VAL N N 36 119.000 121.506 -2.506 1
1 439 . 1 1 1 A 37 37 LYS H H 37 9.020 8.375 0.645 1
1 440 . 1 1 1 A 37 37 LYS HA H 37 5.070 5.263 -0.193 1
1 449 . 1 1 1 A 37 37 LYS C C 37 174.700 175.210 -0.510 1
1 450 . 1 1 1 A 37 37 LYS CA C 37 55.400 54.623 0.777 1
1 451 . 1 1 1 A 37 37 LYS CB C 37 35.700 36.307 -0.607 1
1 455 . 1 1 1 A 37 37 LYS N N 37 125.600 121.148 4.452 1
1 456 . 1 1 1 A 38 38 ILE H H 38 8.860 8.673 0.187 1
1 457 . 1 1 1 A 38 38 ILE HA H 38 4.390 4.706 -0.316 1
1 467 . 1 1 1 A 38 38 ILE C C 38 173.100 174.112 -1.012 1
1 468 . 1 1 1 A 38 38 ILE CA C 38 59.000 59.251 -0.251 1
1 469 . 1 1 1 A 38 38 ILE CB C 38 40.900 41.689 -0.789 1
1 473 . 1 1 1 A 38 38 ILE N N 38 123.300 121.223 2.077 1
1 474 . 1 1 1 A 39 39 GLY H H 39 8.600 8.948 -0.348 1
1 475 . 1 1 1 A 39 39 GLY HA2 H 39 2.920 3.738 -0.818 1
1 476 . 1 1 1 A 39 39 GLY HA3 H 39 5.060 3.814 1.246 1
1 477 . 1 1 1 A 39 39 GLY C C 39 170.400 171.258 -0.858 1
1 478 . 1 1 1 A 39 39 GLY CA C 39 43.800 43.460 0.340 1
1 479 . 1 1 1 A 39 39 GLY N N 39 109.500 114.065 -4.565 1
1 480 . 1 1 1 A 40 40 LEU H H 40 8.090 8.725 -0.635 1
1 481 . 1 1 1 A 40 40 LEU HA H 40 4.870 4.831 0.039 1
1 491 . 1 1 1 A 40 40 LEU C C 40 174.100 174.587 -0.487 1
1 492 . 1 1 1 A 40 40 LEU CA C 40 53.400 53.562 -0.162 1
1 493 . 1 1 1 A 40 40 LEU CB C 40 45.500 44.005 1.495 1
1 497 . 1 1 1 A 40 40 LEU N N 40 122.200 124.304 -2.104 1
1 498 . 1 1 1 A 41 41 PHE H H 41 9.180 9.707 -0.527 1
1 499 . 1 1 1 A 41 41 PHE HA H 41 4.620 5.073 -0.453 1
1 507 . 1 1 1 A 41 41 PHE C C 41 173.000 173.835 -0.835 1
1 508 . 1 1 1 A 41 41 PHE CA C 41 56.000 56.134 -0.134 1
1 509 . 1 1 1 A 41 41 PHE CB C 41 43.400 43.032 0.368 1
1 515 . 1 1 1 A 41 41 PHE N N 41 124.600 125.245 -0.645 1
1 516 . 1 1 1 A 42 42 LYS H H 42 8.460 8.974 -0.514 1
1 517 . 1 1 1 A 42 42 LYS HA H 42 4.320 4.912 -0.592 1
1 526 . 1 1 1 A 42 42 LYS C C 42 175.800 175.338 0.462 1
1 527 . 1 1 1 A 42 42 LYS CA C 42 54.700 54.253 0.447 1
1 528 . 1 1 1 A 42 42 LYS CB C 42 34.500 35.468 -0.968 1
1 532 . 1 1 1 A 42 42 LYS N N 42 120.800 121.475 -0.675 1
1 533 . 1 1 1 A 43 43 ASP H H 43 8.970 9.334 -0.364 1
1 534 . 1 1 1 A 43 43 ASP HA H 43 4.720 4.942 -0.222 1
1 537 . 1 1 1 A 43 43 ASP C C 43 175.800 175.772 0.028 1
1 538 . 1 1 1 A 43 43 ASP CA C 43 52.100 51.703 0.397 1
1 539 . 1 1 1 A 43 43 ASP CB C 43 42.700 42.060 0.640 1
1 540 . 1 1 1 A 43 43 ASP N N 43 127.600 126.592 1.008 1
1 541 . 1 1 1 A 44 44 PRO HA H 44 4.320 4.463 -0.143 1
1 548 . 1 1 1 A 44 44 PRO C C 44 177.900 177.440 0.460 1
1 549 . 1 1 1 A 44 44 PRO CA C 44 64.300 64.075 0.225 1
1 550 . 1 1 1 A 44 44 PRO CB C 44 32.300 32.197 0.103 1
1 553 . 1 1 1 A 45 45 GLU H H 45 8.320 8.136 0.184 1
1 554 . 1 1 1 A 45 45 GLU HA H 45 4.230 4.226 0.004 1
1 559 . 1 1 1 A 45 45 GLU C C 45 177.800 178.011 -0.211 1
1 560 . 1 1 1 A 45 45 GLU CA C 45 58.600 59.181 -0.581 1
1 561 . 1 1 1 A 45 45 GLU CB C 45 30.700 30.378 0.322 1
1 563 . 1 1 1 A 45 45 GLU N N 45 116.000 119.080 -3.080 1
1 564 . 1 1 1 A 46 46 THR H H 46 7.320 8.954 -1.634 1
1 565 . 1 1 1 A 46 46 THR HA H 46 4.460 4.424 0.036 1
1 570 . 1 1 1 A 46 46 THR C C 46 176.300 175.954 0.346 1
1 571 . 1 1 1 A 46 46 THR CA C 46 61.700 62.464 -0.764 1
1 572 . 1 1 1 A 46 46 THR CB C 46 71.500 70.670 0.830 1
1 574 . 1 1 1 A 46 46 THR N N 46 105.100 108.477 -3.377 1
1 575 . 1 1 1 A 47 47 GLY H H 47 8.550 7.984 0.566 1
1 576 . 1 1 1 A 47 47 GLY HA2 H 47 3.570 3.925 -0.355 1
1 577 . 1 1 1 A 47 47 GLY HA3 H 47 4.160 3.950 0.210 1
1 578 . 1 1 1 A 47 47 GLY C C 47 173.200 174.478 -1.278 1
1 579 . 1 1 1 A 47 47 GLY CA C 47 45.700 45.018 0.682 1
1 580 . 1 1 1 A 47 47 GLY N N 47 111.500 111.261 0.239 1
1 581 . 1 1 1 A 48 48 LYS H H 48 7.700 7.414 0.286 1
1 582 . 1 1 1 A 48 48 LYS HA H 48 4.410 4.473 -0.063 1
1 591 . 1 1 1 A 48 48 LYS C C 48 176.600 175.154 1.446 1
1 592 . 1 1 1 A 48 48 LYS CA C 48 55.800 55.978 -0.178 1
1 593 . 1 1 1 A 48 48 LYS CB C 48 33.900 33.530 0.370 1
1 597 . 1 1 1 A 48 48 LYS N N 48 118.800 120.042 -1.242 1
1 598 . 1 1 1 A 49 49 TYR H H 49 8.740 9.146 -0.406 1
1 599 . 1 1 1 A 49 49 TYR HA H 49 5.670 5.836 -0.166 1
1 606 . 1 1 1 A 49 49 TYR C C 49 177.400 175.546 1.854 1
1 607 . 1 1 1 A 49 49 TYR CA C 49 58.200 56.233 1.967 1
1 608 . 1 1 1 A 49 49 TYR CB C 49 40.300 39.982 0.318 1
1 613 . 1 1 1 A 49 49 TYR N N 49 121.100 119.955 1.145 1
1 614 . 1 1 1 A 50 50 PHE H H 50 9.630 9.351 0.279 1
1 615 . 1 1 1 A 50 50 PHE HA H 50 5.150 5.814 -0.664 1
1 623 . 1 1 1 A 50 50 PHE C C 50 172.500 173.844 -1.344 1
1 624 . 1 1 1 A 50 50 PHE CA C 50 56.200 55.340 0.860 1
1 625 . 1 1 1 A 50 50 PHE CB C 50 41.400 42.811 -1.411 1
1 631 . 1 1 1 A 50 50 PHE N N 50 118.400 119.892 -1.492 1
1 632 . 1 1 1 A 51 51 ARG H H 51 8.940 8.852 0.088 1
1 633 . 1 1 1 A 51 51 ARG HA H 51 5.740 5.177 0.563 1
1 640 . 1 1 1 A 51 51 ARG C C 51 176.600 175.569 1.031 1
1 641 . 1 1 1 A 51 51 ARG CA C 51 54.900 55.860 -0.960 1
1 642 . 1 1 1 A 51 51 ARG CB C 51 32.700 31.497 1.203 1
1 645 . 1 1 1 A 51 51 ARG N N 51 120.700 119.836 0.864 1
1 646 . 1 1 1 A 52 52 HIS H H 52 9.130 9.189 -0.059 1
1 647 . 1 1 1 A 52 52 HIS HA H 52 4.730 5.147 -0.417 1
1 651 . 1 1 1 A 52 52 HIS C C 52 173.900 173.344 0.556 1
1 652 . 1 1 1 A 52 52 HIS CA C 52 56.600 55.950 0.650 1
1 653 . 1 1 1 A 52 52 HIS CB C 52 33.700 33.614 0.086 1
1 655 . 1 1 1 A 52 52 HIS N N 52 120.400 121.394 -0.994 1
1 656 . 1 1 1 A 53 53 LYS H H 53 8.770 8.015 0.755 1
1 657 . 1 1 1 A 53 53 LYS HA H 53 4.590 4.205 0.385 1
1 666 . 1 1 1 A 53 53 LYS C C 53 176.700 175.957 0.743 1
1 667 . 1 1 1 A 53 53 LYS CA C 53 58.000 56.261 1.739 1
1 668 . 1 1 1 A 53 53 LYS CB C 53 33.300 32.452 0.848 1
1 672 . 1 1 1 A 53 53 LYS N N 53 127.500 120.434 7.066 1
1 673 . 1 1 1 A 54 54 LEU H H 54 8.690 9.055 -0.365 1
1 674 . 1 1 1 A 54 54 LEU HA H 54 4.830 4.630 0.200 1
1 684 . 1 1 1 A 54 54 LEU C C 54 173.900 174.467 -0.567 1
1 685 . 1 1 1 A 54 54 LEU CA C 54 51.700 52.462 -0.762 1
1 686 . 1 1 1 A 54 54 LEU CB C 54 41.400 41.523 -0.123 1
1 690 . 1 1 1 A 54 54 LEU N N 54 125.400 124.833 0.567 1
1 691 . 1 1 1 A 55 55 PRO HA H 55 4.420 4.561 -0.141 1
1 698 . 1 1 1 A 55 55 PRO C C 55 177.100 177.141 -0.041 1
1 699 . 1 1 1 A 55 55 PRO CA C 55 62.900 62.803 0.097 1
1 700 . 1 1 1 A 55 55 PRO CB C 55 32.500 32.784 -0.284 1
1 703 . 1 1 1 A 56 56 ASP H H 56 8.740 8.766 -0.026 1
1 704 . 1 1 1 A 56 56 ASP HA H 56 4.440 4.370 0.070 1
1 707 . 1 1 1 A 56 56 ASP C C 56 177.200 176.604 0.596 1
1 708 . 1 1 1 A 56 56 ASP CA C 56 57.500 55.839 1.661 1
1 709 . 1 1 1 A 56 56 ASP CB C 56 40.500 39.900 0.600 1
1 710 . 1 1 1 A 56 56 ASP N N 56 120.700 123.135 -2.435 1
1 711 . 1 1 1 A 57 57 ASP H H 57 8.350 7.867 0.483 1
1 712 . 1 1 1 A 57 57 ASP HA H 57 4.620 4.718 -0.098 1
1 715 . 1 1 1 A 57 57 ASP C C 57 176.300 175.711 0.589 1
1 716 . 1 1 1 A 57 57 ASP CA C 57 52.600 54.095 -1.495 1
1 717 . 1 1 1 A 57 57 ASP CB C 57 39.500 41.046 -1.546 1
1 718 . 1 1 1 A 57 57 ASP N N 57 116.400 118.991 -2.591 1
1 719 . 1 1 1 A 58 58 TYR H H 58 7.890 7.566 0.324 1
1 720 . 1 1 1 A 58 58 TYR HA H 58 4.350 4.646 -0.296 1
1 727 . 1 1 1 A 58 58 TYR C C 58 174.400 174.686 -0.286 1
1 728 . 1 1 1 A 58 58 TYR CA C 58 58.400 57.227 1.173 1
1 729 . 1 1 1 A 58 58 TYR CB C 58 40.300 39.534 0.766 1
1 734 . 1 1 1 A 58 58 TYR N N 58 125.500 122.140 3.360 1
1 735 . 1 1 1 A 59 59 PRO HA H 59 4.360 4.705 -0.345 1
1 742 . 1 1 1 A 59 59 PRO C C 59 174.700 176.497 -1.797 1
1 743 . 1 1 1 A 59 59 PRO CA C 59 63.400 62.461 0.939 1
1 744 . 1 1 1 A 59 59 PRO CB C 59 31.100 31.627 -0.527 1
1 1 . 2 1 1 A 3 3 SER HA H 3 4.520 4.853 -0.333 1
1 4 . 2 1 1 A 3 3 SER C C 3 174.700 175.154 -0.454 1
1 5 . 2 1 1 A 3 3 SER CA C 3 58.400 58.090 0.310 1
1 6 . 2 1 1 A 3 3 SER CB C 3 64.000 62.050 1.950 1
1 7 . 2 1 1 A 4 4 GLY H H 4 8.350 8.305 0.045 1
1 8 . 2 1 1 A 4 4 GLY HA2 H 4 3.910 3.970 -0.060 1
1 9 . 2 1 1 A 4 4 GLY HA3 H 4 4.050 3.972 0.078 1
1 10 . 2 1 1 A 4 4 GLY C C 4 173.800 174.487 -0.687 1
1 11 . 2 1 1 A 4 4 GLY CA C 4 45.300 46.029 -0.729 1
1 12 . 2 1 1 A 4 4 GLY N N 4 110.300 116.087 -5.787 1
1 13 . 2 1 1 A 5 5 LYS H H 5 8.110 8.348 -0.238 1
1 14 . 2 1 1 A 5 5 LYS HA H 5 4.310 4.620 -0.310 1
1 23 . 2 1 1 A 5 5 LYS C C 5 175.700 175.980 -0.280 1
1 24 . 2 1 1 A 5 5 LYS CA C 5 56.100 55.313 0.787 1
1 25 . 2 1 1 A 5 5 LYS CB C 5 33.200 33.916 -0.716 1
1 29 . 2 1 1 A 5 5 LYS N N 5 120.500 120.810 -0.310 1
1 30 . 2 1 1 A 6 6 LYS H H 6 7.980 8.244 -0.264 1
1 31 . 2 1 1 A 6 6 LYS HA H 6 4.730 4.731 -0.001 1
1 40 . 2 1 1 A 6 6 LYS C C 6 174.800 175.755 -0.955 1
1 41 . 2 1 1 A 6 6 LYS CA C 6 54.000 54.575 -0.575 1
1 42 . 2 1 1 A 6 6 LYS CB C 6 33.300 33.112 0.188 1
1 46 . 2 1 1 A 6 6 LYS N N 6 121.900 120.020 1.880 1
1 47 . 2 1 1 A 7 7 PRO HA H 7 4.610 4.873 -0.263 1
1 54 . 2 1 1 A 7 7 PRO C C 7 175.900 175.396 0.504 1
1 55 . 2 1 1 A 7 7 PRO CA C 7 62.500 62.393 0.107 1
1 56 . 2 1 1 A 7 7 PRO CB C 7 32.600 33.127 -0.527 1
1 59 . 2 1 1 A 8 8 VAL H H 8 9.040 8.939 0.101 1
1 60 . 2 1 1 A 8 8 VAL HA H 8 4.430 4.704 -0.274 1
1 68 . 2 1 1 A 8 8 VAL C C 8 173.900 173.379 0.521 1
1 69 . 2 1 1 A 8 8 VAL CA C 8 60.200 59.761 0.439 1
1 70 . 2 1 1 A 8 8 VAL CB C 8 35.600 35.711 -0.111 1
1 73 . 2 1 1 A 8 8 VAL N N 8 119.900 120.658 -0.758 1
1 74 . 2 1 1 A 9 9 LYS H H 9 8.390 8.431 -0.041 1
1 75 . 2 1 1 A 9 9 LYS HA H 9 4.610 4.437 0.173 1
1 84 . 2 1 1 A 9 9 LYS C C 9 175.500 175.168 0.332 1
1 85 . 2 1 1 A 9 9 LYS CA C 9 56.800 56.410 0.390 1
1 86 . 2 1 1 A 9 9 LYS CB C 9 31.700 32.784 -1.084 1
1 90 . 2 1 1 A 9 9 LYS N N 9 125.800 129.393 -3.593 1
1 91 . 2 1 1 A 10 10 VAL H H 10 8.740 8.910 -0.170 1
1 92 . 2 1 1 A 10 10 VAL HA H 10 4.040 4.618 -0.578 1
1 100 . 2 1 1 A 10 10 VAL C C 10 173.600 174.263 -0.663 1
1 101 . 2 1 1 A 10 10 VAL CA C 10 58.600 59.206 -0.606 1
1 102 . 2 1 1 A 10 10 VAL CB C 10 35.200 35.083 0.117 1
1 105 . 2 1 1 A 10 10 VAL N N 10 120.700 125.941 -5.241 1
1 106 . 2 1 1 A 11 11 LYS H H 11 7.320 8.022 -0.702 1
1 107 . 2 1 1 A 11 11 LYS HA H 11 5.000 4.602 0.398 1
1 116 . 2 1 1 A 11 11 LYS C C 11 176.600 176.938 -0.338 1
1 117 . 2 1 1 A 11 11 LYS CA C 11 54.800 56.131 -1.331 1
1 118 . 2 1 1 A 11 11 LYS CB C 11 33.700 33.012 0.688 1
1 122 . 2 1 1 A 11 11 LYS N N 11 120.600 126.173 -5.573 1
1 123 . 2 1 1 A 12 12 THR H H 12 8.950 9.271 -0.321 1
1 124 . 2 1 1 A 12 12 THR HA H 12 3.700 4.088 -0.388 1
1 129 . 2 1 1 A 12 12 THR C C 12 175.100 174.872 0.228 1
1 130 . 2 1 1 A 12 12 THR CA C 12 59.700 59.305 0.395 1
1 131 . 2 1 1 A 12 12 THR CB C 12 67.700 69.351 -1.651 1
1 133 . 2 1 1 A 12 12 THR N N 12 115.400 117.283 -1.883 1
1 134 . 2 1 1 A 13 13 PRO HA H 13 4.180 4.294 -0.114 1
1 141 . 2 1 1 A 13 13 PRO C C 13 177.000 177.400 -0.400 1
1 142 . 2 1 1 A 13 13 PRO CA C 13 65.000 64.055 0.945 1
1 143 . 2 1 1 A 13 13 PRO CB C 13 31.400 31.544 -0.144 1
1 146 . 2 1 1 A 14 14 ALA H H 14 7.240 7.489 -0.249 1
1 147 . 2 1 1 A 14 14 ALA HA H 14 4.310 4.204 0.106 1
1 151 . 2 1 1 A 14 14 ALA C C 14 177.900 177.710 0.190 1
1 152 . 2 1 1 A 14 14 ALA CA C 14 52.200 52.397 -0.197 1
1 153 . 2 1 1 A 14 14 ALA CB C 14 19.000 19.294 -0.294 1
1 154 . 2 1 1 A 14 14 ALA N N 14 116.100 117.699 -1.599 1
1 155 . 2 1 1 A 15 15 GLY H H 15 8.310 7.781 0.529 1
1 156 . 2 1 1 A 15 15 GLY HA2 H 15 3.520 3.822 -0.302 1
1 157 . 2 1 1 A 15 15 GLY HA3 H 15 4.220 3.838 0.382 1
1 158 . 2 1 1 A 15 15 GLY C C 15 174.000 174.002 -0.002 1
1 159 . 2 1 1 A 15 15 GLY CA C 15 45.300 45.211 0.089 1
1 160 . 2 1 1 A 15 15 GLY N N 15 107.000 106.527 0.473 1
1 161 . 2 1 1 A 16 16 LYS H H 16 6.960 7.693 -0.733 1
1 162 . 2 1 1 A 16 16 LYS HA H 16 4.490 4.770 -0.280 1
1 171 . 2 1 1 A 16 16 LYS C C 16 175.400 174.784 0.616 1
1 172 . 2 1 1 A 16 16 LYS CA C 16 54.800 55.084 -0.284 1
1 173 . 2 1 1 A 16 16 LYS CB C 16 33.900 34.773 -0.873 1
1 177 . 2 1 1 A 16 16 LYS N N 16 119.200 116.938 2.262 1
1 178 . 2 1 1 A 17 17 GLU H H 17 8.520 8.790 -0.270 1
1 179 . 2 1 1 A 17 17 GLU HA H 17 4.990 5.175 -0.185 1
1 184 . 2 1 1 A 17 17 GLU C C 17 175.800 175.485 0.315 1
1 185 . 2 1 1 A 17 17 GLU CA C 17 55.900 54.714 1.186 1
1 186 . 2 1 1 A 17 17 GLU CB C 17 30.900 31.528 -0.628 1
1 188 . 2 1 1 A 17 17 GLU N N 17 122.200 121.305 0.895 1
1 189 . 2 1 1 A 18 18 ALA H H 18 8.870 8.843 0.027 1
1 190 . 2 1 1 A 18 18 ALA HA H 18 4.620 5.118 -0.498 1
1 194 . 2 1 1 A 18 18 ALA C C 18 174.600 176.117 -1.517 1
1 195 . 2 1 1 A 18 18 ALA CA C 18 51.000 50.029 0.971 1
1 196 . 2 1 1 A 18 18 ALA CB C 18 22.300 23.643 -1.343 1
1 197 . 2 1 1 A 18 18 ALA N N 18 127.200 128.568 -1.368 1
1 198 . 2 1 1 A 19 19 GLU H H 19 8.450 8.440 0.010 1
1 199 . 2 1 1 A 19 19 GLU HA H 19 4.830 4.911 -0.081 1
1 204 . 2 1 1 A 19 19 GLU C C 19 175.200 175.517 -0.317 1
1 205 . 2 1 1 A 19 19 GLU CA C 19 55.400 56.326 -0.926 1
1 206 . 2 1 1 A 19 19 GLU CB C 19 30.100 30.146 -0.046 1
1 208 . 2 1 1 A 19 19 GLU N N 19 121.700 120.121 1.579 1
1 209 . 2 1 1 A 20 20 LEU H H 20 8.470 8.894 -0.424 1
1 210 . 2 1 1 A 20 20 LEU HA H 20 5.030 5.101 -0.071 1
1 220 . 2 1 1 A 20 20 LEU C C 20 175.600 175.308 0.292 1
1 221 . 2 1 1 A 20 20 LEU CA C 20 53.000 53.489 -0.489 1
1 222 . 2 1 1 A 20 20 LEU CB C 20 47.600 45.011 2.589 1
1 226 . 2 1 1 A 20 20 LEU N N 20 124.600 126.533 -1.933 1
1 227 . 2 1 1 A 21 21 VAL H H 21 8.880 9.062 -0.182 1
1 228 . 2 1 1 A 21 21 VAL HA H 21 4.540 4.798 -0.258 1
1 236 . 2 1 1 A 21 21 VAL C C 21 175.000 174.140 0.860 1
1 237 . 2 1 1 A 21 21 VAL CA C 21 59.400 59.806 -0.406 1
1 238 . 2 1 1 A 21 21 VAL CB C 21 33.300 33.555 -0.255 1
1 241 . 2 1 1 A 21 21 VAL N N 21 123.200 124.235 -1.035 1
1 242 . 2 1 1 A 22 22 PRO HA H 22 3.520 4.095 -0.575 1
1 249 . 2 1 1 A 22 22 PRO C C 22 176.300 177.751 -1.451 1
1 250 . 2 1 1 A 22 22 PRO CA C 22 62.600 62.799 -0.199 1
1 251 . 2 1 1 A 22 22 PRO CB C 22 30.800 31.998 -1.198 1
1 254 . 2 1 1 A 23 23 GLU H H 23 8.830 8.986 -0.156 1
1 255 . 2 1 1 A 23 23 GLU HA H 23 4.070 4.211 -0.141 1
1 260 . 2 1 1 A 23 23 GLU C C 23 176.700 176.126 0.574 1
1 261 . 2 1 1 A 23 23 GLU CA C 23 57.700 59.483 -1.783 1
1 262 . 2 1 1 A 23 23 GLU CB C 23 30.900 30.562 0.338 1
1 264 . 2 1 1 A 23 23 GLU N N 23 121.200 122.464 -1.264 1
1 265 . 2 1 1 A 24 24 LYS H H 24 7.120 7.701 -0.581 1
1 266 . 2 1 1 A 24 24 LYS HA H 24 4.480 4.855 -0.375 1
1 275 . 2 1 1 A 24 24 LYS C C 24 173.900 174.611 -0.711 1
1 276 . 2 1 1 A 24 24 LYS CA C 24 55.000 55.201 -0.201 1
1 277 . 2 1 1 A 24 24 LYS CB C 24 36.800 35.552 1.248 1
1 281 . 2 1 1 A 24 24 LYS N N 24 114.600 114.962 -0.362 1
1 282 . 2 1 1 A 25 25 VAL H H 25 8.240 8.783 -0.543 1
1 283 . 2 1 1 A 25 25 VAL HA H 25 5.030 5.008 0.022 1
1 291 . 2 1 1 A 25 25 VAL C C 25 174.500 174.750 -0.250 1
1 292 . 2 1 1 A 25 25 VAL CA C 25 60.200 59.942 0.258 1
1 293 . 2 1 1 A 25 25 VAL CB C 25 35.400 35.273 0.127 1
1 296 . 2 1 1 A 25 25 VAL N N 25 117.400 117.279 0.121 1
1 297 . 2 1 1 A 26 26 TRP H H 26 9.130 8.856 0.274 1
1 298 . 2 1 1 A 26 26 TRP HA H 26 4.880 5.442 -0.562 1
1 307 . 2 1 1 A 26 26 TRP C C 26 172.600 173.564 -0.964 1
1 308 . 2 1 1 A 26 26 TRP CA C 26 57.800 55.542 2.258 1
1 309 . 2 1 1 A 26 26 TRP CB C 26 31.500 31.719 -0.219 1
1 315 . 2 1 1 A 26 26 TRP N N 26 122.500 120.733 1.767 1
1 317 . 2 1 1 A 27 27 ALA H H 27 8.640 8.900 -0.260 1
1 318 . 2 1 1 A 27 27 ALA HA H 27 5.170 5.466 -0.296 1
1 322 . 2 1 1 A 27 27 ALA C C 27 177.000 175.874 1.126 1
1 323 . 2 1 1 A 27 27 ALA CA C 27 50.500 50.861 -0.361 1
1 324 . 2 1 1 A 27 27 ALA CB C 27 21.000 23.209 -2.209 1
1 325 . 2 1 1 A 27 27 ALA N N 27 122.200 121.894 0.306 1
1 326 . 2 1 1 A 28 28 LEU H H 28 8.860 9.015 -0.155 1
1 327 . 2 1 1 A 28 28 LEU HA H 28 4.590 5.108 -0.518 1
1 337 . 2 1 1 A 28 28 LEU C C 28 176.100 175.509 0.591 1
1 338 . 2 1 1 A 28 28 LEU CA C 28 54.500 53.732 0.768 1
1 339 . 2 1 1 A 28 28 LEU CB C 28 43.100 43.292 -0.192 1
1 343 . 2 1 1 A 28 28 LEU N N 28 123.300 121.078 2.222 1
1 344 . 2 1 1 A 29 29 ALA H H 29 8.540 8.526 0.014 1
1 345 . 2 1 1 A 29 29 ALA HA H 29 4.820 4.860 -0.040 1
1 349 . 2 1 1 A 29 29 ALA C C 29 174.300 176.329 -2.029 1
1 350 . 2 1 1 A 29 29 ALA CA C 29 50.000 49.355 0.645 1
1 351 . 2 1 1 A 29 29 ALA CB C 29 19.000 20.420 -1.420 1
1 352 . 2 1 1 A 29 29 ALA N N 29 125.900 127.156 -1.256 1
1 353 . 2 1 1 A 30 30 PRO HA H 30 4.440 4.377 0.063 1
1 360 . 2 1 1 A 30 30 PRO C C 30 176.800 176.602 0.198 1
1 361 . 2 1 1 A 30 30 PRO CA C 30 62.600 65.624 -3.024 1
1 362 . 2 1 1 A 30 30 PRO CB C 30 31.900 31.747 0.153 1
1 365 . 2 1 1 A 31 31 LYS H H 31 8.370 7.709 0.661 1
1 366 . 2 1 1 A 31 31 LYS HA H 31 4.170 4.626 -0.456 1
1 375 . 2 1 1 A 31 31 LYS C C 31 177.700 176.439 1.261 1
1 376 . 2 1 1 A 31 31 LYS CA C 31 57.300 54.785 2.515 1
1 377 . 2 1 1 A 31 31 LYS CB C 31 32.000 34.146 -2.146 1
1 381 . 2 1 1 A 31 31 LYS N N 31 121.500 117.245 4.255 1
1 382 . 2 1 1 A 32 32 GLY H H 32 8.720 8.564 0.156 1
1 383 . 2 1 1 A 32 32 GLY HA2 H 32 3.780 3.903 -0.123 1
1 384 . 2 1 1 A 32 32 GLY HA3 H 32 4.120 3.903 0.217 1
1 385 . 2 1 1 A 32 32 GLY C C 32 173.900 173.167 0.733 1
1 386 . 2 1 1 A 32 32 GLY CA C 32 45.700 46.624 -0.924 1
1 387 . 2 1 1 A 32 32 GLY N N 32 112.200 109.216 2.984 1
1 388 . 2 1 1 A 33 33 ARG H H 33 7.790 8.199 -0.409 1
1 389 . 2 1 1 A 33 33 ARG HA H 33 4.590 4.754 -0.164 1
1 396 . 2 1 1 A 33 33 ARG C C 33 175.200 175.984 -0.784 1
1 397 . 2 1 1 A 33 33 ARG CA C 33 54.700 54.475 0.225 1
1 398 . 2 1 1 A 33 33 ARG CB C 33 32.300 33.648 -1.348 1
1 401 . 2 1 1 A 33 33 ARG N N 33 118.800 124.302 -5.502 1
1 402 . 2 1 1 A 34 34 LYS H H 34 8.190 8.647 -0.457 1
1 403 . 2 1 1 A 34 34 LYS HA H 34 4.280 4.028 0.252 1
1 412 . 2 1 1 A 34 34 LYS C C 34 176.700 177.350 -0.650 1
1 413 . 2 1 1 A 34 34 LYS CA C 34 56.800 57.764 -0.964 1
1 414 . 2 1 1 A 34 34 LYS CB C 34 32.900 33.144 -0.244 1
1 418 . 2 1 1 A 34 34 LYS N N 34 120.600 123.404 -2.804 1
1 419 . 2 1 1 A 35 35 GLY H H 35 8.490 7.869 0.621 1
1 420 . 2 1 1 A 35 35 GLY HA2 H 35 3.900 3.980 -0.080 1
1 421 . 2 1 1 A 35 35 GLY HA3 H 35 4.260 3.981 0.279 1
1 422 . 2 1 1 A 35 35 GLY C C 35 173.200 174.380 -1.180 1
1 423 . 2 1 1 A 35 35 GLY CA C 35 45.500 45.903 -0.403 1
1 424 . 2 1 1 A 35 35 GLY N N 35 110.400 106.088 4.312 1
1 425 . 2 1 1 A 36 36 VAL H H 36 8.130 8.023 0.107 1
1 426 . 2 1 1 A 36 36 VAL HA H 36 4.380 4.226 0.154 1
1 434 . 2 1 1 A 36 36 VAL C C 36 174.100 175.752 -1.652 1
1 435 . 2 1 1 A 36 36 VAL CA C 36 61.500 61.545 -0.045 1
1 436 . 2 1 1 A 36 36 VAL CB C 36 34.700 31.499 3.201 1
1 438 . 2 1 1 A 36 36 VAL N N 36 119.000 118.901 0.099 1
1 439 . 2 1 1 A 37 37 LYS H H 37 9.020 8.572 0.448 1
1 440 . 2 1 1 A 37 37 LYS HA H 37 5.070 4.748 0.322 1
1 449 . 2 1 1 A 37 37 LYS C C 37 174.700 175.868 -1.168 1
1 450 . 2 1 1 A 37 37 LYS CA C 37 55.400 56.294 -0.894 1
1 451 . 2 1 1 A 37 37 LYS CB C 37 35.700 33.037 2.663 1
1 455 . 2 1 1 A 37 37 LYS N N 37 125.600 126.428 -0.828 1
1 456 . 2 1 1 A 38 38 ILE H H 38 8.860 8.647 0.213 1
1 457 . 2 1 1 A 38 38 ILE HA H 38 4.390 4.756 -0.366 1
1 467 . 2 1 1 A 38 38 ILE C C 38 173.100 174.141 -1.041 1
1 468 . 2 1 1 A 38 38 ILE CA C 38 59.000 59.246 -0.246 1
1 469 . 2 1 1 A 38 38 ILE CB C 38 40.900 41.535 -0.635 1
1 473 . 2 1 1 A 38 38 ILE N N 38 123.300 123.872 -0.572 1
1 474 . 2 1 1 A 39 39 GLY H H 39 8.600 8.767 -0.167 1
1 475 . 2 1 1 A 39 39 GLY HA2 H 39 2.920 3.861 -0.941 1
1 476 . 2 1 1 A 39 39 GLY HA3 H 39 5.060 3.883 1.177 1
1 477 . 2 1 1 A 39 39 GLY C C 39 170.400 171.280 -0.880 1
1 478 . 2 1 1 A 39 39 GLY CA C 39 43.800 43.553 0.247 1
1 479 . 2 1 1 A 39 39 GLY N N 39 109.500 113.820 -4.320 1
1 480 . 2 1 1 A 40 40 LEU H H 40 8.090 8.615 -0.525 1
1 481 . 2 1 1 A 40 40 LEU HA H 40 4.870 4.911 -0.041 1
1 491 . 2 1 1 A 40 40 LEU C C 40 174.100 174.583 -0.483 1
1 492 . 2 1 1 A 40 40 LEU CA C 40 53.400 53.457 -0.057 1
1 493 . 2 1 1 A 40 40 LEU CB C 40 45.500 44.267 1.233 1
1 497 . 2 1 1 A 40 40 LEU N N 40 122.200 124.244 -2.044 1
1 498 . 2 1 1 A 41 41 PHE H H 41 9.180 9.606 -0.426 1
1 499 . 2 1 1 A 41 41 PHE HA H 41 4.620 5.135 -0.515 1
1 507 . 2 1 1 A 41 41 PHE C C 41 173.000 173.998 -0.998 1
1 508 . 2 1 1 A 41 41 PHE CA C 41 56.000 56.106 -0.106 1
1 509 . 2 1 1 A 41 41 PHE CB C 41 43.400 43.160 0.240 1
1 515 . 2 1 1 A 41 41 PHE N N 41 124.600 125.386 -0.786 1
1 516 . 2 1 1 A 42 42 LYS H H 42 8.460 8.892 -0.432 1
1 517 . 2 1 1 A 42 42 LYS HA H 42 4.320 5.047 -0.727 1
1 526 . 2 1 1 A 42 42 LYS C C 42 175.800 175.205 0.595 1
1 527 . 2 1 1 A 42 42 LYS CA C 42 54.700 54.398 0.302 1
1 528 . 2 1 1 A 42 42 LYS CB C 42 34.500 35.399 -0.899 1
1 532 . 2 1 1 A 42 42 LYS N N 42 120.800 120.675 0.125 1
1 533 . 2 1 1 A 43 43 ASP H H 43 8.970 9.032 -0.062 1
1 534 . 2 1 1 A 43 43 ASP HA H 43 4.720 4.867 -0.147 1
1 537 . 2 1 1 A 43 43 ASP C C 43 175.800 176.299 -0.499 1
1 538 . 2 1 1 A 43 43 ASP CA C 43 52.100 51.991 0.109 1
1 539 . 2 1 1 A 43 43 ASP CB C 43 42.700 42.101 0.599 1
1 540 . 2 1 1 A 43 43 ASP N N 43 127.600 127.125 0.475 1
1 541 . 2 1 1 A 44 44 PRO HA H 44 4.320 4.343 -0.023 1
1 548 . 2 1 1 A 44 44 PRO C C 44 177.900 177.524 0.376 1
1 549 . 2 1 1 A 44 44 PRO CA C 44 64.300 64.699 -0.399 1
1 550 . 2 1 1 A 44 44 PRO CB C 44 32.300 32.172 0.128 1
1 553 . 2 1 1 A 45 45 GLU H H 45 8.320 8.581 -0.261 1
1 554 . 2 1 1 A 45 45 GLU HA H 45 4.230 4.218 0.012 1
1 559 . 2 1 1 A 45 45 GLU C C 45 177.800 178.476 -0.676 1
1 560 . 2 1 1 A 45 45 GLU CA C 45 58.600 58.263 0.337 1
1 561 . 2 1 1 A 45 45 GLU CB C 45 30.700 30.308 0.392 1
1 563 . 2 1 1 A 45 45 GLU N N 45 116.000 115.332 0.668 1
1 564 . 2 1 1 A 46 46 THR H H 46 7.320 8.562 -1.242 1
1 565 . 2 1 1 A 46 46 THR HA H 46 4.460 4.428 0.032 1
1 570 . 2 1 1 A 46 46 THR C C 46 176.300 176.252 0.048 1
1 571 . 2 1 1 A 46 46 THR CA C 46 61.700 62.508 -0.808 1
1 572 . 2 1 1 A 46 46 THR CB C 46 71.500 70.511 0.989 1
1 574 . 2 1 1 A 46 46 THR N N 46 105.100 108.973 -3.873 1
1 575 . 2 1 1 A 47 47 GLY H H 47 8.550 8.085 0.465 1
1 576 . 2 1 1 A 47 47 GLY HA2 H 47 3.570 3.858 -0.288 1
1 577 . 2 1 1 A 47 47 GLY HA3 H 47 4.160 3.894 0.266 1
1 578 . 2 1 1 A 47 47 GLY C C 47 173.200 174.371 -1.171 1
1 579 . 2 1 1 A 47 47 GLY CA C 47 45.700 45.278 0.422 1
1 580 . 2 1 1 A 47 47 GLY N N 47 111.500 111.428 0.072 1
1 581 . 2 1 1 A 48 48 LYS H H 48 7.700 7.815 -0.115 1
1 582 . 2 1 1 A 48 48 LYS HA H 48 4.410 4.458 -0.048 1
1 591 . 2 1 1 A 48 48 LYS C C 48 176.600 175.370 1.230 1
1 592 . 2 1 1 A 48 48 LYS CA C 48 55.800 56.065 -0.265 1
1 593 . 2 1 1 A 48 48 LYS CB C 48 33.900 33.480 0.420 1
1 597 . 2 1 1 A 48 48 LYS N N 48 118.800 119.556 -0.756 1
1 598 . 2 1 1 A 49 49 TYR H H 49 8.740 9.265 -0.525 1
1 599 . 2 1 1 A 49 49 TYR HA H 49 5.670 5.823 -0.153 1
1 606 . 2 1 1 A 49 49 TYR C C 49 177.400 175.804 1.596 1
1 607 . 2 1 1 A 49 49 TYR CA C 49 58.200 56.706 1.494 1
1 608 . 2 1 1 A 49 49 TYR CB C 49 40.300 39.990 0.310 1
1 613 . 2 1 1 A 49 49 TYR N N 49 121.100 121.341 -0.241 1
1 614 . 2 1 1 A 50 50 PHE H H 50 9.630 9.313 0.317 1
1 615 . 2 1 1 A 50 50 PHE HA H 50 5.150 5.816 -0.666 1
1 623 . 2 1 1 A 50 50 PHE C C 50 172.500 173.528 -1.028 1
1 624 . 2 1 1 A 50 50 PHE CA C 50 56.200 55.300 0.900 1
1 625 . 2 1 1 A 50 50 PHE CB C 50 41.400 42.869 -1.469 1
1 631 . 2 1 1 A 50 50 PHE N N 50 118.400 120.109 -1.709 1
1 632 . 2 1 1 A 51 51 ARG H H 51 8.940 8.981 -0.041 1
1 633 . 2 1 1 A 51 51 ARG HA H 51 5.740 5.315 0.425 1
1 640 . 2 1 1 A 51 51 ARG C C 51 176.600 175.094 1.506 1
1 641 . 2 1 1 A 51 51 ARG CA C 51 54.900 55.394 -0.494 1
1 642 . 2 1 1 A 51 51 ARG CB C 51 32.700 31.766 0.934 1
1 645 . 2 1 1 A 51 51 ARG N N 51 120.700 119.958 0.742 1
1 646 . 2 1 1 A 52 52 HIS H H 52 9.130 9.129 0.001 1
1 647 . 2 1 1 A 52 52 HIS HA H 52 4.730 5.417 -0.687 1
1 651 . 2 1 1 A 52 52 HIS C C 52 173.900 172.991 0.909 1
1 652 . 2 1 1 A 52 52 HIS CA C 52 56.600 54.990 1.610 1
1 653 . 2 1 1 A 52 52 HIS CB C 52 33.700 33.831 -0.131 1
1 655 . 2 1 1 A 52 52 HIS N N 52 120.400 123.290 -2.890 1
1 656 . 2 1 1 A 53 53 LYS H H 53 8.770 7.986 0.784 1
1 657 . 2 1 1 A 53 53 LYS HA H 53 4.590 4.215 0.375 1
1 666 . 2 1 1 A 53 53 LYS C C 53 176.700 176.471 0.229 1
1 667 . 2 1 1 A 53 53 LYS CA C 53 58.000 56.714 1.286 1
1 668 . 2 1 1 A 53 53 LYS CB C 53 33.300 33.138 0.162 1
1 672 . 2 1 1 A 53 53 LYS N N 53 127.500 127.597 -0.097 1
1 673 . 2 1 1 A 54 54 LEU H H 54 8.690 9.007 -0.317 1
1 674 . 2 1 1 A 54 54 LEU HA H 54 4.830 4.726 0.104 1
1 684 . 2 1 1 A 54 54 LEU C C 54 173.900 174.538 -0.638 1
1 685 . 2 1 1 A 54 54 LEU CA C 54 51.700 52.576 -0.876 1
1 686 . 2 1 1 A 54 54 LEU CB C 54 41.400 41.743 -0.343 1
1 690 . 2 1 1 A 54 54 LEU N N 54 125.400 126.465 -1.065 1
1 691 . 2 1 1 A 55 55 PRO HA H 55 4.420 4.620 -0.200 1
1 698 . 2 1 1 A 55 55 PRO C C 55 177.100 177.516 -0.416 1
1 699 . 2 1 1 A 55 55 PRO CA C 55 62.900 62.862 0.038 1
1 700 . 2 1 1 A 55 55 PRO CB C 55 32.500 32.547 -0.047 1
1 703 . 2 1 1 A 56 56 ASP H H 56 8.740 8.692 0.048 1
1 704 . 2 1 1 A 56 56 ASP HA H 56 4.440 4.319 0.121 1
1 707 . 2 1 1 A 56 56 ASP C C 56 177.200 177.216 -0.016 1
1 708 . 2 1 1 A 56 56 ASP CA C 56 57.500 57.619 -0.119 1
1 709 . 2 1 1 A 56 56 ASP CB C 56 40.500 40.622 -0.122 1
1 710 . 2 1 1 A 56 56 ASP N N 56 120.700 122.447 -1.747 1
1 711 . 2 1 1 A 57 57 ASP H H 57 8.350 7.865 0.485 1
1 712 . 2 1 1 A 57 57 ASP HA H 57 4.620 4.797 -0.177 1
1 715 . 2 1 1 A 57 57 ASP C C 57 176.300 175.901 0.399 1
1 716 . 2 1 1 A 57 57 ASP CA C 57 52.600 54.108 -1.508 1
1 717 . 2 1 1 A 57 57 ASP CB C 57 39.500 41.242 -1.742 1
1 718 . 2 1 1 A 57 57 ASP N N 57 116.400 116.516 -0.116 1
1 719 . 2 1 1 A 58 58 TYR H H 58 7.890 7.914 -0.024 1
1 720 . 2 1 1 A 58 58 TYR HA H 58 4.350 4.823 -0.473 1
1 727 . 2 1 1 A 58 58 TYR C C 58 174.400 174.198 0.202 1
1 728 . 2 1 1 A 58 58 TYR CA C 58 58.400 56.697 1.703 1
1 729 . 2 1 1 A 58 58 TYR CB C 58 40.300 39.547 0.753 1
1 734 . 2 1 1 A 58 58 TYR N N 58 125.500 123.866 1.634 1
1 735 . 2 1 1 A 59 59 PRO HA H 59 4.360 4.573 -0.213 1
1 742 . 2 1 1 A 59 59 PRO C C 59 174.700 176.572 -1.872 1
1 743 . 2 1 1 A 59 59 PRO CA C 59 63.400 62.386 1.014 1
1 744 . 2 1 1 A 59 59 PRO CB C 59 31.100 31.916 -0.816 1
1 1 . 3 1 1 A 3 3 SER HA H 3 4.520 4.499 0.021 1
1 4 . 3 1 1 A 3 3 SER C C 3 174.700 174.401 0.299 1
1 5 . 3 1 1 A 3 3 SER CA C 3 58.400 59.090 -0.690 1
1 6 . 3 1 1 A 3 3 SER CB C 3 64.000 63.291 0.709 1
1 7 . 3 1 1 A 4 4 GLY H H 4 8.350 8.655 -0.305 1
1 8 . 3 1 1 A 4 4 GLY HA2 H 4 3.910 3.993 -0.083 1
1 9 . 3 1 1 A 4 4 GLY HA3 H 4 4.050 3.994 0.056 1
1 10 . 3 1 1 A 4 4 GLY C C 4 173.800 173.378 0.422 1
1 11 . 3 1 1 A 4 4 GLY CA C 4 45.300 45.234 0.066 1
1 12 . 3 1 1 A 4 4 GLY N N 4 110.300 109.750 0.550 1
1 13 . 3 1 1 A 5 5 LYS H H 5 8.110 7.972 0.138 1
1 14 . 3 1 1 A 5 5 LYS HA H 5 4.310 4.931 -0.621 1
1 23 . 3 1 1 A 5 5 LYS C C 5 175.700 175.099 0.601 1
1 24 . 3 1 1 A 5 5 LYS CA C 5 56.100 54.381 1.719 1
1 25 . 3 1 1 A 5 5 LYS CB C 5 33.200 36.089 -2.889 1
1 29 . 3 1 1 A 5 5 LYS N N 5 120.500 119.851 0.649 1
1 30 . 3 1 1 A 6 6 LYS H H 6 7.980 8.771 -0.791 1
1 31 . 3 1 1 A 6 6 LYS HA H 6 4.730 4.862 -0.132 1
1 40 . 3 1 1 A 6 6 LYS C C 6 174.800 174.769 0.031 1
1 41 . 3 1 1 A 6 6 LYS CA C 6 54.000 53.748 0.252 1
1 42 . 3 1 1 A 6 6 LYS CB C 6 33.300 34.077 -0.777 1
1 46 . 3 1 1 A 6 6 LYS N N 6 121.900 123.413 -1.513 1
1 47 . 3 1 1 A 7 7 PRO HA H 7 4.610 5.057 -0.447 1
1 54 . 3 1 1 A 7 7 PRO C C 7 175.900 175.302 0.598 1
1 55 . 3 1 1 A 7 7 PRO CA C 7 62.500 62.518 -0.018 1
1 56 . 3 1 1 A 7 7 PRO CB C 7 32.600 33.108 -0.508 1
1 59 . 3 1 1 A 8 8 VAL H H 8 9.040 8.730 0.310 1
1 60 . 3 1 1 A 8 8 VAL HA H 8 4.430 4.767 -0.337 1
1 68 . 3 1 1 A 8 8 VAL C C 8 173.900 173.764 0.136 1
1 69 . 3 1 1 A 8 8 VAL CA C 8 60.200 59.689 0.511 1
1 70 . 3 1 1 A 8 8 VAL CB C 8 35.600 35.933 -0.333 1
1 73 . 3 1 1 A 8 8 VAL N N 8 119.900 120.865 -0.965 1
1 74 . 3 1 1 A 9 9 LYS H H 9 8.390 8.503 -0.113 1
1 75 . 3 1 1 A 9 9 LYS HA H 9 4.610 4.404 0.206 1
1 84 . 3 1 1 A 9 9 LYS C C 9 175.500 175.225 0.275 1
1 85 . 3 1 1 A 9 9 LYS CA C 9 56.800 56.649 0.151 1
1 86 . 3 1 1 A 9 9 LYS CB C 9 31.700 32.649 -0.949 1
1 90 . 3 1 1 A 9 9 LYS N N 9 125.800 127.034 -1.234 1
1 91 . 3 1 1 A 10 10 VAL H H 10 8.740 8.780 -0.040 1
1 92 . 3 1 1 A 10 10 VAL HA H 10 4.040 4.671 -0.631 1
1 100 . 3 1 1 A 10 10 VAL C C 10 173.600 173.819 -0.219 1
1 101 . 3 1 1 A 10 10 VAL CA C 10 58.600 59.117 -0.517 1
1 102 . 3 1 1 A 10 10 VAL CB C 10 35.200 35.267 -0.067 1
1 105 . 3 1 1 A 10 10 VAL N N 10 120.700 123.963 -3.263 1
1 106 . 3 1 1 A 11 11 LYS H H 11 7.320 8.002 -0.682 1
1 107 . 3 1 1 A 11 11 LYS HA H 11 5.000 4.534 0.466 1
1 116 . 3 1 1 A 11 11 LYS C C 11 176.600 177.044 -0.444 1
1 117 . 3 1 1 A 11 11 LYS CA C 11 54.800 55.844 -1.044 1
1 118 . 3 1 1 A 11 11 LYS CB C 11 33.700 33.467 0.233 1
1 122 . 3 1 1 A 11 11 LYS N N 11 120.600 125.922 -5.322 1
1 123 . 3 1 1 A 12 12 THR H H 12 8.950 9.275 -0.325 1
1 124 . 3 1 1 A 12 12 THR HA H 12 3.700 4.344 -0.644 1
1 129 . 3 1 1 A 12 12 THR C C 12 175.100 174.827 0.273 1
1 130 . 3 1 1 A 12 12 THR CA C 12 59.700 59.369 0.331 1
1 131 . 3 1 1 A 12 12 THR CB C 12 67.700 68.935 -1.235 1
1 133 . 3 1 1 A 12 12 THR N N 12 115.400 116.784 -1.384 1
1 134 . 3 1 1 A 13 13 PRO HA H 13 4.180 4.368 -0.188 1
1 141 . 3 1 1 A 13 13 PRO C C 13 177.000 177.224 -0.224 1
1 142 . 3 1 1 A 13 13 PRO CA C 13 65.000 63.857 1.143 1
1 143 . 3 1 1 A 13 13 PRO CB C 13 31.400 31.638 -0.238 1
1 146 . 3 1 1 A 14 14 ALA H H 14 7.240 7.515 -0.275 1
1 147 . 3 1 1 A 14 14 ALA HA H 14 4.310 4.221 0.089 1
1 151 . 3 1 1 A 14 14 ALA C C 14 177.900 177.935 -0.035 1
1 152 . 3 1 1 A 14 14 ALA CA C 14 52.200 52.012 0.188 1
1 153 . 3 1 1 A 14 14 ALA CB C 14 19.000 19.215 -0.215 1
1 154 . 3 1 1 A 14 14 ALA N N 14 116.100 117.893 -1.793 1
1 155 . 3 1 1 A 15 15 GLY H H 15 8.310 8.192 0.118 1
1 156 . 3 1 1 A 15 15 GLY HA2 H 15 3.520 3.874 -0.354 1
1 157 . 3 1 1 A 15 15 GLY HA3 H 15 4.220 3.885 0.335 1
1 158 . 3 1 1 A 15 15 GLY C C 15 174.000 173.696 0.304 1
1 159 . 3 1 1 A 15 15 GLY CA C 15 45.300 44.996 0.304 1
1 160 . 3 1 1 A 15 15 GLY N N 15 107.000 107.132 -0.132 1
1 161 . 3 1 1 A 16 16 LYS H H 16 6.960 7.286 -0.326 1
1 162 . 3 1 1 A 16 16 LYS HA H 16 4.490 4.854 -0.364 1
1 171 . 3 1 1 A 16 16 LYS C C 16 175.400 175.284 0.116 1
1 172 . 3 1 1 A 16 16 LYS CA C 16 54.800 54.111 0.689 1
1 173 . 3 1 1 A 16 16 LYS CB C 16 33.900 35.379 -1.479 1
1 177 . 3 1 1 A 16 16 LYS N N 16 119.200 116.472 2.728 1
1 178 . 3 1 1 A 17 17 GLU H H 17 8.520 8.441 0.079 1
1 179 . 3 1 1 A 17 17 GLU HA H 17 4.990 5.135 -0.145 1
1 184 . 3 1 1 A 17 17 GLU C C 17 175.800 175.602 0.198 1
1 185 . 3 1 1 A 17 17 GLU CA C 17 55.900 54.919 0.981 1
1 186 . 3 1 1 A 17 17 GLU CB C 17 30.900 32.130 -1.230 1
1 188 . 3 1 1 A 17 17 GLU N N 17 122.200 119.608 2.592 1
1 189 . 3 1 1 A 18 18 ALA H H 18 8.870 8.647 0.223 1
1 190 . 3 1 1 A 18 18 ALA HA H 18 4.620 4.764 -0.144 1
1 194 . 3 1 1 A 18 18 ALA C C 18 174.600 176.222 -1.622 1
1 195 . 3 1 1 A 18 18 ALA CA C 18 51.000 51.329 -0.329 1
1 196 . 3 1 1 A 18 18 ALA CB C 18 22.300 23.159 -0.859 1
1 197 . 3 1 1 A 18 18 ALA N N 18 127.200 122.350 4.850 1
1 198 . 3 1 1 A 19 19 GLU H H 19 8.450 8.495 -0.045 1
1 199 . 3 1 1 A 19 19 GLU HA H 19 4.830 5.129 -0.299 1
1 204 . 3 1 1 A 19 19 GLU C C 19 175.200 175.251 -0.051 1
1 205 . 3 1 1 A 19 19 GLU CA C 19 55.400 55.950 -0.550 1
1 206 . 3 1 1 A 19 19 GLU CB C 19 30.100 30.368 -0.268 1
1 208 . 3 1 1 A 19 19 GLU N N 19 121.700 120.332 1.368 1
1 209 . 3 1 1 A 20 20 LEU H H 20 8.470 8.872 -0.402 1
1 210 . 3 1 1 A 20 20 LEU HA H 20 5.030 5.041 -0.011 1
1 220 . 3 1 1 A 20 20 LEU C C 20 175.600 175.490 0.110 1
1 221 . 3 1 1 A 20 20 LEU CA C 20 53.000 53.352 -0.352 1
1 222 . 3 1 1 A 20 20 LEU CB C 20 47.600 44.962 2.638 1
1 226 . 3 1 1 A 20 20 LEU N N 20 124.600 126.144 -1.544 1
1 227 . 3 1 1 A 21 21 VAL H H 21 8.880 8.847 0.033 1
1 228 . 3 1 1 A 21 21 VAL HA H 21 4.540 4.640 -0.100 1
1 236 . 3 1 1 A 21 21 VAL C C 21 175.000 174.221 0.779 1
1 237 . 3 1 1 A 21 21 VAL CA C 21 59.400 59.915 -0.515 1
1 238 . 3 1 1 A 21 21 VAL CB C 21 33.300 33.313 -0.013 1
1 241 . 3 1 1 A 21 21 VAL N N 21 123.200 124.566 -1.366 1
1 242 . 3 1 1 A 22 22 PRO HA H 22 3.520 4.325 -0.805 1
1 249 . 3 1 1 A 22 22 PRO C C 22 176.300 177.507 -1.207 1
1 250 . 3 1 1 A 22 22 PRO CA C 22 62.600 62.429 0.171 1
1 251 . 3 1 1 A 22 22 PRO CB C 22 30.800 31.450 -0.650 1
1 254 . 3 1 1 A 23 23 GLU H H 23 8.830 8.960 -0.130 1
1 255 . 3 1 1 A 23 23 GLU HA H 23 4.070 4.220 -0.150 1
1 260 . 3 1 1 A 23 23 GLU C C 23 176.700 175.887 0.813 1
1 261 . 3 1 1 A 23 23 GLU CA C 23 57.700 59.333 -1.633 1
1 262 . 3 1 1 A 23 23 GLU CB C 23 30.900 30.660 0.240 1
1 264 . 3 1 1 A 23 23 GLU N N 23 121.200 122.747 -1.547 1
1 265 . 3 1 1 A 24 24 LYS H H 24 7.120 7.630 -0.510 1
1 266 . 3 1 1 A 24 24 LYS HA H 24 4.480 4.952 -0.472 1
1 275 . 3 1 1 A 24 24 LYS C C 24 173.900 174.773 -0.873 1
1 276 . 3 1 1 A 24 24 LYS CA C 24 55.000 55.702 -0.702 1
1 277 . 3 1 1 A 24 24 LYS CB C 24 36.800 35.990 0.810 1
1 281 . 3 1 1 A 24 24 LYS N N 24 114.600 118.537 -3.937 1
1 282 . 3 1 1 A 25 25 VAL H H 25 8.240 8.830 -0.590 1
1 283 . 3 1 1 A 25 25 VAL HA H 25 5.030 4.990 0.040 1
1 291 . 3 1 1 A 25 25 VAL C C 25 174.500 174.792 -0.292 1
1 292 . 3 1 1 A 25 25 VAL CA C 25 60.200 59.919 0.281 1
1 293 . 3 1 1 A 25 25 VAL CB C 25 35.400 35.084 0.316 1
1 296 . 3 1 1 A 25 25 VAL N N 25 117.400 119.470 -2.070 1
1 297 . 3 1 1 A 26 26 TRP H H 26 9.130 8.943 0.187 1
1 298 . 3 1 1 A 26 26 TRP HA H 26 4.880 5.511 -0.631 1
1 307 . 3 1 1 A 26 26 TRP C C 26 172.600 173.638 -1.038 1
1 308 . 3 1 1 A 26 26 TRP CA C 26 57.800 55.503 2.297 1
1 309 . 3 1 1 A 26 26 TRP CB C 26 31.500 32.185 -0.685 1
1 315 . 3 1 1 A 26 26 TRP N N 26 122.500 121.091 1.409 1
1 317 . 3 1 1 A 27 27 ALA H H 27 8.640 8.888 -0.248 1
1 318 . 3 1 1 A 27 27 ALA HA H 27 5.170 5.443 -0.273 1
1 322 . 3 1 1 A 27 27 ALA C C 27 177.000 176.072 0.928 1
1 323 . 3 1 1 A 27 27 ALA CA C 27 50.500 50.775 -0.275 1
1 324 . 3 1 1 A 27 27 ALA CB C 27 21.000 22.926 -1.926 1
1 325 . 3 1 1 A 27 27 ALA N N 27 122.200 122.110 0.090 1
1 326 . 3 1 1 A 28 28 LEU H H 28 8.860 9.414 -0.554 1
1 327 . 3 1 1 A 28 28 LEU HA H 28 4.590 4.913 -0.323 1
1 337 . 3 1 1 A 28 28 LEU C C 28 176.100 175.317 0.783 1
1 338 . 3 1 1 A 28 28 LEU CA C 28 54.500 54.011 0.489 1
1 339 . 3 1 1 A 28 28 LEU CB C 28 43.100 42.219 0.881 1
1 343 . 3 1 1 A 28 28 LEU N N 28 123.300 121.931 1.369 1
1 344 . 3 1 1 A 29 29 ALA H H 29 8.540 8.478 0.062 1
1 345 . 3 1 1 A 29 29 ALA HA H 29 4.820 4.890 -0.070 1
1 349 . 3 1 1 A 29 29 ALA C C 29 174.300 176.283 -1.983 1
1 350 . 3 1 1 A 29 29 ALA CA C 29 50.000 48.923 1.077 1
1 351 . 3 1 1 A 29 29 ALA CB C 29 19.000 20.516 -1.516 1
1 352 . 3 1 1 A 29 29 ALA N N 29 125.900 127.917 -2.017 1
1 353 . 3 1 1 A 30 30 PRO HA H 30 4.440 4.548 -0.108 1
1 360 . 3 1 1 A 30 30 PRO C C 30 176.800 176.406 0.394 1
1 361 . 3 1 1 A 30 30 PRO CA C 30 62.600 63.380 -0.780 1
1 362 . 3 1 1 A 30 30 PRO CB C 30 31.900 32.259 -0.359 1
1 365 . 3 1 1 A 31 31 LYS H H 31 8.370 8.058 0.312 1
1 366 . 3 1 1 A 31 31 LYS HA H 31 4.170 4.077 0.093 1
1 375 . 3 1 1 A 31 31 LYS C C 31 177.700 176.571 1.129 1
1 376 . 3 1 1 A 31 31 LYS CA C 31 57.300 57.347 -0.047 1
1 377 . 3 1 1 A 31 31 LYS CB C 31 32.000 31.427 0.573 1
1 381 . 3 1 1 A 31 31 LYS N N 31 121.500 115.229 6.271 1
1 382 . 3 1 1 A 32 32 GLY H H 32 8.720 8.402 0.318 1
1 383 . 3 1 1 A 32 32 GLY HA2 H 32 3.780 3.895 -0.115 1
1 384 . 3 1 1 A 32 32 GLY HA3 H 32 4.120 3.896 0.224 1
1 385 . 3 1 1 A 32 32 GLY C C 32 173.900 173.674 0.226 1
1 386 . 3 1 1 A 32 32 GLY CA C 32 45.700 45.525 0.175 1
1 387 . 3 1 1 A 32 32 GLY N N 32 112.200 112.531 -0.331 1
1 388 . 3 1 1 A 33 33 ARG H H 33 7.790 7.864 -0.074 1
1 389 . 3 1 1 A 33 33 ARG HA H 33 4.590 4.951 -0.361 1
1 396 . 3 1 1 A 33 33 ARG C C 33 175.200 174.980 0.220 1
1 397 . 3 1 1 A 33 33 ARG CA C 33 54.700 54.121 0.579 1
1 398 . 3 1 1 A 33 33 ARG CB C 33 32.300 34.151 -1.851 1
1 401 . 3 1 1 A 33 33 ARG N N 33 118.800 119.562 -0.762 1
1 402 . 3 1 1 A 34 34 LYS H H 34 8.190 8.323 -0.133 1
1 403 . 3 1 1 A 34 34 LYS HA H 34 4.280 4.560 -0.280 1
1 412 . 3 1 1 A 34 34 LYS C C 34 176.700 176.850 -0.150 1
1 413 . 3 1 1 A 34 34 LYS CA C 34 56.800 55.697 1.103 1
1 414 . 3 1 1 A 34 34 LYS CB C 34 32.900 33.693 -0.793 1
1 418 . 3 1 1 A 34 34 LYS N N 34 120.600 120.311 0.289 1
1 419 . 3 1 1 A 35 35 GLY H H 35 8.490 8.900 -0.410 1
1 420 . 3 1 1 A 35 35 GLY HA2 H 35 3.900 4.094 -0.194 1
1 421 . 3 1 1 A 35 35 GLY HA3 H 35 4.260 4.095 0.165 1
1 422 . 3 1 1 A 35 35 GLY C C 35 173.200 172.922 0.278 1
1 423 . 3 1 1 A 35 35 GLY CA C 35 45.500 45.268 0.232 1
1 424 . 3 1 1 A 35 35 GLY N N 35 110.400 109.434 0.966 1
1 425 . 3 1 1 A 36 36 VAL H H 36 8.130 8.951 -0.821 1
1 426 . 3 1 1 A 36 36 VAL HA H 36 4.380 4.366 0.014 1
1 434 . 3 1 1 A 36 36 VAL C C 36 174.100 175.245 -1.145 1
1 435 . 3 1 1 A 36 36 VAL CA C 36 61.500 61.997 -0.497 1
1 436 . 3 1 1 A 36 36 VAL CB C 36 34.700 30.762 3.938 1
1 438 . 3 1 1 A 36 36 VAL N N 36 119.000 127.111 -8.111 1
1 439 . 3 1 1 A 37 37 LYS H H 37 9.020 8.500 0.520 1
1 440 . 3 1 1 A 37 37 LYS HA H 37 5.070 4.732 0.338 1
1 449 . 3 1 1 A 37 37 LYS C C 37 174.700 175.678 -0.978 1
1 450 . 3 1 1 A 37 37 LYS CA C 37 55.400 56.079 -0.679 1
1 451 . 3 1 1 A 37 37 LYS CB C 37 35.700 33.094 2.606 1
1 455 . 3 1 1 A 37 37 LYS N N 37 125.600 127.304 -1.704 1
1 456 . 3 1 1 A 38 38 ILE H H 38 8.860 8.990 -0.130 1
1 457 . 3 1 1 A 38 38 ILE HA H 38 4.390 4.756 -0.366 1
1 467 . 3 1 1 A 38 38 ILE C C 38 173.100 174.157 -1.057 1
1 468 . 3 1 1 A 38 38 ILE CA C 38 59.000 59.304 -0.304 1
1 469 . 3 1 1 A 38 38 ILE CB C 38 40.900 41.553 -0.653 1
1 473 . 3 1 1 A 38 38 ILE N N 38 123.300 124.118 -0.818 1
1 474 . 3 1 1 A 39 39 GLY H H 39 8.600 8.866 -0.266 1
1 475 . 3 1 1 A 39 39 GLY HA2 H 39 2.920 3.716 -0.796 1
1 476 . 3 1 1 A 39 39 GLY HA3 H 39 5.060 3.818 1.242 1
1 477 . 3 1 1 A 39 39 GLY C C 39 170.400 171.304 -0.904 1
1 478 . 3 1 1 A 39 39 GLY CA C 39 43.800 43.459 0.341 1
1 479 . 3 1 1 A 39 39 GLY N N 39 109.500 113.872 -4.372 1
1 480 . 3 1 1 A 40 40 LEU H H 40 8.090 8.793 -0.703 1
1 481 . 3 1 1 A 40 40 LEU HA H 40 4.870 4.960 -0.090 1
1 491 . 3 1 1 A 40 40 LEU C C 40 174.100 174.573 -0.473 1
1 492 . 3 1 1 A 40 40 LEU CA C 40 53.400 53.519 -0.119 1
1 493 . 3 1 1 A 40 40 LEU CB C 40 45.500 44.239 1.261 1
1 497 . 3 1 1 A 40 40 LEU N N 40 122.200 124.304 -2.104 1
1 498 . 3 1 1 A 41 41 PHE H H 41 9.180 9.654 -0.474 1
1 499 . 3 1 1 A 41 41 PHE HA H 41 4.620 5.090 -0.470 1
1 507 . 3 1 1 A 41 41 PHE C C 41 173.000 174.097 -1.097 1
1 508 . 3 1 1 A 41 41 PHE CA C 41 56.000 56.112 -0.112 1
1 509 . 3 1 1 A 41 41 PHE CB C 41 43.400 43.150 0.250 1
1 515 . 3 1 1 A 41 41 PHE N N 41 124.600 125.420 -0.820 1
1 516 . 3 1 1 A 42 42 LYS H H 42 8.460 8.904 -0.444 1
1 517 . 3 1 1 A 42 42 LYS HA H 42 4.320 4.942 -0.622 1
1 526 . 3 1 1 A 42 42 LYS C C 42 175.800 175.425 0.375 1
1 527 . 3 1 1 A 42 42 LYS CA C 42 54.700 54.341 0.359 1
1 528 . 3 1 1 A 42 42 LYS CB C 42 34.500 34.889 -0.389 1
1 532 . 3 1 1 A 42 42 LYS N N 42 120.800 121.008 -0.208 1
1 533 . 3 1 1 A 43 43 ASP H H 43 8.970 9.166 -0.196 1
1 534 . 3 1 1 A 43 43 ASP HA H 43 4.720 4.908 -0.188 1
1 537 . 3 1 1 A 43 43 ASP C C 43 175.800 176.334 -0.534 1
1 538 . 3 1 1 A 43 43 ASP CA C 43 52.100 52.220 -0.120 1
1 539 . 3 1 1 A 43 43 ASP CB C 43 42.700 42.103 0.597 1
1 540 . 3 1 1 A 43 43 ASP N N 43 127.600 126.952 0.648 1
1 541 . 3 1 1 A 44 44 PRO HA H 44 4.320 4.510 -0.190 1
1 548 . 3 1 1 A 44 44 PRO C C 44 177.900 177.908 -0.008 1
1 549 . 3 1 1 A 44 44 PRO CA C 44 64.300 64.369 -0.069 1
1 550 . 3 1 1 A 44 44 PRO CB C 44 32.300 31.995 0.305 1
1 553 . 3 1 1 A 45 45 GLU H H 45 8.320 8.293 0.027 1
1 554 . 3 1 1 A 45 45 GLU HA H 45 4.230 4.230 0.000 1
1 559 . 3 1 1 A 45 45 GLU C C 45 177.800 178.229 -0.429 1
1 560 . 3 1 1 A 45 45 GLU CA C 45 58.600 59.085 -0.485 1
1 561 . 3 1 1 A 45 45 GLU CB C 45 30.700 30.306 0.394 1
1 563 . 3 1 1 A 45 45 GLU N N 45 116.000 117.838 -1.838 1
1 564 . 3 1 1 A 46 46 THR H H 46 7.320 8.754 -1.434 1
1 565 . 3 1 1 A 46 46 THR HA H 46 4.460 4.438 0.022 1
1 570 . 3 1 1 A 46 46 THR C C 46 176.300 176.213 0.087 1
1 571 . 3 1 1 A 46 46 THR CA C 46 61.700 62.455 -0.755 1
1 572 . 3 1 1 A 46 46 THR CB C 46 71.500 70.425 1.075 1
1 574 . 3 1 1 A 46 46 THR N N 46 105.100 109.320 -4.220 1
1 575 . 3 1 1 A 47 47 GLY H H 47 8.550 8.212 0.338 1
1 576 . 3 1 1 A 47 47 GLY HA2 H 47 3.570 3.866 -0.296 1
1 577 . 3 1 1 A 47 47 GLY HA3 H 47 4.160 3.891 0.269 1
1 578 . 3 1 1 A 47 47 GLY C C 47 173.200 174.566 -1.366 1
1 579 . 3 1 1 A 47 47 GLY CA C 47 45.700 45.147 0.553 1
1 580 . 3 1 1 A 47 47 GLY N N 47 111.500 111.407 0.093 1
1 581 . 3 1 1 A 48 48 LYS H H 48 7.700 7.370 0.330 1
1 582 . 3 1 1 A 48 48 LYS HA H 48 4.410 4.410 0.000 1
1 591 . 3 1 1 A 48 48 LYS C C 48 176.600 175.687 0.913 1
1 592 . 3 1 1 A 48 48 LYS CA C 48 55.800 56.217 -0.417 1
1 593 . 3 1 1 A 48 48 LYS CB C 48 33.900 33.277 0.623 1
1 597 . 3 1 1 A 48 48 LYS N N 48 118.800 120.339 -1.539 1
1 598 . 3 1 1 A 49 49 TYR H H 49 8.740 9.021 -0.281 1
1 599 . 3 1 1 A 49 49 TYR HA H 49 5.670 5.580 0.090 1
1 606 . 3 1 1 A 49 49 TYR C C 49 177.400 176.057 1.343 1
1 607 . 3 1 1 A 49 49 TYR CA C 49 58.200 57.618 0.582 1
1 608 . 3 1 1 A 49 49 TYR CB C 49 40.300 39.436 0.864 1
1 613 . 3 1 1 A 49 49 TYR N N 49 121.100 122.550 -1.450 1
1 614 . 3 1 1 A 50 50 PHE H H 50 9.630 9.439 0.191 1
1 615 . 3 1 1 A 50 50 PHE HA H 50 5.150 5.851 -0.701 1
1 623 . 3 1 1 A 50 50 PHE C C 50 172.500 173.733 -1.233 1
1 624 . 3 1 1 A 50 50 PHE CA C 50 56.200 55.359 0.841 1
1 625 . 3 1 1 A 50 50 PHE CB C 50 41.400 42.901 -1.501 1
1 631 . 3 1 1 A 50 50 PHE N N 50 118.400 120.370 -1.970 1
1 632 . 3 1 1 A 51 51 ARG H H 51 8.940 8.989 -0.049 1
1 633 . 3 1 1 A 51 51 ARG HA H 51 5.740 5.271 0.469 1
1 640 . 3 1 1 A 51 51 ARG C C 51 176.600 175.064 1.536 1
1 641 . 3 1 1 A 51 51 ARG CA C 51 54.900 55.308 -0.408 1
1 642 . 3 1 1 A 51 51 ARG CB C 51 32.700 31.475 1.225 1
1 645 . 3 1 1 A 51 51 ARG N N 51 120.700 120.098 0.602 1
1 646 . 3 1 1 A 52 52 HIS H H 52 9.130 9.220 -0.090 1
1 647 . 3 1 1 A 52 52 HIS HA H 52 4.730 5.435 -0.705 1
1 651 . 3 1 1 A 52 52 HIS C C 52 173.900 172.955 0.945 1
1 652 . 3 1 1 A 52 52 HIS CA C 52 56.600 54.992 1.608 1
1 653 . 3 1 1 A 52 52 HIS CB C 52 33.700 34.088 -0.388 1
1 655 . 3 1 1 A 52 52 HIS N N 52 120.400 123.343 -2.943 1
1 656 . 3 1 1 A 53 53 LYS H H 53 8.770 7.914 0.856 1
1 657 . 3 1 1 A 53 53 LYS HA H 53 4.590 4.414 0.176 1
1 666 . 3 1 1 A 53 53 LYS C C 53 176.700 176.519 0.181 1
1 667 . 3 1 1 A 53 53 LYS CA C 53 58.000 56.698 1.302 1
1 668 . 3 1 1 A 53 53 LYS CB C 53 33.300 33.112 0.188 1
1 672 . 3 1 1 A 53 53 LYS N N 53 127.500 126.642 0.858 1
1 673 . 3 1 1 A 54 54 LEU H H 54 8.690 9.010 -0.320 1
1 674 . 3 1 1 A 54 54 LEU HA H 54 4.830 4.731 0.099 1
1 684 . 3 1 1 A 54 54 LEU C C 54 173.900 174.581 -0.681 1
1 685 . 3 1 1 A 54 54 LEU CA C 54 51.700 52.549 -0.849 1
1 686 . 3 1 1 A 54 54 LEU CB C 54 41.400 41.775 -0.375 1
1 690 . 3 1 1 A 54 54 LEU N N 54 125.400 126.407 -1.007 1
1 691 . 3 1 1 A 55 55 PRO HA H 55 4.420 4.596 -0.176 1
1 698 . 3 1 1 A 55 55 PRO C C 55 177.100 177.328 -0.228 1
1 699 . 3 1 1 A 55 55 PRO CA C 55 62.900 62.900 0.000 1
1 700 . 3 1 1 A 55 55 PRO CB C 55 32.500 32.732 -0.232 1
1 703 . 3 1 1 A 56 56 ASP H H 56 8.740 8.706 0.034 1
1 704 . 3 1 1 A 56 56 ASP HA H 56 4.440 4.327 0.113 1
1 707 . 3 1 1 A 56 56 ASP C C 56 177.200 176.684 0.516 1
1 708 . 3 1 1 A 56 56 ASP CA C 56 57.500 57.255 0.245 1
1 709 . 3 1 1 A 56 56 ASP CB C 56 40.500 40.706 -0.206 1
1 710 . 3 1 1 A 56 56 ASP N N 56 120.700 122.243 -1.543 1
1 711 . 3 1 1 A 57 57 ASP H H 57 8.350 8.341 0.009 1
1 712 . 3 1 1 A 57 57 ASP HA H 57 4.620 4.704 -0.084 1
1 715 . 3 1 1 A 57 57 ASP C C 57 176.300 175.901 0.399 1
1 716 . 3 1 1 A 57 57 ASP CA C 57 52.600 53.311 -0.711 1
1 717 . 3 1 1 A 57 57 ASP CB C 57 39.500 39.858 -0.358 1
1 718 . 3 1 1 A 57 57 ASP N N 57 116.400 114.253 2.147 1
1 719 . 3 1 1 A 58 58 TYR H H 58 7.890 7.787 0.103 1
1 720 . 3 1 1 A 58 58 TYR HA H 58 4.350 4.715 -0.365 1
1 727 . 3 1 1 A 58 58 TYR C C 58 174.400 174.167 0.233 1
1 728 . 3 1 1 A 58 58 TYR CA C 58 58.400 56.979 1.421 1
1 729 . 3 1 1 A 58 58 TYR CB C 58 40.300 39.631 0.669 1
1 734 . 3 1 1 A 58 58 TYR N N 58 125.500 122.816 2.684 1
1 735 . 3 1 1 A 59 59 PRO HA H 59 4.360 4.447 -0.087 1
1 742 . 3 1 1 A 59 59 PRO C C 59 174.700 176.579 -1.879 1
1 743 . 3 1 1 A 59 59 PRO CA C 59 63.400 62.394 1.006 1
1 744 . 3 1 1 A 59 59 PRO CB C 59 31.100 32.153 -1.053 1
1 1 . 4 1 1 A 3 3 SER HA H 3 4.520 5.042 -0.522 1
1 4 . 4 1 1 A 3 3 SER C C 3 174.700 174.218 0.482 1
1 5 . 4 1 1 A 3 3 SER CA C 3 58.400 57.345 1.055 1
1 6 . 4 1 1 A 3 3 SER CB C 3 64.000 64.525 -0.525 1
1 7 . 4 1 1 A 4 4 GLY H H 4 8.350 8.780 -0.430 1
1 8 . 4 1 1 A 4 4 GLY HA2 H 4 3.910 3.931 -0.021 1
1 9 . 4 1 1 A 4 4 GLY HA3 H 4 4.050 3.936 0.114 1
1 10 . 4 1 1 A 4 4 GLY C C 4 173.800 174.108 -0.308 1
1 11 . 4 1 1 A 4 4 GLY CA C 4 45.300 45.980 -0.680 1
1 12 . 4 1 1 A 4 4 GLY N N 4 110.300 113.388 -3.088 1
1 13 . 4 1 1 A 5 5 LYS H H 5 8.110 7.730 0.380 1
1 14 . 4 1 1 A 5 5 LYS HA H 5 4.310 4.650 -0.340 1
1 23 . 4 1 1 A 5 5 LYS C C 5 175.700 175.725 -0.025 1
1 24 . 4 1 1 A 5 5 LYS CA C 5 56.100 55.637 0.463 1
1 25 . 4 1 1 A 5 5 LYS CB C 5 33.200 34.415 -1.215 1
1 29 . 4 1 1 A 5 5 LYS N N 5 120.500 119.680 0.820 1
1 30 . 4 1 1 A 6 6 LYS H H 6 7.980 8.979 -0.999 1
1 31 . 4 1 1 A 6 6 LYS HA H 6 4.730 5.035 -0.305 1
1 40 . 4 1 1 A 6 6 LYS C C 6 174.800 173.749 1.051 1
1 41 . 4 1 1 A 6 6 LYS CA C 6 54.000 53.763 0.237 1
1 42 . 4 1 1 A 6 6 LYS CB C 6 33.300 34.846 -1.546 1
1 46 . 4 1 1 A 6 6 LYS N N 6 121.900 120.898 1.002 1
1 47 . 4 1 1 A 7 7 PRO HA H 7 4.610 5.253 -0.643 1
1 54 . 4 1 1 A 7 7 PRO C C 7 175.900 175.753 0.147 1
1 55 . 4 1 1 A 7 7 PRO CA C 7 62.500 62.281 0.219 1
1 56 . 4 1 1 A 7 7 PRO CB C 7 32.600 32.037 0.563 1
1 59 . 4 1 1 A 8 8 VAL H H 8 9.040 8.606 0.434 1
1 60 . 4 1 1 A 8 8 VAL HA H 8 4.430 4.588 -0.158 1
1 68 . 4 1 1 A 8 8 VAL C C 8 173.900 175.116 -1.216 1
1 69 . 4 1 1 A 8 8 VAL CA C 8 60.200 59.863 0.337 1
1 70 . 4 1 1 A 8 8 VAL CB C 8 35.600 33.577 2.023 1
1 73 . 4 1 1 A 8 8 VAL N N 8 119.900 122.233 -2.333 1
1 74 . 4 1 1 A 9 9 LYS H H 9 8.390 8.447 -0.057 1
1 75 . 4 1 1 A 9 9 LYS HA H 9 4.610 4.519 0.091 1
1 84 . 4 1 1 A 9 9 LYS C C 9 175.500 175.528 -0.028 1
1 85 . 4 1 1 A 9 9 LYS CA C 9 56.800 56.215 0.585 1
1 86 . 4 1 1 A 9 9 LYS CB C 9 31.700 32.852 -1.152 1
1 90 . 4 1 1 A 9 9 LYS N N 9 125.800 126.216 -0.416 1
1 91 . 4 1 1 A 10 10 VAL H H 10 8.740 8.797 -0.057 1
1 92 . 4 1 1 A 10 10 VAL HA H 10 4.040 4.615 -0.575 1
1 100 . 4 1 1 A 10 10 VAL C C 10 173.600 173.671 -0.071 1
1 101 . 4 1 1 A 10 10 VAL CA C 10 58.600 59.222 -0.622 1
1 102 . 4 1 1 A 10 10 VAL CB C 10 35.200 35.348 -0.148 1
1 105 . 4 1 1 A 10 10 VAL N N 10 120.700 123.007 -2.307 1
1 106 . 4 1 1 A 11 11 LYS H H 11 7.320 8.188 -0.868 1
1 107 . 4 1 1 A 11 11 LYS HA H 11 5.000 4.557 0.443 1
1 116 . 4 1 1 A 11 11 LYS C C 11 176.600 177.012 -0.412 1
1 117 . 4 1 1 A 11 11 LYS CA C 11 54.800 55.551 -0.751 1
1 118 . 4 1 1 A 11 11 LYS CB C 11 33.700 33.807 -0.107 1
1 122 . 4 1 1 A 11 11 LYS N N 11 120.600 126.298 -5.698 1
1 123 . 4 1 1 A 12 12 THR H H 12 8.950 9.356 -0.406 1
1 124 . 4 1 1 A 12 12 THR HA H 12 3.700 4.386 -0.686 1
1 129 . 4 1 1 A 12 12 THR C C 12 175.100 174.893 0.207 1
1 130 . 4 1 1 A 12 12 THR CA C 12 59.700 59.807 -0.107 1
1 131 . 4 1 1 A 12 12 THR CB C 12 67.700 68.699 -0.999 1
1 133 . 4 1 1 A 12 12 THR N N 12 115.400 116.661 -1.261 1
1 134 . 4 1 1 A 13 13 PRO HA H 13 4.180 4.341 -0.161 1
1 141 . 4 1 1 A 13 13 PRO C C 13 177.000 177.899 -0.899 1
1 142 . 4 1 1 A 13 13 PRO CA C 13 65.000 64.296 0.704 1
1 143 . 4 1 1 A 13 13 PRO CB C 13 31.400 31.598 -0.198 1
1 146 . 4 1 1 A 14 14 ALA H H 14 7.240 7.078 0.162 1
1 147 . 4 1 1 A 14 14 ALA HA H 14 4.310 4.103 0.207 1
1 151 . 4 1 1 A 14 14 ALA C C 14 177.900 177.570 0.330 1
1 152 . 4 1 1 A 14 14 ALA CA C 14 52.200 53.774 -1.574 1
1 153 . 4 1 1 A 14 14 ALA CB C 14 19.000 19.346 -0.346 1
1 154 . 4 1 1 A 14 14 ALA N N 14 116.100 118.524 -2.424 1
1 155 . 4 1 1 A 15 15 GLY H H 15 8.310 7.618 0.692 1
1 156 . 4 1 1 A 15 15 GLY HA2 H 15 3.520 3.971 -0.451 1
1 157 . 4 1 1 A 15 15 GLY HA3 H 15 4.220 3.983 0.237 1
1 158 . 4 1 1 A 15 15 GLY C C 15 174.000 174.275 -0.275 1
1 159 . 4 1 1 A 15 15 GLY CA C 15 45.300 45.023 0.277 1
1 160 . 4 1 1 A 15 15 GLY N N 15 107.000 106.093 0.907 1
1 161 . 4 1 1 A 16 16 LYS H H 16 6.960 7.490 -0.530 1
1 162 . 4 1 1 A 16 16 LYS HA H 16 4.490 4.844 -0.354 1
1 171 . 4 1 1 A 16 16 LYS C C 16 175.400 175.117 0.283 1
1 172 . 4 1 1 A 16 16 LYS CA C 16 54.800 54.977 -0.177 1
1 173 . 4 1 1 A 16 16 LYS CB C 16 33.900 34.970 -1.070 1
1 177 . 4 1 1 A 16 16 LYS N N 16 119.200 116.847 2.353 1
1 178 . 4 1 1 A 17 17 GLU H H 17 8.520 8.690 -0.170 1
1 179 . 4 1 1 A 17 17 GLU HA H 17 4.990 5.041 -0.051 1
1 184 . 4 1 1 A 17 17 GLU C C 17 175.800 175.398 0.402 1
1 185 . 4 1 1 A 17 17 GLU CA C 17 55.900 55.581 0.319 1
1 186 . 4 1 1 A 17 17 GLU CB C 17 30.900 31.461 -0.561 1
1 188 . 4 1 1 A 17 17 GLU N N 17 122.200 121.820 0.380 1
1 189 . 4 1 1 A 18 18 ALA H H 18 8.870 8.849 0.021 1
1 190 . 4 1 1 A 18 18 ALA HA H 18 4.620 4.883 -0.263 1
1 194 . 4 1 1 A 18 18 ALA C C 18 174.600 176.191 -1.591 1
1 195 . 4 1 1 A 18 18 ALA CA C 18 51.000 50.901 0.099 1
1 196 . 4 1 1 A 18 18 ALA CB C 18 22.300 23.671 -1.371 1
1 197 . 4 1 1 A 18 18 ALA N N 18 127.200 128.027 -0.827 1
1 198 . 4 1 1 A 19 19 GLU H H 19 8.450 8.467 -0.017 1
1 199 . 4 1 1 A 19 19 GLU HA H 19 4.830 5.084 -0.254 1
1 204 . 4 1 1 A 19 19 GLU C C 19 175.200 175.267 -0.067 1
1 205 . 4 1 1 A 19 19 GLU CA C 19 55.400 55.754 -0.354 1
1 206 . 4 1 1 A 19 19 GLU CB C 19 30.100 30.322 -0.222 1
1 208 . 4 1 1 A 19 19 GLU N N 19 121.700 118.901 2.799 1
1 209 . 4 1 1 A 20 20 LEU H H 20 8.470 8.974 -0.504 1
1 210 . 4 1 1 A 20 20 LEU HA H 20 5.030 5.051 -0.021 1
1 220 . 4 1 1 A 20 20 LEU C C 20 175.600 175.602 -0.002 1
1 221 . 4 1 1 A 20 20 LEU CA C 20 53.000 53.583 -0.583 1
1 222 . 4 1 1 A 20 20 LEU CB C 20 47.600 45.043 2.557 1
1 226 . 4 1 1 A 20 20 LEU N N 20 124.600 126.094 -1.494 1
1 227 . 4 1 1 A 21 21 VAL H H 21 8.880 8.861 0.019 1
1 228 . 4 1 1 A 21 21 VAL HA H 21 4.540 4.685 -0.145 1
1 236 . 4 1 1 A 21 21 VAL C C 21 175.000 174.303 0.697 1
1 237 . 4 1 1 A 21 21 VAL CA C 21 59.400 60.231 -0.831 1
1 238 . 4 1 1 A 21 21 VAL CB C 21 33.300 33.465 -0.165 1
1 241 . 4 1 1 A 21 21 VAL N N 21 123.200 125.912 -2.712 1
1 242 . 4 1 1 A 22 22 PRO HA H 22 3.520 4.467 -0.947 1
1 249 . 4 1 1 A 22 22 PRO C C 22 176.300 177.593 -1.293 1
1 250 . 4 1 1 A 22 22 PRO CA C 22 62.600 62.462 0.138 1
1 251 . 4 1 1 A 22 22 PRO CB C 22 30.800 32.110 -1.310 1
1 254 . 4 1 1 A 23 23 GLU H H 23 8.830 9.105 -0.275 1
1 255 . 4 1 1 A 23 23 GLU HA H 23 4.070 4.263 -0.193 1
1 260 . 4 1 1 A 23 23 GLU C C 23 176.700 176.102 0.598 1
1 261 . 4 1 1 A 23 23 GLU CA C 23 57.700 59.410 -1.710 1
1 262 . 4 1 1 A 23 23 GLU CB C 23 30.900 30.640 0.260 1
1 264 . 4 1 1 A 23 23 GLU N N 23 121.200 121.592 -0.392 1
1 265 . 4 1 1 A 24 24 LYS H H 24 7.120 7.603 -0.483 1
1 266 . 4 1 1 A 24 24 LYS HA H 24 4.480 4.781 -0.301 1
1 275 . 4 1 1 A 24 24 LYS C C 24 173.900 174.287 -0.387 1
1 276 . 4 1 1 A 24 24 LYS CA C 24 55.000 55.316 -0.316 1
1 277 . 4 1 1 A 24 24 LYS CB C 24 36.800 35.942 0.858 1
1 281 . 4 1 1 A 24 24 LYS N N 24 114.600 114.834 -0.234 1
1 282 . 4 1 1 A 25 25 VAL H H 25 8.240 8.717 -0.477 1
1 283 . 4 1 1 A 25 25 VAL HA H 25 5.030 4.995 0.035 1
1 291 . 4 1 1 A 25 25 VAL C C 25 174.500 174.855 -0.355 1
1 292 . 4 1 1 A 25 25 VAL CA C 25 60.200 59.933 0.267 1
1 293 . 4 1 1 A 25 25 VAL CB C 25 35.400 35.176 0.224 1
1 296 . 4 1 1 A 25 25 VAL N N 25 117.400 115.660 1.740 1
1 297 . 4 1 1 A 26 26 TRP H H 26 9.130 8.933 0.197 1
1 298 . 4 1 1 A 26 26 TRP HA H 26 4.880 5.639 -0.759 1
1 307 . 4 1 1 A 26 26 TRP C C 26 172.600 173.744 -1.144 1
1 308 . 4 1 1 A 26 26 TRP CA C 26 57.800 55.074 2.726 1
1 309 . 4 1 1 A 26 26 TRP CB C 26 31.500 32.863 -1.363 1
1 315 . 4 1 1 A 26 26 TRP N N 26 122.500 121.454 1.046 1
1 317 . 4 1 1 A 27 27 ALA H H 27 8.640 8.973 -0.333 1
1 318 . 4 1 1 A 27 27 ALA HA H 27 5.170 5.413 -0.243 1
1 322 . 4 1 1 A 27 27 ALA C C 27 177.000 175.762 1.238 1
1 323 . 4 1 1 A 27 27 ALA CA C 27 50.500 50.412 0.088 1
1 324 . 4 1 1 A 27 27 ALA CB C 27 21.000 21.964 -0.964 1
1 325 . 4 1 1 A 27 27 ALA N N 27 122.200 122.623 -0.423 1
1 326 . 4 1 1 A 28 28 LEU H H 28 8.860 9.710 -0.850 1
1 327 . 4 1 1 A 28 28 LEU HA H 28 4.590 4.786 -0.196 1
1 337 . 4 1 1 A 28 28 LEU C C 28 176.100 175.534 0.566 1
1 338 . 4 1 1 A 28 28 LEU CA C 28 54.500 54.357 0.143 1
1 339 . 4 1 1 A 28 28 LEU CB C 28 43.100 40.892 2.208 1
1 343 . 4 1 1 A 28 28 LEU N N 28 123.300 124.527 -1.227 1
1 344 . 4 1 1 A 29 29 ALA H H 29 8.540 8.214 0.326 1
1 345 . 4 1 1 A 29 29 ALA HA H 29 4.820 4.825 -0.005 1
1 349 . 4 1 1 A 29 29 ALA C C 29 174.300 176.481 -2.181 1
1 350 . 4 1 1 A 29 29 ALA CA C 29 50.000 49.006 0.994 1
1 351 . 4 1 1 A 29 29 ALA CB C 29 19.000 20.417 -1.417 1
1 352 . 4 1 1 A 29 29 ALA N N 29 125.900 127.793 -1.893 1
1 353 . 4 1 1 A 30 30 PRO HA H 30 4.440 4.427 0.013 1
1 360 . 4 1 1 A 30 30 PRO C C 30 176.800 178.032 -1.232 1
1 361 . 4 1 1 A 30 30 PRO CA C 30 62.600 65.663 -3.063 1
1 362 . 4 1 1 A 30 30 PRO CB C 30 31.900 31.726 0.174 1
1 365 . 4 1 1 A 31 31 LYS H H 31 8.370 7.614 0.756 1
1 366 . 4 1 1 A 31 31 LYS HA H 31 4.170 4.590 -0.420 1
1 375 . 4 1 1 A 31 31 LYS C C 31 177.700 176.062 1.638 1
1 376 . 4 1 1 A 31 31 LYS CA C 31 57.300 57.344 -0.044 1
1 377 . 4 1 1 A 31 31 LYS CB C 31 32.000 34.683 -2.683 1
1 381 . 4 1 1 A 31 31 LYS N N 31 121.500 116.362 5.138 1
1 382 . 4 1 1 A 32 32 GLY H H 32 8.720 8.025 0.695 1
1 383 . 4 1 1 A 32 32 GLY HA2 H 32 3.780 3.961 -0.181 1
1 384 . 4 1 1 A 32 32 GLY HA3 H 32 4.120 3.962 0.158 1
1 385 . 4 1 1 A 32 32 GLY C C 32 173.900 172.932 0.968 1
1 386 . 4 1 1 A 32 32 GLY CA C 32 45.700 46.365 -0.665 1
1 387 . 4 1 1 A 32 32 GLY N N 32 112.200 107.277 4.923 1
1 388 . 4 1 1 A 33 33 ARG H H 33 7.790 7.688 0.102 1
1 389 . 4 1 1 A 33 33 ARG HA H 33 4.590 4.739 -0.149 1
1 396 . 4 1 1 A 33 33 ARG C C 33 175.200 175.645 -0.445 1
1 397 . 4 1 1 A 33 33 ARG CA C 33 54.700 55.412 -0.712 1
1 398 . 4 1 1 A 33 33 ARG CB C 33 32.300 33.833 -1.533 1
1 401 . 4 1 1 A 33 33 ARG N N 33 118.800 123.978 -5.178 1
1 402 . 4 1 1 A 34 34 LYS H H 34 8.190 8.694 -0.504 1
1 403 . 4 1 1 A 34 34 LYS HA H 34 4.280 4.053 0.227 1
1 412 . 4 1 1 A 34 34 LYS C C 34 176.700 177.272 -0.572 1
1 413 . 4 1 1 A 34 34 LYS CA C 34 56.800 57.803 -1.003 1
1 414 . 4 1 1 A 34 34 LYS CB C 34 32.900 33.113 -0.213 1
1 418 . 4 1 1 A 34 34 LYS N N 34 120.600 122.474 -1.874 1
1 419 . 4 1 1 A 35 35 GLY H H 35 8.490 7.752 0.738 1
1 420 . 4 1 1 A 35 35 GLY HA2 H 35 3.900 4.050 -0.150 1
1 421 . 4 1 1 A 35 35 GLY HA3 H 35 4.260 4.051 0.209 1
1 422 . 4 1 1 A 35 35 GLY C C 35 173.200 173.109 0.091 1
1 423 . 4 1 1 A 35 35 GLY CA C 35 45.500 44.868 0.632 1
1 424 . 4 1 1 A 35 35 GLY N N 35 110.400 105.962 4.438 1
1 425 . 4 1 1 A 36 36 VAL H H 36 8.130 8.846 -0.716 1
1 426 . 4 1 1 A 36 36 VAL HA H 36 4.380 4.118 0.262 1
1 434 . 4 1 1 A 36 36 VAL C C 36 174.100 174.898 -0.798 1
1 435 . 4 1 1 A 36 36 VAL CA C 36 61.500 62.165 -0.665 1
1 436 . 4 1 1 A 36 36 VAL CB C 36 34.700 31.027 3.673 1
1 438 . 4 1 1 A 36 36 VAL N N 36 119.000 124.926 -5.926 1
1 439 . 4 1 1 A 37 37 LYS H H 37 9.020 8.385 0.635 1
1 440 . 4 1 1 A 37 37 LYS HA H 37 5.070 4.700 0.370 1
1 449 . 4 1 1 A 37 37 LYS C C 37 174.700 175.721 -1.021 1
1 450 . 4 1 1 A 37 37 LYS CA C 37 55.400 56.230 -0.830 1
1 451 . 4 1 1 A 37 37 LYS CB C 37 35.700 32.988 2.712 1
1 455 . 4 1 1 A 37 37 LYS N N 37 125.600 127.269 -1.669 1
1 456 . 4 1 1 A 38 38 ILE H H 38 8.860 8.975 -0.115 1
1 457 . 4 1 1 A 38 38 ILE HA H 38 4.390 4.782 -0.392 1
1 467 . 4 1 1 A 38 38 ILE C C 38 173.100 174.227 -1.127 1
1 468 . 4 1 1 A 38 38 ILE CA C 38 59.000 59.344 -0.344 1
1 469 . 4 1 1 A 38 38 ILE CB C 38 40.900 41.140 -0.240 1
1 473 . 4 1 1 A 38 38 ILE N N 38 123.300 124.459 -1.159 1
1 474 . 4 1 1 A 39 39 GLY H H 39 8.600 8.715 -0.115 1
1 475 . 4 1 1 A 39 39 GLY HA2 H 39 2.920 3.793 -0.873 1
1 476 . 4 1 1 A 39 39 GLY HA3 H 39 5.060 3.802 1.258 1
1 477 . 4 1 1 A 39 39 GLY C C 39 170.400 171.147 -0.747 1
1 478 . 4 1 1 A 39 39 GLY CA C 39 43.800 43.441 0.359 1
1 479 . 4 1 1 A 39 39 GLY N N 39 109.500 114.143 -4.643 1
1 480 . 4 1 1 A 40 40 LEU H H 40 8.090 8.449 -0.359 1
1 481 . 4 1 1 A 40 40 LEU HA H 40 4.870 4.951 -0.081 1
1 491 . 4 1 1 A 40 40 LEU C C 40 174.100 174.432 -0.332 1
1 492 . 4 1 1 A 40 40 LEU CA C 40 53.400 53.302 0.098 1
1 493 . 4 1 1 A 40 40 LEU CB C 40 45.500 44.116 1.384 1
1 497 . 4 1 1 A 40 40 LEU N N 40 122.200 124.231 -2.031 1
1 498 . 4 1 1 A 41 41 PHE H H 41 9.180 9.695 -0.515 1
1 499 . 4 1 1 A 41 41 PHE HA H 41 4.620 5.079 -0.459 1
1 507 . 4 1 1 A 41 41 PHE C C 41 173.000 173.963 -0.963 1
1 508 . 4 1 1 A 41 41 PHE CA C 41 56.000 56.239 -0.239 1
1 509 . 4 1 1 A 41 41 PHE CB C 41 43.400 42.903 0.497 1
1 515 . 4 1 1 A 41 41 PHE N N 41 124.600 125.787 -1.187 1
1 516 . 4 1 1 A 42 42 LYS H H 42 8.460 8.953 -0.493 1
1 517 . 4 1 1 A 42 42 LYS HA H 42 4.320 4.704 -0.384 1
1 526 . 4 1 1 A 42 42 LYS C C 42 175.800 175.414 0.386 1
1 527 . 4 1 1 A 42 42 LYS CA C 42 54.700 54.186 0.514 1
1 528 . 4 1 1 A 42 42 LYS CB C 42 34.500 34.625 -0.125 1
1 532 . 4 1 1 A 42 42 LYS N N 42 120.800 121.540 -0.740 1
1 533 . 4 1 1 A 43 43 ASP H H 43 8.970 9.281 -0.311 1
1 534 . 4 1 1 A 43 43 ASP HA H 43 4.720 4.902 -0.182 1
1 537 . 4 1 1 A 43 43 ASP C C 43 175.800 175.741 0.059 1
1 538 . 4 1 1 A 43 43 ASP CA C 43 52.100 51.712 0.388 1
1 539 . 4 1 1 A 43 43 ASP CB C 43 42.700 42.014 0.686 1
1 540 . 4 1 1 A 43 43 ASP N N 43 127.600 126.730 0.870 1
1 541 . 4 1 1 A 44 44 PRO HA H 44 4.320 4.498 -0.178 1
1 548 . 4 1 1 A 44 44 PRO C C 44 177.900 177.086 0.814 1
1 549 . 4 1 1 A 44 44 PRO CA C 44 64.300 63.962 0.338 1
1 550 . 4 1 1 A 44 44 PRO CB C 44 32.300 32.095 0.205 1
1 553 . 4 1 1 A 45 45 GLU H H 45 8.320 8.341 -0.021 1
1 554 . 4 1 1 A 45 45 GLU HA H 45 4.230 4.320 -0.090 1
1 559 . 4 1 1 A 45 45 GLU C C 45 177.800 178.402 -0.602 1
1 560 . 4 1 1 A 45 45 GLU CA C 45 58.600 59.022 -0.422 1
1 561 . 4 1 1 A 45 45 GLU CB C 45 30.700 30.755 -0.055 1
1 563 . 4 1 1 A 45 45 GLU N N 45 116.000 116.888 -0.888 1
1 564 . 4 1 1 A 46 46 THR H H 46 7.320 8.838 -1.518 1
1 565 . 4 1 1 A 46 46 THR HA H 46 4.460 4.440 0.020 1
1 570 . 4 1 1 A 46 46 THR C C 46 176.300 176.171 0.129 1
1 571 . 4 1 1 A 46 46 THR CA C 46 61.700 62.239 -0.539 1
1 572 . 4 1 1 A 46 46 THR CB C 46 71.500 70.709 0.791 1
1 574 . 4 1 1 A 46 46 THR N N 46 105.100 107.899 -2.799 1
1 575 . 4 1 1 A 47 47 GLY H H 47 8.550 8.437 0.113 1
1 576 . 4 1 1 A 47 47 GLY HA2 H 47 3.570 3.885 -0.315 1
1 577 . 4 1 1 A 47 47 GLY HA3 H 47 4.160 3.910 0.250 1
1 578 . 4 1 1 A 47 47 GLY C C 47 173.200 174.177 -0.977 1
1 579 . 4 1 1 A 47 47 GLY CA C 47 45.700 45.644 0.056 1
1 580 . 4 1 1 A 47 47 GLY N N 47 111.500 112.504 -1.004 1
1 581 . 4 1 1 A 48 48 LYS H H 48 7.700 7.750 -0.050 1
1 582 . 4 1 1 A 48 48 LYS HA H 48 4.410 4.882 -0.472 1
1 591 . 4 1 1 A 48 48 LYS C C 48 176.600 175.142 1.458 1
1 592 . 4 1 1 A 48 48 LYS CA C 48 55.800 54.840 0.960 1
1 593 . 4 1 1 A 48 48 LYS CB C 48 33.900 35.060 -1.160 1
1 597 . 4 1 1 A 48 48 LYS N N 48 118.800 116.377 2.423 1
1 598 . 4 1 1 A 49 49 TYR H H 49 8.740 9.065 -0.325 1
1 599 . 4 1 1 A 49 49 TYR HA H 49 5.670 5.835 -0.165 1
1 606 . 4 1 1 A 49 49 TYR C C 49 177.400 175.713 1.687 1
1 607 . 4 1 1 A 49 49 TYR CA C 49 58.200 56.427 1.773 1
1 608 . 4 1 1 A 49 49 TYR CB C 49 40.300 39.878 0.422 1
1 613 . 4 1 1 A 49 49 TYR N N 49 121.100 119.845 1.255 1
1 614 . 4 1 1 A 50 50 PHE H H 50 9.630 9.530 0.100 1
1 615 . 4 1 1 A 50 50 PHE HA H 50 5.150 5.823 -0.673 1
1 623 . 4 1 1 A 50 50 PHE C C 50 172.500 173.508 -1.008 1
1 624 . 4 1 1 A 50 50 PHE CA C 50 56.200 55.276 0.924 1
1 625 . 4 1 1 A 50 50 PHE CB C 50 41.400 42.917 -1.517 1
1 631 . 4 1 1 A 50 50 PHE N N 50 118.400 119.718 -1.318 1
1 632 . 4 1 1 A 51 51 ARG H H 51 8.940 8.988 -0.048 1
1 633 . 4 1 1 A 51 51 ARG HA H 51 5.740 5.363 0.377 1
1 640 . 4 1 1 A 51 51 ARG C C 51 176.600 174.999 1.601 1
1 641 . 4 1 1 A 51 51 ARG CA C 51 54.900 55.407 -0.507 1
1 642 . 4 1 1 A 51 51 ARG CB C 51 32.700 31.837 0.863 1
1 645 . 4 1 1 A 51 51 ARG N N 51 120.700 119.626 1.074 1
1 646 . 4 1 1 A 52 52 HIS H H 52 9.130 8.970 0.160 1
1 647 . 4 1 1 A 52 52 HIS HA H 52 4.730 5.409 -0.679 1
1 651 . 4 1 1 A 52 52 HIS C C 52 173.900 172.783 1.117 1
1 652 . 4 1 1 A 52 52 HIS CA C 52 56.600 55.687 0.913 1
1 653 . 4 1 1 A 52 52 HIS CB C 52 33.700 33.927 -0.227 1
1 655 . 4 1 1 A 52 52 HIS N N 52 120.400 122.102 -1.702 1
1 656 . 4 1 1 A 53 53 LYS H H 53 8.770 7.926 0.844 1
1 657 . 4 1 1 A 53 53 LYS HA H 53 4.590 4.435 0.155 1
1 666 . 4 1 1 A 53 53 LYS C C 53 176.700 176.401 0.299 1
1 667 . 4 1 1 A 53 53 LYS CA C 53 58.000 56.597 1.403 1
1 668 . 4 1 1 A 53 53 LYS CB C 53 33.300 33.213 0.087 1
1 672 . 4 1 1 A 53 53 LYS N N 53 127.500 126.886 0.614 1
1 673 . 4 1 1 A 54 54 LEU H H 54 8.690 9.127 -0.437 1
1 674 . 4 1 1 A 54 54 LEU HA H 54 4.830 4.737 0.093 1
1 684 . 4 1 1 A 54 54 LEU C C 54 173.900 174.416 -0.516 1
1 685 . 4 1 1 A 54 54 LEU CA C 54 51.700 52.462 -0.762 1
1 686 . 4 1 1 A 54 54 LEU CB C 54 41.400 41.844 -0.444 1
1 690 . 4 1 1 A 54 54 LEU N N 54 125.400 126.374 -0.974 1
1 691 . 4 1 1 A 55 55 PRO HA H 55 4.420 4.640 -0.220 1
1 698 . 4 1 1 A 55 55 PRO C C 55 177.100 177.121 -0.021 1
1 699 . 4 1 1 A 55 55 PRO CA C 55 62.900 62.865 0.035 1
1 700 . 4 1 1 A 55 55 PRO CB C 55 32.500 32.526 -0.026 1
1 703 . 4 1 1 A 56 56 ASP H H 56 8.740 8.780 -0.040 1
1 704 . 4 1 1 A 56 56 ASP HA H 56 4.440 4.303 0.137 1
1 707 . 4 1 1 A 56 56 ASP C C 56 177.200 177.121 0.079 1
1 708 . 4 1 1 A 56 56 ASP CA C 56 57.500 56.275 1.225 1
1 709 . 4 1 1 A 56 56 ASP CB C 56 40.500 40.031 0.469 1
1 710 . 4 1 1 A 56 56 ASP N N 56 120.700 123.826 -3.126 1
1 711 . 4 1 1 A 57 57 ASP H H 57 8.350 7.823 0.527 1
1 712 . 4 1 1 A 57 57 ASP HA H 57 4.620 4.678 -0.058 1
1 715 . 4 1 1 A 57 57 ASP C C 57 176.300 175.782 0.518 1
1 716 . 4 1 1 A 57 57 ASP CA C 57 52.600 54.603 -2.003 1
1 717 . 4 1 1 A 57 57 ASP CB C 57 39.500 41.141 -1.641 1
1 718 . 4 1 1 A 57 57 ASP N N 57 116.400 119.293 -2.893 1
1 719 . 4 1 1 A 58 58 TYR H H 58 7.890 7.819 0.071 1
1 720 . 4 1 1 A 58 58 TYR HA H 58 4.350 4.784 -0.434 1
1 727 . 4 1 1 A 58 58 TYR C C 58 174.400 174.448 -0.048 1
1 728 . 4 1 1 A 58 58 TYR CA C 58 58.400 56.965 1.435 1
1 729 . 4 1 1 A 58 58 TYR CB C 58 40.300 39.615 0.685 1
1 734 . 4 1 1 A 58 58 TYR N N 58 125.500 121.892 3.608 1
1 735 . 4 1 1 A 59 59 PRO HA H 59 4.360 4.657 -0.297 1
1 742 . 4 1 1 A 59 59 PRO C C 59 174.700 176.568 -1.868 1
1 743 . 4 1 1 A 59 59 PRO CA C 59 63.400 62.236 1.164 1
1 744 . 4 1 1 A 59 59 PRO CB C 59 31.100 31.797 -0.697 1
1 1 . 5 1 1 A 3 3 SER HA H 3 4.520 4.562 -0.042 1
1 4 . 5 1 1 A 3 3 SER C C 3 174.700 174.902 -0.202 1
1 5 . 5 1 1 A 3 3 SER CA C 3 58.400 60.086 -1.686 1
1 6 . 5 1 1 A 3 3 SER CB C 3 64.000 64.707 -0.707 1
1 7 . 5 1 1 A 4 4 GLY H H 4 8.350 8.240 0.110 1
1 8 . 5 1 1 A 4 4 GLY HA2 H 4 3.910 3.983 -0.073 1
1 9 . 5 1 1 A 4 4 GLY HA3 H 4 4.050 3.991 0.059 1
1 10 . 5 1 1 A 4 4 GLY C C 4 173.800 173.547 0.253 1
1 11 . 5 1 1 A 4 4 GLY CA C 4 45.300 46.807 -1.507 1
1 12 . 5 1 1 A 4 4 GLY N N 4 110.300 108.704 1.596 1
1 13 . 5 1 1 A 5 5 LYS H H 5 8.110 7.997 0.113 1
1 14 . 5 1 1 A 5 5 LYS HA H 5 4.310 4.732 -0.422 1
1 23 . 5 1 1 A 5 5 LYS C C 5 175.700 175.426 0.274 1
1 24 . 5 1 1 A 5 5 LYS CA C 5 56.100 55.002 1.098 1
1 25 . 5 1 1 A 5 5 LYS CB C 5 33.200 34.867 -1.667 1
1 29 . 5 1 1 A 5 5 LYS N N 5 120.500 122.140 -1.640 1
1 30 . 5 1 1 A 6 6 LYS H H 6 7.980 9.144 -1.164 1
1 31 . 5 1 1 A 6 6 LYS HA H 6 4.730 4.994 -0.264 1
1 40 . 5 1 1 A 6 6 LYS C C 6 174.800 173.998 0.802 1
1 41 . 5 1 1 A 6 6 LYS CA C 6 54.000 53.961 0.039 1
1 42 . 5 1 1 A 6 6 LYS CB C 6 33.300 35.863 -2.563 1
1 46 . 5 1 1 A 6 6 LYS N N 6 121.900 123.270 -1.370 1
1 47 . 5 1 1 A 7 7 PRO HA H 7 4.610 4.925 -0.315 1
1 54 . 5 1 1 A 7 7 PRO C C 7 175.900 175.296 0.604 1
1 55 . 5 1 1 A 7 7 PRO CA C 7 62.500 62.518 -0.018 1
1 56 . 5 1 1 A 7 7 PRO CB C 7 32.600 32.821 -0.221 1
1 59 . 5 1 1 A 8 8 VAL H H 8 9.040 8.973 0.067 1
1 60 . 5 1 1 A 8 8 VAL HA H 8 4.430 4.757 -0.327 1
1 68 . 5 1 1 A 8 8 VAL C C 8 173.900 173.724 0.176 1
1 69 . 5 1 1 A 8 8 VAL CA C 8 60.200 59.776 0.424 1
1 70 . 5 1 1 A 8 8 VAL CB C 8 35.600 35.899 -0.299 1
1 73 . 5 1 1 A 8 8 VAL N N 8 119.900 121.581 -1.681 1
1 74 . 5 1 1 A 9 9 LYS H H 9 8.390 8.435 -0.045 1
1 75 . 5 1 1 A 9 9 LYS HA H 9 4.610 4.427 0.183 1
1 84 . 5 1 1 A 9 9 LYS C C 9 175.500 175.217 0.283 1
1 85 . 5 1 1 A 9 9 LYS CA C 9 56.800 56.735 0.065 1
1 86 . 5 1 1 A 9 9 LYS CB C 9 31.700 32.643 -0.943 1
1 90 . 5 1 1 A 9 9 LYS N N 9 125.800 128.821 -3.021 1
1 91 . 5 1 1 A 10 10 VAL H H 10 8.740 8.898 -0.158 1
1 92 . 5 1 1 A 10 10 VAL HA H 10 4.040 4.692 -0.652 1
1 100 . 5 1 1 A 10 10 VAL C C 10 173.600 173.970 -0.370 1
1 101 . 5 1 1 A 10 10 VAL CA C 10 58.600 59.257 -0.657 1
1 102 . 5 1 1 A 10 10 VAL CB C 10 35.200 34.361 0.839 1
1 105 . 5 1 1 A 10 10 VAL N N 10 120.700 126.278 -5.578 1
1 106 . 5 1 1 A 11 11 LYS H H 11 7.320 8.102 -0.782 1
1 107 . 5 1 1 A 11 11 LYS HA H 11 5.000 4.515 0.485 1
1 116 . 5 1 1 A 11 11 LYS C C 11 176.600 176.636 -0.036 1
1 117 . 5 1 1 A 11 11 LYS CA C 11 54.800 55.687 -0.887 1
1 118 . 5 1 1 A 11 11 LYS CB C 11 33.700 33.045 0.655 1
1 122 . 5 1 1 A 11 11 LYS N N 11 120.600 126.323 -5.723 1
1 123 . 5 1 1 A 12 12 THR H H 12 8.950 9.168 -0.218 1
1 124 . 5 1 1 A 12 12 THR HA H 12 3.700 4.487 -0.787 1
1 129 . 5 1 1 A 12 12 THR C C 12 175.100 174.824 0.276 1
1 130 . 5 1 1 A 12 12 THR CA C 12 59.700 59.620 0.080 1
1 131 . 5 1 1 A 12 12 THR CB C 12 67.700 68.948 -1.248 1
1 133 . 5 1 1 A 12 12 THR N N 12 115.400 117.651 -2.251 1
1 134 . 5 1 1 A 13 13 PRO HA H 13 4.180 4.398 -0.218 1
1 141 . 5 1 1 A 13 13 PRO C C 13 177.000 177.391 -0.391 1
1 142 . 5 1 1 A 13 13 PRO CA C 13 65.000 63.911 1.089 1
1 143 . 5 1 1 A 13 13 PRO CB C 13 31.400 31.656 -0.256 1
1 146 . 5 1 1 A 14 14 ALA H H 14 7.240 7.024 0.216 1
1 147 . 5 1 1 A 14 14 ALA HA H 14 4.310 4.177 0.133 1
1 151 . 5 1 1 A 14 14 ALA C C 14 177.900 177.665 0.235 1
1 152 . 5 1 1 A 14 14 ALA CA C 14 52.200 52.472 -0.272 1
1 153 . 5 1 1 A 14 14 ALA CB C 14 19.000 19.452 -0.452 1
1 154 . 5 1 1 A 14 14 ALA N N 14 116.100 117.684 -1.584 1
1 155 . 5 1 1 A 15 15 GLY H H 15 8.310 8.019 0.291 1
1 156 . 5 1 1 A 15 15 GLY HA2 H 15 3.520 3.907 -0.387 1
1 157 . 5 1 1 A 15 15 GLY HA3 H 15 4.220 3.916 0.304 1
1 158 . 5 1 1 A 15 15 GLY C C 15 174.000 173.680 0.320 1
1 159 . 5 1 1 A 15 15 GLY CA C 15 45.300 45.153 0.147 1
1 160 . 5 1 1 A 15 15 GLY N N 15 107.000 106.606 0.394 1
1 161 . 5 1 1 A 16 16 LYS H H 16 6.960 7.262 -0.302 1
1 162 . 5 1 1 A 16 16 LYS HA H 16 4.490 4.885 -0.395 1
1 171 . 5 1 1 A 16 16 LYS C C 16 175.400 174.947 0.453 1
1 172 . 5 1 1 A 16 16 LYS CA C 16 54.800 54.056 0.744 1
1 173 . 5 1 1 A 16 16 LYS CB C 16 33.900 35.884 -1.984 1
1 177 . 5 1 1 A 16 16 LYS N N 16 119.200 116.059 3.141 1
1 178 . 5 1 1 A 17 17 GLU H H 17 8.520 8.488 0.032 1
1 179 . 5 1 1 A 17 17 GLU HA H 17 4.990 4.900 0.090 1
1 184 . 5 1 1 A 17 17 GLU C C 17 175.800 175.633 0.167 1
1 185 . 5 1 1 A 17 17 GLU CA C 17 55.900 55.383 0.517 1
1 186 . 5 1 1 A 17 17 GLU CB C 17 30.900 30.922 -0.022 1
1 188 . 5 1 1 A 17 17 GLU N N 17 122.200 120.597 1.603 1
1 189 . 5 1 1 A 18 18 ALA H H 18 8.870 9.112 -0.242 1
1 190 . 5 1 1 A 18 18 ALA HA H 18 4.620 5.126 -0.506 1
1 194 . 5 1 1 A 18 18 ALA C C 18 174.600 175.674 -1.074 1
1 195 . 5 1 1 A 18 18 ALA CA C 18 51.000 50.446 0.554 1
1 196 . 5 1 1 A 18 18 ALA CB C 18 22.300 22.610 -0.310 1
1 197 . 5 1 1 A 18 18 ALA N N 18 127.200 127.448 -0.248 1
1 198 . 5 1 1 A 19 19 GLU H H 19 8.450 8.611 -0.161 1
1 199 . 5 1 1 A 19 19 GLU HA H 19 4.830 4.871 -0.041 1
1 204 . 5 1 1 A 19 19 GLU C C 19 175.200 175.349 -0.149 1
1 205 . 5 1 1 A 19 19 GLU CA C 19 55.400 56.208 -0.808 1
1 206 . 5 1 1 A 19 19 GLU CB C 19 30.100 30.181 -0.081 1
1 208 . 5 1 1 A 19 19 GLU N N 19 121.700 122.117 -0.417 1
1 209 . 5 1 1 A 20 20 LEU H H 20 8.470 8.768 -0.298 1
1 210 . 5 1 1 A 20 20 LEU HA H 20 5.030 5.113 -0.083 1
1 220 . 5 1 1 A 20 20 LEU C C 20 175.600 175.304 0.296 1
1 221 . 5 1 1 A 20 20 LEU CA C 20 53.000 53.446 -0.446 1
1 222 . 5 1 1 A 20 20 LEU CB C 20 47.600 45.196 2.404 1
1 226 . 5 1 1 A 20 20 LEU N N 20 124.600 126.328 -1.728 1
1 227 . 5 1 1 A 21 21 VAL H H 21 8.880 9.109 -0.229 1
1 228 . 5 1 1 A 21 21 VAL HA H 21 4.540 4.925 -0.385 1
1 236 . 5 1 1 A 21 21 VAL C C 21 175.000 174.336 0.664 1
1 237 . 5 1 1 A 21 21 VAL CA C 21 59.400 59.249 0.151 1
1 238 . 5 1 1 A 21 21 VAL CB C 21 33.300 33.769 -0.469 1
1 241 . 5 1 1 A 21 21 VAL N N 21 123.200 123.367 -0.167 1
1 242 . 5 1 1 A 22 22 PRO HA H 22 3.520 4.269 -0.749 1
1 249 . 5 1 1 A 22 22 PRO C C 22 176.300 177.460 -1.160 1
1 250 . 5 1 1 A 22 22 PRO CA C 22 62.600 62.447 0.153 1
1 251 . 5 1 1 A 22 22 PRO CB C 22 30.800 32.085 -1.285 1
1 254 . 5 1 1 A 23 23 GLU H H 23 8.830 8.937 -0.107 1
1 255 . 5 1 1 A 23 23 GLU HA H 23 4.070 4.275 -0.205 1
1 260 . 5 1 1 A 23 23 GLU C C 23 176.700 176.197 0.503 1
1 261 . 5 1 1 A 23 23 GLU CA C 23 57.700 59.300 -1.600 1
1 262 . 5 1 1 A 23 23 GLU CB C 23 30.900 30.777 0.123 1
1 264 . 5 1 1 A 23 23 GLU N N 23 121.200 121.457 -0.257 1
1 265 . 5 1 1 A 24 24 LYS H H 24 7.120 7.619 -0.499 1
1 266 . 5 1 1 A 24 24 LYS HA H 24 4.480 4.786 -0.306 1
1 275 . 5 1 1 A 24 24 LYS C C 24 173.900 174.588 -0.688 1
1 276 . 5 1 1 A 24 24 LYS CA C 24 55.000 55.202 -0.202 1
1 277 . 5 1 1 A 24 24 LYS CB C 24 36.800 35.848 0.952 1
1 281 . 5 1 1 A 24 24 LYS N N 24 114.600 115.172 -0.572 1
1 282 . 5 1 1 A 25 25 VAL H H 25 8.240 8.743 -0.503 1
1 283 . 5 1 1 A 25 25 VAL HA H 25 5.030 5.094 -0.064 1
1 291 . 5 1 1 A 25 25 VAL C C 25 174.500 174.689 -0.189 1
1 292 . 5 1 1 A 25 25 VAL CA C 25 60.200 59.947 0.253 1
1 293 . 5 1 1 A 25 25 VAL CB C 25 35.400 35.790 -0.390 1
1 296 . 5 1 1 A 25 25 VAL N N 25 117.400 117.631 -0.231 1
1 297 . 5 1 1 A 26 26 TRP H H 26 9.130 8.872 0.258 1
1 298 . 5 1 1 A 26 26 TRP HA H 26 4.880 5.372 -0.492 1
1 307 . 5 1 1 A 26 26 TRP C C 26 172.600 173.651 -1.051 1
1 308 . 5 1 1 A 26 26 TRP CA C 26 57.800 55.667 2.133 1
1 309 . 5 1 1 A 26 26 TRP CB C 26 31.500 31.764 -0.264 1
1 315 . 5 1 1 A 26 26 TRP N N 26 122.500 120.628 1.872 1
1 317 . 5 1 1 A 27 27 ALA H H 27 8.640 8.889 -0.249 1
1 318 . 5 1 1 A 27 27 ALA HA H 27 5.170 5.328 -0.158 1
1 322 . 5 1 1 A 27 27 ALA C C 27 177.000 176.082 0.918 1
1 323 . 5 1 1 A 27 27 ALA CA C 27 50.500 50.372 0.128 1
1 324 . 5 1 1 A 27 27 ALA CB C 27 21.000 22.531 -1.531 1
1 325 . 5 1 1 A 27 27 ALA N N 27 122.200 122.195 0.005 1
1 326 . 5 1 1 A 28 28 LEU H H 28 8.860 9.178 -0.318 1
1 327 . 5 1 1 A 28 28 LEU HA H 28 4.590 4.784 -0.194 1
1 337 . 5 1 1 A 28 28 LEU C C 28 176.100 175.641 0.459 1
1 338 . 5 1 1 A 28 28 LEU CA C 28 54.500 54.336 0.164 1
1 339 . 5 1 1 A 28 28 LEU CB C 28 43.100 40.843 2.257 1
1 343 . 5 1 1 A 28 28 LEU N N 28 123.300 122.782 0.518 1
1 344 . 5 1 1 A 29 29 ALA H H 29 8.540 8.260 0.280 1
1 345 . 5 1 1 A 29 29 ALA HA H 29 4.820 4.953 -0.133 1
1 349 . 5 1 1 A 29 29 ALA C C 29 174.300 175.078 -0.778 1
1 350 . 5 1 1 A 29 29 ALA CA C 29 50.000 49.572 0.428 1
1 351 . 5 1 1 A 29 29 ALA CB C 29 19.000 19.345 -0.345 1
1 352 . 5 1 1 A 29 29 ALA N N 29 125.900 127.080 -1.180 1
1 353 . 5 1 1 A 30 30 PRO HA H 30 4.440 4.588 -0.148 1
1 360 . 5 1 1 A 30 30 PRO C C 30 176.800 177.230 -0.430 1
1 361 . 5 1 1 A 30 30 PRO CA C 30 62.600 62.677 -0.077 1
1 362 . 5 1 1 A 30 30 PRO CB C 30 31.900 30.181 1.719 1
1 365 . 5 1 1 A 31 31 LYS H H 31 8.370 8.295 0.075 1
1 366 . 5 1 1 A 31 31 LYS HA H 31 4.170 4.251 -0.081 1
1 375 . 5 1 1 A 31 31 LYS C C 31 177.700 175.980 1.720 1
1 376 . 5 1 1 A 31 31 LYS CA C 31 57.300 57.838 -0.538 1
1 377 . 5 1 1 A 31 31 LYS CB C 31 32.000 31.284 0.716 1
1 381 . 5 1 1 A 31 31 LYS N N 31 121.500 123.061 -1.561 1
1 382 . 5 1 1 A 32 32 GLY H H 32 8.720 8.760 -0.040 1
1 383 . 5 1 1 A 32 32 GLY HA2 H 32 3.780 3.967 -0.187 1
1 384 . 5 1 1 A 32 32 GLY HA3 H 32 4.120 3.967 0.153 1
1 385 . 5 1 1 A 32 32 GLY C C 32 173.900 172.619 1.281 1
1 386 . 5 1 1 A 32 32 GLY CA C 32 45.700 46.457 -0.757 1
1 387 . 5 1 1 A 32 32 GLY N N 32 112.200 106.400 5.800 1
1 388 . 5 1 1 A 33 33 ARG H H 33 7.790 7.969 -0.179 1
1 389 . 5 1 1 A 33 33 ARG HA H 33 4.590 4.762 -0.172 1
1 396 . 5 1 1 A 33 33 ARG C C 33 175.200 175.812 -0.612 1
1 397 . 5 1 1 A 33 33 ARG CA C 33 54.700 55.232 -0.532 1
1 398 . 5 1 1 A 33 33 ARG CB C 33 32.300 34.303 -2.003 1
1 401 . 5 1 1 A 33 33 ARG N N 33 118.800 123.296 -4.496 1
1 402 . 5 1 1 A 34 34 LYS H H 34 8.190 8.696 -0.506 1
1 403 . 5 1 1 A 34 34 LYS HA H 34 4.280 4.138 0.142 1
1 412 . 5 1 1 A 34 34 LYS C C 34 176.700 176.807 -0.107 1
1 413 . 5 1 1 A 34 34 LYS CA C 34 56.800 57.181 -0.381 1
1 414 . 5 1 1 A 34 34 LYS CB C 34 32.900 32.964 -0.064 1
1 418 . 5 1 1 A 34 34 LYS N N 34 120.600 122.565 -1.965 1
1 419 . 5 1 1 A 35 35 GLY H H 35 8.490 7.828 0.662 1
1 420 . 5 1 1 A 35 35 GLY HA2 H 35 3.900 4.043 -0.143 1
1 421 . 5 1 1 A 35 35 GLY HA3 H 35 4.260 4.043 0.217 1
1 422 . 5 1 1 A 35 35 GLY C C 35 173.200 173.287 -0.087 1
1 423 . 5 1 1 A 35 35 GLY CA C 35 45.500 44.833 0.667 1
1 424 . 5 1 1 A 35 35 GLY N N 35 110.400 108.364 2.036 1
1 425 . 5 1 1 A 36 36 VAL H H 36 8.130 7.941 0.189 1
1 426 . 5 1 1 A 36 36 VAL HA H 36 4.380 4.385 -0.005 1
1 434 . 5 1 1 A 36 36 VAL C C 36 174.100 175.372 -1.272 1
1 435 . 5 1 1 A 36 36 VAL CA C 36 61.500 61.395 0.105 1
1 436 . 5 1 1 A 36 36 VAL CB C 36 34.700 31.678 3.022 1
1 438 . 5 1 1 A 36 36 VAL N N 36 119.000 121.870 -2.870 1
1 439 . 5 1 1 A 37 37 LYS H H 37 9.020 8.799 0.221 1
1 440 . 5 1 1 A 37 37 LYS HA H 37 5.070 4.649 0.421 1
1 449 . 5 1 1 A 37 37 LYS C C 37 174.700 175.674 -0.974 1
1 450 . 5 1 1 A 37 37 LYS CA C 37 55.400 56.172 -0.772 1
1 451 . 5 1 1 A 37 37 LYS CB C 37 35.700 33.044 2.656 1
1 455 . 5 1 1 A 37 37 LYS N N 37 125.600 127.024 -1.424 1
1 456 . 5 1 1 A 38 38 ILE H H 38 8.860 8.835 0.025 1
1 457 . 5 1 1 A 38 38 ILE HA H 38 4.390 4.765 -0.375 1
1 467 . 5 1 1 A 38 38 ILE C C 38 173.100 174.198 -1.098 1
1 468 . 5 1 1 A 38 38 ILE CA C 38 59.000 59.300 -0.300 1
1 469 . 5 1 1 A 38 38 ILE CB C 38 40.900 41.501 -0.601 1
1 473 . 5 1 1 A 38 38 ILE N N 38 123.300 124.035 -0.735 1
1 474 . 5 1 1 A 39 39 GLY H H 39 8.600 8.762 -0.162 1
1 475 . 5 1 1 A 39 39 GLY HA2 H 39 2.920 3.876 -0.956 1
1 476 . 5 1 1 A 39 39 GLY HA3 H 39 5.060 3.878 1.182 1
1 477 . 5 1 1 A 39 39 GLY C C 39 170.400 171.324 -0.924 1
1 478 . 5 1 1 A 39 39 GLY CA C 39 43.800 43.551 0.249 1
1 479 . 5 1 1 A 39 39 GLY N N 39 109.500 113.929 -4.429 1
1 480 . 5 1 1 A 40 40 LEU H H 40 8.090 8.761 -0.671 1
1 481 . 5 1 1 A 40 40 LEU HA H 40 4.870 4.866 0.004 1
1 491 . 5 1 1 A 40 40 LEU C C 40 174.100 174.623 -0.523 1
1 492 . 5 1 1 A 40 40 LEU CA C 40 53.400 53.376 0.024 1
1 493 . 5 1 1 A 40 40 LEU CB C 40 45.500 44.122 1.378 1
1 497 . 5 1 1 A 40 40 LEU N N 40 122.200 124.244 -2.044 1
1 498 . 5 1 1 A 41 41 PHE H H 41 9.180 9.582 -0.402 1
1 499 . 5 1 1 A 41 41 PHE HA H 41 4.620 5.031 -0.411 1
1 507 . 5 1 1 A 41 41 PHE C C 41 173.000 173.894 -0.894 1
1 508 . 5 1 1 A 41 41 PHE CA C 41 56.000 56.053 -0.053 1
1 509 . 5 1 1 A 41 41 PHE CB C 41 43.400 42.987 0.413 1
1 515 . 5 1 1 A 41 41 PHE N N 41 124.600 125.520 -0.920 1
1 516 . 5 1 1 A 42 42 LYS H H 42 8.460 8.772 -0.312 1
1 517 . 5 1 1 A 42 42 LYS HA H 42 4.320 5.129 -0.809 1
1 526 . 5 1 1 A 42 42 LYS C C 42 175.800 175.285 0.515 1
1 527 . 5 1 1 A 42 42 LYS CA C 42 54.700 54.351 0.349 1
1 528 . 5 1 1 A 42 42 LYS CB C 42 34.500 35.239 -0.739 1
1 532 . 5 1 1 A 42 42 LYS N N 42 120.800 120.948 -0.148 1
1 533 . 5 1 1 A 43 43 ASP H H 43 8.970 9.175 -0.205 1
1 534 . 5 1 1 A 43 43 ASP HA H 43 4.720 4.910 -0.190 1
1 537 . 5 1 1 A 43 43 ASP C C 43 175.800 176.477 -0.677 1
1 538 . 5 1 1 A 43 43 ASP CA C 43 52.100 52.179 -0.079 1
1 539 . 5 1 1 A 43 43 ASP CB C 43 42.700 42.150 0.550 1
1 540 . 5 1 1 A 43 43 ASP N N 43 127.600 127.192 0.408 1
1 541 . 5 1 1 A 44 44 PRO HA H 44 4.320 4.312 0.008 1
1 548 . 5 1 1 A 44 44 PRO C C 44 177.900 177.695 0.205 1
1 549 . 5 1 1 A 44 44 PRO CA C 44 64.300 64.798 -0.498 1
1 550 . 5 1 1 A 44 44 PRO CB C 44 32.300 32.133 0.167 1
1 553 . 5 1 1 A 45 45 GLU H H 45 8.320 8.477 -0.157 1
1 554 . 5 1 1 A 45 45 GLU HA H 45 4.230 4.301 -0.071 1
1 559 . 5 1 1 A 45 45 GLU C C 45 177.800 177.881 -0.081 1
1 560 . 5 1 1 A 45 45 GLU CA C 45 58.600 57.917 0.683 1
1 561 . 5 1 1 A 45 45 GLU CB C 45 30.700 30.211 0.489 1
1 563 . 5 1 1 A 45 45 GLU N N 45 116.000 116.839 -0.839 1
1 564 . 5 1 1 A 46 46 THR H H 46 7.320 8.476 -1.156 1
1 565 . 5 1 1 A 46 46 THR HA H 46 4.460 4.568 -0.108 1
1 570 . 5 1 1 A 46 46 THR C C 46 176.300 176.296 0.004 1
1 571 . 5 1 1 A 46 46 THR CA C 46 61.700 62.110 -0.410 1
1 572 . 5 1 1 A 46 46 THR CB C 46 71.500 71.207 0.293 1
1 574 . 5 1 1 A 46 46 THR N N 46 105.100 108.486 -3.386 1
1 575 . 5 1 1 A 47 47 GLY H H 47 8.550 8.179 0.371 1
1 576 . 5 1 1 A 47 47 GLY HA2 H 47 3.570 3.939 -0.369 1
1 577 . 5 1 1 A 47 47 GLY HA3 H 47 4.160 3.962 0.198 1
1 578 . 5 1 1 A 47 47 GLY C C 47 173.200 174.400 -1.200 1
1 579 . 5 1 1 A 47 47 GLY CA C 47 45.700 45.617 0.083 1
1 580 . 5 1 1 A 47 47 GLY N N 47 111.500 111.856 -0.356 1
1 581 . 5 1 1 A 48 48 LYS H H 48 7.700 7.861 -0.161 1
1 582 . 5 1 1 A 48 48 LYS HA H 48 4.410 4.558 -0.148 1
1 591 . 5 1 1 A 48 48 LYS C C 48 176.600 175.399 1.201 1
1 592 . 5 1 1 A 48 48 LYS CA C 48 55.800 56.154 -0.354 1
1 593 . 5 1 1 A 48 48 LYS CB C 48 33.900 33.540 0.360 1
1 597 . 5 1 1 A 48 48 LYS N N 48 118.800 120.105 -1.305 1
1 598 . 5 1 1 A 49 49 TYR H H 49 8.740 9.170 -0.430 1
1 599 . 5 1 1 A 49 49 TYR HA H 49 5.670 5.885 -0.215 1
1 606 . 5 1 1 A 49 49 TYR C C 49 177.400 175.912 1.488 1
1 607 . 5 1 1 A 49 49 TYR CA C 49 58.200 56.619 1.581 1
1 608 . 5 1 1 A 49 49 TYR CB C 49 40.300 39.705 0.595 1
1 613 . 5 1 1 A 49 49 TYR N N 49 121.100 120.711 0.389 1
1 614 . 5 1 1 A 50 50 PHE H H 50 9.630 9.152 0.478 1
1 615 . 5 1 1 A 50 50 PHE HA H 50 5.150 5.847 -0.697 1
1 623 . 5 1 1 A 50 50 PHE C C 50 172.500 173.845 -1.345 1
1 624 . 5 1 1 A 50 50 PHE CA C 50 56.200 55.288 0.912 1
1 625 . 5 1 1 A 50 50 PHE CB C 50 41.400 42.864 -1.464 1
1 631 . 5 1 1 A 50 50 PHE N N 50 118.400 120.388 -1.988 1
1 632 . 5 1 1 A 51 51 ARG H H 51 8.940 8.982 -0.042 1
1 633 . 5 1 1 A 51 51 ARG HA H 51 5.740 5.236 0.504 1
1 640 . 5 1 1 A 51 51 ARG C C 51 176.600 175.045 1.555 1
1 641 . 5 1 1 A 51 51 ARG CA C 51 54.900 55.494 -0.594 1
1 642 . 5 1 1 A 51 51 ARG CB C 51 32.700 31.730 0.970 1
1 645 . 5 1 1 A 51 51 ARG N N 51 120.700 119.673 1.027 1
1 646 . 5 1 1 A 52 52 HIS H H 52 9.130 9.123 0.007 1
1 647 . 5 1 1 A 52 52 HIS HA H 52 4.730 5.405 -0.675 1
1 651 . 5 1 1 A 52 52 HIS C C 52 173.900 172.836 1.064 1
1 652 . 5 1 1 A 52 52 HIS CA C 52 56.600 55.635 0.965 1
1 653 . 5 1 1 A 52 52 HIS CB C 52 33.700 33.933 -0.233 1
1 655 . 5 1 1 A 52 52 HIS N N 52 120.400 122.070 -1.670 1
1 656 . 5 1 1 A 53 53 LYS H H 53 8.770 7.934 0.836 1
1 657 . 5 1 1 A 53 53 LYS HA H 53 4.590 4.348 0.242 1
1 666 . 5 1 1 A 53 53 LYS C C 53 176.700 176.385 0.315 1
1 667 . 5 1 1 A 53 53 LYS CA C 53 58.000 56.535 1.465 1
1 668 . 5 1 1 A 53 53 LYS CB C 53 33.300 33.053 0.247 1
1 672 . 5 1 1 A 53 53 LYS N N 53 127.500 127.425 0.075 1
1 673 . 5 1 1 A 54 54 LEU H H 54 8.690 9.106 -0.416 1
1 674 . 5 1 1 A 54 54 LEU HA H 54 4.830 4.729 0.101 1
1 684 . 5 1 1 A 54 54 LEU C C 54 173.900 174.567 -0.667 1
1 685 . 5 1 1 A 54 54 LEU CA C 54 51.700 52.671 -0.971 1
1 686 . 5 1 1 A 54 54 LEU CB C 54 41.400 41.752 -0.352 1
1 690 . 5 1 1 A 54 54 LEU N N 54 125.400 126.391 -0.991 1
1 691 . 5 1 1 A 55 55 PRO HA H 55 4.420 4.618 -0.198 1
1 698 . 5 1 1 A 55 55 PRO C C 55 177.100 177.432 -0.332 1
1 699 . 5 1 1 A 55 55 PRO CA C 55 62.900 62.854 0.046 1
1 700 . 5 1 1 A 55 55 PRO CB C 55 32.500 32.367 0.133 1
1 703 . 5 1 1 A 56 56 ASP H H 56 8.740 8.719 0.021 1
1 704 . 5 1 1 A 56 56 ASP HA H 56 4.440 4.352 0.088 1
1 707 . 5 1 1 A 56 56 ASP C C 56 177.200 176.506 0.694 1
1 708 . 5 1 1 A 56 56 ASP CA C 56 57.500 56.664 0.836 1
1 709 . 5 1 1 A 56 56 ASP CB C 56 40.500 40.493 0.007 1
1 710 . 5 1 1 A 56 56 ASP N N 56 120.700 122.333 -1.633 1
1 711 . 5 1 1 A 57 57 ASP H H 57 8.350 7.906 0.444 1
1 712 . 5 1 1 A 57 57 ASP HA H 57 4.620 4.844 -0.224 1
1 715 . 5 1 1 A 57 57 ASP C C 57 176.300 175.589 0.711 1
1 716 . 5 1 1 A 57 57 ASP CA C 57 52.600 53.681 -1.081 1
1 717 . 5 1 1 A 57 57 ASP CB C 57 39.500 41.532 -2.032 1
1 718 . 5 1 1 A 57 57 ASP N N 57 116.400 117.491 -1.091 1
1 719 . 5 1 1 A 58 58 TYR H H 58 7.890 7.851 0.039 1
1 720 . 5 1 1 A 58 58 TYR HA H 58 4.350 4.675 -0.325 1
1 727 . 5 1 1 A 58 58 TYR C C 58 174.400 174.280 0.120 1
1 728 . 5 1 1 A 58 58 TYR CA C 58 58.400 57.201 1.199 1
1 729 . 5 1 1 A 58 58 TYR CB C 58 40.300 39.627 0.673 1
1 734 . 5 1 1 A 58 58 TYR N N 58 125.500 124.184 1.316 1
1 735 . 5 1 1 A 59 59 PRO HA H 59 4.360 4.500 -0.140 1
1 742 . 5 1 1 A 59 59 PRO C C 59 174.700 176.117 -1.417 1
1 743 . 5 1 1 A 59 59 PRO CA C 59 63.400 62.523 0.877 1
1 744 . 5 1 1 A 59 59 PRO CB C 59 31.100 31.553 -0.453 1
1 1 . 6 1 1 A 3 3 SER HA H 3 4.520 5.059 -0.539 1
1 4 . 6 1 1 A 3 3 SER C C 3 174.700 173.631 1.069 1
1 5 . 6 1 1 A 3 3 SER CA C 3 58.400 56.947 1.453 1
1 6 . 6 1 1 A 3 3 SER CB C 3 64.000 66.040 -2.040 1
1 7 . 6 1 1 A 4 4 GLY H H 4 8.350 8.326 0.024 1
1 8 . 6 1 1 A 4 4 GLY HA2 H 4 3.910 4.001 -0.091 1
1 9 . 6 1 1 A 4 4 GLY HA3 H 4 4.050 4.003 0.047 1
1 10 . 6 1 1 A 4 4 GLY C C 4 173.800 173.861 -0.061 1
1 11 . 6 1 1 A 4 4 GLY CA C 4 45.300 45.415 -0.115 1
1 12 . 6 1 1 A 4 4 GLY N N 4 110.300 109.710 0.590 1
1 13 . 6 1 1 A 5 5 LYS H H 5 8.110 7.939 0.171 1
1 14 . 6 1 1 A 5 5 LYS HA H 5 4.310 4.954 -0.644 1
1 23 . 6 1 1 A 5 5 LYS C C 5 175.700 174.753 0.947 1
1 24 . 6 1 1 A 5 5 LYS CA C 5 56.100 54.292 1.808 1
1 25 . 6 1 1 A 5 5 LYS CB C 5 33.200 36.278 -3.078 1
1 29 . 6 1 1 A 5 5 LYS N N 5 120.500 119.922 0.578 1
1 30 . 6 1 1 A 6 6 LYS H H 6 7.980 8.724 -0.744 1
1 31 . 6 1 1 A 6 6 LYS HA H 6 4.730 5.004 -0.274 1
1 40 . 6 1 1 A 6 6 LYS C C 6 174.800 175.189 -0.389 1
1 41 . 6 1 1 A 6 6 LYS CA C 6 54.000 53.233 0.767 1
1 42 . 6 1 1 A 6 6 LYS CB C 6 33.300 33.958 -0.658 1
1 46 . 6 1 1 A 6 6 LYS N N 6 121.900 122.613 -0.713 1
1 47 . 6 1 1 A 7 7 PRO HA H 7 4.610 4.793 -0.183 1
1 54 . 6 1 1 A 7 7 PRO C C 7 175.900 175.478 0.422 1
1 55 . 6 1 1 A 7 7 PRO CA C 7 62.500 62.442 0.058 1
1 56 . 6 1 1 A 7 7 PRO CB C 7 32.600 33.205 -0.605 1
1 59 . 6 1 1 A 8 8 VAL H H 8 9.040 8.586 0.454 1
1 60 . 6 1 1 A 8 8 VAL HA H 8 4.430 4.728 -0.298 1
1 68 . 6 1 1 A 8 8 VAL C C 8 173.900 173.939 -0.039 1
1 69 . 6 1 1 A 8 8 VAL CA C 8 60.200 59.728 0.472 1
1 70 . 6 1 1 A 8 8 VAL CB C 8 35.600 35.677 -0.077 1
1 73 . 6 1 1 A 8 8 VAL N N 8 119.900 120.112 -0.212 1
1 74 . 6 1 1 A 9 9 LYS H H 9 8.390 8.420 -0.030 1
1 75 . 6 1 1 A 9 9 LYS HA H 9 4.610 4.445 0.165 1
1 84 . 6 1 1 A 9 9 LYS C C 9 175.500 175.411 0.089 1
1 85 . 6 1 1 A 9 9 LYS CA C 9 56.800 56.280 0.520 1
1 86 . 6 1 1 A 9 9 LYS CB C 9 31.700 32.882 -1.182 1
1 90 . 6 1 1 A 9 9 LYS N N 9 125.800 126.351 -0.551 1
1 91 . 6 1 1 A 10 10 VAL H H 10 8.740 8.801 -0.061 1
1 92 . 6 1 1 A 10 10 VAL HA H 10 4.040 4.688 -0.648 1
1 100 . 6 1 1 A 10 10 VAL C C 10 173.600 174.281 -0.681 1
1 101 . 6 1 1 A 10 10 VAL CA C 10 58.600 59.243 -0.643 1
1 102 . 6 1 1 A 10 10 VAL CB C 10 35.200 35.081 0.119 1
1 105 . 6 1 1 A 10 10 VAL N N 10 120.700 123.219 -2.519 1
1 106 . 6 1 1 A 11 11 LYS H H 11 7.320 8.080 -0.760 1
1 107 . 6 1 1 A 11 11 LYS HA H 11 5.000 4.579 0.421 1
1 116 . 6 1 1 A 11 11 LYS C C 11 176.600 176.736 -0.136 1
1 117 . 6 1 1 A 11 11 LYS CA C 11 54.800 56.064 -1.264 1
1 118 . 6 1 1 A 11 11 LYS CB C 11 33.700 32.913 0.787 1
1 122 . 6 1 1 A 11 11 LYS N N 11 120.600 126.181 -5.581 1
1 123 . 6 1 1 A 12 12 THR H H 12 8.950 8.932 0.018 1
1 124 . 6 1 1 A 12 12 THR HA H 12 3.700 4.256 -0.556 1
1 129 . 6 1 1 A 12 12 THR C C 12 175.100 174.431 0.669 1
1 130 . 6 1 1 A 12 12 THR CA C 12 59.700 59.090 0.610 1
1 131 . 6 1 1 A 12 12 THR CB C 12 67.700 69.240 -1.540 1
1 133 . 6 1 1 A 12 12 THR N N 12 115.400 117.424 -2.024 1
1 134 . 6 1 1 A 13 13 PRO HA H 13 4.180 4.095 0.085 1
1 141 . 6 1 1 A 13 13 PRO C C 13 177.000 177.162 -0.162 1
1 142 . 6 1 1 A 13 13 PRO CA C 13 65.000 64.915 0.085 1
1 143 . 6 1 1 A 13 13 PRO CB C 13 31.400 31.497 -0.097 1
1 146 . 6 1 1 A 14 14 ALA H H 14 7.240 7.393 -0.153 1
1 147 . 6 1 1 A 14 14 ALA HA H 14 4.310 4.154 0.156 1
1 151 . 6 1 1 A 14 14 ALA C C 14 177.900 177.964 -0.064 1
1 152 . 6 1 1 A 14 14 ALA CA C 14 52.200 52.322 -0.122 1
1 153 . 6 1 1 A 14 14 ALA CB C 14 19.000 19.393 -0.393 1
1 154 . 6 1 1 A 14 14 ALA N N 14 116.100 117.485 -1.385 1
1 155 . 6 1 1 A 15 15 GLY H H 15 8.310 8.769 -0.459 1
1 156 . 6 1 1 A 15 15 GLY HA2 H 15 3.520 3.874 -0.354 1
1 157 . 6 1 1 A 15 15 GLY HA3 H 15 4.220 3.892 0.328 1
1 158 . 6 1 1 A 15 15 GLY C C 15 174.000 173.541 0.459 1
1 159 . 6 1 1 A 15 15 GLY CA C 15 45.300 46.379 -1.079 1
1 160 . 6 1 1 A 15 15 GLY N N 15 107.000 107.619 -0.619 1
1 161 . 6 1 1 A 16 16 LYS H H 16 6.960 7.412 -0.452 1
1 162 . 6 1 1 A 16 16 LYS HA H 16 4.490 4.858 -0.368 1
1 171 . 6 1 1 A 16 16 LYS C C 16 175.400 174.426 0.974 1
1 172 . 6 1 1 A 16 16 LYS CA C 16 54.800 54.317 0.483 1
1 173 . 6 1 1 A 16 16 LYS CB C 16 33.900 35.723 -1.823 1
1 177 . 6 1 1 A 16 16 LYS N N 16 119.200 114.753 4.447 1
1 178 . 6 1 1 A 17 17 GLU H H 17 8.520 8.496 0.024 1
1 179 . 6 1 1 A 17 17 GLU HA H 17 4.990 5.165 -0.175 1
1 184 . 6 1 1 A 17 17 GLU C C 17 175.800 175.650 0.150 1
1 185 . 6 1 1 A 17 17 GLU CA C 17 55.900 55.052 0.848 1
1 186 . 6 1 1 A 17 17 GLU CB C 17 30.900 30.841 0.059 1
1 188 . 6 1 1 A 17 17 GLU N N 17 122.200 119.704 2.496 1
1 189 . 6 1 1 A 18 18 ALA H H 18 8.870 8.819 0.051 1
1 190 . 6 1 1 A 18 18 ALA HA H 18 4.620 5.145 -0.525 1
1 194 . 6 1 1 A 18 18 ALA C C 18 174.600 175.894 -1.294 1
1 195 . 6 1 1 A 18 18 ALA CA C 18 51.000 49.945 1.055 1
1 196 . 6 1 1 A 18 18 ALA CB C 18 22.300 23.110 -0.810 1
1 197 . 6 1 1 A 18 18 ALA N N 18 127.200 127.428 -0.228 1
1 198 . 6 1 1 A 19 19 GLU H H 19 8.450 8.618 -0.168 1
1 199 . 6 1 1 A 19 19 GLU HA H 19 4.830 5.009 -0.179 1
1 204 . 6 1 1 A 19 19 GLU C C 19 175.200 175.204 -0.004 1
1 205 . 6 1 1 A 19 19 GLU CA C 19 55.400 56.150 -0.750 1
1 206 . 6 1 1 A 19 19 GLU CB C 19 30.100 30.213 -0.113 1
1 208 . 6 1 1 A 19 19 GLU N N 19 121.700 120.875 0.825 1
1 209 . 6 1 1 A 20 20 LEU H H 20 8.470 8.817 -0.347 1
1 210 . 6 1 1 A 20 20 LEU HA H 20 5.030 5.065 -0.035 1
1 220 . 6 1 1 A 20 20 LEU C C 20 175.600 175.614 -0.014 1
1 221 . 6 1 1 A 20 20 LEU CA C 20 53.000 53.589 -0.589 1
1 222 . 6 1 1 A 20 20 LEU CB C 20 47.600 45.079 2.521 1
1 226 . 6 1 1 A 20 20 LEU N N 20 124.600 126.180 -1.580 1
1 227 . 6 1 1 A 21 21 VAL H H 21 8.880 8.877 0.003 1
1 228 . 6 1 1 A 21 21 VAL HA H 21 4.540 4.675 -0.135 1
1 236 . 6 1 1 A 21 21 VAL C C 21 175.000 174.280 0.720 1
1 237 . 6 1 1 A 21 21 VAL CA C 21 59.400 59.986 -0.586 1
1 238 . 6 1 1 A 21 21 VAL CB C 21 33.300 33.489 -0.189 1
1 241 . 6 1 1 A 21 21 VAL N N 21 123.200 125.565 -2.365 1
1 242 . 6 1 1 A 22 22 PRO HA H 22 3.520 4.305 -0.785 1
1 249 . 6 1 1 A 22 22 PRO C C 22 176.300 177.516 -1.216 1
1 250 . 6 1 1 A 22 22 PRO CA C 22 62.600 62.549 0.051 1
1 251 . 6 1 1 A 22 22 PRO CB C 22 30.800 31.814 -1.014 1
1 254 . 6 1 1 A 23 23 GLU H H 23 8.830 8.910 -0.080 1
1 255 . 6 1 1 A 23 23 GLU HA H 23 4.070 4.163 -0.093 1
1 260 . 6 1 1 A 23 23 GLU C C 23 176.700 176.284 0.416 1
1 261 . 6 1 1 A 23 23 GLU CA C 23 57.700 59.407 -1.707 1
1 262 . 6 1 1 A 23 23 GLU CB C 23 30.900 30.565 0.335 1
1 264 . 6 1 1 A 23 23 GLU N N 23 121.200 122.257 -1.057 1
1 265 . 6 1 1 A 24 24 LYS H H 24 7.120 7.728 -0.608 1
1 266 . 6 1 1 A 24 24 LYS HA H 24 4.480 5.096 -0.616 1
1 275 . 6 1 1 A 24 24 LYS C C 24 173.900 175.143 -1.243 1
1 276 . 6 1 1 A 24 24 LYS CA C 24 55.000 54.707 0.293 1
1 277 . 6 1 1 A 24 24 LYS CB C 24 36.800 35.646 1.154 1
1 281 . 6 1 1 A 24 24 LYS N N 24 114.600 114.895 -0.295 1
1 282 . 6 1 1 A 25 25 VAL H H 25 8.240 8.840 -0.600 1
1 283 . 6 1 1 A 25 25 VAL HA H 25 5.030 5.029 0.001 1
1 291 . 6 1 1 A 25 25 VAL C C 25 174.500 174.946 -0.446 1
1 292 . 6 1 1 A 25 25 VAL CA C 25 60.200 59.937 0.263 1
1 293 . 6 1 1 A 25 25 VAL CB C 25 35.400 34.696 0.704 1
1 296 . 6 1 1 A 25 25 VAL N N 25 117.400 116.962 0.438 1
1 297 . 6 1 1 A 26 26 TRP H H 26 9.130 8.850 0.280 1
1 298 . 6 1 1 A 26 26 TRP HA H 26 4.880 5.415 -0.535 1
1 307 . 6 1 1 A 26 26 TRP C C 26 172.600 172.821 -0.221 1
1 308 . 6 1 1 A 26 26 TRP CA C 26 57.800 55.655 2.145 1
1 309 . 6 1 1 A 26 26 TRP CB C 26 31.500 32.426 -0.926 1
1 315 . 6 1 1 A 26 26 TRP N N 26 122.500 121.097 1.403 1
1 317 . 6 1 1 A 27 27 ALA H H 27 8.640 9.045 -0.405 1
1 318 . 6 1 1 A 27 27 ALA HA H 27 5.170 5.535 -0.365 1
1 322 . 6 1 1 A 27 27 ALA C C 27 177.000 175.726 1.274 1
1 323 . 6 1 1 A 27 27 ALA CA C 27 50.500 50.228 0.272 1
1 324 . 6 1 1 A 27 27 ALA CB C 27 21.000 21.601 -0.601 1
1 325 . 6 1 1 A 27 27 ALA N N 27 122.200 123.181 -0.981 1
1 326 . 6 1 1 A 28 28 LEU H H 28 8.860 9.567 -0.707 1
1 327 . 6 1 1 A 28 28 LEU HA H 28 4.590 4.951 -0.361 1
1 337 . 6 1 1 A 28 28 LEU C C 28 176.100 175.401 0.699 1
1 338 . 6 1 1 A 28 28 LEU CA C 28 54.500 53.872 0.628 1
1 339 . 6 1 1 A 28 28 LEU CB C 28 43.100 41.999 1.101 1
1 343 . 6 1 1 A 28 28 LEU N N 28 123.300 124.219 -0.919 1
1 344 . 6 1 1 A 29 29 ALA H H 29 8.540 8.856 -0.316 1
1 345 . 6 1 1 A 29 29 ALA HA H 29 4.820 5.068 -0.248 1
1 349 . 6 1 1 A 29 29 ALA C C 29 174.300 175.051 -0.751 1
1 350 . 6 1 1 A 29 29 ALA CA C 29 50.000 49.470 0.530 1
1 351 . 6 1 1 A 29 29 ALA CB C 29 19.000 20.134 -1.134 1
1 352 . 6 1 1 A 29 29 ALA N N 29 125.900 127.241 -1.341 1
1 353 . 6 1 1 A 30 30 PRO HA H 30 4.440 4.639 -0.199 1
1 360 . 6 1 1 A 30 30 PRO C C 30 176.800 176.109 0.691 1
1 361 . 6 1 1 A 30 30 PRO CA C 30 62.600 62.432 0.168 1
1 362 . 6 1 1 A 30 30 PRO CB C 30 31.900 32.223 -0.323 1
1 365 . 6 1 1 A 31 31 LYS H H 31 8.370 8.473 -0.103 1
1 366 . 6 1 1 A 31 31 LYS HA H 31 4.170 4.066 0.104 1
1 375 . 6 1 1 A 31 31 LYS C C 31 177.700 177.305 0.395 1
1 376 . 6 1 1 A 31 31 LYS CA C 31 57.300 57.313 -0.013 1
1 377 . 6 1 1 A 31 31 LYS CB C 31 32.000 31.343 0.657 1
1 381 . 6 1 1 A 31 31 LYS N N 31 121.500 122.450 -0.950 1
1 382 . 6 1 1 A 32 32 GLY H H 32 8.720 8.649 0.071 1
1 383 . 6 1 1 A 32 32 GLY HA2 H 32 3.780 4.031 -0.251 1
1 384 . 6 1 1 A 32 32 GLY HA3 H 32 4.120 4.031 0.089 1
1 385 . 6 1 1 A 32 32 GLY C C 32 173.900 174.000 -0.100 1
1 386 . 6 1 1 A 32 32 GLY CA C 32 45.700 45.128 0.572 1
1 387 . 6 1 1 A 32 32 GLY N N 32 112.200 113.215 -1.015 1
1 388 . 6 1 1 A 33 33 ARG H H 33 7.790 7.950 -0.160 1
1 389 . 6 1 1 A 33 33 ARG HA H 33 4.590 4.948 -0.358 1
1 396 . 6 1 1 A 33 33 ARG C C 33 175.200 175.125 0.075 1
1 397 . 6 1 1 A 33 33 ARG CA C 33 54.700 54.031 0.669 1
1 398 . 6 1 1 A 33 33 ARG CB C 33 32.300 33.783 -1.483 1
1 401 . 6 1 1 A 33 33 ARG N N 33 118.800 119.802 -1.002 1
1 402 . 6 1 1 A 34 34 LYS H H 34 8.190 8.429 -0.239 1
1 403 . 6 1 1 A 34 34 LYS HA H 34 4.280 4.746 -0.466 1
1 412 . 6 1 1 A 34 34 LYS C C 34 176.700 176.944 -0.244 1
1 413 . 6 1 1 A 34 34 LYS CA C 34 56.800 54.211 2.589 1
1 414 . 6 1 1 A 34 34 LYS CB C 34 32.900 34.428 -1.528 1
1 418 . 6 1 1 A 34 34 LYS N N 34 120.600 119.993 0.607 1
1 419 . 6 1 1 A 35 35 GLY H H 35 8.490 8.551 -0.061 1
1 420 . 6 1 1 A 35 35 GLY HA2 H 35 3.900 4.055 -0.155 1
1 421 . 6 1 1 A 35 35 GLY HA3 H 35 4.260 4.057 0.203 1
1 422 . 6 1 1 A 35 35 GLY C C 35 173.200 172.841 0.359 1
1 423 . 6 1 1 A 35 35 GLY CA C 35 45.500 45.353 0.147 1
1 424 . 6 1 1 A 35 35 GLY N N 35 110.400 108.873 1.527 1
1 425 . 6 1 1 A 36 36 VAL H H 36 8.130 10.093 -1.963 1
1 426 . 6 1 1 A 36 36 VAL HA H 36 4.380 4.540 -0.160 1
1 434 . 6 1 1 A 36 36 VAL C C 36 174.100 175.014 -0.914 1
1 435 . 6 1 1 A 36 36 VAL CA C 36 61.500 61.134 0.366 1
1 436 . 6 1 1 A 36 36 VAL CB C 36 34.700 32.612 2.088 1
1 438 . 6 1 1 A 36 36 VAL N N 36 119.000 126.140 -7.140 1
1 439 . 6 1 1 A 37 37 LYS H H 37 9.020 8.839 0.181 1
1 440 . 6 1 1 A 37 37 LYS HA H 37 5.070 4.719 0.351 1
1 449 . 6 1 1 A 37 37 LYS C C 37 174.700 175.661 -0.961 1
1 450 . 6 1 1 A 37 37 LYS CA C 37 55.400 56.077 -0.677 1
1 451 . 6 1 1 A 37 37 LYS CB C 37 35.700 33.035 2.665 1
1 455 . 6 1 1 A 37 37 LYS N N 37 125.600 127.031 -1.431 1
1 456 . 6 1 1 A 38 38 ILE H H 38 8.860 8.845 0.015 1
1 457 . 6 1 1 A 38 38 ILE HA H 38 4.390 4.685 -0.295 1
1 467 . 6 1 1 A 38 38 ILE C C 38 173.100 174.192 -1.092 1
1 468 . 6 1 1 A 38 38 ILE CA C 38 59.000 59.245 -0.245 1
1 469 . 6 1 1 A 38 38 ILE CB C 38 40.900 41.524 -0.624 1
1 473 . 6 1 1 A 38 38 ILE N N 38 123.300 124.530 -1.230 1
1 474 . 6 1 1 A 39 39 GLY H H 39 8.600 8.798 -0.198 1
1 475 . 6 1 1 A 39 39 GLY HA2 H 39 2.920 3.857 -0.937 1
1 476 . 6 1 1 A 39 39 GLY HA3 H 39 5.060 3.861 1.199 1
1 477 . 6 1 1 A 39 39 GLY C C 39 170.400 171.283 -0.883 1
1 478 . 6 1 1 A 39 39 GLY CA C 39 43.800 43.550 0.250 1
1 479 . 6 1 1 A 39 39 GLY N N 39 109.500 113.860 -4.360 1
1 480 . 6 1 1 A 40 40 LEU H H 40 8.090 8.769 -0.679 1
1 481 . 6 1 1 A 40 40 LEU HA H 40 4.870 4.923 -0.053 1
1 491 . 6 1 1 A 40 40 LEU C C 40 174.100 174.603 -0.503 1
1 492 . 6 1 1 A 40 40 LEU CA C 40 53.400 53.418 -0.018 1
1 493 . 6 1 1 A 40 40 LEU CB C 40 45.500 44.203 1.297 1
1 497 . 6 1 1 A 40 40 LEU N N 40 122.200 124.224 -2.024 1
1 498 . 6 1 1 A 41 41 PHE H H 41 9.180 9.630 -0.450 1
1 499 . 6 1 1 A 41 41 PHE HA H 41 4.620 5.115 -0.495 1
1 507 . 6 1 1 A 41 41 PHE C C 41 173.000 174.197 -1.197 1
1 508 . 6 1 1 A 41 41 PHE CA C 41 56.000 56.072 -0.072 1
1 509 . 6 1 1 A 41 41 PHE CB C 41 43.400 43.229 0.171 1
1 515 . 6 1 1 A 41 41 PHE N N 41 124.600 125.381 -0.781 1
1 516 . 6 1 1 A 42 42 LYS H H 42 8.460 8.997 -0.537 1
1 517 . 6 1 1 A 42 42 LYS HA H 42 4.320 5.215 -0.895 1
1 526 . 6 1 1 A 42 42 LYS C C 42 175.800 175.581 0.219 1
1 527 . 6 1 1 A 42 42 LYS CA C 42 54.700 54.355 0.345 1
1 528 . 6 1 1 A 42 42 LYS CB C 42 34.500 34.855 -0.355 1
1 532 . 6 1 1 A 42 42 LYS N N 42 120.800 121.476 -0.676 1
1 533 . 6 1 1 A 43 43 ASP H H 43 8.970 9.117 -0.147 1
1 534 . 6 1 1 A 43 43 ASP HA H 43 4.720 4.885 -0.165 1
1 537 . 6 1 1 A 43 43 ASP C C 43 175.800 176.380 -0.580 1
1 538 . 6 1 1 A 43 43 ASP CA C 43 52.100 52.284 -0.184 1
1 539 . 6 1 1 A 43 43 ASP CB C 43 42.700 41.999 0.701 1
1 540 . 6 1 1 A 43 43 ASP N N 43 127.600 127.077 0.523 1
1 541 . 6 1 1 A 44 44 PRO HA H 44 4.320 4.480 -0.160 1
1 548 . 6 1 1 A 44 44 PRO C C 44 177.900 177.914 -0.014 1
1 549 . 6 1 1 A 44 44 PRO CA C 44 64.300 64.474 -0.174 1
1 550 . 6 1 1 A 44 44 PRO CB C 44 32.300 31.934 0.366 1
1 553 . 6 1 1 A 45 45 GLU H H 45 8.320 8.337 -0.017 1
1 554 . 6 1 1 A 45 45 GLU HA H 45 4.230 4.229 0.001 1
1 559 . 6 1 1 A 45 45 GLU C C 45 177.800 178.251 -0.451 1
1 560 . 6 1 1 A 45 45 GLU CA C 45 58.600 59.081 -0.481 1
1 561 . 6 1 1 A 45 45 GLU CB C 45 30.700 30.393 0.307 1
1 563 . 6 1 1 A 45 45 GLU N N 45 116.000 117.852 -1.852 1
1 564 . 6 1 1 A 46 46 THR H H 46 7.320 8.739 -1.419 1
1 565 . 6 1 1 A 46 46 THR HA H 46 4.460 4.409 0.051 1
1 570 . 6 1 1 A 46 46 THR C C 46 176.300 176.217 0.083 1
1 571 . 6 1 1 A 46 46 THR CA C 46 61.700 62.666 -0.966 1
1 572 . 6 1 1 A 46 46 THR CB C 46 71.500 70.388 1.112 1
1 574 . 6 1 1 A 46 46 THR N N 46 105.100 109.671 -4.571 1
1 575 . 6 1 1 A 47 47 GLY H H 47 8.550 7.992 0.558 1
1 576 . 6 1 1 A 47 47 GLY HA2 H 47 3.570 3.879 -0.309 1
1 577 . 6 1 1 A 47 47 GLY HA3 H 47 4.160 3.892 0.268 1
1 578 . 6 1 1 A 47 47 GLY C C 47 173.200 174.312 -1.112 1
1 579 . 6 1 1 A 47 47 GLY CA C 47 45.700 45.566 0.134 1
1 580 . 6 1 1 A 47 47 GLY N N 47 111.500 111.614 -0.114 1
1 581 . 6 1 1 A 48 48 LYS H H 48 7.700 7.347 0.353 1
1 582 . 6 1 1 A 48 48 LYS HA H 48 4.410 4.584 -0.174 1
1 591 . 6 1 1 A 48 48 LYS C C 48 176.600 175.346 1.254 1
1 592 . 6 1 1 A 48 48 LYS CA C 48 55.800 55.293 0.507 1
1 593 . 6 1 1 A 48 48 LYS CB C 48 33.900 34.106 -0.206 1
1 597 . 6 1 1 A 48 48 LYS N N 48 118.800 117.382 1.418 1
1 598 . 6 1 1 A 49 49 TYR H H 49 8.740 9.095 -0.355 1
1 599 . 6 1 1 A 49 49 TYR HA H 49 5.670 5.758 -0.088 1
1 606 . 6 1 1 A 49 49 TYR C C 49 177.400 175.751 1.649 1
1 607 . 6 1 1 A 49 49 TYR CA C 49 58.200 56.760 1.440 1
1 608 . 6 1 1 A 49 49 TYR CB C 49 40.300 39.845 0.455 1
1 613 . 6 1 1 A 49 49 TYR N N 49 121.100 120.861 0.239 1
1 614 . 6 1 1 A 50 50 PHE H H 50 9.630 9.536 0.094 1
1 615 . 6 1 1 A 50 50 PHE HA H 50 5.150 5.727 -0.577 1
1 623 . 6 1 1 A 50 50 PHE C C 50 172.500 173.362 -0.862 1
1 624 . 6 1 1 A 50 50 PHE CA C 50 56.200 55.308 0.892 1
1 625 . 6 1 1 A 50 50 PHE CB C 50 41.400 42.763 -1.363 1
1 631 . 6 1 1 A 50 50 PHE N N 50 118.400 119.721 -1.321 1
1 632 . 6 1 1 A 51 51 ARG H H 51 8.940 8.989 -0.049 1
1 633 . 6 1 1 A 51 51 ARG HA H 51 5.740 5.285 0.455 1
1 640 . 6 1 1 A 51 51 ARG C C 51 176.600 174.968 1.632 1
1 641 . 6 1 1 A 51 51 ARG CA C 51 54.900 55.205 -0.305 1
1 642 . 6 1 1 A 51 51 ARG CB C 51 32.700 31.909 0.791 1
1 645 . 6 1 1 A 51 51 ARG N N 51 120.700 120.416 0.284 1
1 646 . 6 1 1 A 52 52 HIS H H 52 9.130 9.252 -0.122 1
1 647 . 6 1 1 A 52 52 HIS HA H 52 4.730 5.444 -0.714 1
1 651 . 6 1 1 A 52 52 HIS C C 52 173.900 172.948 0.952 1
1 652 . 6 1 1 A 52 52 HIS CA C 52 56.600 55.145 1.455 1
1 653 . 6 1 1 A 52 52 HIS CB C 52 33.700 34.203 -0.503 1
1 655 . 6 1 1 A 52 52 HIS N N 52 120.400 123.305 -2.905 1
1 656 . 6 1 1 A 53 53 LYS H H 53 8.770 8.024 0.746 1
1 657 . 6 1 1 A 53 53 LYS HA H 53 4.590 4.304 0.286 1
1 666 . 6 1 1 A 53 53 LYS C C 53 176.700 176.488 0.212 1
1 667 . 6 1 1 A 53 53 LYS CA C 53 58.000 56.746 1.254 1
1 668 . 6 1 1 A 53 53 LYS CB C 53 33.300 33.155 0.145 1
1 672 . 6 1 1 A 53 53 LYS N N 53 127.500 127.334 0.166 1
1 673 . 6 1 1 A 54 54 LEU H H 54 8.690 8.940 -0.250 1
1 674 . 6 1 1 A 54 54 LEU HA H 54 4.830 4.740 0.090 1
1 684 . 6 1 1 A 54 54 LEU C C 54 173.900 174.477 -0.577 1
1 685 . 6 1 1 A 54 54 LEU CA C 54 51.700 52.492 -0.792 1
1 686 . 6 1 1 A 54 54 LEU CB C 54 41.400 41.860 -0.460 1
1 690 . 6 1 1 A 54 54 LEU N N 54 125.400 126.158 -0.758 1
1 691 . 6 1 1 A 55 55 PRO HA H 55 4.420 4.590 -0.170 1
1 698 . 6 1 1 A 55 55 PRO C C 55 177.100 177.430 -0.330 1
1 699 . 6 1 1 A 55 55 PRO CA C 55 62.900 62.883 0.017 1
1 700 . 6 1 1 A 55 55 PRO CB C 55 32.500 32.464 0.036 1
1 703 . 6 1 1 A 56 56 ASP H H 56 8.740 8.699 0.041 1
1 704 . 6 1 1 A 56 56 ASP HA H 56 4.440 4.318 0.122 1
1 707 . 6 1 1 A 56 56 ASP C C 56 177.200 176.878 0.322 1
1 708 . 6 1 1 A 56 56 ASP CA C 56 57.500 57.111 0.389 1
1 709 . 6 1 1 A 56 56 ASP CB C 56 40.500 40.626 -0.126 1
1 710 . 6 1 1 A 56 56 ASP N N 56 120.700 122.325 -1.625 1
1 711 . 6 1 1 A 57 57 ASP H H 57 8.350 7.847 0.503 1
1 712 . 6 1 1 A 57 57 ASP HA H 57 4.620 4.818 -0.198 1
1 715 . 6 1 1 A 57 57 ASP C C 57 176.300 175.640 0.660 1
1 716 . 6 1 1 A 57 57 ASP CA C 57 52.600 53.760 -1.160 1
1 717 . 6 1 1 A 57 57 ASP CB C 57 39.500 41.496 -1.996 1
1 718 . 6 1 1 A 57 57 ASP N N 57 116.400 116.704 -0.304 1
1 719 . 6 1 1 A 58 58 TYR H H 58 7.890 7.973 -0.083 1
1 720 . 6 1 1 A 58 58 TYR HA H 58 4.350 4.762 -0.412 1
1 727 . 6 1 1 A 58 58 TYR C C 58 174.400 174.288 0.112 1
1 728 . 6 1 1 A 58 58 TYR CA C 58 58.400 57.067 1.333 1
1 729 . 6 1 1 A 58 58 TYR CB C 58 40.300 39.904 0.396 1
1 734 . 6 1 1 A 58 58 TYR N N 58 125.500 123.848 1.652 1
1 735 . 6 1 1 A 59 59 PRO HA H 59 4.360 4.409 -0.049 1
1 742 . 6 1 1 A 59 59 PRO C C 59 174.700 176.390 -1.690 1
1 743 . 6 1 1 A 59 59 PRO CA C 59 63.400 62.379 1.021 1
1 744 . 6 1 1 A 59 59 PRO CB C 59 31.100 32.074 -0.974 1
1 1 . 7 1 1 A 3 3 SER HA H 3 4.520 4.876 -0.356 1
1 4 . 7 1 1 A 3 3 SER C C 3 174.700 175.293 -0.593 1
1 5 . 7 1 1 A 3 3 SER CA C 3 58.400 57.368 1.032 1
1 6 . 7 1 1 A 3 3 SER CB C 3 64.000 65.442 -1.442 1
1 7 . 7 1 1 A 4 4 GLY H H 4 8.350 8.651 -0.301 1
1 8 . 7 1 1 A 4 4 GLY HA2 H 4 3.910 3.997 -0.087 1
1 9 . 7 1 1 A 4 4 GLY HA3 H 4 4.050 4.001 0.049 1
1 10 . 7 1 1 A 4 4 GLY C C 4 173.800 173.987 -0.187 1
1 11 . 7 1 1 A 4 4 GLY CA C 4 45.300 45.362 -0.062 1
1 12 . 7 1 1 A 4 4 GLY N N 4 110.300 113.051 -2.751 1
1 13 . 7 1 1 A 5 5 LYS H H 5 8.110 8.340 -0.230 1
1 14 . 7 1 1 A 5 5 LYS HA H 5 4.310 4.150 0.160 1
1 23 . 7 1 1 A 5 5 LYS C C 5 175.700 174.707 0.993 1
1 24 . 7 1 1 A 5 5 LYS CA C 5 56.100 58.296 -2.196 1
1 25 . 7 1 1 A 5 5 LYS CB C 5 33.200 31.011 2.189 1
1 29 . 7 1 1 A 5 5 LYS N N 5 120.500 119.707 0.793 1
1 30 . 7 1 1 A 6 6 LYS H H 6 7.980 8.556 -0.576 1
1 31 . 7 1 1 A 6 6 LYS HA H 6 4.730 4.864 -0.134 1
1 40 . 7 1 1 A 6 6 LYS C C 6 174.800 174.934 -0.134 1
1 41 . 7 1 1 A 6 6 LYS CA C 6 54.000 52.358 1.642 1
1 42 . 7 1 1 A 6 6 LYS CB C 6 33.300 33.260 0.040 1
1 46 . 7 1 1 A 6 6 LYS N N 6 121.900 121.434 0.466 1
1 47 . 7 1 1 A 7 7 PRO HA H 7 4.610 5.069 -0.459 1
1 54 . 7 1 1 A 7 7 PRO C C 7 175.900 175.369 0.531 1
1 55 . 7 1 1 A 7 7 PRO CA C 7 62.500 62.459 0.041 1
1 56 . 7 1 1 A 7 7 PRO CB C 7 32.600 32.595 0.005 1
1 59 . 7 1 1 A 8 8 VAL H H 8 9.040 9.006 0.034 1
1 60 . 7 1 1 A 8 8 VAL HA H 8 4.430 4.886 -0.456 1
1 68 . 7 1 1 A 8 8 VAL C C 8 173.900 174.324 -0.424 1
1 69 . 7 1 1 A 8 8 VAL CA C 8 60.200 59.609 0.591 1
1 70 . 7 1 1 A 8 8 VAL CB C 8 35.600 35.897 -0.297 1
1 73 . 7 1 1 A 8 8 VAL N N 8 119.900 121.618 -1.718 1
1 74 . 7 1 1 A 9 9 LYS H H 9 8.390 8.305 0.085 1
1 75 . 7 1 1 A 9 9 LYS HA H 9 4.610 4.605 0.005 1
1 84 . 7 1 1 A 9 9 LYS C C 9 175.500 175.466 0.034 1
1 85 . 7 1 1 A 9 9 LYS CA C 9 56.800 56.279 0.521 1
1 86 . 7 1 1 A 9 9 LYS CB C 9 31.700 32.749 -1.049 1
1 90 . 7 1 1 A 9 9 LYS N N 9 125.800 125.843 -0.043 1
1 91 . 7 1 1 A 10 10 VAL H H 10 8.740 9.028 -0.288 1
1 92 . 7 1 1 A 10 10 VAL HA H 10 4.040 4.699 -0.659 1
1 100 . 7 1 1 A 10 10 VAL C C 10 173.600 173.395 0.205 1
1 101 . 7 1 1 A 10 10 VAL CA C 10 58.600 59.447 -0.847 1
1 102 . 7 1 1 A 10 10 VAL CB C 10 35.200 35.146 0.054 1
1 105 . 7 1 1 A 10 10 VAL N N 10 120.700 122.672 -1.972 1
1 106 . 7 1 1 A 11 11 LYS H H 11 7.320 8.198 -0.878 1
1 107 . 7 1 1 A 11 11 LYS HA H 11 5.000 4.720 0.280 1
1 116 . 7 1 1 A 11 11 LYS C C 11 176.600 176.574 0.026 1
1 117 . 7 1 1 A 11 11 LYS CA C 11 54.800 55.341 -0.541 1
1 118 . 7 1 1 A 11 11 LYS CB C 11 33.700 33.056 0.644 1
1 122 . 7 1 1 A 11 11 LYS N N 11 120.600 126.939 -6.339 1
1 123 . 7 1 1 A 12 12 THR H H 12 8.950 8.975 -0.025 1
1 124 . 7 1 1 A 12 12 THR HA H 12 3.700 3.869 -0.169 1
1 129 . 7 1 1 A 12 12 THR C C 12 175.100 175.001 0.099 1
1 130 . 7 1 1 A 12 12 THR CA C 12 59.700 60.021 -0.321 1
1 131 . 7 1 1 A 12 12 THR CB C 12 67.700 68.509 -0.809 1
1 133 . 7 1 1 A 12 12 THR N N 12 115.400 118.344 -2.944 1
1 134 . 7 1 1 A 13 13 PRO HA H 13 4.180 4.318 -0.138 1
1 141 . 7 1 1 A 13 13 PRO C C 13 177.000 177.477 -0.477 1
1 142 . 7 1 1 A 13 13 PRO CA C 13 65.000 64.487 0.513 1
1 143 . 7 1 1 A 13 13 PRO CB C 13 31.400 31.531 -0.131 1
1 146 . 7 1 1 A 14 14 ALA H H 14 7.240 7.513 -0.273 1
1 147 . 7 1 1 A 14 14 ALA HA H 14 4.310 4.224 0.086 1
1 151 . 7 1 1 A 14 14 ALA C C 14 177.900 177.361 0.539 1
1 152 . 7 1 1 A 14 14 ALA CA C 14 52.200 52.455 -0.255 1
1 153 . 7 1 1 A 14 14 ALA CB C 14 19.000 19.378 -0.378 1
1 154 . 7 1 1 A 14 14 ALA N N 14 116.100 118.082 -1.982 1
1 155 . 7 1 1 A 15 15 GLY H H 15 8.310 7.881 0.429 1
1 156 . 7 1 1 A 15 15 GLY HA2 H 15 3.520 3.933 -0.413 1
1 157 . 7 1 1 A 15 15 GLY HA3 H 15 4.220 3.950 0.270 1
1 158 . 7 1 1 A 15 15 GLY C C 15 174.000 174.297 -0.297 1
1 159 . 7 1 1 A 15 15 GLY CA C 15 45.300 44.983 0.317 1
1 160 . 7 1 1 A 15 15 GLY N N 15 107.000 106.521 0.479 1
1 161 . 7 1 1 A 16 16 LYS H H 16 6.960 7.278 -0.318 1
1 162 . 7 1 1 A 16 16 LYS HA H 16 4.490 4.337 0.153 1
1 171 . 7 1 1 A 16 16 LYS C C 16 175.400 175.268 0.132 1
1 172 . 7 1 1 A 16 16 LYS CA C 16 54.800 55.947 -1.147 1
1 173 . 7 1 1 A 16 16 LYS CB C 16 33.900 33.307 0.593 1
1 177 . 7 1 1 A 16 16 LYS N N 16 119.200 119.030 0.170 1
1 178 . 7 1 1 A 17 17 GLU H H 17 8.520 8.643 -0.123 1
1 179 . 7 1 1 A 17 17 GLU HA H 17 4.990 4.823 0.167 1
1 184 . 7 1 1 A 17 17 GLU C C 17 175.800 175.741 0.059 1
1 185 . 7 1 1 A 17 17 GLU CA C 17 55.900 56.045 -0.145 1
1 186 . 7 1 1 A 17 17 GLU CB C 17 30.900 31.121 -0.221 1
1 188 . 7 1 1 A 17 17 GLU N N 17 122.200 122.766 -0.566 1
1 189 . 7 1 1 A 18 18 ALA H H 18 8.870 9.135 -0.265 1
1 190 . 7 1 1 A 18 18 ALA HA H 18 4.620 5.120 -0.500 1
1 194 . 7 1 1 A 18 18 ALA C C 18 174.600 176.296 -1.696 1
1 195 . 7 1 1 A 18 18 ALA CA C 18 51.000 50.362 0.638 1
1 196 . 7 1 1 A 18 18 ALA CB C 18 22.300 23.930 -1.630 1
1 197 . 7 1 1 A 18 18 ALA N N 18 127.200 128.866 -1.666 1
1 198 . 7 1 1 A 19 19 GLU H H 19 8.450 8.515 -0.065 1
1 199 . 7 1 1 A 19 19 GLU HA H 19 4.830 4.967 -0.137 1
1 204 . 7 1 1 A 19 19 GLU C C 19 175.200 175.348 -0.148 1
1 205 . 7 1 1 A 19 19 GLU CA C 19 55.400 55.836 -0.436 1
1 206 . 7 1 1 A 19 19 GLU CB C 19 30.100 30.348 -0.248 1
1 208 . 7 1 1 A 19 19 GLU N N 19 121.700 119.028 2.672 1
1 209 . 7 1 1 A 20 20 LEU H H 20 8.470 8.874 -0.404 1
1 210 . 7 1 1 A 20 20 LEU HA H 20 5.030 5.128 -0.098 1
1 220 . 7 1 1 A 20 20 LEU C C 20 175.600 175.033 0.567 1
1 221 . 7 1 1 A 20 20 LEU CA C 20 53.000 53.419 -0.419 1
1 222 . 7 1 1 A 20 20 LEU CB C 20 47.600 45.501 2.099 1
1 226 . 7 1 1 A 20 20 LEU N N 20 124.600 125.930 -1.330 1
1 227 . 7 1 1 A 21 21 VAL H H 21 8.880 9.271 -0.391 1
1 228 . 7 1 1 A 21 21 VAL HA H 21 4.540 4.975 -0.435 1
1 236 . 7 1 1 A 21 21 VAL C C 21 175.000 174.138 0.862 1
1 237 . 7 1 1 A 21 21 VAL CA C 21 59.400 58.761 0.639 1
1 238 . 7 1 1 A 21 21 VAL CB C 21 33.300 34.009 -0.709 1
1 241 . 7 1 1 A 21 21 VAL N N 21 123.200 122.563 0.637 1
1 242 . 7 1 1 A 22 22 PRO HA H 22 3.520 4.326 -0.806 1
1 249 . 7 1 1 A 22 22 PRO C C 22 176.300 177.413 -1.113 1
1 250 . 7 1 1 A 22 22 PRO CA C 22 62.600 62.434 0.166 1
1 251 . 7 1 1 A 22 22 PRO CB C 22 30.800 31.712 -0.912 1
1 254 . 7 1 1 A 23 23 GLU H H 23 8.830 9.452 -0.622 1
1 255 . 7 1 1 A 23 23 GLU HA H 23 4.070 4.246 -0.176 1
1 260 . 7 1 1 A 23 23 GLU C C 23 176.700 176.621 0.079 1
1 261 . 7 1 1 A 23 23 GLU CA C 23 57.700 59.148 -1.448 1
1 262 . 7 1 1 A 23 23 GLU CB C 23 30.900 31.430 -0.530 1
1 264 . 7 1 1 A 23 23 GLU N N 23 121.200 120.272 0.928 1
1 265 . 7 1 1 A 24 24 LYS H H 24 7.120 7.773 -0.653 1
1 266 . 7 1 1 A 24 24 LYS HA H 24 4.480 5.068 -0.588 1
1 275 . 7 1 1 A 24 24 LYS C C 24 173.900 174.912 -1.012 1
1 276 . 7 1 1 A 24 24 LYS CA C 24 55.000 54.813 0.187 1
1 277 . 7 1 1 A 24 24 LYS CB C 24 36.800 35.823 0.977 1
1 281 . 7 1 1 A 24 24 LYS N N 24 114.600 115.001 -0.401 1
1 282 . 7 1 1 A 25 25 VAL H H 25 8.240 8.832 -0.592 1
1 283 . 7 1 1 A 25 25 VAL HA H 25 5.030 5.112 -0.082 1
1 291 . 7 1 1 A 25 25 VAL C C 25 174.500 174.699 -0.199 1
1 292 . 7 1 1 A 25 25 VAL CA C 25 60.200 59.910 0.290 1
1 293 . 7 1 1 A 25 25 VAL CB C 25 35.400 35.477 -0.077 1
1 296 . 7 1 1 A 25 25 VAL N N 25 117.400 117.402 -0.002 1
1 297 . 7 1 1 A 26 26 TRP H H 26 9.130 8.824 0.306 1
1 298 . 7 1 1 A 26 26 TRP HA H 26 4.880 5.391 -0.511 1
1 307 . 7 1 1 A 26 26 TRP C C 26 172.600 173.020 -0.420 1
1 308 . 7 1 1 A 26 26 TRP CA C 26 57.800 55.572 2.228 1
1 309 . 7 1 1 A 26 26 TRP CB C 26 31.500 32.218 -0.718 1
1 315 . 7 1 1 A 26 26 TRP N N 26 122.500 121.083 1.417 1
1 317 . 7 1 1 A 27 27 ALA H H 27 8.640 9.041 -0.401 1
1 318 . 7 1 1 A 27 27 ALA HA H 27 5.170 5.599 -0.429 1
1 322 . 7 1 1 A 27 27 ALA C C 27 177.000 175.866 1.134 1
1 323 . 7 1 1 A 27 27 ALA CA C 27 50.500 50.108 0.392 1
1 324 . 7 1 1 A 27 27 ALA CB C 27 21.000 21.960 -0.960 1
1 325 . 7 1 1 A 27 27 ALA N N 27 122.200 122.913 -0.713 1
1 326 . 7 1 1 A 28 28 LEU H H 28 8.860 9.579 -0.719 1
1 327 . 7 1 1 A 28 28 LEU HA H 28 4.590 5.076 -0.486 1
1 337 . 7 1 1 A 28 28 LEU C C 28 176.100 175.172 0.928 1
1 338 . 7 1 1 A 28 28 LEU CA C 28 54.500 53.651 0.849 1
1 339 . 7 1 1 A 28 28 LEU CB C 28 43.100 42.667 0.433 1
1 343 . 7 1 1 A 28 28 LEU N N 28 123.300 123.228 0.072 1
1 344 . 7 1 1 A 29 29 ALA H H 29 8.540 8.822 -0.282 1
1 345 . 7 1 1 A 29 29 ALA HA H 29 4.820 4.749 0.071 1
1 349 . 7 1 1 A 29 29 ALA C C 29 174.300 176.629 -2.329 1
1 350 . 7 1 1 A 29 29 ALA CA C 29 50.000 49.046 0.954 1
1 351 . 7 1 1 A 29 29 ALA CB C 29 19.000 20.387 -1.387 1
1 352 . 7 1 1 A 29 29 ALA N N 29 125.900 128.343 -2.443 1
1 353 . 7 1 1 A 30 30 PRO HA H 30 4.440 4.671 -0.231 1
1 360 . 7 1 1 A 30 30 PRO C C 30 176.800 177.022 -0.222 1
1 361 . 7 1 1 A 30 30 PRO CA C 30 62.600 62.654 -0.054 1
1 362 . 7 1 1 A 30 30 PRO CB C 30 31.900 29.797 2.103 1
1 365 . 7 1 1 A 31 31 LYS H H 31 8.370 8.476 -0.106 1
1 366 . 7 1 1 A 31 31 LYS HA H 31 4.170 4.027 0.143 1
1 375 . 7 1 1 A 31 31 LYS C C 31 177.700 176.625 1.075 1
1 376 . 7 1 1 A 31 31 LYS CA C 31 57.300 57.479 -0.179 1
1 377 . 7 1 1 A 31 31 LYS CB C 31 32.000 30.820 1.180 1
1 381 . 7 1 1 A 31 31 LYS N N 31 121.500 116.912 4.588 1
1 382 . 7 1 1 A 32 32 GLY H H 32 8.720 8.357 0.363 1
1 383 . 7 1 1 A 32 32 GLY HA2 H 32 3.780 3.885 -0.105 1
1 384 . 7 1 1 A 32 32 GLY HA3 H 32 4.120 3.887 0.233 1
1 385 . 7 1 1 A 32 32 GLY C C 32 173.900 173.931 -0.031 1
1 386 . 7 1 1 A 32 32 GLY CA C 32 45.700 46.323 -0.623 1
1 387 . 7 1 1 A 32 32 GLY N N 32 112.200 105.309 6.891 1
1 388 . 7 1 1 A 33 33 ARG H H 33 7.790 8.815 -1.025 1
1 389 . 7 1 1 A 33 33 ARG HA H 33 4.590 4.144 0.446 1
1 396 . 7 1 1 A 33 33 ARG C C 33 175.200 175.156 0.044 1
1 397 . 7 1 1 A 33 33 ARG CA C 33 54.700 58.085 -3.385 1
1 398 . 7 1 1 A 33 33 ARG CB C 33 32.300 30.282 2.018 1
1 401 . 7 1 1 A 33 33 ARG N N 33 118.800 122.023 -3.223 1
1 402 . 7 1 1 A 34 34 LYS H H 34 8.190 8.363 -0.173 1
1 403 . 7 1 1 A 34 34 LYS HA H 34 4.280 4.595 -0.315 1
1 412 . 7 1 1 A 34 34 LYS C C 34 176.700 175.927 0.773 1
1 413 . 7 1 1 A 34 34 LYS CA C 34 56.800 57.374 -0.574 1
1 414 . 7 1 1 A 34 34 LYS CB C 34 32.900 35.267 -2.367 1
1 418 . 7 1 1 A 34 34 LYS N N 34 120.600 118.667 1.933 1
1 419 . 7 1 1 A 35 35 GLY H H 35 8.490 7.501 0.989 1
1 420 . 7 1 1 A 35 35 GLY HA2 H 35 3.900 4.053 -0.153 1
1 421 . 7 1 1 A 35 35 GLY HA3 H 35 4.260 4.054 0.206 1
1 422 . 7 1 1 A 35 35 GLY C C 35 173.200 172.975 0.225 1
1 423 . 7 1 1 A 35 35 GLY CA C 35 45.500 44.645 0.855 1
1 424 . 7 1 1 A 35 35 GLY N N 35 110.400 106.390 4.010 1
1 425 . 7 1 1 A 36 36 VAL H H 36 8.130 9.117 -0.987 1
1 426 . 7 1 1 A 36 36 VAL HA H 36 4.380 4.282 0.098 1
1 434 . 7 1 1 A 36 36 VAL C C 36 174.100 175.055 -0.955 1
1 435 . 7 1 1 A 36 36 VAL CA C 36 61.500 62.505 -1.005 1
1 436 . 7 1 1 A 36 36 VAL CB C 36 34.700 32.004 2.696 1
1 438 . 7 1 1 A 36 36 VAL N N 36 119.000 123.497 -4.497 1
1 439 . 7 1 1 A 37 37 LYS H H 37 9.020 8.721 0.299 1
1 440 . 7 1 1 A 37 37 LYS HA H 37 5.070 4.747 0.323 1
1 449 . 7 1 1 A 37 37 LYS C C 37 174.700 175.422 -0.722 1
1 450 . 7 1 1 A 37 37 LYS CA C 37 55.400 55.451 -0.051 1
1 451 . 7 1 1 A 37 37 LYS CB C 37 35.700 33.858 1.842 1
1 455 . 7 1 1 A 37 37 LYS N N 37 125.600 127.207 -1.607 1
1 456 . 7 1 1 A 38 38 ILE H H 38 8.860 8.864 -0.004 1
1 457 . 7 1 1 A 38 38 ILE HA H 38 4.390 4.639 -0.249 1
1 467 . 7 1 1 A 38 38 ILE C C 38 173.100 174.376 -1.276 1
1 468 . 7 1 1 A 38 38 ILE CA C 38 59.000 59.384 -0.384 1
1 469 . 7 1 1 A 38 38 ILE CB C 38 40.900 40.704 0.196 1
1 473 . 7 1 1 A 38 38 ILE N N 38 123.300 124.464 -1.164 1
1 474 . 7 1 1 A 39 39 GLY H H 39 8.600 8.776 -0.176 1
1 475 . 7 1 1 A 39 39 GLY HA2 H 39 2.920 3.887 -0.967 1
1 476 . 7 1 1 A 39 39 GLY HA3 H 39 5.060 3.898 1.162 1
1 477 . 7 1 1 A 39 39 GLY C C 39 170.400 171.314 -0.914 1
1 478 . 7 1 1 A 39 39 GLY CA C 39 43.800 43.540 0.260 1
1 479 . 7 1 1 A 39 39 GLY N N 39 109.500 114.260 -4.760 1
1 480 . 7 1 1 A 40 40 LEU H H 40 8.090 8.755 -0.665 1
1 481 . 7 1 1 A 40 40 LEU HA H 40 4.870 4.937 -0.067 1
1 491 . 7 1 1 A 40 40 LEU C C 40 174.100 174.509 -0.409 1
1 492 . 7 1 1 A 40 40 LEU CA C 40 53.400 53.454 -0.054 1
1 493 . 7 1 1 A 40 40 LEU CB C 40 45.500 44.339 1.161 1
1 497 . 7 1 1 A 40 40 LEU N N 40 122.200 124.313 -2.113 1
1 498 . 7 1 1 A 41 41 PHE H H 41 9.180 9.614 -0.434 1
1 499 . 7 1 1 A 41 41 PHE HA H 41 4.620 5.124 -0.504 1
1 507 . 7 1 1 A 41 41 PHE C C 41 173.000 173.943 -0.943 1
1 508 . 7 1 1 A 41 41 PHE CA C 41 56.000 56.047 -0.047 1
1 509 . 7 1 1 A 41 41 PHE CB C 41 43.400 43.155 0.245 1
1 515 . 7 1 1 A 41 41 PHE N N 41 124.600 125.379 -0.779 1
1 516 . 7 1 1 A 42 42 LYS H H 42 8.460 8.778 -0.318 1
1 517 . 7 1 1 A 42 42 LYS HA H 42 4.320 5.032 -0.712 1
1 526 . 7 1 1 A 42 42 LYS C C 42 175.800 174.885 0.915 1
1 527 . 7 1 1 A 42 42 LYS CA C 42 54.700 54.421 0.279 1
1 528 . 7 1 1 A 42 42 LYS CB C 42 34.500 35.293 -0.793 1
1 532 . 7 1 1 A 42 42 LYS N N 42 120.800 120.612 0.188 1
1 533 . 7 1 1 A 43 43 ASP H H 43 8.970 9.089 -0.119 1
1 534 . 7 1 1 A 43 43 ASP HA H 43 4.720 4.873 -0.153 1
1 537 . 7 1 1 A 43 43 ASP C C 43 175.800 175.799 0.001 1
1 538 . 7 1 1 A 43 43 ASP CA C 43 52.100 51.744 0.356 1
1 539 . 7 1 1 A 43 43 ASP CB C 43 42.700 42.255 0.445 1
1 540 . 7 1 1 A 43 43 ASP N N 43 127.600 127.118 0.482 1
1 541 . 7 1 1 A 44 44 PRO HA H 44 4.320 4.481 -0.161 1
1 548 . 7 1 1 A 44 44 PRO C C 44 177.900 178.034 -0.134 1
1 549 . 7 1 1 A 44 44 PRO CA C 44 64.300 64.363 -0.063 1
1 550 . 7 1 1 A 44 44 PRO CB C 44 32.300 31.824 0.476 1
1 553 . 7 1 1 A 45 45 GLU H H 45 8.320 8.344 -0.024 1
1 554 . 7 1 1 A 45 45 GLU HA H 45 4.230 4.208 0.022 1
1 559 . 7 1 1 A 45 45 GLU C C 45 177.800 178.442 -0.642 1
1 560 . 7 1 1 A 45 45 GLU CA C 45 58.600 59.244 -0.644 1
1 561 . 7 1 1 A 45 45 GLU CB C 45 30.700 30.113 0.587 1
1 563 . 7 1 1 A 45 45 GLU N N 45 116.000 118.149 -2.149 1
1 564 . 7 1 1 A 46 46 THR H H 46 7.320 8.658 -1.338 1
1 565 . 7 1 1 A 46 46 THR HA H 46 4.460 4.383 0.077 1
1 570 . 7 1 1 A 46 46 THR C C 46 176.300 176.150 0.150 1
1 571 . 7 1 1 A 46 46 THR CA C 46 61.700 62.753 -1.053 1
1 572 . 7 1 1 A 46 46 THR CB C 46 71.500 70.318 1.182 1
1 574 . 7 1 1 A 46 46 THR N N 46 105.100 108.912 -3.812 1
1 575 . 7 1 1 A 47 47 GLY H H 47 8.550 8.665 -0.115 1
1 576 . 7 1 1 A 47 47 GLY HA2 H 47 3.570 3.904 -0.334 1
1 577 . 7 1 1 A 47 47 GLY HA3 H 47 4.160 3.923 0.237 1
1 578 . 7 1 1 A 47 47 GLY C C 47 173.200 173.865 -0.665 1
1 579 . 7 1 1 A 47 47 GLY CA C 47 45.700 45.714 -0.014 1
1 580 . 7 1 1 A 47 47 GLY N N 47 111.500 111.925 -0.425 1
1 581 . 7 1 1 A 48 48 LYS H H 48 7.700 7.687 0.013 1
1 582 . 7 1 1 A 48 48 LYS HA H 48 4.410 5.044 -0.634 1
1 591 . 7 1 1 A 48 48 LYS C C 48 176.600 174.702 1.898 1
1 592 . 7 1 1 A 48 48 LYS CA C 48 55.800 54.059 1.741 1
1 593 . 7 1 1 A 48 48 LYS CB C 48 33.900 36.017 -2.117 1
1 597 . 7 1 1 A 48 48 LYS N N 48 118.800 115.300 3.500 1
1 598 . 7 1 1 A 49 49 TYR H H 49 8.740 9.115 -0.375 1
1 599 . 7 1 1 A 49 49 TYR HA H 49 5.670 5.724 -0.054 1
1 606 . 7 1 1 A 49 49 TYR C C 49 177.400 175.616 1.784 1
1 607 . 7 1 1 A 49 49 TYR CA C 49 58.200 57.065 1.135 1
1 608 . 7 1 1 A 49 49 TYR CB C 49 40.300 40.859 -0.559 1
1 613 . 7 1 1 A 49 49 TYR N N 49 121.100 120.347 0.753 1
1 614 . 7 1 1 A 50 50 PHE H H 50 9.630 9.325 0.305 1
1 615 . 7 1 1 A 50 50 PHE HA H 50 5.150 5.485 -0.335 1
1 623 . 7 1 1 A 50 50 PHE C C 50 172.500 173.355 -0.855 1
1 624 . 7 1 1 A 50 50 PHE CA C 50 56.200 55.483 0.717 1
1 625 . 7 1 1 A 50 50 PHE CB C 50 41.400 42.322 -0.922 1
1 631 . 7 1 1 A 50 50 PHE N N 50 118.400 118.458 -0.058 1
1 632 . 7 1 1 A 51 51 ARG H H 51 8.940 8.906 0.034 1
1 633 . 7 1 1 A 51 51 ARG HA H 51 5.740 5.374 0.366 1
1 640 . 7 1 1 A 51 51 ARG C C 51 176.600 175.403 1.197 1
1 641 . 7 1 1 A 51 51 ARG CA C 51 54.900 55.561 -0.661 1
1 642 . 7 1 1 A 51 51 ARG CB C 51 32.700 31.797 0.903 1
1 645 . 7 1 1 A 51 51 ARG N N 51 120.700 119.445 1.255 1
1 646 . 7 1 1 A 52 52 HIS H H 52 9.130 9.097 0.033 1
1 647 . 7 1 1 A 52 52 HIS HA H 52 4.730 5.153 -0.423 1
1 651 . 7 1 1 A 52 52 HIS C C 52 173.900 173.490 0.410 1
1 652 . 7 1 1 A 52 52 HIS CA C 52 56.600 55.850 0.750 1
1 653 . 7 1 1 A 52 52 HIS CB C 52 33.700 33.611 0.089 1
1 655 . 7 1 1 A 52 52 HIS N N 52 120.400 121.659 -1.259 1
1 656 . 7 1 1 A 53 53 LYS H H 53 8.770 7.780 0.990 1
1 657 . 7 1 1 A 53 53 LYS HA H 53 4.590 4.340 0.250 1
1 666 . 7 1 1 A 53 53 LYS C C 53 176.700 175.879 0.821 1
1 667 . 7 1 1 A 53 53 LYS CA C 53 58.000 56.005 1.995 1
1 668 . 7 1 1 A 53 53 LYS CB C 53 33.300 32.780 0.520 1
1 672 . 7 1 1 A 53 53 LYS N N 53 127.500 119.903 7.597 1
1 673 . 7 1 1 A 54 54 LEU H H 54 8.690 9.195 -0.505 1
1 674 . 7 1 1 A 54 54 LEU HA H 54 4.830 4.694 0.136 1
1 684 . 7 1 1 A 54 54 LEU C C 54 173.900 174.539 -0.639 1
1 685 . 7 1 1 A 54 54 LEU CA C 54 51.700 52.516 -0.816 1
1 686 . 7 1 1 A 54 54 LEU CB C 54 41.400 41.701 -0.301 1
1 690 . 7 1 1 A 54 54 LEU N N 54 125.400 123.961 1.439 1
1 691 . 7 1 1 A 55 55 PRO HA H 55 4.420 4.574 -0.154 1
1 698 . 7 1 1 A 55 55 PRO C C 55 177.100 177.231 -0.131 1
1 699 . 7 1 1 A 55 55 PRO CA C 55 62.900 62.872 0.028 1
1 700 . 7 1 1 A 55 55 PRO CB C 55 32.500 32.577 -0.077 1
1 703 . 7 1 1 A 56 56 ASP H H 56 8.740 8.763 -0.023 1
1 704 . 7 1 1 A 56 56 ASP HA H 56 4.440 4.300 0.140 1
1 707 . 7 1 1 A 56 56 ASP C C 56 177.200 177.339 -0.139 1
1 708 . 7 1 1 A 56 56 ASP CA C 56 57.500 56.451 1.049 1
1 709 . 7 1 1 A 56 56 ASP CB C 56 40.500 40.070 0.430 1
1 710 . 7 1 1 A 56 56 ASP N N 56 120.700 123.800 -3.100 1
1 711 . 7 1 1 A 57 57 ASP H H 57 8.350 7.826 0.524 1
1 712 . 7 1 1 A 57 57 ASP HA H 57 4.620 4.656 -0.036 1
1 715 . 7 1 1 A 57 57 ASP C C 57 176.300 176.078 0.222 1
1 716 . 7 1 1 A 57 57 ASP CA C 57 52.600 55.191 -2.591 1
1 717 . 7 1 1 A 57 57 ASP CB C 57 39.500 41.286 -1.786 1
1 718 . 7 1 1 A 57 57 ASP N N 57 116.400 119.051 -2.651 1
1 719 . 7 1 1 A 58 58 TYR H H 58 7.890 7.646 0.244 1
1 720 . 7 1 1 A 58 58 TYR HA H 58 4.350 4.609 -0.259 1
1 727 . 7 1 1 A 58 58 TYR C C 58 174.400 174.441 -0.041 1
1 728 . 7 1 1 A 58 58 TYR CA C 58 58.400 57.149 1.251 1
1 729 . 7 1 1 A 58 58 TYR CB C 58 40.300 39.456 0.844 1
1 734 . 7 1 1 A 58 58 TYR N N 58 125.500 121.672 3.828 1
1 735 . 7 1 1 A 59 59 PRO HA H 59 4.360 4.724 -0.364 1
1 742 . 7 1 1 A 59 59 PRO C C 59 174.700 176.632 -1.932 1
1 743 . 7 1 1 A 59 59 PRO CA C 59 63.400 62.301 1.099 1
1 744 . 7 1 1 A 59 59 PRO CB C 59 31.100 31.732 -0.632 1
1 1 . 8 1 1 A 3 3 SER HA H 3 4.520 4.802 -0.282 1
1 4 . 8 1 1 A 3 3 SER C C 3 174.700 174.424 0.276 1
1 5 . 8 1 1 A 3 3 SER CA C 3 58.400 57.388 1.012 1
1 6 . 8 1 1 A 3 3 SER CB C 3 64.000 64.066 -0.066 1
1 7 . 8 1 1 A 4 4 GLY H H 4 8.350 8.086 0.264 1
1 8 . 8 1 1 A 4 4 GLY HA2 H 4 3.910 3.936 -0.026 1
1 9 . 8 1 1 A 4 4 GLY HA3 H 4 4.050 3.949 0.101 1
1 10 . 8 1 1 A 4 4 GLY C C 4 173.800 174.014 -0.214 1
1 11 . 8 1 1 A 4 4 GLY CA C 4 45.300 45.958 -0.658 1
1 12 . 8 1 1 A 4 4 GLY N N 4 110.300 109.337 0.963 1
1 13 . 8 1 1 A 5 5 LYS H H 5 8.110 7.873 0.237 1
1 14 . 8 1 1 A 5 5 LYS HA H 5 4.310 4.515 -0.205 1
1 23 . 8 1 1 A 5 5 LYS C C 5 175.700 176.145 -0.445 1
1 24 . 8 1 1 A 5 5 LYS CA C 5 56.100 56.209 -0.109 1
1 25 . 8 1 1 A 5 5 LYS CB C 5 33.200 33.377 -0.177 1
1 29 . 8 1 1 A 5 5 LYS N N 5 120.500 119.400 1.100 1
1 30 . 8 1 1 A 6 6 LYS H H 6 7.980 8.711 -0.731 1
1 31 . 8 1 1 A 6 6 LYS HA H 6 4.730 4.943 -0.213 1
1 40 . 8 1 1 A 6 6 LYS C C 6 174.800 173.674 1.126 1
1 41 . 8 1 1 A 6 6 LYS CA C 6 54.000 54.245 -0.245 1
1 42 . 8 1 1 A 6 6 LYS CB C 6 33.300 36.058 -2.758 1
1 46 . 8 1 1 A 6 6 LYS N N 6 121.900 118.984 2.916 1
1 47 . 8 1 1 A 7 7 PRO HA H 7 4.610 5.122 -0.512 1
1 54 . 8 1 1 A 7 7 PRO C C 7 175.900 175.413 0.487 1
1 55 . 8 1 1 A 7 7 PRO CA C 7 62.500 63.078 -0.578 1
1 56 . 8 1 1 A 7 7 PRO CB C 7 32.600 32.540 0.060 1
1 59 . 8 1 1 A 8 8 VAL H H 8 9.040 9.010 0.030 1
1 60 . 8 1 1 A 8 8 VAL HA H 8 4.430 4.759 -0.329 1
1 68 . 8 1 1 A 8 8 VAL C C 8 173.900 173.552 0.348 1
1 69 . 8 1 1 A 8 8 VAL CA C 8 60.200 59.711 0.489 1
1 70 . 8 1 1 A 8 8 VAL CB C 8 35.600 35.970 -0.370 1
1 73 . 8 1 1 A 8 8 VAL N N 8 119.900 122.077 -2.177 1
1 74 . 8 1 1 A 9 9 LYS H H 9 8.390 8.449 -0.059 1
1 75 . 8 1 1 A 9 9 LYS HA H 9 4.610 4.445 0.165 1
1 84 . 8 1 1 A 9 9 LYS C C 9 175.500 175.181 0.319 1
1 85 . 8 1 1 A 9 9 LYS CA C 9 56.800 56.431 0.369 1
1 86 . 8 1 1 A 9 9 LYS CB C 9 31.700 32.808 -1.108 1
1 90 . 8 1 1 A 9 9 LYS N N 9 125.800 128.048 -2.248 1
1 91 . 8 1 1 A 10 10 VAL H H 10 8.740 8.831 -0.091 1
1 92 . 8 1 1 A 10 10 VAL HA H 10 4.040 4.691 -0.651 1
1 100 . 8 1 1 A 10 10 VAL C C 10 173.600 173.914 -0.314 1
1 101 . 8 1 1 A 10 10 VAL CA C 10 58.600 59.078 -0.478 1
1 102 . 8 1 1 A 10 10 VAL CB C 10 35.200 35.342 -0.142 1
1 105 . 8 1 1 A 10 10 VAL N N 10 120.700 125.982 -5.282 1
1 106 . 8 1 1 A 11 11 LYS H H 11 7.320 7.943 -0.623 1
1 107 . 8 1 1 A 11 11 LYS HA H 11 5.000 4.755 0.245 1
1 116 . 8 1 1 A 11 11 LYS C C 11 176.600 176.098 0.502 1
1 117 . 8 1 1 A 11 11 LYS CA C 11 54.800 55.692 -0.892 1
1 118 . 8 1 1 A 11 11 LYS CB C 11 33.700 32.999 0.701 1
1 122 . 8 1 1 A 11 11 LYS N N 11 120.600 122.973 -2.373 1
1 123 . 8 1 1 A 12 12 THR H H 12 8.950 9.204 -0.254 1
1 124 . 8 1 1 A 12 12 THR HA H 12 3.700 4.121 -0.421 1
1 129 . 8 1 1 A 12 12 THR C C 12 175.100 174.175 0.925 1
1 130 . 8 1 1 A 12 12 THR CA C 12 59.700 58.796 0.904 1
1 131 . 8 1 1 A 12 12 THR CB C 12 67.700 69.901 -2.201 1
1 133 . 8 1 1 A 12 12 THR N N 12 115.400 112.477 2.923 1
1 134 . 8 1 1 A 13 13 PRO HA H 13 4.180 4.323 -0.143 1
1 141 . 8 1 1 A 13 13 PRO C C 13 177.000 177.032 -0.032 1
1 142 . 8 1 1 A 13 13 PRO CA C 13 65.000 63.914 1.086 1
1 143 . 8 1 1 A 13 13 PRO CB C 13 31.400 31.637 -0.237 1
1 146 . 8 1 1 A 14 14 ALA H H 14 7.240 7.422 -0.182 1
1 147 . 8 1 1 A 14 14 ALA HA H 14 4.310 4.180 0.130 1
1 151 . 8 1 1 A 14 14 ALA C C 14 177.900 177.737 0.163 1
1 152 . 8 1 1 A 14 14 ALA CA C 14 52.200 52.060 0.140 1
1 153 . 8 1 1 A 14 14 ALA CB C 14 19.000 19.262 -0.262 1
1 154 . 8 1 1 A 14 14 ALA N N 14 116.100 117.453 -1.353 1
1 155 . 8 1 1 A 15 15 GLY H H 15 8.310 8.739 -0.429 1
1 156 . 8 1 1 A 15 15 GLY HA2 H 15 3.520 3.873 -0.353 1
1 157 . 8 1 1 A 15 15 GLY HA3 H 15 4.220 3.889 0.331 1
1 158 . 8 1 1 A 15 15 GLY C C 15 174.000 173.616 0.384 1
1 159 . 8 1 1 A 15 15 GLY CA C 15 45.300 45.968 -0.668 1
1 160 . 8 1 1 A 15 15 GLY N N 15 107.000 108.036 -1.036 1
1 161 . 8 1 1 A 16 16 LYS H H 16 6.960 7.410 -0.450 1
1 162 . 8 1 1 A 16 16 LYS HA H 16 4.490 4.929 -0.439 1
1 171 . 8 1 1 A 16 16 LYS C C 16 175.400 174.482 0.918 1
1 172 . 8 1 1 A 16 16 LYS CA C 16 54.800 54.214 0.586 1
1 173 . 8 1 1 A 16 16 LYS CB C 16 33.900 36.377 -2.477 1
1 177 . 8 1 1 A 16 16 LYS N N 16 119.200 115.212 3.988 1
1 178 . 8 1 1 A 17 17 GLU H H 17 8.520 8.369 0.151 1
1 179 . 8 1 1 A 17 17 GLU HA H 17 4.990 5.310 -0.320 1
1 184 . 8 1 1 A 17 17 GLU C C 17 175.800 175.503 0.297 1
1 185 . 8 1 1 A 17 17 GLU CA C 17 55.900 54.860 1.040 1
1 186 . 8 1 1 A 17 17 GLU CB C 17 30.900 32.548 -1.648 1
1 188 . 8 1 1 A 17 17 GLU N N 17 122.200 119.227 2.973 1
1 189 . 8 1 1 A 18 18 ALA H H 18 8.870 8.803 0.067 1
1 190 . 8 1 1 A 18 18 ALA HA H 18 4.620 4.892 -0.272 1
1 194 . 8 1 1 A 18 18 ALA C C 18 174.600 176.292 -1.692 1
1 195 . 8 1 1 A 18 18 ALA CA C 18 51.000 50.957 0.043 1
1 196 . 8 1 1 A 18 18 ALA CB C 18 22.300 23.643 -1.343 1
1 197 . 8 1 1 A 18 18 ALA N N 18 127.200 123.520 3.680 1
1 198 . 8 1 1 A 19 19 GLU H H 19 8.450 8.414 0.036 1
1 199 . 8 1 1 A 19 19 GLU HA H 19 4.830 5.074 -0.244 1
1 204 . 8 1 1 A 19 19 GLU C C 19 175.200 175.377 -0.177 1
1 205 . 8 1 1 A 19 19 GLU CA C 19 55.400 56.076 -0.676 1
1 206 . 8 1 1 A 19 19 GLU CB C 19 30.100 30.407 -0.307 1
1 208 . 8 1 1 A 19 19 GLU N N 19 121.700 119.173 2.527 1
1 209 . 8 1 1 A 20 20 LEU H H 20 8.470 8.874 -0.404 1
1 210 . 8 1 1 A 20 20 LEU HA H 20 5.030 5.130 -0.100 1
1 220 . 8 1 1 A 20 20 LEU C C 20 175.600 175.177 0.423 1
1 221 . 8 1 1 A 20 20 LEU CA C 20 53.000 53.329 -0.329 1
1 222 . 8 1 1 A 20 20 LEU CB C 20 47.600 45.267 2.333 1
1 226 . 8 1 1 A 20 20 LEU N N 20 124.600 126.491 -1.891 1
1 227 . 8 1 1 A 21 21 VAL H H 21 8.880 9.132 -0.252 1
1 228 . 8 1 1 A 21 21 VAL HA H 21 4.540 4.924 -0.384 1
1 236 . 8 1 1 A 21 21 VAL C C 21 175.000 174.082 0.918 1
1 237 . 8 1 1 A 21 21 VAL CA C 21 59.400 59.319 0.081 1
1 238 . 8 1 1 A 21 21 VAL CB C 21 33.300 33.710 -0.410 1
1 241 . 8 1 1 A 21 21 VAL N N 21 123.200 123.406 -0.206 1
1 242 . 8 1 1 A 22 22 PRO HA H 22 3.520 4.640 -1.120 1
1 249 . 8 1 1 A 22 22 PRO C C 22 176.300 177.526 -1.226 1
1 250 . 8 1 1 A 22 22 PRO CA C 22 62.600 62.263 0.337 1
1 251 . 8 1 1 A 22 22 PRO CB C 22 30.800 31.267 -0.467 1
1 254 . 8 1 1 A 23 23 GLU H H 23 8.830 9.220 -0.390 1
1 255 . 8 1 1 A 23 23 GLU HA H 23 4.070 4.274 -0.204 1
1 260 . 8 1 1 A 23 23 GLU C C 23 176.700 176.094 0.606 1
1 261 . 8 1 1 A 23 23 GLU CA C 23 57.700 59.346 -1.646 1
1 262 . 8 1 1 A 23 23 GLU CB C 23 30.900 30.620 0.280 1
1 264 . 8 1 1 A 23 23 GLU N N 23 121.200 122.840 -1.640 1
1 265 . 8 1 1 A 24 24 LYS H H 24 7.120 7.656 -0.536 1
1 266 . 8 1 1 A 24 24 LYS HA H 24 4.480 5.006 -0.526 1
1 275 . 8 1 1 A 24 24 LYS C C 24 173.900 174.668 -0.768 1
1 276 . 8 1 1 A 24 24 LYS CA C 24 55.000 55.675 -0.675 1
1 277 . 8 1 1 A 24 24 LYS CB C 24 36.800 35.526 1.274 1
1 281 . 8 1 1 A 24 24 LYS N N 24 114.600 118.775 -4.175 1
1 282 . 8 1 1 A 25 25 VAL H H 25 8.240 8.800 -0.560 1
1 283 . 8 1 1 A 25 25 VAL HA H 25 5.030 5.104 -0.074 1
1 291 . 8 1 1 A 25 25 VAL C C 25 174.500 174.907 -0.407 1
1 292 . 8 1 1 A 25 25 VAL CA C 25 60.200 60.068 0.132 1
1 293 . 8 1 1 A 25 25 VAL CB C 25 35.400 35.005 0.395 1
1 296 . 8 1 1 A 25 25 VAL N N 25 117.400 119.260 -1.860 1
1 297 . 8 1 1 A 26 26 TRP H H 26 9.130 8.996 0.134 1
1 298 . 8 1 1 A 26 26 TRP HA H 26 4.880 5.491 -0.611 1
1 307 . 8 1 1 A 26 26 TRP C C 26 172.600 172.997 -0.397 1
1 308 . 8 1 1 A 26 26 TRP CA C 26 57.800 55.466 2.334 1
1 309 . 8 1 1 A 26 26 TRP CB C 26 31.500 32.586 -1.086 1
1 315 . 8 1 1 A 26 26 TRP N N 26 122.500 121.383 1.117 1
1 317 . 8 1 1 A 27 27 ALA H H 27 8.640 8.901 -0.261 1
1 318 . 8 1 1 A 27 27 ALA HA H 27 5.170 5.107 0.063 1
1 322 . 8 1 1 A 27 27 ALA C C 27 177.000 176.100 0.900 1
1 323 . 8 1 1 A 27 27 ALA CA C 27 50.500 50.292 0.208 1
1 324 . 8 1 1 A 27 27 ALA CB C 27 21.000 20.654 0.346 1
1 325 . 8 1 1 A 27 27 ALA N N 27 122.200 123.153 -0.953 1
1 326 . 8 1 1 A 28 28 LEU H H 28 8.860 9.696 -0.836 1
1 327 . 8 1 1 A 28 28 LEU HA H 28 4.590 4.793 -0.203 1
1 337 . 8 1 1 A 28 28 LEU C C 28 176.100 175.167 0.933 1
1 338 . 8 1 1 A 28 28 LEU CA C 28 54.500 54.117 0.383 1
1 339 . 8 1 1 A 28 28 LEU CB C 28 43.100 41.558 1.542 1
1 343 . 8 1 1 A 28 28 LEU N N 28 123.300 124.269 -0.969 1
1 344 . 8 1 1 A 29 29 ALA H H 29 8.540 8.665 -0.125 1
1 345 . 8 1 1 A 29 29 ALA HA H 29 4.820 5.058 -0.238 1
1 349 . 8 1 1 A 29 29 ALA C C 29 174.300 175.059 -0.759 1
1 350 . 8 1 1 A 29 29 ALA CA C 29 50.000 49.515 0.485 1
1 351 . 8 1 1 A 29 29 ALA CB C 29 19.000 19.690 -0.690 1
1 352 . 8 1 1 A 29 29 ALA N N 29 125.900 128.235 -2.335 1
1 353 . 8 1 1 A 30 30 PRO HA H 30 4.440 4.659 -0.219 1
1 360 . 8 1 1 A 30 30 PRO C C 30 176.800 176.626 0.174 1
1 361 . 8 1 1 A 30 30 PRO CA C 30 62.600 62.703 -0.103 1
1 362 . 8 1 1 A 30 30 PRO CB C 30 31.900 31.997 -0.097 1
1 365 . 8 1 1 A 31 31 LYS H H 31 8.370 8.552 -0.182 1
1 366 . 8 1 1 A 31 31 LYS HA H 31 4.170 3.930 0.240 1
1 375 . 8 1 1 A 31 31 LYS C C 31 177.700 177.384 0.316 1
1 376 . 8 1 1 A 31 31 LYS CA C 31 57.300 58.272 -0.972 1
1 377 . 8 1 1 A 31 31 LYS CB C 31 32.000 32.086 -0.086 1
1 381 . 8 1 1 A 31 31 LYS N N 31 121.500 122.567 -1.067 1
1 382 . 8 1 1 A 32 32 GLY H H 32 8.720 8.772 -0.052 1
1 383 . 8 1 1 A 32 32 GLY HA2 H 32 3.780 4.023 -0.243 1
1 384 . 8 1 1 A 32 32 GLY HA3 H 32 4.120 4.024 0.096 1
1 385 . 8 1 1 A 32 32 GLY C C 32 173.900 174.527 -0.627 1
1 386 . 8 1 1 A 32 32 GLY CA C 32 45.700 45.210 0.490 1
1 387 . 8 1 1 A 32 32 GLY N N 32 112.200 114.245 -2.045 1
1 388 . 8 1 1 A 33 33 ARG H H 33 7.790 7.901 -0.111 1
1 389 . 8 1 1 A 33 33 ARG HA H 33 4.590 4.711 -0.121 1
1 396 . 8 1 1 A 33 33 ARG C C 33 175.200 177.245 -2.045 1
1 397 . 8 1 1 A 33 33 ARG CA C 33 54.700 54.442 0.258 1
1 398 . 8 1 1 A 33 33 ARG CB C 33 32.300 32.468 -0.168 1
1 401 . 8 1 1 A 33 33 ARG N N 33 118.800 120.046 -1.246 1
1 402 . 8 1 1 A 34 34 LYS H H 34 8.190 8.758 -0.568 1
1 403 . 8 1 1 A 34 34 LYS HA H 34 4.280 4.039 0.241 1
1 412 . 8 1 1 A 34 34 LYS C C 34 176.700 176.699 0.001 1
1 413 . 8 1 1 A 34 34 LYS CA C 34 56.800 58.235 -1.435 1
1 414 . 8 1 1 A 34 34 LYS CB C 34 32.900 33.527 -0.627 1
1 418 . 8 1 1 A 34 34 LYS N N 34 120.600 123.592 -2.992 1
1 419 . 8 1 1 A 35 35 GLY H H 35 8.490 7.933 0.557 1
1 420 . 8 1 1 A 35 35 GLY HA2 H 35 3.900 4.028 -0.128 1
1 421 . 8 1 1 A 35 35 GLY HA3 H 35 4.260 4.028 0.232 1
1 422 . 8 1 1 A 35 35 GLY C C 35 173.200 173.647 -0.447 1
1 423 . 8 1 1 A 35 35 GLY CA C 35 45.500 45.041 0.459 1
1 424 . 8 1 1 A 35 35 GLY N N 35 110.400 106.209 4.191 1
1 425 . 8 1 1 A 36 36 VAL H H 36 8.130 8.489 -0.359 1
1 426 . 8 1 1 A 36 36 VAL HA H 36 4.380 5.007 -0.627 1
1 434 . 8 1 1 A 36 36 VAL C C 36 174.100 174.610 -0.510 1
1 435 . 8 1 1 A 36 36 VAL CA C 36 61.500 59.355 2.145 1
1 436 . 8 1 1 A 36 36 VAL CB C 36 34.700 35.006 -0.306 1
1 438 . 8 1 1 A 36 36 VAL N N 36 119.000 120.396 -1.396 1
1 439 . 8 1 1 A 37 37 LYS H H 37 9.020 8.566 0.454 1
1 440 . 8 1 1 A 37 37 LYS HA H 37 5.070 4.974 0.096 1
1 449 . 8 1 1 A 37 37 LYS C C 37 174.700 175.196 -0.496 1
1 450 . 8 1 1 A 37 37 LYS CA C 37 55.400 54.714 0.686 1
1 451 . 8 1 1 A 37 37 LYS CB C 37 35.700 35.296 0.404 1
1 455 . 8 1 1 A 37 37 LYS N N 37 125.600 121.105 4.495 1
1 456 . 8 1 1 A 38 38 ILE H H 38 8.860 8.812 0.048 1
1 457 . 8 1 1 A 38 38 ILE HA H 38 4.390 4.864 -0.474 1
1 467 . 8 1 1 A 38 38 ILE C C 38 173.100 174.145 -1.045 1
1 468 . 8 1 1 A 38 38 ILE CA C 38 59.000 59.390 -0.390 1
1 469 . 8 1 1 A 38 38 ILE CB C 38 40.900 41.293 -0.393 1
1 473 . 8 1 1 A 38 38 ILE N N 38 123.300 123.112 0.188 1
1 474 . 8 1 1 A 39 39 GLY H H 39 8.600 8.963 -0.363 1
1 475 . 8 1 1 A 39 39 GLY HA2 H 39 2.920 3.877 -0.957 1
1 476 . 8 1 1 A 39 39 GLY HA3 H 39 5.060 3.877 1.183 1
1 477 . 8 1 1 A 39 39 GLY C C 39 170.400 171.379 -0.979 1
1 478 . 8 1 1 A 39 39 GLY CA C 39 43.800 43.596 0.204 1
1 479 . 8 1 1 A 39 39 GLY N N 39 109.500 113.862 -4.362 1
1 480 . 8 1 1 A 40 40 LEU H H 40 8.090 8.869 -0.779 1
1 481 . 8 1 1 A 40 40 LEU HA H 40 4.870 4.822 0.048 1
1 491 . 8 1 1 A 40 40 LEU C C 40 174.100 174.561 -0.461 1
1 492 . 8 1 1 A 40 40 LEU CA C 40 53.400 53.502 -0.102 1
1 493 . 8 1 1 A 40 40 LEU CB C 40 45.500 43.948 1.552 1
1 497 . 8 1 1 A 40 40 LEU N N 40 122.200 124.353 -2.153 1
1 498 . 8 1 1 A 41 41 PHE H H 41 9.180 9.606 -0.426 1
1 499 . 8 1 1 A 41 41 PHE HA H 41 4.620 5.119 -0.499 1
1 507 . 8 1 1 A 41 41 PHE C C 41 173.000 174.003 -1.003 1
1 508 . 8 1 1 A 41 41 PHE CA C 41 56.000 56.250 -0.250 1
1 509 . 8 1 1 A 41 41 PHE CB C 41 43.400 42.759 0.641 1
1 515 . 8 1 1 A 41 41 PHE N N 41 124.600 126.072 -1.472 1
1 516 . 8 1 1 A 42 42 LYS H H 42 8.460 8.833 -0.373 1
1 517 . 8 1 1 A 42 42 LYS HA H 42 4.320 4.958 -0.638 1
1 526 . 8 1 1 A 42 42 LYS C C 42 175.800 175.190 0.610 1
1 527 . 8 1 1 A 42 42 LYS CA C 42 54.700 54.373 0.327 1
1 528 . 8 1 1 A 42 42 LYS CB C 42 34.500 35.205 -0.705 1
1 532 . 8 1 1 A 42 42 LYS N N 42 120.800 120.757 0.043 1
1 533 . 8 1 1 A 43 43 ASP H H 43 8.970 8.983 -0.013 1
1 534 . 8 1 1 A 43 43 ASP HA H 43 4.720 4.868 -0.148 1
1 537 . 8 1 1 A 43 43 ASP C C 43 175.800 176.336 -0.536 1
1 538 . 8 1 1 A 43 43 ASP CA C 43 52.100 52.041 0.059 1
1 539 . 8 1 1 A 43 43 ASP CB C 43 42.700 42.116 0.584 1
1 540 . 8 1 1 A 43 43 ASP N N 43 127.600 126.992 0.608 1
1 541 . 8 1 1 A 44 44 PRO HA H 44 4.320 4.422 -0.102 1
1 548 . 8 1 1 A 44 44 PRO C C 44 177.900 177.418 0.482 1
1 549 . 8 1 1 A 44 44 PRO CA C 44 64.300 64.616 -0.316 1
1 550 . 8 1 1 A 44 44 PRO CB C 44 32.300 32.118 0.182 1
1 553 . 8 1 1 A 45 45 GLU H H 45 8.320 8.512 -0.192 1
1 554 . 8 1 1 A 45 45 GLU HA H 45 4.230 4.320 -0.090 1
1 559 . 8 1 1 A 45 45 GLU C C 45 177.800 178.429 -0.629 1
1 560 . 8 1 1 A 45 45 GLU CA C 45 58.600 58.303 0.297 1
1 561 . 8 1 1 A 45 45 GLU CB C 45 30.700 30.390 0.310 1
1 563 . 8 1 1 A 45 45 GLU N N 45 116.000 117.055 -1.055 1
1 564 . 8 1 1 A 46 46 THR H H 46 7.320 8.687 -1.367 1
1 565 . 8 1 1 A 46 46 THR HA H 46 4.460 4.404 0.056 1
1 570 . 8 1 1 A 46 46 THR C C 46 176.300 176.008 0.292 1
1 571 . 8 1 1 A 46 46 THR CA C 46 61.700 62.664 -0.964 1
1 572 . 8 1 1 A 46 46 THR CB C 46 71.500 70.447 1.053 1
1 574 . 8 1 1 A 46 46 THR N N 46 105.100 108.325 -3.225 1
1 575 . 8 1 1 A 47 47 GLY H H 47 8.550 8.127 0.423 1
1 576 . 8 1 1 A 47 47 GLY HA2 H 47 3.570 3.881 -0.311 1
1 577 . 8 1 1 A 47 47 GLY HA3 H 47 4.160 3.909 0.251 1
1 578 . 8 1 1 A 47 47 GLY C C 47 173.200 174.563 -1.363 1
1 579 . 8 1 1 A 47 47 GLY CA C 47 45.700 45.263 0.437 1
1 580 . 8 1 1 A 47 47 GLY N N 47 111.500 111.306 0.194 1
1 581 . 8 1 1 A 48 48 LYS H H 48 7.700 7.412 0.288 1
1 582 . 8 1 1 A 48 48 LYS HA H 48 4.410 4.495 -0.085 1
1 591 . 8 1 1 A 48 48 LYS C C 48 176.600 175.703 0.897 1
1 592 . 8 1 1 A 48 48 LYS CA C 48 55.800 56.076 -0.276 1
1 593 . 8 1 1 A 48 48 LYS CB C 48 33.900 33.407 0.493 1
1 597 . 8 1 1 A 48 48 LYS N N 48 118.800 119.193 -0.393 1
1 598 . 8 1 1 A 49 49 TYR H H 49 8.740 9.160 -0.420 1
1 599 . 8 1 1 A 49 49 TYR HA H 49 5.670 5.561 0.109 1
1 606 . 8 1 1 A 49 49 TYR C C 49 177.400 175.888 1.512 1
1 607 . 8 1 1 A 49 49 TYR CA C 49 58.200 57.487 0.713 1
1 608 . 8 1 1 A 49 49 TYR CB C 49 40.300 39.626 0.674 1
1 613 . 8 1 1 A 49 49 TYR N N 49 121.100 122.328 -1.228 1
1 614 . 8 1 1 A 50 50 PHE H H 50 9.630 9.327 0.303 1
1 615 . 8 1 1 A 50 50 PHE HA H 50 5.150 5.768 -0.618 1
1 623 . 8 1 1 A 50 50 PHE C C 50 172.500 173.633 -1.133 1
1 624 . 8 1 1 A 50 50 PHE CA C 50 56.200 55.227 0.973 1
1 625 . 8 1 1 A 50 50 PHE CB C 50 41.400 42.861 -1.461 1
1 631 . 8 1 1 A 50 50 PHE N N 50 118.400 119.920 -1.520 1
1 632 . 8 1 1 A 51 51 ARG H H 51 8.940 8.923 0.017 1
1 633 . 8 1 1 A 51 51 ARG HA H 51 5.740 5.122 0.618 1
1 640 . 8 1 1 A 51 51 ARG C C 51 176.600 175.013 1.587 1
1 641 . 8 1 1 A 51 51 ARG CA C 51 54.900 55.609 -0.709 1
1 642 . 8 1 1 A 51 51 ARG CB C 51 32.700 31.507 1.193 1
1 645 . 8 1 1 A 51 51 ARG N N 51 120.700 119.653 1.047 1
1 646 . 8 1 1 A 52 52 HIS H H 52 9.130 9.195 -0.065 1
1 647 . 8 1 1 A 52 52 HIS HA H 52 4.730 5.398 -0.668 1
1 651 . 8 1 1 A 52 52 HIS C C 52 173.900 172.845 1.055 1
1 652 . 8 1 1 A 52 52 HIS CA C 52 56.600 55.464 1.136 1
1 653 . 8 1 1 A 52 52 HIS CB C 52 33.700 34.126 -0.426 1
1 655 . 8 1 1 A 52 52 HIS N N 52 120.400 122.538 -2.138 1
1 656 . 8 1 1 A 53 53 LYS H H 53 8.770 7.874 0.896 1
1 657 . 8 1 1 A 53 53 LYS HA H 53 4.590 4.508 0.082 1
1 666 . 8 1 1 A 53 53 LYS C C 53 176.700 176.367 0.333 1
1 667 . 8 1 1 A 53 53 LYS CA C 53 58.000 56.563 1.437 1
1 668 . 8 1 1 A 53 53 LYS CB C 53 33.300 33.162 0.138 1
1 672 . 8 1 1 A 53 53 LYS N N 53 127.500 127.137 0.363 1
1 673 . 8 1 1 A 54 54 LEU H H 54 8.690 8.896 -0.206 1
1 674 . 8 1 1 A 54 54 LEU HA H 54 4.830 4.724 0.106 1
1 684 . 8 1 1 A 54 54 LEU C C 54 173.900 174.441 -0.541 1
1 685 . 8 1 1 A 54 54 LEU CA C 54 51.700 52.450 -0.750 1
1 686 . 8 1 1 A 54 54 LEU CB C 54 41.400 41.774 -0.374 1
1 690 . 8 1 1 A 54 54 LEU N N 54 125.400 126.371 -0.971 1
1 691 . 8 1 1 A 55 55 PRO HA H 55 4.420 4.584 -0.164 1
1 698 . 8 1 1 A 55 55 PRO C C 55 177.100 177.198 -0.098 1
1 699 . 8 1 1 A 55 55 PRO CA C 55 62.900 62.820 0.080 1
1 700 . 8 1 1 A 55 55 PRO CB C 55 32.500 32.834 -0.334 1
1 703 . 8 1 1 A 56 56 ASP H H 56 8.740 8.721 0.019 1
1 704 . 8 1 1 A 56 56 ASP HA H 56 4.440 4.341 0.099 1
1 707 . 8 1 1 A 56 56 ASP C C 56 177.200 176.657 0.543 1
1 708 . 8 1 1 A 56 56 ASP CA C 56 57.500 57.143 0.357 1
1 709 . 8 1 1 A 56 56 ASP CB C 56 40.500 40.641 -0.141 1
1 710 . 8 1 1 A 56 56 ASP N N 56 120.700 122.121 -1.421 1
1 711 . 8 1 1 A 57 57 ASP H H 57 8.350 8.339 0.011 1
1 712 . 8 1 1 A 57 57 ASP HA H 57 4.620 4.672 -0.052 1
1 715 . 8 1 1 A 57 57 ASP C C 57 176.300 175.934 0.366 1
1 716 . 8 1 1 A 57 57 ASP CA C 57 52.600 53.680 -1.080 1
1 717 . 8 1 1 A 57 57 ASP CB C 57 39.500 39.727 -0.227 1
1 718 . 8 1 1 A 57 57 ASP N N 57 116.400 114.313 2.087 1
1 719 . 8 1 1 A 58 58 TYR H H 58 7.890 7.764 0.126 1
1 720 . 8 1 1 A 58 58 TYR HA H 58 4.350 4.851 -0.501 1
1 727 . 8 1 1 A 58 58 TYR C C 58 174.400 174.150 0.250 1
1 728 . 8 1 1 A 58 58 TYR CA C 58 58.400 56.635 1.765 1
1 729 . 8 1 1 A 58 58 TYR CB C 58 40.300 39.378 0.922 1
1 734 . 8 1 1 A 58 58 TYR N N 58 125.500 122.786 2.714 1
1 735 . 8 1 1 A 59 59 PRO HA H 59 4.360 4.603 -0.243 1
1 742 . 8 1 1 A 59 59 PRO C C 59 174.700 176.461 -1.761 1
1 743 . 8 1 1 A 59 59 PRO CA C 59 63.400 62.353 1.047 1
1 744 . 8 1 1 A 59 59 PRO CB C 59 31.100 31.984 -0.884 1
1 1 . 9 1 1 A 3 3 SER HA H 3 4.520 4.334 0.186 1
1 4 . 9 1 1 A 3 3 SER C C 3 174.700 175.051 -0.351 1
1 5 . 9 1 1 A 3 3 SER CA C 3 58.400 59.944 -1.544 1
1 6 . 9 1 1 A 3 3 SER CB C 3 64.000 62.693 1.307 1
1 7 . 9 1 1 A 4 4 GLY H H 4 8.350 8.655 -0.305 1
1 8 . 9 1 1 A 4 4 GLY HA2 H 4 3.910 3.976 -0.066 1
1 9 . 9 1 1 A 4 4 GLY HA3 H 4 4.050 3.978 0.072 1
1 10 . 9 1 1 A 4 4 GLY C C 4 173.800 174.340 -0.540 1
1 11 . 9 1 1 A 4 4 GLY CA C 4 45.300 45.036 0.264 1
1 12 . 9 1 1 A 4 4 GLY N N 4 110.300 113.693 -3.393 1
1 13 . 9 1 1 A 5 5 LYS H H 5 8.110 8.439 -0.329 1
1 14 . 9 1 1 A 5 5 LYS HA H 5 4.310 4.197 0.113 1
1 23 . 9 1 1 A 5 5 LYS C C 5 175.700 175.490 0.210 1
1 24 . 9 1 1 A 5 5 LYS CA C 5 56.100 58.349 -2.249 1
1 25 . 9 1 1 A 5 5 LYS CB C 5 33.200 31.078 2.122 1
1 29 . 9 1 1 A 5 5 LYS N N 5 120.500 119.799 0.701 1
1 30 . 9 1 1 A 6 6 LYS H H 6 7.980 8.430 -0.450 1
1 31 . 9 1 1 A 6 6 LYS HA H 6 4.730 5.128 -0.398 1
1 40 . 9 1 1 A 6 6 LYS C C 6 174.800 174.935 -0.135 1
1 41 . 9 1 1 A 6 6 LYS CA C 6 54.000 53.683 0.317 1
1 42 . 9 1 1 A 6 6 LYS CB C 6 33.300 34.318 -1.018 1
1 46 . 9 1 1 A 6 6 LYS N N 6 121.900 118.026 3.874 1
1 47 . 9 1 1 A 7 7 PRO HA H 7 4.610 4.984 -0.374 1
1 54 . 9 1 1 A 7 7 PRO C C 7 175.900 175.348 0.552 1
1 55 . 9 1 1 A 7 7 PRO CA C 7 62.500 62.571 -0.071 1
1 56 . 9 1 1 A 7 7 PRO CB C 7 32.600 32.960 -0.360 1
1 59 . 9 1 1 A 8 8 VAL H H 8 9.040 8.614 0.426 1
1 60 . 9 1 1 A 8 8 VAL HA H 8 4.430 4.738 -0.308 1
1 68 . 9 1 1 A 8 8 VAL C C 8 173.900 174.482 -0.582 1
1 69 . 9 1 1 A 8 8 VAL CA C 8 60.200 59.696 0.504 1
1 70 . 9 1 1 A 8 8 VAL CB C 8 35.600 35.733 -0.133 1
1 73 . 9 1 1 A 8 8 VAL N N 8 119.900 121.343 -1.443 1
1 74 . 9 1 1 A 9 9 LYS H H 9 8.390 8.272 0.118 1
1 75 . 9 1 1 A 9 9 LYS HA H 9 4.610 4.536 0.074 1
1 84 . 9 1 1 A 9 9 LYS C C 9 175.500 175.537 -0.037 1
1 85 . 9 1 1 A 9 9 LYS CA C 9 56.800 56.147 0.653 1
1 86 . 9 1 1 A 9 9 LYS CB C 9 31.700 32.877 -1.177 1
1 90 . 9 1 1 A 9 9 LYS N N 9 125.800 126.104 -0.304 1
1 91 . 9 1 1 A 10 10 VAL H H 10 8.740 8.701 0.039 1
1 92 . 9 1 1 A 10 10 VAL HA H 10 4.040 4.661 -0.621 1
1 100 . 9 1 1 A 10 10 VAL C C 10 173.600 173.962 -0.362 1
1 101 . 9 1 1 A 10 10 VAL CA C 10 58.600 59.060 -0.460 1
1 102 . 9 1 1 A 10 10 VAL CB C 10 35.200 35.298 -0.098 1
1 105 . 9 1 1 A 10 10 VAL N N 10 120.700 123.019 -2.319 1
1 106 . 9 1 1 A 11 11 LYS H H 11 7.320 8.022 -0.702 1
1 107 . 9 1 1 A 11 11 LYS HA H 11 5.000 4.840 0.160 1
1 116 . 9 1 1 A 11 11 LYS C C 11 176.600 176.988 -0.388 1
1 117 . 9 1 1 A 11 11 LYS CA C 11 54.800 55.699 -0.899 1
1 118 . 9 1 1 A 11 11 LYS CB C 11 33.700 33.682 0.018 1
1 122 . 9 1 1 A 11 11 LYS N N 11 120.600 125.617 -5.017 1
1 123 . 9 1 1 A 12 12 THR H H 12 8.950 9.252 -0.302 1
1 124 . 9 1 1 A 12 12 THR HA H 12 3.700 4.621 -0.921 1
1 129 . 9 1 1 A 12 12 THR C C 12 175.100 175.114 -0.014 1
1 130 . 9 1 1 A 12 12 THR CA C 12 59.700 60.101 -0.401 1
1 131 . 9 1 1 A 12 12 THR CB C 12 67.700 68.928 -1.228 1
1 133 . 9 1 1 A 12 12 THR N N 12 115.400 117.040 -1.640 1
1 134 . 9 1 1 A 13 13 PRO HA H 13 4.180 4.233 -0.053 1
1 141 . 9 1 1 A 13 13 PRO C C 13 177.000 177.463 -0.463 1
1 142 . 9 1 1 A 13 13 PRO CA C 13 65.000 64.170 0.830 1
1 143 . 9 1 1 A 13 13 PRO CB C 13 31.400 31.391 0.009 1
1 146 . 9 1 1 A 14 14 ALA H H 14 7.240 7.510 -0.270 1
1 147 . 9 1 1 A 14 14 ALA HA H 14 4.310 4.199 0.111 1
1 151 . 9 1 1 A 14 14 ALA C C 14 177.900 177.782 0.118 1
1 152 . 9 1 1 A 14 14 ALA CA C 14 52.200 52.399 -0.199 1
1 153 . 9 1 1 A 14 14 ALA CB C 14 19.000 19.325 -0.325 1
1 154 . 9 1 1 A 14 14 ALA N N 14 116.100 117.572 -1.472 1
1 155 . 9 1 1 A 15 15 GLY H H 15 8.310 8.245 0.065 1
1 156 . 9 1 1 A 15 15 GLY HA2 H 15 3.520 3.869 -0.349 1
1 157 . 9 1 1 A 15 15 GLY HA3 H 15 4.220 3.878 0.342 1
1 158 . 9 1 1 A 15 15 GLY C C 15 174.000 173.951 0.049 1
1 159 . 9 1 1 A 15 15 GLY CA C 15 45.300 45.576 -0.276 1
1 160 . 9 1 1 A 15 15 GLY N N 15 107.000 106.963 0.037 1
1 161 . 9 1 1 A 16 16 LYS H H 16 6.960 7.404 -0.444 1
1 162 . 9 1 1 A 16 16 LYS HA H 16 4.490 4.850 -0.360 1
1 171 . 9 1 1 A 16 16 LYS C C 16 175.400 175.331 0.069 1
1 172 . 9 1 1 A 16 16 LYS CA C 16 54.800 54.034 0.766 1
1 173 . 9 1 1 A 16 16 LYS CB C 16 33.900 35.426 -1.526 1
1 177 . 9 1 1 A 16 16 LYS N N 16 119.200 116.281 2.919 1
1 178 . 9 1 1 A 17 17 GLU H H 17 8.520 8.504 0.016 1
1 179 . 9 1 1 A 17 17 GLU HA H 17 4.990 4.892 0.098 1
1 184 . 9 1 1 A 17 17 GLU C C 17 175.800 176.066 -0.266 1
1 185 . 9 1 1 A 17 17 GLU CA C 17 55.900 55.752 0.148 1
1 186 . 9 1 1 A 17 17 GLU CB C 17 30.900 30.495 0.405 1
1 188 . 9 1 1 A 17 17 GLU N N 17 122.200 120.504 1.696 1
1 189 . 9 1 1 A 18 18 ALA H H 18 8.870 8.704 0.166 1
1 190 . 9 1 1 A 18 18 ALA HA H 18 4.620 4.730 -0.110 1
1 194 . 9 1 1 A 18 18 ALA C C 18 174.600 175.918 -1.318 1
1 195 . 9 1 1 A 18 18 ALA CA C 18 51.000 51.037 -0.037 1
1 196 . 9 1 1 A 18 18 ALA CB C 18 22.300 23.055 -0.755 1
1 197 . 9 1 1 A 18 18 ALA N N 18 127.200 124.052 3.148 1
1 198 . 9 1 1 A 19 19 GLU H H 19 8.450 8.503 -0.053 1
1 199 . 9 1 1 A 19 19 GLU HA H 19 4.830 4.954 -0.124 1
1 204 . 9 1 1 A 19 19 GLU C C 19 175.200 175.095 0.105 1
1 205 . 9 1 1 A 19 19 GLU CA C 19 55.400 55.930 -0.530 1
1 206 . 9 1 1 A 19 19 GLU CB C 19 30.100 30.272 -0.172 1
1 208 . 9 1 1 A 19 19 GLU N N 19 121.700 119.771 1.929 1
1 209 . 9 1 1 A 20 20 LEU H H 20 8.470 8.957 -0.487 1
1 210 . 9 1 1 A 20 20 LEU HA H 20 5.030 5.039 -0.009 1
1 220 . 9 1 1 A 20 20 LEU C C 20 175.600 175.574 0.026 1
1 221 . 9 1 1 A 20 20 LEU CA C 20 53.000 53.355 -0.355 1
1 222 . 9 1 1 A 20 20 LEU CB C 20 47.600 44.463 3.137 1
1 226 . 9 1 1 A 20 20 LEU N N 20 124.600 126.251 -1.651 1
1 227 . 9 1 1 A 21 21 VAL H H 21 8.880 8.889 -0.009 1
1 228 . 9 1 1 A 21 21 VAL HA H 21 4.540 4.682 -0.142 1
1 236 . 9 1 1 A 21 21 VAL C C 21 175.000 174.439 0.561 1
1 237 . 9 1 1 A 21 21 VAL CA C 21 59.400 59.908 -0.508 1
1 238 . 9 1 1 A 21 21 VAL CB C 21 33.300 33.018 0.282 1
1 241 . 9 1 1 A 21 21 VAL N N 21 123.200 125.735 -2.535 1
1 242 . 9 1 1 A 22 22 PRO HA H 22 3.520 4.392 -0.872 1
1 249 . 9 1 1 A 22 22 PRO C C 22 176.300 177.213 -0.913 1
1 250 . 9 1 1 A 22 22 PRO CA C 22 62.600 62.333 0.267 1
1 251 . 9 1 1 A 22 22 PRO CB C 22 30.800 31.704 -0.904 1
1 254 . 9 1 1 A 23 23 GLU H H 23 8.830 9.275 -0.445 1
1 255 . 9 1 1 A 23 23 GLU HA H 23 4.070 4.272 -0.202 1
1 260 . 9 1 1 A 23 23 GLU C C 23 176.700 176.581 0.119 1
1 261 . 9 1 1 A 23 23 GLU CA C 23 57.700 58.814 -1.114 1
1 262 . 9 1 1 A 23 23 GLU CB C 23 30.900 31.551 -0.651 1
1 264 . 9 1 1 A 23 23 GLU N N 23 121.200 119.948 1.252 1
1 265 . 9 1 1 A 24 24 LYS H H 24 7.120 7.821 -0.701 1
1 266 . 9 1 1 A 24 24 LYS HA H 24 4.480 5.083 -0.603 1
1 275 . 9 1 1 A 24 24 LYS C C 24 173.900 175.432 -1.532 1
1 276 . 9 1 1 A 24 24 LYS CA C 24 55.000 54.473 0.527 1
1 277 . 9 1 1 A 24 24 LYS CB C 24 36.800 35.937 0.863 1
1 281 . 9 1 1 A 24 24 LYS N N 24 114.600 118.758 -4.158 1
1 282 . 9 1 1 A 25 25 VAL H H 25 8.240 8.832 -0.592 1
1 283 . 9 1 1 A 25 25 VAL HA H 25 5.030 4.990 0.040 1
1 291 . 9 1 1 A 25 25 VAL C C 25 174.500 174.822 -0.322 1
1 292 . 9 1 1 A 25 25 VAL CA C 25 60.200 59.972 0.228 1
1 293 . 9 1 1 A 25 25 VAL CB C 25 35.400 35.476 -0.076 1
1 296 . 9 1 1 A 25 25 VAL N N 25 117.400 117.410 -0.010 1
1 297 . 9 1 1 A 26 26 TRP H H 26 9.130 8.918 0.212 1
1 298 . 9 1 1 A 26 26 TRP HA H 26 4.880 5.525 -0.645 1
1 307 . 9 1 1 A 26 26 TRP C C 26 172.600 173.561 -0.961 1
1 308 . 9 1 1 A 26 26 TRP CA C 26 57.800 55.511 2.289 1
1 309 . 9 1 1 A 26 26 TRP CB C 26 31.500 32.154 -0.654 1
1 315 . 9 1 1 A 26 26 TRP N N 26 122.500 121.227 1.273 1
1 317 . 9 1 1 A 27 27 ALA H H 27 8.640 8.921 -0.281 1
1 318 . 9 1 1 A 27 27 ALA HA H 27 5.170 5.479 -0.309 1
1 322 . 9 1 1 A 27 27 ALA C C 27 177.000 176.024 0.976 1
1 323 . 9 1 1 A 27 27 ALA CA C 27 50.500 50.673 -0.173 1
1 324 . 9 1 1 A 27 27 ALA CB C 27 21.000 22.757 -1.757 1
1 325 . 9 1 1 A 27 27 ALA N N 27 122.200 121.935 0.265 1
1 326 . 9 1 1 A 28 28 LEU H H 28 8.860 9.494 -0.634 1
1 327 . 9 1 1 A 28 28 LEU HA H 28 4.590 4.807 -0.217 1
1 337 . 9 1 1 A 28 28 LEU C C 28 176.100 175.561 0.539 1
1 338 . 9 1 1 A 28 28 LEU CA C 28 54.500 54.280 0.220 1
1 339 . 9 1 1 A 28 28 LEU CB C 28 43.100 40.962 2.138 1
1 343 . 9 1 1 A 28 28 LEU N N 28 123.300 123.479 -0.179 1
1 344 . 9 1 1 A 29 29 ALA H H 29 8.540 8.410 0.130 1
1 345 . 9 1 1 A 29 29 ALA HA H 29 4.820 4.835 -0.015 1
1 349 . 9 1 1 A 29 29 ALA C C 29 174.300 176.090 -1.790 1
1 350 . 9 1 1 A 29 29 ALA CA C 29 50.000 49.190 0.810 1
1 351 . 9 1 1 A 29 29 ALA CB C 29 19.000 20.427 -1.427 1
1 352 . 9 1 1 A 29 29 ALA N N 29 125.900 127.511 -1.611 1
1 353 . 9 1 1 A 30 30 PRO HA H 30 4.440 4.413 0.027 1
1 360 . 9 1 1 A 30 30 PRO C C 30 176.800 177.612 -0.812 1
1 361 . 9 1 1 A 30 30 PRO CA C 30 62.600 65.508 -2.908 1
1 362 . 9 1 1 A 30 30 PRO CB C 30 31.900 31.878 0.022 1
1 365 . 9 1 1 A 31 31 LYS H H 31 8.370 7.509 0.861 1
1 366 . 9 1 1 A 31 31 LYS HA H 31 4.170 4.569 -0.399 1
1 375 . 9 1 1 A 31 31 LYS C C 31 177.700 176.637 1.063 1
1 376 . 9 1 1 A 31 31 LYS CA C 31 57.300 57.215 0.085 1
1 377 . 9 1 1 A 31 31 LYS CB C 31 32.000 34.580 -2.580 1
1 381 . 9 1 1 A 31 31 LYS N N 31 121.500 116.482 5.018 1
1 382 . 9 1 1 A 32 32 GLY H H 32 8.720 7.839 0.881 1
1 383 . 9 1 1 A 32 32 GLY HA2 H 32 3.780 3.883 -0.103 1
1 384 . 9 1 1 A 32 32 GLY HA3 H 32 4.120 3.883 0.237 1
1 385 . 9 1 1 A 32 32 GLY C C 32 173.900 173.189 0.711 1
1 386 . 9 1 1 A 32 32 GLY CA C 32 45.700 46.437 -0.737 1
1 387 . 9 1 1 A 32 32 GLY N N 32 112.200 106.418 5.782 1
1 388 . 9 1 1 A 33 33 ARG H H 33 7.790 7.187 0.603 1
1 389 . 9 1 1 A 33 33 ARG HA H 33 4.590 4.825 -0.235 1
1 396 . 9 1 1 A 33 33 ARG C C 33 175.200 176.346 -1.146 1
1 397 . 9 1 1 A 33 33 ARG CA C 33 54.700 54.075 0.625 1
1 398 . 9 1 1 A 33 33 ARG CB C 33 32.300 34.000 -1.700 1
1 401 . 9 1 1 A 33 33 ARG N N 33 118.800 118.347 0.453 1
1 402 . 9 1 1 A 34 34 LYS H H 34 8.190 8.908 -0.718 1
1 403 . 9 1 1 A 34 34 LYS HA H 34 4.280 4.063 0.217 1
1 412 . 9 1 1 A 34 34 LYS C C 34 176.700 177.282 -0.582 1
1 413 . 9 1 1 A 34 34 LYS CA C 34 56.800 57.214 -0.414 1
1 414 . 9 1 1 A 34 34 LYS CB C 34 32.900 33.149 -0.249 1
1 418 . 9 1 1 A 34 34 LYS N N 34 120.600 122.479 -1.879 1
1 419 . 9 1 1 A 35 35 GLY H H 35 8.490 7.879 0.611 1
1 420 . 9 1 1 A 35 35 GLY HA2 H 35 3.900 4.071 -0.171 1
1 421 . 9 1 1 A 35 35 GLY HA3 H 35 4.260 4.072 0.188 1
1 422 . 9 1 1 A 35 35 GLY C C 35 173.200 173.106 0.094 1
1 423 . 9 1 1 A 35 35 GLY CA C 35 45.500 44.390 1.110 1
1 424 . 9 1 1 A 35 35 GLY N N 35 110.400 106.170 4.230 1
1 425 . 9 1 1 A 36 36 VAL H H 36 8.130 8.825 -0.695 1
1 426 . 9 1 1 A 36 36 VAL HA H 36 4.380 4.390 -0.010 1
1 434 . 9 1 1 A 36 36 VAL C C 36 174.100 175.039 -0.939 1
1 435 . 9 1 1 A 36 36 VAL CA C 36 61.500 62.378 -0.878 1
1 436 . 9 1 1 A 36 36 VAL CB C 36 34.700 31.545 3.155 1
1 438 . 9 1 1 A 36 36 VAL N N 36 119.000 123.449 -4.449 1
1 439 . 9 1 1 A 37 37 LYS H H 37 9.020 8.885 0.135 1
1 440 . 9 1 1 A 37 37 LYS HA H 37 5.070 4.783 0.287 1
1 449 . 9 1 1 A 37 37 LYS C C 37 174.700 175.612 -0.912 1
1 450 . 9 1 1 A 37 37 LYS CA C 37 55.400 56.222 -0.822 1
1 451 . 9 1 1 A 37 37 LYS CB C 37 35.700 33.003 2.697 1
1 455 . 9 1 1 A 37 37 LYS N N 37 125.600 127.328 -1.728 1
1 456 . 9 1 1 A 38 38 ILE H H 38 8.860 8.681 0.179 1
1 457 . 9 1 1 A 38 38 ILE HA H 38 4.390 4.753 -0.363 1
1 467 . 9 1 1 A 38 38 ILE C C 38 173.100 174.074 -0.974 1
1 468 . 9 1 1 A 38 38 ILE CA C 38 59.000 59.161 -0.161 1
1 469 . 9 1 1 A 38 38 ILE CB C 38 40.900 41.867 -0.967 1
1 473 . 9 1 1 A 38 38 ILE N N 38 123.300 123.744 -0.444 1
1 474 . 9 1 1 A 39 39 GLY H H 39 8.600 8.858 -0.258 1
1 475 . 9 1 1 A 39 39 GLY HA2 H 39 2.920 3.820 -0.900 1
1 476 . 9 1 1 A 39 39 GLY HA3 H 39 5.060 3.887 1.173 1
1 477 . 9 1 1 A 39 39 GLY C C 39 170.400 171.268 -0.868 1
1 478 . 9 1 1 A 39 39 GLY CA C 39 43.800 43.575 0.225 1
1 479 . 9 1 1 A 39 39 GLY N N 39 109.500 113.505 -4.005 1
1 480 . 9 1 1 A 40 40 LEU H H 40 8.090 8.789 -0.699 1
1 481 . 9 1 1 A 40 40 LEU HA H 40 4.870 4.953 -0.083 1
1 491 . 9 1 1 A 40 40 LEU C C 40 174.100 174.481 -0.381 1
1 492 . 9 1 1 A 40 40 LEU CA C 40 53.400 53.407 -0.007 1
1 493 . 9 1 1 A 40 40 LEU CB C 40 45.500 44.140 1.360 1
1 497 . 9 1 1 A 40 40 LEU N N 40 122.200 124.156 -1.956 1
1 498 . 9 1 1 A 41 41 PHE H H 41 9.180 9.492 -0.312 1
1 499 . 9 1 1 A 41 41 PHE HA H 41 4.620 5.108 -0.488 1
1 507 . 9 1 1 A 41 41 PHE C C 41 173.000 173.886 -0.886 1
1 508 . 9 1 1 A 41 41 PHE CA C 41 56.000 56.105 -0.105 1
1 509 . 9 1 1 A 41 41 PHE CB C 41 43.400 43.220 0.180 1
1 515 . 9 1 1 A 41 41 PHE N N 41 124.600 125.506 -0.906 1
1 516 . 9 1 1 A 42 42 LYS H H 42 8.460 8.809 -0.349 1
1 517 . 9 1 1 A 42 42 LYS HA H 42 4.320 4.921 -0.601 1
1 526 . 9 1 1 A 42 42 LYS C C 42 175.800 175.114 0.686 1
1 527 . 9 1 1 A 42 42 LYS CA C 42 54.700 54.224 0.476 1
1 528 . 9 1 1 A 42 42 LYS CB C 42 34.500 34.986 -0.486 1
1 532 . 9 1 1 A 42 42 LYS N N 42 120.800 120.665 0.135 1
1 533 . 9 1 1 A 43 43 ASP H H 43 8.970 9.062 -0.092 1
1 534 . 9 1 1 A 43 43 ASP HA H 43 4.720 4.851 -0.131 1
1 537 . 9 1 1 A 43 43 ASP C C 43 175.800 175.972 -0.172 1
1 538 . 9 1 1 A 43 43 ASP CA C 43 52.100 51.830 0.270 1
1 539 . 9 1 1 A 43 43 ASP CB C 43 42.700 42.021 0.679 1
1 540 . 9 1 1 A 43 43 ASP N N 43 127.600 127.078 0.522 1
1 541 . 9 1 1 A 44 44 PRO HA H 44 4.320 4.447 -0.127 1
1 548 . 9 1 1 A 44 44 PRO C C 44 177.900 177.747 0.153 1
1 549 . 9 1 1 A 44 44 PRO CA C 44 64.300 64.451 -0.151 1
1 550 . 9 1 1 A 44 44 PRO CB C 44 32.300 31.955 0.345 1
1 553 . 9 1 1 A 45 45 GLU H H 45 8.320 8.264 0.056 1
1 554 . 9 1 1 A 45 45 GLU HA H 45 4.230 4.235 -0.005 1
1 559 . 9 1 1 A 45 45 GLU C C 45 177.800 178.575 -0.775 1
1 560 . 9 1 1 A 45 45 GLU CA C 45 58.600 59.114 -0.514 1
1 561 . 9 1 1 A 45 45 GLU CB C 45 30.700 30.486 0.214 1
1 563 . 9 1 1 A 45 45 GLU N N 45 116.000 117.520 -1.520 1
1 564 . 9 1 1 A 46 46 THR H H 46 7.320 8.647 -1.327 1
1 565 . 9 1 1 A 46 46 THR HA H 46 4.460 4.436 0.024 1
1 570 . 9 1 1 A 46 46 THR C C 46 176.300 176.080 0.220 1
1 571 . 9 1 1 A 46 46 THR CA C 46 61.700 62.650 -0.950 1
1 572 . 9 1 1 A 46 46 THR CB C 46 71.500 70.355 1.145 1
1 574 . 9 1 1 A 46 46 THR N N 46 105.100 108.255 -3.155 1
1 575 . 9 1 1 A 47 47 GLY H H 47 8.550 8.241 0.309 1
1 576 . 9 1 1 A 47 47 GLY HA2 H 47 3.570 3.907 -0.337 1
1 577 . 9 1 1 A 47 47 GLY HA3 H 47 4.160 3.929 0.231 1
1 578 . 9 1 1 A 47 47 GLY C C 47 173.200 174.449 -1.249 1
1 579 . 9 1 1 A 47 47 GLY CA C 47 45.700 45.117 0.583 1
1 580 . 9 1 1 A 47 47 GLY N N 47 111.500 111.257 0.243 1
1 581 . 9 1 1 A 48 48 LYS H H 48 7.700 7.820 -0.120 1
1 582 . 9 1 1 A 48 48 LYS HA H 48 4.410 4.564 -0.154 1
1 591 . 9 1 1 A 48 48 LYS C C 48 176.600 175.476 1.124 1
1 592 . 9 1 1 A 48 48 LYS CA C 48 55.800 55.935 -0.135 1
1 593 . 9 1 1 A 48 48 LYS CB C 48 33.900 33.714 0.186 1
1 597 . 9 1 1 A 48 48 LYS N N 48 118.800 118.910 -0.110 1
1 598 . 9 1 1 A 49 49 TYR H H 49 8.740 9.232 -0.492 1
1 599 . 9 1 1 A 49 49 TYR HA H 49 5.670 5.784 -0.114 1
1 606 . 9 1 1 A 49 49 TYR C C 49 177.400 175.754 1.646 1
1 607 . 9 1 1 A 49 49 TYR CA C 49 58.200 56.627 1.573 1
1 608 . 9 1 1 A 49 49 TYR CB C 49 40.300 39.839 0.461 1
1 613 . 9 1 1 A 49 49 TYR N N 49 121.100 121.542 -0.442 1
1 614 . 9 1 1 A 50 50 PHE H H 50 9.630 9.325 0.305 1
1 615 . 9 1 1 A 50 50 PHE HA H 50 5.150 5.706 -0.556 1
1 623 . 9 1 1 A 50 50 PHE C C 50 172.500 173.518 -1.018 1
1 624 . 9 1 1 A 50 50 PHE CA C 50 56.200 55.240 0.960 1
1 625 . 9 1 1 A 50 50 PHE CB C 50 41.400 42.815 -1.415 1
1 631 . 9 1 1 A 50 50 PHE N N 50 118.400 119.753 -1.353 1
1 632 . 9 1 1 A 51 51 ARG H H 51 8.940 8.940 0.000 1
1 633 . 9 1 1 A 51 51 ARG HA H 51 5.740 5.185 0.555 1
1 640 . 9 1 1 A 51 51 ARG C C 51 176.600 175.022 1.578 1
1 641 . 9 1 1 A 51 51 ARG CA C 51 54.900 55.378 -0.478 1
1 642 . 9 1 1 A 51 51 ARG CB C 51 32.700 31.501 1.199 1
1 645 . 9 1 1 A 51 51 ARG N N 51 120.700 119.824 0.876 1
1 646 . 9 1 1 A 52 52 HIS H H 52 9.130 9.306 -0.176 1
1 647 . 9 1 1 A 52 52 HIS HA H 52 4.730 5.350 -0.620 1
1 651 . 9 1 1 A 52 52 HIS C C 52 173.900 173.088 0.812 1
1 652 . 9 1 1 A 52 52 HIS CA C 52 56.600 54.797 1.803 1
1 653 . 9 1 1 A 52 52 HIS CB C 52 33.700 33.711 -0.011 1
1 655 . 9 1 1 A 52 52 HIS N N 52 120.400 123.575 -3.175 1
1 656 . 9 1 1 A 53 53 LYS H H 53 8.770 8.074 0.696 1
1 657 . 9 1 1 A 53 53 LYS HA H 53 4.590 4.320 0.270 1
1 666 . 9 1 1 A 53 53 LYS C C 53 176.700 176.402 0.298 1
1 667 . 9 1 1 A 53 53 LYS CA C 53 58.000 56.590 1.410 1
1 668 . 9 1 1 A 53 53 LYS CB C 53 33.300 33.251 0.049 1
1 672 . 9 1 1 A 53 53 LYS N N 53 127.500 127.709 -0.209 1
1 673 . 9 1 1 A 54 54 LEU H H 54 8.690 9.067 -0.377 1
1 674 . 9 1 1 A 54 54 LEU HA H 54 4.830 4.746 0.084 1
1 684 . 9 1 1 A 54 54 LEU C C 54 173.900 174.414 -0.514 1
1 685 . 9 1 1 A 54 54 LEU CA C 54 51.700 52.389 -0.689 1
1 686 . 9 1 1 A 54 54 LEU CB C 54 41.400 41.871 -0.471 1
1 690 . 9 1 1 A 54 54 LEU N N 54 125.400 126.254 -0.854 1
1 691 . 9 1 1 A 55 55 PRO HA H 55 4.420 4.605 -0.185 1
1 698 . 9 1 1 A 55 55 PRO C C 55 177.100 177.610 -0.510 1
1 699 . 9 1 1 A 55 55 PRO CA C 55 62.900 62.912 -0.012 1
1 700 . 9 1 1 A 55 55 PRO CB C 55 32.500 32.752 -0.252 1
1 703 . 9 1 1 A 56 56 ASP H H 56 8.740 9.015 -0.275 1
1 704 . 9 1 1 A 56 56 ASP HA H 56 4.440 4.346 0.094 1
1 707 . 9 1 1 A 56 56 ASP C C 56 177.200 177.231 -0.031 1
1 708 . 9 1 1 A 56 56 ASP CA C 56 57.500 57.312 0.188 1
1 709 . 9 1 1 A 56 56 ASP CB C 56 40.500 41.146 -0.646 1
1 710 . 9 1 1 A 56 56 ASP N N 56 120.700 124.344 -3.644 1
1 711 . 9 1 1 A 57 57 ASP H H 57 8.350 7.738 0.612 1
1 712 . 9 1 1 A 57 57 ASP HA H 57 4.620 4.690 -0.070 1
1 715 . 9 1 1 A 57 57 ASP C C 57 176.300 175.608 0.692 1
1 716 . 9 1 1 A 57 57 ASP CA C 57 52.600 53.787 -1.187 1
1 717 . 9 1 1 A 57 57 ASP CB C 57 39.500 40.900 -1.400 1
1 718 . 9 1 1 A 57 57 ASP N N 57 116.400 117.522 -1.122 1
1 719 . 9 1 1 A 58 58 TYR H H 58 7.890 7.706 0.184 1
1 720 . 9 1 1 A 58 58 TYR HA H 58 4.350 4.669 -0.319 1
1 727 . 9 1 1 A 58 58 TYR C C 58 174.400 174.592 -0.192 1
1 728 . 9 1 1 A 58 58 TYR CA C 58 58.400 57.077 1.323 1
1 729 . 9 1 1 A 58 58 TYR CB C 58 40.300 39.586 0.714 1
1 734 . 9 1 1 A 58 58 TYR N N 58 125.500 121.891 3.609 1
1 735 . 9 1 1 A 59 59 PRO HA H 59 4.360 4.553 -0.193 1
1 742 . 9 1 1 A 59 59 PRO C C 59 174.700 176.539 -1.839 1
1 743 . 9 1 1 A 59 59 PRO CA C 59 63.400 62.238 1.162 1
1 744 . 9 1 1 A 59 59 PRO CB C 59 31.100 31.800 -0.700 1
1 1 . 10 1 1 A 3 3 SER HA H 3 4.520 4.443 0.077 1
1 4 . 10 1 1 A 3 3 SER C C 3 174.700 174.235 0.465 1
1 5 . 10 1 1 A 3 3 SER CA C 3 58.400 59.539 -1.139 1
1 6 . 10 1 1 A 3 3 SER CB C 3 64.000 64.616 -0.616 1
1 7 . 10 1 1 A 4 4 GLY H H 4 8.350 7.947 0.403 1
1 8 . 10 1 1 A 4 4 GLY HA2 H 4 3.910 4.040 -0.130 1
1 9 . 10 1 1 A 4 4 GLY HA3 H 4 4.050 4.042 0.008 1
1 10 . 10 1 1 A 4 4 GLY C C 4 173.800 173.652 0.148 1
1 11 . 10 1 1 A 4 4 GLY CA C 4 45.300 45.347 -0.047 1
1 12 . 10 1 1 A 4 4 GLY N N 4 110.300 109.749 0.551 1
1 13 . 10 1 1 A 5 5 LYS H H 5 8.110 8.784 -0.674 1
1 14 . 10 1 1 A 5 5 LYS HA H 5 4.310 4.210 0.100 1
1 23 . 10 1 1 A 5 5 LYS C C 5 175.700 174.662 1.038 1
1 24 . 10 1 1 A 5 5 LYS CA C 5 56.100 58.378 -2.278 1
1 25 . 10 1 1 A 5 5 LYS CB C 5 33.200 31.309 1.891 1
1 29 . 10 1 1 A 5 5 LYS N N 5 120.500 121.325 -0.825 1
1 30 . 10 1 1 A 6 6 LYS H H 6 7.980 8.812 -0.832 1
1 31 . 10 1 1 A 6 6 LYS HA H 6 4.730 4.956 -0.226 1
1 40 . 10 1 1 A 6 6 LYS C C 6 174.800 174.583 0.217 1
1 41 . 10 1 1 A 6 6 LYS CA C 6 54.000 52.940 1.060 1
1 42 . 10 1 1 A 6 6 LYS CB C 6 33.300 33.961 -0.661 1
1 46 . 10 1 1 A 6 6 LYS N N 6 121.900 120.585 1.315 1
1 47 . 10 1 1 A 7 7 PRO HA H 7 4.610 5.177 -0.567 1
1 54 . 10 1 1 A 7 7 PRO C C 7 175.900 175.395 0.505 1
1 55 . 10 1 1 A 7 7 PRO CA C 7 62.500 62.452 0.048 1
1 56 . 10 1 1 A 7 7 PRO CB C 7 32.600 32.739 -0.139 1
1 59 . 10 1 1 A 8 8 VAL H H 8 9.040 8.940 0.100 1
1 60 . 10 1 1 A 8 8 VAL HA H 8 4.430 4.780 -0.350 1
1 68 . 10 1 1 A 8 8 VAL C C 8 173.900 174.316 -0.416 1
1 69 . 10 1 1 A 8 8 VAL CA C 8 60.200 59.704 0.496 1
1 70 . 10 1 1 A 8 8 VAL CB C 8 35.600 36.004 -0.404 1
1 73 . 10 1 1 A 8 8 VAL N N 8 119.900 121.613 -1.713 1
1 74 . 10 1 1 A 9 9 LYS H H 9 8.390 8.358 0.032 1
1 75 . 10 1 1 A 9 9 LYS HA H 9 4.610 4.438 0.172 1
1 84 . 10 1 1 A 9 9 LYS C C 9 175.500 175.414 0.086 1
1 85 . 10 1 1 A 9 9 LYS CA C 9 56.800 56.297 0.503 1
1 86 . 10 1 1 A 9 9 LYS CB C 9 31.700 32.876 -1.176 1
1 90 . 10 1 1 A 9 9 LYS N N 9 125.800 126.154 -0.354 1
1 91 . 10 1 1 A 10 10 VAL H H 10 8.740 8.841 -0.101 1
1 92 . 10 1 1 A 10 10 VAL HA H 10 4.040 4.714 -0.674 1
1 100 . 10 1 1 A 10 10 VAL C C 10 173.600 174.291 -0.691 1
1 101 . 10 1 1 A 10 10 VAL CA C 10 58.600 59.496 -0.896 1
1 102 . 10 1 1 A 10 10 VAL CB C 10 35.200 34.836 0.364 1
1 105 . 10 1 1 A 10 10 VAL N N 10 120.700 123.206 -2.506 1
1 106 . 10 1 1 A 11 11 LYS H H 11 7.320 8.132 -0.812 1
1 107 . 10 1 1 A 11 11 LYS HA H 11 5.000 4.395 0.605 1
1 116 . 10 1 1 A 11 11 LYS C C 11 176.600 176.066 0.534 1
1 117 . 10 1 1 A 11 11 LYS CA C 11 54.800 55.770 -0.970 1
1 118 . 10 1 1 A 11 11 LYS CB C 11 33.700 32.493 1.207 1
1 122 . 10 1 1 A 11 11 LYS N N 11 120.600 124.337 -3.737 1
1 123 . 10 1 1 A 12 12 THR H H 12 8.950 9.157 -0.207 1
1 124 . 10 1 1 A 12 12 THR HA H 12 3.700 4.478 -0.778 1
1 129 . 10 1 1 A 12 12 THR C C 12 175.100 174.536 0.564 1
1 130 . 10 1 1 A 12 12 THR CA C 12 59.700 59.312 0.388 1
1 131 . 10 1 1 A 12 12 THR CB C 12 67.700 69.045 -1.345 1
1 133 . 10 1 1 A 12 12 THR N N 12 115.400 113.209 2.191 1
1 134 . 10 1 1 A 13 13 PRO HA H 13 4.180 4.095 0.085 1
1 141 . 10 1 1 A 13 13 PRO C C 13 177.000 177.570 -0.570 1
1 142 . 10 1 1 A 13 13 PRO CA C 13 65.000 64.960 0.040 1
1 143 . 10 1 1 A 13 13 PRO CB C 13 31.400 31.517 -0.117 1
1 146 . 10 1 1 A 14 14 ALA H H 14 7.240 7.594 -0.354 1
1 147 . 10 1 1 A 14 14 ALA HA H 14 4.310 4.223 0.087 1
1 151 . 10 1 1 A 14 14 ALA C C 14 177.900 177.411 0.489 1
1 152 . 10 1 1 A 14 14 ALA CA C 14 52.200 52.493 -0.293 1
1 153 . 10 1 1 A 14 14 ALA CB C 14 19.000 19.428 -0.428 1
1 154 . 10 1 1 A 14 14 ALA N N 14 116.100 118.362 -2.262 1
1 155 . 10 1 1 A 15 15 GLY H H 15 8.310 7.635 0.675 1
1 156 . 10 1 1 A 15 15 GLY HA2 H 15 3.520 3.978 -0.458 1
1 157 . 10 1 1 A 15 15 GLY HA3 H 15 4.220 3.991 0.229 1
1 158 . 10 1 1 A 15 15 GLY C C 15 174.000 174.246 -0.246 1
1 159 . 10 1 1 A 15 15 GLY CA C 15 45.300 45.040 0.260 1
1 160 . 10 1 1 A 15 15 GLY N N 15 107.000 106.452 0.548 1
1 161 . 10 1 1 A 16 16 LYS H H 16 6.960 7.661 -0.701 1
1 162 . 10 1 1 A 16 16 LYS HA H 16 4.490 4.642 -0.152 1
1 171 . 10 1 1 A 16 16 LYS C C 16 175.400 174.918 0.482 1
1 172 . 10 1 1 A 16 16 LYS CA C 16 54.800 55.491 -0.691 1
1 173 . 10 1 1 A 16 16 LYS CB C 16 33.900 33.772 0.128 1
1 177 . 10 1 1 A 16 16 LYS N N 16 119.200 117.685 1.515 1
1 178 . 10 1 1 A 17 17 GLU H H 17 8.520 8.772 -0.252 1
1 179 . 10 1 1 A 17 17 GLU HA H 17 4.990 5.128 -0.138 1
1 184 . 10 1 1 A 17 17 GLU C C 17 175.800 175.536 0.264 1
1 185 . 10 1 1 A 17 17 GLU CA C 17 55.900 54.765 1.135 1
1 186 . 10 1 1 A 17 17 GLU CB C 17 30.900 31.352 -0.452 1
1 188 . 10 1 1 A 17 17 GLU N N 17 122.200 121.712 0.488 1
1 189 . 10 1 1 A 18 18 ALA H H 18 8.870 8.779 0.091 1
1 190 . 10 1 1 A 18 18 ALA HA H 18 4.620 5.092 -0.472 1
1 194 . 10 1 1 A 18 18 ALA C C 18 174.600 176.251 -1.651 1
1 195 . 10 1 1 A 18 18 ALA CA C 18 51.000 50.031 0.969 1
1 196 . 10 1 1 A 18 18 ALA CB C 18 22.300 23.386 -1.086 1
1 197 . 10 1 1 A 18 18 ALA N N 18 127.200 128.928 -1.728 1
1 198 . 10 1 1 A 19 19 GLU H H 19 8.450 8.388 0.062 1
1 199 . 10 1 1 A 19 19 GLU HA H 19 4.830 5.083 -0.253 1
1 204 . 10 1 1 A 19 19 GLU C C 19 175.200 175.360 -0.160 1
1 205 . 10 1 1 A 19 19 GLU CA C 19 55.400 56.186 -0.786 1
1 206 . 10 1 1 A 19 19 GLU CB C 19 30.100 30.109 -0.009 1
1 208 . 10 1 1 A 19 19 GLU N N 19 121.700 119.344 2.356 1
1 209 . 10 1 1 A 20 20 LEU H H 20 8.470 9.042 -0.572 1
1 210 . 10 1 1 A 20 20 LEU HA H 20 5.030 5.154 -0.124 1
1 220 . 10 1 1 A 20 20 LEU C C 20 175.600 175.289 0.311 1
1 221 . 10 1 1 A 20 20 LEU CA C 20 53.000 53.312 -0.312 1
1 222 . 10 1 1 A 20 20 LEU CB C 20 47.600 45.293 2.307 1
1 226 . 10 1 1 A 20 20 LEU N N 20 124.600 126.339 -1.739 1
1 227 . 10 1 1 A 21 21 VAL H H 21 8.880 9.076 -0.196 1
1 228 . 10 1 1 A 21 21 VAL HA H 21 4.540 4.978 -0.438 1
1 236 . 10 1 1 A 21 21 VAL C C 21 175.000 173.962 1.038 1
1 237 . 10 1 1 A 21 21 VAL CA C 21 59.400 58.489 0.911 1
1 238 . 10 1 1 A 21 21 VAL CB C 21 33.300 34.154 -0.854 1
1 241 . 10 1 1 A 21 21 VAL N N 21 123.200 121.569 1.631 1
1 242 . 10 1 1 A 22 22 PRO HA H 22 3.520 4.436 -0.916 1
1 249 . 10 1 1 A 22 22 PRO C C 22 176.300 177.663 -1.363 1
1 250 . 10 1 1 A 22 22 PRO CA C 22 62.600 62.187 0.413 1
1 251 . 10 1 1 A 22 22 PRO CB C 22 30.800 31.302 -0.502 1
1 254 . 10 1 1 A 23 23 GLU H H 23 8.830 9.170 -0.340 1
1 255 . 10 1 1 A 23 23 GLU HA H 23 4.070 4.192 -0.122 1
1 260 . 10 1 1 A 23 23 GLU C C 23 176.700 176.402 0.298 1
1 261 . 10 1 1 A 23 23 GLU CA C 23 57.700 58.986 -1.286 1
1 262 . 10 1 1 A 23 23 GLU CB C 23 30.900 31.375 -0.475 1
1 264 . 10 1 1 A 23 23 GLU N N 23 121.200 121.186 0.014 1
1 265 . 10 1 1 A 24 24 LYS H H 24 7.120 7.605 -0.485 1
1 266 . 10 1 1 A 24 24 LYS HA H 24 4.480 5.055 -0.575 1
1 275 . 10 1 1 A 24 24 LYS C C 24 173.900 174.801 -0.901 1
1 276 . 10 1 1 A 24 24 LYS CA C 24 55.000 55.686 -0.686 1
1 277 . 10 1 1 A 24 24 LYS CB C 24 36.800 36.013 0.787 1
1 281 . 10 1 1 A 24 24 LYS N N 24 114.600 119.583 -4.983 1
1 282 . 10 1 1 A 25 25 VAL H H 25 8.240 8.869 -0.629 1
1 283 . 10 1 1 A 25 25 VAL HA H 25 5.030 5.083 -0.053 1
1 291 . 10 1 1 A 25 25 VAL C C 25 174.500 174.857 -0.357 1
1 292 . 10 1 1 A 25 25 VAL CA C 25 60.200 60.078 0.122 1
1 293 . 10 1 1 A 25 25 VAL CB C 25 35.400 34.557 0.843 1
1 296 . 10 1 1 A 25 25 VAL N N 25 117.400 120.224 -2.824 1
1 297 . 10 1 1 A 26 26 TRP H H 26 9.130 8.947 0.183 1
1 298 . 10 1 1 A 26 26 TRP HA H 26 4.880 5.475 -0.595 1
1 307 . 10 1 1 A 26 26 TRP C C 26 172.600 173.117 -0.517 1
1 308 . 10 1 1 A 26 26 TRP CA C 26 57.800 55.566 2.234 1
1 309 . 10 1 1 A 26 26 TRP CB C 26 31.500 32.322 -0.822 1
1 315 . 10 1 1 A 26 26 TRP N N 26 122.500 121.396 1.104 1
1 317 . 10 1 1 A 27 27 ALA H H 27 8.640 9.093 -0.453 1
1 318 . 10 1 1 A 27 27 ALA HA H 27 5.170 5.581 -0.411 1
1 322 . 10 1 1 A 27 27 ALA C C 27 177.000 176.007 0.993 1
1 323 . 10 1 1 A 27 27 ALA CA C 27 50.500 50.056 0.444 1
1 324 . 10 1 1 A 27 27 ALA CB C 27 21.000 22.213 -1.213 1
1 325 . 10 1 1 A 27 27 ALA N N 27 122.200 123.095 -0.895 1
1 326 . 10 1 1 A 28 28 LEU H H 28 8.860 9.632 -0.772 1
1 327 . 10 1 1 A 28 28 LEU HA H 28 4.590 4.897 -0.307 1
1 337 . 10 1 1 A 28 28 LEU C C 28 176.100 175.006 1.094 1
1 338 . 10 1 1 A 28 28 LEU CA C 28 54.500 53.672 0.828 1
1 339 . 10 1 1 A 28 28 LEU CB C 28 43.100 42.150 0.950 1
1 343 . 10 1 1 A 28 28 LEU N N 28 123.300 122.922 0.378 1
1 344 . 10 1 1 A 29 29 ALA H H 29 8.540 8.925 -0.385 1
1 345 . 10 1 1 A 29 29 ALA HA H 29 4.820 4.907 -0.087 1
1 349 . 10 1 1 A 29 29 ALA C C 29 174.300 175.691 -1.391 1
1 350 . 10 1 1 A 29 29 ALA CA C 29 50.000 49.170 0.830 1
1 351 . 10 1 1 A 29 29 ALA CB C 29 19.000 20.303 -1.303 1
1 352 . 10 1 1 A 29 29 ALA N N 29 125.900 128.534 -2.634 1
1 353 . 10 1 1 A 30 30 PRO HA H 30 4.440 4.632 -0.192 1
1 360 . 10 1 1 A 30 30 PRO C C 30 176.800 175.971 0.829 1
1 361 . 10 1 1 A 30 30 PRO CA C 30 62.600 62.356 0.244 1
1 362 . 10 1 1 A 30 30 PRO CB C 30 31.900 32.403 -0.503 1
1 365 . 10 1 1 A 31 31 LYS H H 31 8.370 8.540 -0.170 1
1 366 . 10 1 1 A 31 31 LYS HA H 31 4.170 3.927 0.243 1
1 375 . 10 1 1 A 31 31 LYS C C 31 177.700 177.478 0.222 1
1 376 . 10 1 1 A 31 31 LYS CA C 31 57.300 58.184 -0.884 1
1 377 . 10 1 1 A 31 31 LYS CB C 31 32.000 31.882 0.118 1
1 381 . 10 1 1 A 31 31 LYS N N 31 121.500 121.889 -0.389 1
1 382 . 10 1 1 A 32 32 GLY H H 32 8.720 8.862 -0.142 1
1 383 . 10 1 1 A 32 32 GLY HA2 H 32 3.780 4.002 -0.222 1
1 384 . 10 1 1 A 32 32 GLY HA3 H 32 4.120 4.002 0.118 1
1 385 . 10 1 1 A 32 32 GLY C C 32 173.900 173.638 0.262 1
1 386 . 10 1 1 A 32 32 GLY CA C 32 45.700 45.029 0.671 1
1 387 . 10 1 1 A 32 32 GLY N N 32 112.200 112.259 -0.059 1
1 388 . 10 1 1 A 33 33 ARG H H 33 7.790 7.576 0.214 1
1 389 . 10 1 1 A 33 33 ARG HA H 33 4.590 4.787 -0.197 1
1 396 . 10 1 1 A 33 33 ARG C C 33 175.200 177.066 -1.866 1
1 397 . 10 1 1 A 33 33 ARG CA C 33 54.700 54.190 0.510 1
1 398 . 10 1 1 A 33 33 ARG CB C 33 32.300 32.876 -0.576 1
1 401 . 10 1 1 A 33 33 ARG N N 33 118.800 120.210 -1.410 1
1 402 . 10 1 1 A 34 34 LYS H H 34 8.190 8.574 -0.384 1
1 403 . 10 1 1 A 34 34 LYS HA H 34 4.280 4.253 0.027 1
1 412 . 10 1 1 A 34 34 LYS C C 34 176.700 176.160 0.540 1
1 413 . 10 1 1 A 34 34 LYS CA C 34 56.800 56.527 0.273 1
1 414 . 10 1 1 A 34 34 LYS CB C 34 32.900 32.908 -0.008 1
1 418 . 10 1 1 A 34 34 LYS N N 34 120.600 120.050 0.550 1
1 419 . 10 1 1 A 35 35 GLY H H 35 8.490 7.685 0.805 1
1 420 . 10 1 1 A 35 35 GLY HA2 H 35 3.900 4.066 -0.166 1
1 421 . 10 1 1 A 35 35 GLY HA3 H 35 4.260 4.066 0.194 1
1 422 . 10 1 1 A 35 35 GLY C C 35 173.200 172.680 0.520 1
1 423 . 10 1 1 A 35 35 GLY CA C 35 45.500 44.197 1.303 1
1 424 . 10 1 1 A 35 35 GLY N N 35 110.400 107.515 2.885 1
1 425 . 10 1 1 A 36 36 VAL H H 36 8.130 8.511 -0.381 1
1 426 . 10 1 1 A 36 36 VAL HA H 36 4.380 4.995 -0.615 1
1 434 . 10 1 1 A 36 36 VAL C C 36 174.100 173.928 0.172 1
1 435 . 10 1 1 A 36 36 VAL CA C 36 61.500 58.987 2.513 1
1 436 . 10 1 1 A 36 36 VAL CB C 36 34.700 35.568 -0.868 1
1 438 . 10 1 1 A 36 36 VAL N N 36 119.000 115.307 3.693 1
1 439 . 10 1 1 A 37 37 LYS H H 37 9.020 8.736 0.284 1
1 440 . 10 1 1 A 37 37 LYS HA H 37 5.070 5.036 0.034 1
1 449 . 10 1 1 A 37 37 LYS C C 37 174.700 175.312 -0.612 1
1 450 . 10 1 1 A 37 37 LYS CA C 37 55.400 54.694 0.706 1
1 451 . 10 1 1 A 37 37 LYS CB C 37 35.700 35.346 0.354 1
1 455 . 10 1 1 A 37 37 LYS N N 37 125.600 121.883 3.717 1
1 456 . 10 1 1 A 38 38 ILE H H 38 8.860 8.940 -0.080 1
1 457 . 10 1 1 A 38 38 ILE HA H 38 4.390 4.771 -0.381 1
1 467 . 10 1 1 A 38 38 ILE C C 38 173.100 174.112 -1.012 1
1 468 . 10 1 1 A 38 38 ILE CA C 38 59.000 59.324 -0.324 1
1 469 . 10 1 1 A 38 38 ILE CB C 38 40.900 41.509 -0.609 1
1 473 . 10 1 1 A 38 38 ILE N N 38 123.300 123.480 -0.180 1
1 474 . 10 1 1 A 39 39 GLY H H 39 8.600 8.814 -0.214 1
1 475 . 10 1 1 A 39 39 GLY HA2 H 39 2.920 3.846 -0.926 1
1 476 . 10 1 1 A 39 39 GLY HA3 H 39 5.060 3.890 1.170 1
1 477 . 10 1 1 A 39 39 GLY C C 39 170.400 171.395 -0.995 1
1 478 . 10 1 1 A 39 39 GLY CA C 39 43.800 43.588 0.212 1
1 479 . 10 1 1 A 39 39 GLY N N 39 109.500 113.871 -4.371 1
1 480 . 10 1 1 A 40 40 LEU H H 40 8.090 8.715 -0.625 1
1 481 . 10 1 1 A 40 40 LEU HA H 40 4.870 4.861 0.009 1
1 491 . 10 1 1 A 40 40 LEU C C 40 174.100 174.708 -0.608 1
1 492 . 10 1 1 A 40 40 LEU CA C 40 53.400 53.606 -0.206 1
1 493 . 10 1 1 A 40 40 LEU CB C 40 45.500 43.937 1.563 1
1 497 . 10 1 1 A 40 40 LEU N N 40 122.200 124.262 -2.062 1
1 498 . 10 1 1 A 41 41 PHE H H 41 9.180 9.615 -0.435 1
1 499 . 10 1 1 A 41 41 PHE HA H 41 4.620 5.089 -0.469 1
1 507 . 10 1 1 A 41 41 PHE C C 41 173.000 173.786 -0.786 1
1 508 . 10 1 1 A 41 41 PHE CA C 41 56.000 55.982 0.018 1
1 509 . 10 1 1 A 41 41 PHE CB C 41 43.400 43.085 0.315 1
1 515 . 10 1 1 A 41 41 PHE N N 41 124.600 125.462 -0.862 1
1 516 . 10 1 1 A 42 42 LYS H H 42 8.460 8.769 -0.309 1
1 517 . 10 1 1 A 42 42 LYS HA H 42 4.320 5.004 -0.684 1
1 526 . 10 1 1 A 42 42 LYS C C 42 175.800 174.788 1.012 1
1 527 . 10 1 1 A 42 42 LYS CA C 42 54.700 54.465 0.235 1
1 528 . 10 1 1 A 42 42 LYS CB C 42 34.500 35.993 -1.493 1
1 532 . 10 1 1 A 42 42 LYS N N 42 120.800 120.382 0.418 1
1 533 . 10 1 1 A 43 43 ASP H H 43 8.970 9.379 -0.409 1
1 534 . 10 1 1 A 43 43 ASP HA H 43 4.720 4.881 -0.161 1
1 537 . 10 1 1 A 43 43 ASP C C 43 175.800 175.743 0.057 1
1 538 . 10 1 1 A 43 43 ASP CA C 43 52.100 51.629 0.471 1
1 539 . 10 1 1 A 43 43 ASP CB C 43 42.700 41.964 0.736 1
1 540 . 10 1 1 A 43 43 ASP N N 43 127.600 126.558 1.042 1
1 541 . 10 1 1 A 44 44 PRO HA H 44 4.320 4.534 -0.214 1
1 548 . 10 1 1 A 44 44 PRO C C 44 177.900 177.830 0.070 1
1 549 . 10 1 1 A 44 44 PRO CA C 44 64.300 64.042 0.258 1
1 550 . 10 1 1 A 44 44 PRO CB C 44 32.300 31.738 0.562 1
1 553 . 10 1 1 A 45 45 GLU H H 45 8.320 8.331 -0.011 1
1 554 . 10 1 1 A 45 45 GLU HA H 45 4.230 4.222 0.008 1
1 559 . 10 1 1 A 45 45 GLU C C 45 177.800 177.922 -0.122 1
1 560 . 10 1 1 A 45 45 GLU CA C 45 58.600 58.918 -0.318 1
1 561 . 10 1 1 A 45 45 GLU CB C 45 30.700 30.130 0.570 1
1 563 . 10 1 1 A 45 45 GLU N N 45 116.000 117.959 -1.959 1
1 564 . 10 1 1 A 46 46 THR H H 46 7.320 8.756 -1.436 1
1 565 . 10 1 1 A 46 46 THR HA H 46 4.460 4.422 0.038 1
1 570 . 10 1 1 A 46 46 THR C C 46 176.300 176.028 0.272 1
1 571 . 10 1 1 A 46 46 THR CA C 46 61.700 62.496 -0.796 1
1 572 . 10 1 1 A 46 46 THR CB C 46 71.500 70.718 0.782 1
1 574 . 10 1 1 A 46 46 THR N N 46 105.100 107.900 -2.800 1
1 575 . 10 1 1 A 47 47 GLY H H 47 8.550 8.589 -0.039 1
1 576 . 10 1 1 A 47 47 GLY HA2 H 47 3.570 3.921 -0.351 1
1 577 . 10 1 1 A 47 47 GLY HA3 H 47 4.160 3.944 0.216 1
1 578 . 10 1 1 A 47 47 GLY C C 47 173.200 173.789 -0.589 1
1 579 . 10 1 1 A 47 47 GLY CA C 47 45.700 46.028 -0.328 1
1 580 . 10 1 1 A 47 47 GLY N N 47 111.500 112.504 -1.004 1
1 581 . 10 1 1 A 48 48 LYS H H 48 7.700 7.727 -0.027 1
1 582 . 10 1 1 A 48 48 LYS HA H 48 4.410 5.104 -0.694 1
1 591 . 10 1 1 A 48 48 LYS C C 48 176.600 174.697 1.903 1
1 592 . 10 1 1 A 48 48 LYS CA C 48 55.800 54.357 1.443 1
1 593 . 10 1 1 A 48 48 LYS CB C 48 33.900 35.657 -1.757 1
1 597 . 10 1 1 A 48 48 LYS N N 48 118.800 115.861 2.939 1
1 598 . 10 1 1 A 49 49 TYR H H 49 8.740 8.925 -0.185 1
1 599 . 10 1 1 A 49 49 TYR HA H 49 5.670 5.220 0.450 1
1 606 . 10 1 1 A 49 49 TYR C C 49 177.400 175.911 1.489 1
1 607 . 10 1 1 A 49 49 TYR CA C 49 58.200 58.686 -0.486 1
1 608 . 10 1 1 A 49 49 TYR CB C 49 40.300 40.040 0.260 1
1 613 . 10 1 1 A 49 49 TYR N N 49 121.100 121.904 -0.804 1
1 614 . 10 1 1 A 50 50 PHE H H 50 9.630 9.402 0.228 1
1 615 . 10 1 1 A 50 50 PHE HA H 50 5.150 5.511 -0.361 1
1 623 . 10 1 1 A 50 50 PHE C C 50 172.500 173.391 -0.891 1
1 624 . 10 1 1 A 50 50 PHE CA C 50 56.200 55.496 0.704 1
1 625 . 10 1 1 A 50 50 PHE CB C 50 41.400 42.564 -1.164 1
1 631 . 10 1 1 A 50 50 PHE N N 50 118.400 119.053 -0.653 1
1 632 . 10 1 1 A 51 51 ARG H H 51 8.940 8.886 0.054 1
1 633 . 10 1 1 A 51 51 ARG HA H 51 5.740 5.228 0.512 1
1 640 . 10 1 1 A 51 51 ARG C C 51 176.600 175.220 1.380 1
1 641 . 10 1 1 A 51 51 ARG CA C 51 54.900 55.616 -0.716 1
1 642 . 10 1 1 A 51 51 ARG CB C 51 32.700 31.818 0.882 1
1 645 . 10 1 1 A 51 51 ARG N N 51 120.700 119.609 1.091 1
1 646 . 10 1 1 A 52 52 HIS H H 52 9.130 9.131 -0.001 1
1 647 . 10 1 1 A 52 52 HIS HA H 52 4.730 5.332 -0.602 1
1 651 . 10 1 1 A 52 52 HIS C C 52 173.900 173.478 0.422 1
1 652 . 10 1 1 A 52 52 HIS CA C 52 56.600 55.712 0.888 1
1 653 . 10 1 1 A 52 52 HIS CB C 52 33.700 33.786 -0.086 1
1 655 . 10 1 1 A 52 52 HIS N N 52 120.400 121.984 -1.584 1
1 656 . 10 1 1 A 53 53 LYS H H 53 8.770 7.859 0.911 1
1 657 . 10 1 1 A 53 53 LYS HA H 53 4.590 4.306 0.284 1
1 666 . 10 1 1 A 53 53 LYS C C 53 176.700 175.906 0.794 1
1 667 . 10 1 1 A 53 53 LYS CA C 53 58.000 56.235 1.765 1
1 668 . 10 1 1 A 53 53 LYS CB C 53 33.300 32.582 0.718 1
1 672 . 10 1 1 A 53 53 LYS N N 53 127.500 120.195 7.305 1
1 673 . 10 1 1 A 54 54 LEU H H 54 8.690 9.055 -0.365 1
1 674 . 10 1 1 A 54 54 LEU HA H 54 4.830 4.722 0.108 1
1 684 . 10 1 1 A 54 54 LEU C C 54 173.900 174.454 -0.554 1
1 685 . 10 1 1 A 54 54 LEU CA C 54 51.700 52.424 -0.724 1
1 686 . 10 1 1 A 54 54 LEU CB C 54 41.400 41.791 -0.391 1
1 690 . 10 1 1 A 54 54 LEU N N 54 125.400 124.490 0.910 1
1 691 . 10 1 1 A 55 55 PRO HA H 55 4.420 4.582 -0.162 1
1 698 . 10 1 1 A 55 55 PRO C C 55 177.100 177.103 -0.003 1
1 699 . 10 1 1 A 55 55 PRO CA C 55 62.900 62.820 0.080 1
1 700 . 10 1 1 A 55 55 PRO CB C 55 32.500 32.856 -0.356 1
1 703 . 10 1 1 A 56 56 ASP H H 56 8.740 8.706 0.034 1
1 704 . 10 1 1 A 56 56 ASP HA H 56 4.440 4.346 0.094 1
1 707 . 10 1 1 A 56 56 ASP C C 56 177.200 177.425 -0.225 1
1 708 . 10 1 1 A 56 56 ASP CA C 56 57.500 57.353 0.147 1
1 709 . 10 1 1 A 56 56 ASP CB C 56 40.500 40.686 -0.186 1
1 710 . 10 1 1 A 56 56 ASP N N 56 120.700 122.047 -1.347 1
1 711 . 10 1 1 A 57 57 ASP H H 57 8.350 7.720 0.630 1
1 712 . 10 1 1 A 57 57 ASP HA H 57 4.620 4.662 -0.042 1
1 715 . 10 1 1 A 57 57 ASP C C 57 176.300 175.705 0.595 1
1 716 . 10 1 1 A 57 57 ASP CA C 57 52.600 54.222 -1.622 1
1 717 . 10 1 1 A 57 57 ASP CB C 57 39.500 40.901 -1.401 1
1 718 . 10 1 1 A 57 57 ASP N N 57 116.400 117.378 -0.978 1
1 719 . 10 1 1 A 58 58 TYR H H 58 7.890 7.673 0.217 1
1 720 . 10 1 1 A 58 58 TYR HA H 58 4.350 4.823 -0.473 1
1 727 . 10 1 1 A 58 58 TYR C C 58 174.400 174.385 0.015 1
1 728 . 10 1 1 A 58 58 TYR CA C 58 58.400 56.748 1.652 1
1 729 . 10 1 1 A 58 58 TYR CB C 58 40.300 39.703 0.597 1
1 734 . 10 1 1 A 58 58 TYR N N 58 125.500 121.818 3.682 1
1 735 . 10 1 1 A 59 59 PRO HA H 59 4.360 4.696 -0.336 1
1 742 . 10 1 1 A 59 59 PRO C C 59 174.700 176.454 -1.754 1
1 743 . 10 1 1 A 59 59 PRO CA C 59 63.400 62.225 1.175 1
1 744 . 10 1 1 A 59 59 PRO CB C 59 31.100 30.781 0.319 1
1 1 . 11 1 1 A 3 3 SER HA H 3 4.520 4.801 -0.281 1
1 4 . 11 1 1 A 3 3 SER C C 3 174.700 173.823 0.877 1
1 5 . 11 1 1 A 3 3 SER CA C 3 58.400 57.054 1.346 1
1 6 . 11 1 1 A 3 3 SER CB C 3 64.000 64.085 -0.085 1
1 7 . 11 1 1 A 4 4 GLY H H 4 8.350 8.843 -0.493 1
1 8 . 11 1 1 A 4 4 GLY HA2 H 4 3.910 3.874 0.036 1
1 9 . 11 1 1 A 4 4 GLY HA3 H 4 4.050 3.874 0.176 1
1 10 . 11 1 1 A 4 4 GLY C C 4 173.800 173.426 0.374 1
1 11 . 11 1 1 A 4 4 GLY CA C 4 45.300 46.728 -1.428 1
1 12 . 11 1 1 A 4 4 GLY N N 4 110.300 111.861 -1.561 1
1 13 . 11 1 1 A 5 5 LYS H H 5 8.110 7.553 0.557 1
1 14 . 11 1 1 A 5 5 LYS HA H 5 4.310 4.930 -0.620 1
1 23 . 11 1 1 A 5 5 LYS C C 5 175.700 174.648 1.052 1
1 24 . 11 1 1 A 5 5 LYS CA C 5 56.100 54.363 1.737 1
1 25 . 11 1 1 A 5 5 LYS CB C 5 33.200 36.835 -3.635 1
1 29 . 11 1 1 A 5 5 LYS N N 5 120.500 118.061 2.439 1
1 30 . 11 1 1 A 6 6 LYS H H 6 7.980 8.795 -0.815 1
1 31 . 11 1 1 A 6 6 LYS HA H 6 4.730 4.813 -0.083 1
1 40 . 11 1 1 A 6 6 LYS C C 6 174.800 174.206 0.594 1
1 41 . 11 1 1 A 6 6 LYS CA C 6 54.000 53.290 0.710 1
1 42 . 11 1 1 A 6 6 LYS CB C 6 33.300 36.543 -3.243 1
1 46 . 11 1 1 A 6 6 LYS N N 6 121.900 121.511 0.389 1
1 47 . 11 1 1 A 7 7 PRO HA H 7 4.610 5.171 -0.561 1
1 54 . 11 1 1 A 7 7 PRO C C 7 175.900 175.361 0.539 1
1 55 . 11 1 1 A 7 7 PRO CA C 7 62.500 62.402 0.098 1
1 56 . 11 1 1 A 7 7 PRO CB C 7 32.600 32.511 0.089 1
1 59 . 11 1 1 A 8 8 VAL H H 8 9.040 8.701 0.339 1
1 60 . 11 1 1 A 8 8 VAL HA H 8 4.430 4.741 -0.311 1
1 68 . 11 1 1 A 8 8 VAL C C 8 173.900 174.642 -0.742 1
1 69 . 11 1 1 A 8 8 VAL CA C 8 60.200 59.470 0.730 1
1 70 . 11 1 1 A 8 8 VAL CB C 8 35.600 35.135 0.465 1
1 73 . 11 1 1 A 8 8 VAL N N 8 119.900 122.237 -2.337 1
1 74 . 11 1 1 A 9 9 LYS H H 9 8.390 8.407 -0.017 1
1 75 . 11 1 1 A 9 9 LYS HA H 9 4.610 4.639 -0.029 1
1 84 . 11 1 1 A 9 9 LYS C C 9 175.500 175.443 0.057 1
1 85 . 11 1 1 A 9 9 LYS CA C 9 56.800 56.075 0.725 1
1 86 . 11 1 1 A 9 9 LYS CB C 9 31.700 33.008 -1.308 1
1 90 . 11 1 1 A 9 9 LYS N N 9 125.800 126.322 -0.522 1
1 91 . 11 1 1 A 10 10 VAL H H 10 8.740 8.964 -0.224 1
1 92 . 11 1 1 A 10 10 VAL HA H 10 4.040 4.664 -0.624 1
1 100 . 11 1 1 A 10 10 VAL C C 10 173.600 174.121 -0.521 1
1 101 . 11 1 1 A 10 10 VAL CA C 10 58.600 59.258 -0.658 1
1 102 . 11 1 1 A 10 10 VAL CB C 10 35.200 35.106 0.094 1
1 105 . 11 1 1 A 10 10 VAL N N 10 120.700 123.235 -2.535 1
1 106 . 11 1 1 A 11 11 LYS H H 11 7.320 8.123 -0.803 1
1 107 . 11 1 1 A 11 11 LYS HA H 11 5.000 4.686 0.314 1
1 116 . 11 1 1 A 11 11 LYS C C 11 176.600 176.843 -0.243 1
1 117 . 11 1 1 A 11 11 LYS CA C 11 54.800 55.743 -0.943 1
1 118 . 11 1 1 A 11 11 LYS CB C 11 33.700 32.944 0.756 1
1 122 . 11 1 1 A 11 11 LYS N N 11 120.600 126.375 -5.775 1
1 123 . 11 1 1 A 12 12 THR H H 12 8.950 9.096 -0.146 1
1 124 . 11 1 1 A 12 12 THR HA H 12 3.700 4.485 -0.785 1
1 129 . 11 1 1 A 12 12 THR C C 12 175.100 174.949 0.151 1
1 130 . 11 1 1 A 12 12 THR CA C 12 59.700 59.886 -0.186 1
1 131 . 11 1 1 A 12 12 THR CB C 12 67.700 68.744 -1.044 1
1 133 . 11 1 1 A 12 12 THR N N 12 115.400 117.847 -2.447 1
1 134 . 11 1 1 A 13 13 PRO HA H 13 4.180 4.275 -0.095 1
1 141 . 11 1 1 A 13 13 PRO C C 13 177.000 177.413 -0.413 1
1 142 . 11 1 1 A 13 13 PRO CA C 13 65.000 64.280 0.720 1
1 143 . 11 1 1 A 13 13 PRO CB C 13 31.400 31.438 -0.038 1
1 146 . 11 1 1 A 14 14 ALA H H 14 7.240 7.483 -0.243 1
1 147 . 11 1 1 A 14 14 ALA HA H 14 4.310 4.184 0.126 1
1 151 . 11 1 1 A 14 14 ALA C C 14 177.900 177.736 0.164 1
1 152 . 11 1 1 A 14 14 ALA CA C 14 52.200 52.337 -0.137 1
1 153 . 11 1 1 A 14 14 ALA CB C 14 19.000 19.244 -0.244 1
1 154 . 11 1 1 A 14 14 ALA N N 14 116.100 117.504 -1.404 1
1 155 . 11 1 1 A 15 15 GLY H H 15 8.310 8.892 -0.582 1
1 156 . 11 1 1 A 15 15 GLY HA2 H 15 3.520 3.863 -0.343 1
1 157 . 11 1 1 A 15 15 GLY HA3 H 15 4.220 3.875 0.345 1
1 158 . 11 1 1 A 15 15 GLY C C 15 174.000 173.544 0.456 1
1 159 . 11 1 1 A 15 15 GLY CA C 15 45.300 45.591 -0.291 1
1 160 . 11 1 1 A 15 15 GLY N N 15 107.000 107.349 -0.349 1
1 161 . 11 1 1 A 16 16 LYS H H 16 6.960 7.036 -0.076 1
1 162 . 11 1 1 A 16 16 LYS HA H 16 4.490 4.896 -0.406 1
1 171 . 11 1 1 A 16 16 LYS C C 16 175.400 174.496 0.904 1
1 172 . 11 1 1 A 16 16 LYS CA C 16 54.800 54.273 0.527 1
1 173 . 11 1 1 A 16 16 LYS CB C 16 33.900 35.854 -1.954 1
1 177 . 11 1 1 A 16 16 LYS N N 16 119.200 115.351 3.849 1
1 178 . 11 1 1 A 17 17 GLU H H 17 8.520 8.652 -0.132 1
1 179 . 11 1 1 A 17 17 GLU HA H 17 4.990 4.714 0.276 1
1 184 . 11 1 1 A 17 17 GLU C C 17 175.800 175.316 0.484 1
1 185 . 11 1 1 A 17 17 GLU CA C 17 55.900 55.445 0.455 1
1 186 . 11 1 1 A 17 17 GLU CB C 17 30.900 30.076 0.824 1
1 188 . 11 1 1 A 17 17 GLU N N 17 122.200 123.283 -1.083 1
1 189 . 11 1 1 A 18 18 ALA H H 18 8.870 8.631 0.239 1
1 190 . 11 1 1 A 18 18 ALA HA H 18 4.620 5.019 -0.399 1
1 194 . 11 1 1 A 18 18 ALA C C 18 174.600 176.714 -2.114 1
1 195 . 11 1 1 A 18 18 ALA CA C 18 51.000 50.499 0.501 1
1 196 . 11 1 1 A 18 18 ALA CB C 18 22.300 21.952 0.348 1
1 197 . 11 1 1 A 18 18 ALA N N 18 127.200 128.826 -1.626 1
1 198 . 11 1 1 A 19 19 GLU H H 19 8.450 8.610 -0.160 1
1 199 . 11 1 1 A 19 19 GLU HA H 19 4.830 5.054 -0.224 1
1 204 . 11 1 1 A 19 19 GLU C C 19 175.200 175.175 0.025 1
1 205 . 11 1 1 A 19 19 GLU CA C 19 55.400 55.885 -0.485 1
1 206 . 11 1 1 A 19 19 GLU CB C 19 30.100 30.249 -0.149 1
1 208 . 11 1 1 A 19 19 GLU N N 19 121.700 120.113 1.587 1
1 209 . 11 1 1 A 20 20 LEU H H 20 8.470 8.883 -0.413 1
1 210 . 11 1 1 A 20 20 LEU HA H 20 5.030 5.108 -0.078 1
1 220 . 11 1 1 A 20 20 LEU C C 20 175.600 175.322 0.278 1
1 221 . 11 1 1 A 20 20 LEU CA C 20 53.000 53.569 -0.569 1
1 222 . 11 1 1 A 20 20 LEU CB C 20 47.600 44.972 2.628 1
1 226 . 11 1 1 A 20 20 LEU N N 20 124.600 126.149 -1.549 1
1 227 . 11 1 1 A 21 21 VAL H H 21 8.880 9.056 -0.176 1
1 228 . 11 1 1 A 21 21 VAL HA H 21 4.540 4.772 -0.232 1
1 236 . 11 1 1 A 21 21 VAL C C 21 175.000 174.249 0.751 1
1 237 . 11 1 1 A 21 21 VAL CA C 21 59.400 59.786 -0.386 1
1 238 . 11 1 1 A 21 21 VAL CB C 21 33.300 33.520 -0.220 1
1 241 . 11 1 1 A 21 21 VAL N N 21 123.200 125.592 -2.392 1
1 242 . 11 1 1 A 22 22 PRO HA H 22 3.520 4.417 -0.897 1
1 249 . 11 1 1 A 22 22 PRO C C 22 176.300 177.495 -1.195 1
1 250 . 11 1 1 A 22 22 PRO CA C 22 62.600 62.534 0.066 1
1 251 . 11 1 1 A 22 22 PRO CB C 22 30.800 31.987 -1.187 1
1 254 . 11 1 1 A 23 23 GLU H H 23 8.830 9.504 -0.674 1
1 255 . 11 1 1 A 23 23 GLU HA H 23 4.070 4.260 -0.190 1
1 260 . 11 1 1 A 23 23 GLU C C 23 176.700 176.315 0.385 1
1 261 . 11 1 1 A 23 23 GLU CA C 23 57.700 59.541 -1.841 1
1 262 . 11 1 1 A 23 23 GLU CB C 23 30.900 31.211 -0.311 1
1 264 . 11 1 1 A 23 23 GLU N N 23 121.200 120.396 0.804 1
1 265 . 11 1 1 A 24 24 LYS H H 24 7.120 7.611 -0.491 1
1 266 . 11 1 1 A 24 24 LYS HA H 24 4.480 4.984 -0.504 1
1 275 . 11 1 1 A 24 24 LYS C C 24 173.900 174.664 -0.764 1
1 276 . 11 1 1 A 24 24 LYS CA C 24 55.000 55.683 -0.683 1
1 277 . 11 1 1 A 24 24 LYS CB C 24 36.800 35.816 0.984 1
1 281 . 11 1 1 A 24 24 LYS N N 24 114.600 119.120 -4.520 1
1 282 . 11 1 1 A 25 25 VAL H H 25 8.240 8.806 -0.566 1
1 283 . 11 1 1 A 25 25 VAL HA H 25 5.030 5.013 0.017 1
1 291 . 11 1 1 A 25 25 VAL C C 25 174.500 174.793 -0.293 1
1 292 . 11 1 1 A 25 25 VAL CA C 25 60.200 59.813 0.387 1
1 293 . 11 1 1 A 25 25 VAL CB C 25 35.400 35.553 -0.153 1
1 296 . 11 1 1 A 25 25 VAL N N 25 117.400 119.508 -2.108 1
1 297 . 11 1 1 A 26 26 TRP H H 26 9.130 8.834 0.296 1
1 298 . 11 1 1 A 26 26 TRP HA H 26 4.880 5.354 -0.474 1
1 307 . 11 1 1 A 26 26 TRP C C 26 172.600 173.368 -0.768 1
1 308 . 11 1 1 A 26 26 TRP CA C 26 57.800 55.699 2.101 1
1 309 . 11 1 1 A 26 26 TRP CB C 26 31.500 32.012 -0.512 1
1 315 . 11 1 1 A 26 26 TRP N N 26 122.500 120.578 1.922 1
1 317 . 11 1 1 A 27 27 ALA H H 27 8.640 8.996 -0.356 1
1 318 . 11 1 1 A 27 27 ALA HA H 27 5.170 5.433 -0.263 1
1 322 . 11 1 1 A 27 27 ALA C C 27 177.000 175.887 1.113 1
1 323 . 11 1 1 A 27 27 ALA CA C 27 50.500 50.270 0.230 1
1 324 . 11 1 1 A 27 27 ALA CB C 27 21.000 21.775 -0.775 1
1 325 . 11 1 1 A 27 27 ALA N N 27 122.200 122.805 -0.605 1
1 326 . 11 1 1 A 28 28 LEU H H 28 8.860 9.815 -0.955 1
1 327 . 11 1 1 A 28 28 LEU HA H 28 4.590 4.776 -0.186 1
1 337 . 11 1 1 A 28 28 LEU C C 28 176.100 175.396 0.704 1
1 338 . 11 1 1 A 28 28 LEU CA C 28 54.500 54.318 0.182 1
1 339 . 11 1 1 A 28 28 LEU CB C 28 43.100 40.654 2.446 1
1 343 . 11 1 1 A 28 28 LEU N N 28 123.300 124.764 -1.464 1
1 344 . 11 1 1 A 29 29 ALA H H 29 8.540 7.853 0.687 1
1 345 . 11 1 1 A 29 29 ALA HA H 29 4.820 4.810 0.010 1
1 349 . 11 1 1 A 29 29 ALA C C 29 174.300 176.031 -1.731 1
1 350 . 11 1 1 A 29 29 ALA CA C 29 50.000 49.534 0.466 1
1 351 . 11 1 1 A 29 29 ALA CB C 29 19.000 20.124 -1.124 1
1 352 . 11 1 1 A 29 29 ALA N N 29 125.900 127.580 -1.680 1
1 353 . 11 1 1 A 30 30 PRO HA H 30 4.440 4.490 -0.050 1
1 360 . 11 1 1 A 30 30 PRO C C 30 176.800 176.833 -0.033 1
1 361 . 11 1 1 A 30 30 PRO CA C 30 62.600 65.024 -2.424 1
1 362 . 11 1 1 A 30 30 PRO CB C 30 31.900 31.900 0.000 1
1 365 . 11 1 1 A 31 31 LYS H H 31 8.370 7.664 0.706 1
1 366 . 11 1 1 A 31 31 LYS HA H 31 4.170 4.688 -0.518 1
1 375 . 11 1 1 A 31 31 LYS C C 31 177.700 175.553 2.147 1
1 376 . 11 1 1 A 31 31 LYS CA C 31 57.300 56.002 1.298 1
1 377 . 11 1 1 A 31 31 LYS CB C 31 32.000 35.470 -3.470 1
1 381 . 11 1 1 A 31 31 LYS N N 31 121.500 115.384 6.116 1
1 382 . 11 1 1 A 32 32 GLY H H 32 8.720 8.706 0.014 1
1 383 . 11 1 1 A 32 32 GLY HA2 H 32 3.780 3.939 -0.159 1
1 384 . 11 1 1 A 32 32 GLY HA3 H 32 4.120 3.940 0.180 1
1 385 . 11 1 1 A 32 32 GLY C C 32 173.900 173.331 0.569 1
1 386 . 11 1 1 A 32 32 GLY CA C 32 45.700 45.375 0.325 1
1 387 . 11 1 1 A 32 32 GLY N N 32 112.200 113.502 -1.302 1
1 388 . 11 1 1 A 33 33 ARG H H 33 7.790 7.839 -0.049 1
1 389 . 11 1 1 A 33 33 ARG HA H 33 4.590 4.609 -0.019 1
1 396 . 11 1 1 A 33 33 ARG C C 33 175.200 176.604 -1.404 1
1 397 . 11 1 1 A 33 33 ARG CA C 33 54.700 54.401 0.299 1
1 398 . 11 1 1 A 33 33 ARG CB C 33 32.300 32.347 -0.047 1
1 401 . 11 1 1 A 33 33 ARG N N 33 118.800 121.351 -2.551 1
1 402 . 11 1 1 A 34 34 LYS H H 34 8.190 8.947 -0.757 1
1 403 . 11 1 1 A 34 34 LYS HA H 34 4.280 4.002 0.278 1
1 412 . 11 1 1 A 34 34 LYS C C 34 176.700 176.804 -0.104 1
1 413 . 11 1 1 A 34 34 LYS CA C 34 56.800 58.107 -1.307 1
1 414 . 11 1 1 A 34 34 LYS CB C 34 32.900 33.449 -0.549 1
1 418 . 11 1 1 A 34 34 LYS N N 34 120.600 124.972 -4.372 1
1 419 . 11 1 1 A 35 35 GLY H H 35 8.490 7.849 0.641 1
1 420 . 11 1 1 A 35 35 GLY HA2 H 35 3.900 4.043 -0.143 1
1 421 . 11 1 1 A 35 35 GLY HA3 H 35 4.260 4.045 0.215 1
1 422 . 11 1 1 A 35 35 GLY C C 35 173.200 174.122 -0.922 1
1 423 . 11 1 1 A 35 35 GLY CA C 35 45.500 45.149 0.351 1
1 424 . 11 1 1 A 35 35 GLY N N 35 110.400 106.249 4.151 1
1 425 . 11 1 1 A 36 36 VAL H H 36 8.130 8.491 -0.361 1
1 426 . 11 1 1 A 36 36 VAL HA H 36 4.380 4.043 0.337 1
1 434 . 11 1 1 A 36 36 VAL C C 36 174.100 174.944 -0.844 1
1 435 . 11 1 1 A 36 36 VAL CA C 36 61.500 62.455 -0.955 1
1 436 . 11 1 1 A 36 36 VAL CB C 36 34.700 31.370 3.330 1
1 438 . 11 1 1 A 36 36 VAL N N 36 119.000 123.925 -4.925 1
1 439 . 11 1 1 A 37 37 LYS H H 37 9.020 8.976 0.044 1
1 440 . 11 1 1 A 37 37 LYS HA H 37 5.070 4.755 0.315 1
1 449 . 11 1 1 A 37 37 LYS C C 37 174.700 175.507 -0.807 1
1 450 . 11 1 1 A 37 37 LYS CA C 37 55.400 55.914 -0.514 1
1 451 . 11 1 1 A 37 37 LYS CB C 37 35.700 33.420 2.280 1
1 455 . 11 1 1 A 37 37 LYS N N 37 125.600 127.273 -1.673 1
1 456 . 11 1 1 A 38 38 ILE H H 38 8.860 8.885 -0.025 1
1 457 . 11 1 1 A 38 38 ILE HA H 38 4.390 4.754 -0.364 1
1 467 . 11 1 1 A 38 38 ILE C C 38 173.100 174.214 -1.114 1
1 468 . 11 1 1 A 38 38 ILE CA C 38 59.000 59.226 -0.226 1
1 469 . 11 1 1 A 38 38 ILE CB C 38 40.900 41.470 -0.570 1
1 473 . 11 1 1 A 38 38 ILE N N 38 123.300 124.523 -1.223 1
1 474 . 11 1 1 A 39 39 GLY H H 39 8.600 8.785 -0.185 1
1 475 . 11 1 1 A 39 39 GLY HA2 H 39 2.920 3.765 -0.845 1
1 476 . 11 1 1 A 39 39 GLY HA3 H 39 5.060 3.824 1.236 1
1 477 . 11 1 1 A 39 39 GLY C C 39 170.400 171.269 -0.869 1
1 478 . 11 1 1 A 39 39 GLY CA C 39 43.800 43.497 0.303 1
1 479 . 11 1 1 A 39 39 GLY N N 39 109.500 113.828 -4.328 1
1 480 . 11 1 1 A 40 40 LEU H H 40 8.090 8.789 -0.699 1
1 481 . 11 1 1 A 40 40 LEU HA H 40 4.870 4.796 0.074 1
1 491 . 11 1 1 A 40 40 LEU C C 40 174.100 174.565 -0.465 1
1 492 . 11 1 1 A 40 40 LEU CA C 40 53.400 53.489 -0.089 1
1 493 . 11 1 1 A 40 40 LEU CB C 40 45.500 44.158 1.342 1
1 497 . 11 1 1 A 40 40 LEU N N 40 122.200 124.132 -1.932 1
1 498 . 11 1 1 A 41 41 PHE H H 41 9.180 9.603 -0.423 1
1 499 . 11 1 1 A 41 41 PHE HA H 41 4.620 5.105 -0.485 1
1 507 . 11 1 1 A 41 41 PHE C C 41 173.000 173.896 -0.896 1
1 508 . 11 1 1 A 41 41 PHE CA C 41 56.000 56.098 -0.098 1
1 509 . 11 1 1 A 41 41 PHE CB C 41 43.400 43.234 0.166 1
1 515 . 11 1 1 A 41 41 PHE N N 41 124.600 125.417 -0.817 1
1 516 . 11 1 1 A 42 42 LYS H H 42 8.460 8.873 -0.413 1
1 517 . 11 1 1 A 42 42 LYS HA H 42 4.320 5.089 -0.769 1
1 526 . 11 1 1 A 42 42 LYS C C 42 175.800 175.109 0.691 1
1 527 . 11 1 1 A 42 42 LYS CA C 42 54.700 54.325 0.375 1
1 528 . 11 1 1 A 42 42 LYS CB C 42 34.500 35.246 -0.746 1
1 532 . 11 1 1 A 42 42 LYS N N 42 120.800 120.780 0.020 1
1 533 . 11 1 1 A 43 43 ASP H H 43 8.970 9.215 -0.245 1
1 534 . 11 1 1 A 43 43 ASP HA H 43 4.720 4.878 -0.158 1
1 537 . 11 1 1 A 43 43 ASP C C 43 175.800 175.808 -0.008 1
1 538 . 11 1 1 A 43 43 ASP CA C 43 52.100 51.615 0.485 1
1 539 . 11 1 1 A 43 43 ASP CB C 43 42.700 41.933 0.767 1
1 540 . 11 1 1 A 43 43 ASP N N 43 127.600 126.821 0.779 1
1 541 . 11 1 1 A 44 44 PRO HA H 44 4.320 4.529 -0.209 1
1 548 . 11 1 1 A 44 44 PRO C C 44 177.900 177.178 0.722 1
1 549 . 11 1 1 A 44 44 PRO CA C 44 64.300 64.206 0.094 1
1 550 . 11 1 1 A 44 44 PRO CB C 44 32.300 31.745 0.555 1
1 553 . 11 1 1 A 45 45 GLU H H 45 8.320 8.352 -0.032 1
1 554 . 11 1 1 A 45 45 GLU HA H 45 4.230 4.323 -0.093 1
1 559 . 11 1 1 A 45 45 GLU C C 45 177.800 178.125 -0.325 1
1 560 . 11 1 1 A 45 45 GLU CA C 45 58.600 58.074 0.526 1
1 561 . 11 1 1 A 45 45 GLU CB C 45 30.700 30.308 0.392 1
1 563 . 11 1 1 A 45 45 GLU N N 45 116.000 117.270 -1.270 1
1 564 . 11 1 1 A 46 46 THR H H 46 7.320 8.598 -1.278 1
1 565 . 11 1 1 A 46 46 THR HA H 46 4.460 4.439 0.021 1
1 570 . 11 1 1 A 46 46 THR C C 46 176.300 176.029 0.271 1
1 571 . 11 1 1 A 46 46 THR CA C 46 61.700 62.449 -0.749 1
1 572 . 11 1 1 A 46 46 THR CB C 46 71.500 70.676 0.824 1
1 574 . 11 1 1 A 46 46 THR N N 46 105.100 109.051 -3.951 1
1 575 . 11 1 1 A 47 47 GLY H H 47 8.550 8.921 -0.371 1
1 576 . 11 1 1 A 47 47 GLY HA2 H 47 3.570 3.908 -0.338 1
1 577 . 11 1 1 A 47 47 GLY HA3 H 47 4.160 3.938 0.222 1
1 578 . 11 1 1 A 47 47 GLY C C 47 173.200 173.837 -0.637 1
1 579 . 11 1 1 A 47 47 GLY CA C 47 45.700 45.949 -0.249 1
1 580 . 11 1 1 A 47 47 GLY N N 47 111.500 112.137 -0.637 1
1 581 . 11 1 1 A 48 48 LYS H H 48 7.700 7.652 0.048 1
1 582 . 11 1 1 A 48 48 LYS HA H 48 4.410 5.051 -0.641 1
1 591 . 11 1 1 A 48 48 LYS C C 48 176.600 174.664 1.936 1
1 592 . 11 1 1 A 48 48 LYS CA C 48 55.800 54.178 1.622 1
1 593 . 11 1 1 A 48 48 LYS CB C 48 33.900 36.346 -2.446 1
1 597 . 11 1 1 A 48 48 LYS N N 48 118.800 115.600 3.200 1
1 598 . 11 1 1 A 49 49 TYR H H 49 8.740 9.052 -0.312 1
1 599 . 11 1 1 A 49 49 TYR HA H 49 5.670 5.662 0.008 1
1 606 . 11 1 1 A 49 49 TYR C C 49 177.400 175.798 1.602 1
1 607 . 11 1 1 A 49 49 TYR CA C 49 58.200 56.931 1.269 1
1 608 . 11 1 1 A 49 49 TYR CB C 49 40.300 39.742 0.558 1
1 613 . 11 1 1 A 49 49 TYR N N 49 121.100 121.562 -0.462 1
1 614 . 11 1 1 A 50 50 PHE H H 50 9.630 9.310 0.320 1
1 615 . 11 1 1 A 50 50 PHE HA H 50 5.150 5.713 -0.563 1
1 623 . 11 1 1 A 50 50 PHE C C 50 172.500 173.558 -1.058 1
1 624 . 11 1 1 A 50 50 PHE CA C 50 56.200 55.371 0.829 1
1 625 . 11 1 1 A 50 50 PHE CB C 50 41.400 42.868 -1.468 1
1 631 . 11 1 1 A 50 50 PHE N N 50 118.400 119.918 -1.518 1
1 632 . 11 1 1 A 51 51 ARG H H 51 8.940 8.988 -0.048 1
1 633 . 11 1 1 A 51 51 ARG HA H 51 5.740 5.226 0.514 1
1 640 . 11 1 1 A 51 51 ARG C C 51 176.600 175.048 1.552 1
1 641 . 11 1 1 A 51 51 ARG CA C 51 54.900 55.518 -0.618 1
1 642 . 11 1 1 A 51 51 ARG CB C 51 32.700 31.731 0.969 1
1 645 . 11 1 1 A 51 51 ARG N N 51 120.700 119.636 1.064 1
1 646 . 11 1 1 A 52 52 HIS H H 52 9.130 9.104 0.026 1
1 647 . 11 1 1 A 52 52 HIS HA H 52 4.730 5.365 -0.635 1
1 651 . 11 1 1 A 52 52 HIS C C 52 173.900 172.791 1.109 1
1 652 . 11 1 1 A 52 52 HIS CA C 52 56.600 55.671 0.929 1
1 653 . 11 1 1 A 52 52 HIS CB C 52 33.700 33.927 -0.227 1
1 655 . 11 1 1 A 52 52 HIS N N 52 120.400 122.532 -2.132 1
1 656 . 11 1 1 A 53 53 LYS H H 53 8.770 7.932 0.838 1
1 657 . 11 1 1 A 53 53 LYS HA H 53 4.590 4.363 0.227 1
1 666 . 11 1 1 A 53 53 LYS C C 53 176.700 176.343 0.357 1
1 667 . 11 1 1 A 53 53 LYS CA C 53 58.000 56.561 1.439 1
1 668 . 11 1 1 A 53 53 LYS CB C 53 33.300 33.203 0.097 1
1 672 . 11 1 1 A 53 53 LYS N N 53 127.500 127.017 0.483 1
1 673 . 11 1 1 A 54 54 LEU H H 54 8.690 9.035 -0.345 1
1 674 . 11 1 1 A 54 54 LEU HA H 54 4.830 4.742 0.088 1
1 684 . 11 1 1 A 54 54 LEU C C 54 173.900 174.632 -0.732 1
1 685 . 11 1 1 A 54 54 LEU CA C 54 51.700 52.682 -0.982 1
1 686 . 11 1 1 A 54 54 LEU CB C 54 41.400 42.054 -0.654 1
1 690 . 11 1 1 A 54 54 LEU N N 54 125.400 126.312 -0.912 1
1 691 . 11 1 1 A 55 55 PRO HA H 55 4.420 4.572 -0.152 1
1 698 . 11 1 1 A 55 55 PRO C C 55 177.100 177.507 -0.407 1
1 699 . 11 1 1 A 55 55 PRO CA C 55 62.900 62.864 0.036 1
1 700 . 11 1 1 A 55 55 PRO CB C 55 32.500 32.226 0.274 1
1 703 . 11 1 1 A 56 56 ASP H H 56 8.740 8.696 0.044 1
1 704 . 11 1 1 A 56 56 ASP HA H 56 4.440 4.347 0.093 1
1 707 . 11 1 1 A 56 56 ASP C C 56 177.200 176.438 0.762 1
1 708 . 11 1 1 A 56 56 ASP CA C 56 57.500 56.569 0.931 1
1 709 . 11 1 1 A 56 56 ASP CB C 56 40.500 40.466 0.034 1
1 710 . 11 1 1 A 56 56 ASP N N 56 120.700 122.246 -1.546 1
1 711 . 11 1 1 A 57 57 ASP H H 57 8.350 7.901 0.449 1
1 712 . 11 1 1 A 57 57 ASP HA H 57 4.620 4.828 -0.208 1
1 715 . 11 1 1 A 57 57 ASP C C 57 176.300 175.514 0.786 1
1 716 . 11 1 1 A 57 57 ASP CA C 57 52.600 53.216 -0.616 1
1 717 . 11 1 1 A 57 57 ASP CB C 57 39.500 41.113 -1.613 1
1 718 . 11 1 1 A 57 57 ASP N N 57 116.400 117.692 -1.292 1
1 719 . 11 1 1 A 58 58 TYR H H 58 7.890 7.837 0.053 1
1 720 . 11 1 1 A 58 58 TYR HA H 58 4.350 4.653 -0.303 1
1 727 . 11 1 1 A 58 58 TYR C C 58 174.400 174.723 -0.323 1
1 728 . 11 1 1 A 58 58 TYR CA C 58 58.400 57.224 1.176 1
1 729 . 11 1 1 A 58 58 TYR CB C 58 40.300 39.539 0.761 1
1 734 . 11 1 1 A 58 58 TYR N N 58 125.500 121.967 3.533 1
1 735 . 11 1 1 A 59 59 PRO HA H 59 4.360 4.685 -0.325 1
1 742 . 11 1 1 A 59 59 PRO C C 59 174.700 176.064 -1.364 1
1 743 . 11 1 1 A 59 59 PRO CA C 59 63.400 62.272 1.128 1
1 744 . 11 1 1 A 59 59 PRO CB C 59 31.100 29.977 1.123 1
1 1 . 12 1 1 A 3 3 SER HA H 3 4.520 5.024 -0.504 1
1 4 . 12 1 1 A 3 3 SER C C 3 174.700 174.092 0.608 1
1 5 . 12 1 1 A 3 3 SER CA C 3 58.400 57.241 1.159 1
1 6 . 12 1 1 A 3 3 SER CB C 3 64.000 64.366 -0.366 1
1 7 . 12 1 1 A 4 4 GLY H H 4 8.350 8.440 -0.090 1
1 8 . 12 1 1 A 4 4 GLY HA2 H 4 3.910 4.081 -0.171 1
1 9 . 12 1 1 A 4 4 GLY HA3 H 4 4.050 4.083 -0.033 1
1 10 . 12 1 1 A 4 4 GLY C C 4 173.800 173.955 -0.155 1
1 11 . 12 1 1 A 4 4 GLY CA C 4 45.300 45.712 -0.412 1
1 12 . 12 1 1 A 4 4 GLY N N 4 110.300 112.399 -2.099 1
1 13 . 12 1 1 A 5 5 LYS H H 5 8.110 7.823 0.287 1
1 14 . 12 1 1 A 5 5 LYS HA H 5 4.310 4.419 -0.109 1
1 23 . 12 1 1 A 5 5 LYS C C 5 175.700 175.441 0.259 1
1 24 . 12 1 1 A 5 5 LYS CA C 5 56.100 55.519 0.581 1
1 25 . 12 1 1 A 5 5 LYS CB C 5 33.200 31.196 2.004 1
1 29 . 12 1 1 A 5 5 LYS N N 5 120.500 119.778 0.722 1
1 30 . 12 1 1 A 6 6 LYS H H 6 7.980 8.370 -0.390 1
1 31 . 12 1 1 A 6 6 LYS HA H 6 4.730 4.969 -0.239 1
1 40 . 12 1 1 A 6 6 LYS C C 6 174.800 174.994 -0.194 1
1 41 . 12 1 1 A 6 6 LYS CA C 6 54.000 52.807 1.193 1
1 42 . 12 1 1 A 6 6 LYS CB C 6 33.300 35.440 -2.140 1
1 46 . 12 1 1 A 6 6 LYS N N 6 121.900 126.138 -4.238 1
1 47 . 12 1 1 A 7 7 PRO HA H 7 4.610 5.130 -0.520 1
1 54 . 12 1 1 A 7 7 PRO C C 7 175.900 175.362 0.538 1
1 55 . 12 1 1 A 7 7 PRO CA C 7 62.500 62.438 0.062 1
1 56 . 12 1 1 A 7 7 PRO CB C 7 32.600 32.785 -0.185 1
1 59 . 12 1 1 A 8 8 VAL H H 8 9.040 8.707 0.333 1
1 60 . 12 1 1 A 8 8 VAL HA H 8 4.430 4.776 -0.346 1
1 68 . 12 1 1 A 8 8 VAL C C 8 173.900 174.213 -0.313 1
1 69 . 12 1 1 A 8 8 VAL CA C 8 60.200 59.672 0.528 1
1 70 . 12 1 1 A 8 8 VAL CB C 8 35.600 35.848 -0.248 1
1 73 . 12 1 1 A 8 8 VAL N N 8 119.900 121.503 -1.603 1
1 74 . 12 1 1 A 9 9 LYS H H 9 8.390 8.265 0.125 1
1 75 . 12 1 1 A 9 9 LYS HA H 9 4.610 4.445 0.165 1
1 84 . 12 1 1 A 9 9 LYS C C 9 175.500 175.503 -0.003 1
1 85 . 12 1 1 A 9 9 LYS CA C 9 56.800 56.269 0.531 1
1 86 . 12 1 1 A 9 9 LYS CB C 9 31.700 32.930 -1.230 1
1 90 . 12 1 1 A 9 9 LYS N N 9 125.800 125.973 -0.173 1
1 91 . 12 1 1 A 10 10 VAL H H 10 8.740 8.913 -0.173 1
1 92 . 12 1 1 A 10 10 VAL HA H 10 4.040 4.710 -0.670 1
1 100 . 12 1 1 A 10 10 VAL C C 10 173.600 173.821 -0.221 1
1 101 . 12 1 1 A 10 10 VAL CA C 10 58.600 59.387 -0.787 1
1 102 . 12 1 1 A 10 10 VAL CB C 10 35.200 34.397 0.803 1
1 105 . 12 1 1 A 10 10 VAL N N 10 120.700 123.364 -2.664 1
1 106 . 12 1 1 A 11 11 LYS H H 11 7.320 8.303 -0.983 1
1 107 . 12 1 1 A 11 11 LYS HA H 11 5.000 4.597 0.403 1
1 116 . 12 1 1 A 11 11 LYS C C 11 176.600 176.623 -0.023 1
1 117 . 12 1 1 A 11 11 LYS CA C 11 54.800 55.850 -1.050 1
1 118 . 12 1 1 A 11 11 LYS CB C 11 33.700 32.962 0.738 1
1 122 . 12 1 1 A 11 11 LYS N N 11 120.600 126.702 -6.102 1
1 123 . 12 1 1 A 12 12 THR H H 12 8.950 8.957 -0.007 1
1 124 . 12 1 1 A 12 12 THR HA H 12 3.700 4.532 -0.832 1
1 129 . 12 1 1 A 12 12 THR C C 12 175.100 174.573 0.527 1
1 130 . 12 1 1 A 12 12 THR CA C 12 59.700 59.338 0.362 1
1 131 . 12 1 1 A 12 12 THR CB C 12 67.700 69.137 -1.437 1
1 133 . 12 1 1 A 12 12 THR N N 12 115.400 117.276 -1.876 1
1 134 . 12 1 1 A 13 13 PRO HA H 13 4.180 4.344 -0.164 1
1 141 . 12 1 1 A 13 13 PRO C C 13 177.000 177.268 -0.268 1
1 142 . 12 1 1 A 13 13 PRO CA C 13 65.000 63.967 1.033 1
1 143 . 12 1 1 A 13 13 PRO CB C 13 31.400 31.662 -0.262 1
1 146 . 12 1 1 A 14 14 ALA H H 14 7.240 7.568 -0.328 1
1 147 . 12 1 1 A 14 14 ALA HA H 14 4.310 4.160 0.150 1
1 151 . 12 1 1 A 14 14 ALA C C 14 177.900 177.579 0.321 1
1 152 . 12 1 1 A 14 14 ALA CA C 14 52.200 52.988 -0.788 1
1 153 . 12 1 1 A 14 14 ALA CB C 14 19.000 19.477 -0.477 1
1 154 . 12 1 1 A 14 14 ALA N N 14 116.100 118.493 -2.393 1
1 155 . 12 1 1 A 15 15 GLY H H 15 8.310 7.634 0.676 1
1 156 . 12 1 1 A 15 15 GLY HA2 H 15 3.520 3.974 -0.454 1
1 157 . 12 1 1 A 15 15 GLY HA3 H 15 4.220 3.986 0.234 1
1 158 . 12 1 1 A 15 15 GLY C C 15 174.000 173.697 0.303 1
1 159 . 12 1 1 A 15 15 GLY CA C 15 45.300 45.189 0.111 1
1 160 . 12 1 1 A 15 15 GLY N N 15 107.000 106.157 0.843 1
1 161 . 12 1 1 A 16 16 LYS H H 16 6.960 7.109 -0.149 1
1 162 . 12 1 1 A 16 16 LYS HA H 16 4.490 4.850 -0.360 1
1 171 . 12 1 1 A 16 16 LYS C C 16 175.400 175.311 0.089 1
1 172 . 12 1 1 A 16 16 LYS CA C 16 54.800 54.086 0.714 1
1 173 . 12 1 1 A 16 16 LYS CB C 16 33.900 35.552 -1.652 1
1 177 . 12 1 1 A 16 16 LYS N N 16 119.200 116.359 2.841 1
1 178 . 12 1 1 A 17 17 GLU H H 17 8.520 8.541 -0.021 1
1 179 . 12 1 1 A 17 17 GLU HA H 17 4.990 4.536 0.454 1
1 184 . 12 1 1 A 17 17 GLU C C 17 175.800 175.556 0.244 1
1 185 . 12 1 1 A 17 17 GLU CA C 17 55.900 56.445 -0.545 1
1 186 . 12 1 1 A 17 17 GLU CB C 17 30.900 30.488 0.412 1
1 188 . 12 1 1 A 17 17 GLU N N 17 122.200 121.708 0.492 1
1 189 . 12 1 1 A 18 18 ALA H H 18 8.870 8.886 -0.016 1
1 190 . 12 1 1 A 18 18 ALA HA H 18 4.620 5.118 -0.498 1
1 194 . 12 1 1 A 18 18 ALA C C 18 174.600 175.840 -1.240 1
1 195 . 12 1 1 A 18 18 ALA CA C 18 51.000 50.284 0.716 1
1 196 . 12 1 1 A 18 18 ALA CB C 18 22.300 23.284 -0.984 1
1 197 . 12 1 1 A 18 18 ALA N N 18 127.200 128.920 -1.720 1
1 198 . 12 1 1 A 19 19 GLU H H 19 8.450 8.717 -0.267 1
1 199 . 12 1 1 A 19 19 GLU HA H 19 4.830 5.056 -0.226 1
1 204 . 12 1 1 A 19 19 GLU C C 19 175.200 175.281 -0.081 1
1 205 . 12 1 1 A 19 19 GLU CA C 19 55.400 55.762 -0.362 1
1 206 . 12 1 1 A 19 19 GLU CB C 19 30.100 30.283 -0.183 1
1 208 . 12 1 1 A 19 19 GLU N N 19 121.700 121.686 0.014 1
1 209 . 12 1 1 A 20 20 LEU H H 20 8.470 8.720 -0.250 1
1 210 . 12 1 1 A 20 20 LEU HA H 20 5.030 5.094 -0.064 1
1 220 . 12 1 1 A 20 20 LEU C C 20 175.600 175.648 -0.048 1
1 221 . 12 1 1 A 20 20 LEU CA C 20 53.000 53.541 -0.541 1
1 222 . 12 1 1 A 20 20 LEU CB C 20 47.600 45.031 2.569 1
1 226 . 12 1 1 A 20 20 LEU N N 20 124.600 126.101 -1.501 1
1 227 . 12 1 1 A 21 21 VAL H H 21 8.880 8.896 -0.016 1
1 228 . 12 1 1 A 21 21 VAL HA H 21 4.540 4.597 -0.057 1
1 236 . 12 1 1 A 21 21 VAL C C 21 175.000 174.239 0.761 1
1 237 . 12 1 1 A 21 21 VAL CA C 21 59.400 60.082 -0.682 1
1 238 . 12 1 1 A 21 21 VAL CB C 21 33.300 33.096 0.204 1
1 241 . 12 1 1 A 21 21 VAL N N 21 123.200 125.418 -2.218 1
1 242 . 12 1 1 A 22 22 PRO HA H 22 3.520 4.111 -0.591 1
1 249 . 12 1 1 A 22 22 PRO C C 22 176.300 177.627 -1.327 1
1 250 . 12 1 1 A 22 22 PRO CA C 22 62.600 62.815 -0.215 1
1 251 . 12 1 1 A 22 22 PRO CB C 22 30.800 31.892 -1.092 1
1 254 . 12 1 1 A 23 23 GLU H H 23 8.830 9.097 -0.267 1
1 255 . 12 1 1 A 23 23 GLU HA H 23 4.070 4.275 -0.205 1
1 260 . 12 1 1 A 23 23 GLU C C 23 176.700 176.085 0.615 1
1 261 . 12 1 1 A 23 23 GLU CA C 23 57.700 59.258 -1.558 1
1 262 . 12 1 1 A 23 23 GLU CB C 23 30.900 30.563 0.337 1
1 264 . 12 1 1 A 23 23 GLU N N 23 121.200 122.659 -1.459 1
1 265 . 12 1 1 A 24 24 LYS H H 24 7.120 7.606 -0.486 1
1 266 . 12 1 1 A 24 24 LYS HA H 24 4.480 4.922 -0.442 1
1 275 . 12 1 1 A 24 24 LYS C C 24 173.900 174.606 -0.706 1
1 276 . 12 1 1 A 24 24 LYS CA C 24 55.000 55.913 -0.913 1
1 277 . 12 1 1 A 24 24 LYS CB C 24 36.800 35.986 0.814 1
1 281 . 12 1 1 A 24 24 LYS N N 24 114.600 118.683 -4.083 1
1 282 . 12 1 1 A 25 25 VAL H H 25 8.240 8.844 -0.604 1
1 283 . 12 1 1 A 25 25 VAL HA H 25 5.030 4.988 0.042 1
1 291 . 12 1 1 A 25 25 VAL C C 25 174.500 174.883 -0.383 1
1 292 . 12 1 1 A 25 25 VAL CA C 25 60.200 59.990 0.210 1
1 293 . 12 1 1 A 25 25 VAL CB C 25 35.400 34.569 0.831 1
1 296 . 12 1 1 A 25 25 VAL N N 25 117.400 120.192 -2.792 1
1 297 . 12 1 1 A 26 26 TRP H H 26 9.130 8.768 0.362 1
1 298 . 12 1 1 A 26 26 TRP HA H 26 4.880 5.481 -0.601 1
1 307 . 12 1 1 A 26 26 TRP C C 26 172.600 173.615 -1.015 1
1 308 . 12 1 1 A 26 26 TRP CA C 26 57.800 55.551 2.249 1
1 309 . 12 1 1 A 26 26 TRP CB C 26 31.500 32.107 -0.607 1
1 315 . 12 1 1 A 26 26 TRP N N 26 122.500 121.087 1.413 1
1 317 . 12 1 1 A 27 27 ALA H H 27 8.640 8.909 -0.269 1
1 318 . 12 1 1 A 27 27 ALA HA H 27 5.170 5.414 -0.244 1
1 322 . 12 1 1 A 27 27 ALA C C 27 177.000 175.974 1.026 1
1 323 . 12 1 1 A 27 27 ALA CA C 27 50.500 50.699 -0.199 1
1 324 . 12 1 1 A 27 27 ALA CB C 27 21.000 22.605 -1.605 1
1 325 . 12 1 1 A 27 27 ALA N N 27 122.200 122.095 0.105 1
1 326 . 12 1 1 A 28 28 LEU H H 28 8.860 9.292 -0.432 1
1 327 . 12 1 1 A 28 28 LEU HA H 28 4.590 4.821 -0.231 1
1 337 . 12 1 1 A 28 28 LEU C C 28 176.100 175.236 0.864 1
1 338 . 12 1 1 A 28 28 LEU CA C 28 54.500 54.037 0.463 1
1 339 . 12 1 1 A 28 28 LEU CB C 28 43.100 41.588 1.512 1
1 343 . 12 1 1 A 28 28 LEU N N 28 123.300 123.616 -0.316 1
1 344 . 12 1 1 A 29 29 ALA H H 29 8.540 8.341 0.199 1
1 345 . 12 1 1 A 29 29 ALA HA H 29 4.820 4.876 -0.056 1
1 349 . 12 1 1 A 29 29 ALA C C 29 174.300 176.220 -1.920 1
1 350 . 12 1 1 A 29 29 ALA CA C 29 50.000 49.347 0.653 1
1 351 . 12 1 1 A 29 29 ALA CB C 29 19.000 19.912 -0.912 1
1 352 . 12 1 1 A 29 29 ALA N N 29 125.900 128.222 -2.322 1
1 353 . 12 1 1 A 30 30 PRO HA H 30 4.440 4.484 -0.044 1
1 360 . 12 1 1 A 30 30 PRO C C 30 176.800 177.116 -0.316 1
1 361 . 12 1 1 A 30 30 PRO CA C 30 62.600 65.075 -2.475 1
1 362 . 12 1 1 A 30 30 PRO CB C 30 31.900 31.918 -0.018 1
1 365 . 12 1 1 A 31 31 LYS H H 31 8.370 7.761 0.609 1
1 366 . 12 1 1 A 31 31 LYS HA H 31 4.170 4.586 -0.416 1
1 375 . 12 1 1 A 31 31 LYS C C 31 177.700 175.644 2.056 1
1 376 . 12 1 1 A 31 31 LYS CA C 31 57.300 55.941 1.359 1
1 377 . 12 1 1 A 31 31 LYS CB C 31 32.000 35.634 -3.634 1
1 381 . 12 1 1 A 31 31 LYS N N 31 121.500 114.766 6.734 1
1 382 . 12 1 1 A 32 32 GLY H H 32 8.720 8.839 -0.119 1
1 383 . 12 1 1 A 32 32 GLY HA2 H 32 3.780 3.890 -0.110 1
1 384 . 12 1 1 A 32 32 GLY HA3 H 32 4.120 3.891 0.229 1
1 385 . 12 1 1 A 32 32 GLY C C 32 173.900 173.643 0.257 1
1 386 . 12 1 1 A 32 32 GLY CA C 32 45.700 46.527 -0.827 1
1 387 . 12 1 1 A 32 32 GLY N N 32 112.200 113.740 -1.540 1
1 388 . 12 1 1 A 33 33 ARG H H 33 7.790 7.662 0.128 1
1 389 . 12 1 1 A 33 33 ARG HA H 33 4.590 4.814 -0.224 1
1 396 . 12 1 1 A 33 33 ARG C C 33 175.200 174.224 0.976 1
1 397 . 12 1 1 A 33 33 ARG CA C 33 54.700 54.214 0.486 1
1 398 . 12 1 1 A 33 33 ARG CB C 33 32.300 33.551 -1.251 1
1 401 . 12 1 1 A 33 33 ARG N N 33 118.800 119.300 -0.500 1
1 402 . 12 1 1 A 34 34 LYS H H 34 8.190 8.273 -0.083 1
1 403 . 12 1 1 A 34 34 LYS HA H 34 4.280 4.363 -0.083 1
1 412 . 12 1 1 A 34 34 LYS C C 34 176.700 176.438 0.262 1
1 413 . 12 1 1 A 34 34 LYS CA C 34 56.800 55.971 0.829 1
1 414 . 12 1 1 A 34 34 LYS CB C 34 32.900 32.482 0.418 1
1 418 . 12 1 1 A 34 34 LYS N N 34 120.600 122.218 -1.618 1
1 419 . 12 1 1 A 35 35 GLY H H 35 8.490 8.870 -0.380 1
1 420 . 12 1 1 A 35 35 GLY HA2 H 35 3.900 3.968 -0.068 1
1 421 . 12 1 1 A 35 35 GLY HA3 H 35 4.260 3.970 0.290 1
1 422 . 12 1 1 A 35 35 GLY C C 35 173.200 174.013 -0.813 1
1 423 . 12 1 1 A 35 35 GLY CA C 35 45.500 46.623 -1.123 1
1 424 . 12 1 1 A 35 35 GLY N N 35 110.400 112.392 -1.992 1
1 425 . 12 1 1 A 36 36 VAL H H 36 8.130 8.149 -0.019 1
1 426 . 12 1 1 A 36 36 VAL HA H 36 4.380 4.327 0.053 1
1 434 . 12 1 1 A 36 36 VAL C C 36 174.100 175.554 -1.454 1
1 435 . 12 1 1 A 36 36 VAL CA C 36 61.500 61.509 -0.009 1
1 436 . 12 1 1 A 36 36 VAL CB C 36 34.700 31.615 3.085 1
1 438 . 12 1 1 A 36 36 VAL N N 36 119.000 121.653 -2.653 1
1 439 . 12 1 1 A 37 37 LYS H H 37 9.020 8.305 0.715 1
1 440 . 12 1 1 A 37 37 LYS HA H 37 5.070 4.694 0.376 1
1 449 . 12 1 1 A 37 37 LYS C C 37 174.700 175.770 -1.070 1
1 450 . 12 1 1 A 37 37 LYS CA C 37 55.400 56.354 -0.954 1
1 451 . 12 1 1 A 37 37 LYS CB C 37 35.700 32.816 2.884 1
1 455 . 12 1 1 A 37 37 LYS N N 37 125.600 127.516 -1.916 1
1 456 . 12 1 1 A 38 38 ILE H H 38 8.860 8.925 -0.065 1
1 457 . 12 1 1 A 38 38 ILE HA H 38 4.390 4.615 -0.225 1
1 467 . 12 1 1 A 38 38 ILE C C 38 173.100 174.098 -0.998 1
1 468 . 12 1 1 A 38 38 ILE CA C 38 59.000 59.299 -0.299 1
1 469 . 12 1 1 A 38 38 ILE CB C 38 40.900 41.132 -0.232 1
1 473 . 12 1 1 A 38 38 ILE N N 38 123.300 124.705 -1.405 1
1 474 . 12 1 1 A 39 39 GLY H H 39 8.600 8.711 -0.111 1
1 475 . 12 1 1 A 39 39 GLY HA2 H 39 2.920 3.762 -0.842 1
1 476 . 12 1 1 A 39 39 GLY HA3 H 39 5.060 3.796 1.264 1
1 477 . 12 1 1 A 39 39 GLY C C 39 170.400 171.281 -0.881 1
1 478 . 12 1 1 A 39 39 GLY CA C 39 43.800 43.502 0.298 1
1 479 . 12 1 1 A 39 39 GLY N N 39 109.500 113.796 -4.296 1
1 480 . 12 1 1 A 40 40 LEU H H 40 8.090 8.605 -0.515 1
1 481 . 12 1 1 A 40 40 LEU HA H 40 4.870 4.816 0.054 1
1 491 . 12 1 1 A 40 40 LEU C C 40 174.100 174.628 -0.528 1
1 492 . 12 1 1 A 40 40 LEU CA C 40 53.400 53.579 -0.179 1
1 493 . 12 1 1 A 40 40 LEU CB C 40 45.500 44.108 1.392 1
1 497 . 12 1 1 A 40 40 LEU N N 40 122.200 124.266 -2.066 1
1 498 . 12 1 1 A 41 41 PHE H H 41 9.180 9.671 -0.491 1
1 499 . 12 1 1 A 41 41 PHE HA H 41 4.620 5.090 -0.470 1
1 507 . 12 1 1 A 41 41 PHE C C 41 173.000 173.838 -0.838 1
1 508 . 12 1 1 A 41 41 PHE CA C 41 56.000 56.079 -0.079 1
1 509 . 12 1 1 A 41 41 PHE CB C 41 43.400 43.006 0.394 1
1 515 . 12 1 1 A 41 41 PHE N N 41 124.600 125.497 -0.897 1
1 516 . 12 1 1 A 42 42 LYS H H 42 8.460 8.815 -0.355 1
1 517 . 12 1 1 A 42 42 LYS HA H 42 4.320 4.931 -0.611 1
1 526 . 12 1 1 A 42 42 LYS C C 42 175.800 175.366 0.434 1
1 527 . 12 1 1 A 42 42 LYS CA C 42 54.700 54.342 0.358 1
1 528 . 12 1 1 A 42 42 LYS CB C 42 34.500 35.475 -0.975 1
1 532 . 12 1 1 A 42 42 LYS N N 42 120.800 120.549 0.251 1
1 533 . 12 1 1 A 43 43 ASP H H 43 8.970 9.281 -0.311 1
1 534 . 12 1 1 A 43 43 ASP HA H 43 4.720 4.910 -0.190 1
1 537 . 12 1 1 A 43 43 ASP C C 43 175.800 176.386 -0.586 1
1 538 . 12 1 1 A 43 43 ASP CA C 43 52.100 52.162 -0.062 1
1 539 . 12 1 1 A 43 43 ASP CB C 43 42.700 42.135 0.565 1
1 540 . 12 1 1 A 43 43 ASP N N 43 127.600 126.984 0.616 1
1 541 . 12 1 1 A 44 44 PRO HA H 44 4.320 4.280 0.040 1
1 548 . 12 1 1 A 44 44 PRO C C 44 177.900 178.647 -0.747 1
1 549 . 12 1 1 A 44 44 PRO CA C 44 64.300 65.231 -0.931 1
1 550 . 12 1 1 A 44 44 PRO CB C 44 32.300 31.846 0.454 1
1 553 . 12 1 1 A 45 45 GLU H H 45 8.320 8.152 0.168 1
1 554 . 12 1 1 A 45 45 GLU HA H 45 4.230 4.154 0.076 1
1 559 . 12 1 1 A 45 45 GLU C C 45 177.800 178.542 -0.742 1
1 560 . 12 1 1 A 45 45 GLU CA C 45 58.600 59.288 -0.688 1
1 561 . 12 1 1 A 45 45 GLU CB C 45 30.700 30.529 0.171 1
1 563 . 12 1 1 A 45 45 GLU N N 45 116.000 117.959 -1.959 1
1 564 . 12 1 1 A 46 46 THR H H 46 7.320 8.534 -1.214 1
1 565 . 12 1 1 A 46 46 THR HA H 46 4.460 4.394 0.066 1
1 570 . 12 1 1 A 46 46 THR C C 46 176.300 176.270 0.030 1
1 571 . 12 1 1 A 46 46 THR CA C 46 61.700 62.503 -0.803 1
1 572 . 12 1 1 A 46 46 THR CB C 46 71.500 70.577 0.923 1
1 574 . 12 1 1 A 46 46 THR N N 46 105.100 108.383 -3.283 1
1 575 . 12 1 1 A 47 47 GLY H H 47 8.550 7.983 0.567 1
1 576 . 12 1 1 A 47 47 GLY HA2 H 47 3.570 3.869 -0.299 1
1 577 . 12 1 1 A 47 47 GLY HA3 H 47 4.160 3.903 0.257 1
1 578 . 12 1 1 A 47 47 GLY C C 47 173.200 174.681 -1.481 1
1 579 . 12 1 1 A 47 47 GLY CA C 47 45.700 45.450 0.250 1
1 580 . 12 1 1 A 47 47 GLY N N 47 111.500 111.916 -0.416 1
1 581 . 12 1 1 A 48 48 LYS H H 48 7.700 7.819 -0.119 1
1 582 . 12 1 1 A 48 48 LYS HA H 48 4.410 4.422 -0.012 1
1 591 . 12 1 1 A 48 48 LYS C C 48 176.600 175.744 0.856 1
1 592 . 12 1 1 A 48 48 LYS CA C 48 55.800 56.254 -0.454 1
1 593 . 12 1 1 A 48 48 LYS CB C 48 33.900 33.197 0.703 1
1 597 . 12 1 1 A 48 48 LYS N N 48 118.800 120.117 -1.317 1
1 598 . 12 1 1 A 49 49 TYR H H 49 8.740 9.102 -0.362 1
1 599 . 12 1 1 A 49 49 TYR HA H 49 5.670 5.341 0.329 1
1 606 . 12 1 1 A 49 49 TYR C C 49 177.400 175.987 1.413 1
1 607 . 12 1 1 A 49 49 TYR CA C 49 58.200 57.791 0.409 1
1 608 . 12 1 1 A 49 49 TYR CB C 49 40.300 39.083 1.217 1
1 613 . 12 1 1 A 49 49 TYR N N 49 121.100 123.008 -1.908 1
1 614 . 12 1 1 A 50 50 PHE H H 50 9.630 9.188 0.442 1
1 615 . 12 1 1 A 50 50 PHE HA H 50 5.150 5.841 -0.691 1
1 623 . 12 1 1 A 50 50 PHE C C 50 172.500 173.554 -1.054 1
1 624 . 12 1 1 A 50 50 PHE CA C 50 56.200 55.345 0.855 1
1 625 . 12 1 1 A 50 50 PHE CB C 50 41.400 42.889 -1.489 1
1 631 . 12 1 1 A 50 50 PHE N N 50 118.400 120.427 -2.027 1
1 632 . 12 1 1 A 51 51 ARG H H 51 8.940 8.984 -0.044 1
1 633 . 12 1 1 A 51 51 ARG HA H 51 5.740 5.289 0.451 1
1 640 . 12 1 1 A 51 51 ARG C C 51 176.600 175.084 1.516 1
1 641 . 12 1 1 A 51 51 ARG CA C 51 54.900 55.413 -0.513 1
1 642 . 12 1 1 A 51 51 ARG CB C 51 32.700 31.793 0.907 1
1 645 . 12 1 1 A 51 51 ARG N N 51 120.700 119.854 0.846 1
1 646 . 12 1 1 A 52 52 HIS H H 52 9.130 8.979 0.151 1
1 647 . 12 1 1 A 52 52 HIS HA H 52 4.730 5.353 -0.623 1
1 651 . 12 1 1 A 52 52 HIS C C 52 173.900 173.513 0.387 1
1 652 . 12 1 1 A 52 52 HIS CA C 52 56.600 55.193 1.407 1
1 653 . 12 1 1 A 52 52 HIS CB C 52 33.700 33.941 -0.241 1
1 655 . 12 1 1 A 52 52 HIS N N 52 120.400 122.273 -1.873 1
1 656 . 12 1 1 A 53 53 LYS H H 53 8.770 7.973 0.797 1
1 657 . 12 1 1 A 53 53 LYS HA H 53 4.590 4.195 0.395 1
1 666 . 12 1 1 A 53 53 LYS C C 53 176.700 176.139 0.561 1
1 667 . 12 1 1 A 53 53 LYS CA C 53 58.000 56.301 1.699 1
1 668 . 12 1 1 A 53 53 LYS CB C 53 33.300 32.526 0.774 1
1 672 . 12 1 1 A 53 53 LYS N N 53 127.500 120.302 7.198 1
1 673 . 12 1 1 A 54 54 LEU H H 54 8.690 9.189 -0.499 1
1 674 . 12 1 1 A 54 54 LEU HA H 54 4.830 4.691 0.139 1
1 684 . 12 1 1 A 54 54 LEU C C 54 173.900 174.508 -0.608 1
1 685 . 12 1 1 A 54 54 LEU CA C 54 51.700 52.913 -1.213 1
1 686 . 12 1 1 A 54 54 LEU CB C 54 41.400 41.301 0.099 1
1 690 . 12 1 1 A 54 54 LEU N N 54 125.400 124.258 1.142 1
1 691 . 12 1 1 A 55 55 PRO HA H 55 4.420 4.633 -0.213 1
1 698 . 12 1 1 A 55 55 PRO C C 55 177.100 177.388 -0.288 1
1 699 . 12 1 1 A 55 55 PRO CA C 55 62.900 62.869 0.031 1
1 700 . 12 1 1 A 55 55 PRO CB C 55 32.500 32.359 0.141 1
1 703 . 12 1 1 A 56 56 ASP H H 56 8.740 8.726 0.014 1
1 704 . 12 1 1 A 56 56 ASP HA H 56 4.440 4.359 0.081 1
1 707 . 12 1 1 A 56 56 ASP C C 56 177.200 177.643 -0.443 1
1 708 . 12 1 1 A 56 56 ASP CA C 56 57.500 56.874 0.626 1
1 709 . 12 1 1 A 56 56 ASP CB C 56 40.500 40.528 -0.028 1
1 710 . 12 1 1 A 56 56 ASP N N 56 120.700 122.341 -1.641 1
1 711 . 12 1 1 A 57 57 ASP H H 57 8.350 7.861 0.489 1
1 712 . 12 1 1 A 57 57 ASP HA H 57 4.620 4.646 -0.026 1
1 715 . 12 1 1 A 57 57 ASP C C 57 176.300 175.849 0.451 1
1 716 . 12 1 1 A 57 57 ASP CA C 57 52.600 54.799 -2.199 1
1 717 . 12 1 1 A 57 57 ASP CB C 57 39.500 41.036 -1.536 1
1 718 . 12 1 1 A 57 57 ASP N N 57 116.400 118.040 -1.640 1
1 719 . 12 1 1 A 58 58 TYR H H 58 7.890 7.869 0.021 1
1 720 . 12 1 1 A 58 58 TYR HA H 58 4.350 4.766 -0.416 1
1 727 . 12 1 1 A 58 58 TYR C C 58 174.400 174.221 0.179 1
1 728 . 12 1 1 A 58 58 TYR CA C 58 58.400 56.974 1.426 1
1 729 . 12 1 1 A 58 58 TYR CB C 58 40.300 39.531 0.769 1
1 734 . 12 1 1 A 58 58 TYR N N 58 125.500 121.792 3.708 1
1 735 . 12 1 1 A 59 59 PRO HA H 59 4.360 4.714 -0.354 1
1 742 . 12 1 1 A 59 59 PRO C C 59 174.700 176.506 -1.806 1
1 743 . 12 1 1 A 59 59 PRO CA C 59 63.400 62.091 1.309 1
1 744 . 12 1 1 A 59 59 PRO CB C 59 31.100 31.734 -0.634 1
1 1 . 13 1 1 A 3 3 SER HA H 3 4.520 4.822 -0.302 1
1 4 . 13 1 1 A 3 3 SER C C 3 174.700 174.355 0.345 1
1 5 . 13 1 1 A 3 3 SER CA C 3 58.400 56.495 1.905 1
1 6 . 13 1 1 A 3 3 SER CB C 3 64.000 64.641 -0.641 1
1 7 . 13 1 1 A 4 4 GLY H H 4 8.350 8.955 -0.605 1
1 8 . 13 1 1 A 4 4 GLY HA2 H 4 3.910 4.040 -0.130 1
1 9 . 13 1 1 A 4 4 GLY HA3 H 4 4.050 4.046 0.004 1
1 10 . 13 1 1 A 4 4 GLY C C 4 173.800 174.081 -0.281 1
1 11 . 13 1 1 A 4 4 GLY CA C 4 45.300 46.043 -0.743 1
1 12 . 13 1 1 A 4 4 GLY N N 4 110.300 115.658 -5.358 1
1 13 . 13 1 1 A 5 5 LYS H H 5 8.110 7.658 0.452 1
1 14 . 13 1 1 A 5 5 LYS HA H 5 4.310 4.549 -0.239 1
1 23 . 13 1 1 A 5 5 LYS C C 5 175.700 175.474 0.226 1
1 24 . 13 1 1 A 5 5 LYS CA C 5 56.100 55.641 0.459 1
1 25 . 13 1 1 A 5 5 LYS CB C 5 33.200 31.006 2.194 1
1 29 . 13 1 1 A 5 5 LYS N N 5 120.500 120.222 0.278 1
1 30 . 13 1 1 A 6 6 LYS H H 6 7.980 8.146 -0.166 1
1 31 . 13 1 1 A 6 6 LYS HA H 6 4.730 4.951 -0.221 1
1 40 . 13 1 1 A 6 6 LYS C C 6 174.800 173.775 1.025 1
1 41 . 13 1 1 A 6 6 LYS CA C 6 54.000 53.788 0.212 1
1 42 . 13 1 1 A 6 6 LYS CB C 6 33.300 33.309 -0.009 1
1 46 . 13 1 1 A 6 6 LYS N N 6 121.900 125.557 -3.657 1
1 47 . 13 1 1 A 7 7 PRO HA H 7 4.610 5.189 -0.579 1
1 54 . 13 1 1 A 7 7 PRO C C 7 175.900 175.750 0.150 1
1 55 . 13 1 1 A 7 7 PRO CA C 7 62.500 62.212 0.288 1
1 56 . 13 1 1 A 7 7 PRO CB C 7 32.600 32.051 0.549 1
1 59 . 13 1 1 A 8 8 VAL H H 8 9.040 8.557 0.483 1
1 60 . 13 1 1 A 8 8 VAL HA H 8 4.430 4.686 -0.256 1
1 68 . 13 1 1 A 8 8 VAL C C 8 173.900 174.983 -1.083 1
1 69 . 13 1 1 A 8 8 VAL CA C 8 60.200 59.818 0.382 1
1 70 . 13 1 1 A 8 8 VAL CB C 8 35.600 33.801 1.799 1
1 73 . 13 1 1 A 8 8 VAL N N 8 119.900 122.288 -2.388 1
1 74 . 13 1 1 A 9 9 LYS H H 9 8.390 8.598 -0.208 1
1 75 . 13 1 1 A 9 9 LYS HA H 9 4.610 4.493 0.117 1
1 84 . 13 1 1 A 9 9 LYS C C 9 175.500 175.144 0.356 1
1 85 . 13 1 1 A 9 9 LYS CA C 9 56.800 56.231 0.569 1
1 86 . 13 1 1 A 9 9 LYS CB C 9 31.700 32.968 -1.268 1
1 90 . 13 1 1 A 9 9 LYS N N 9 125.800 128.098 -2.298 1
1 91 . 13 1 1 A 10 10 VAL H H 10 8.740 8.930 -0.190 1
1 92 . 13 1 1 A 10 10 VAL HA H 10 4.040 4.699 -0.659 1
1 100 . 13 1 1 A 10 10 VAL C C 10 173.600 173.971 -0.371 1
1 101 . 13 1 1 A 10 10 VAL CA C 10 58.600 59.156 -0.556 1
1 102 . 13 1 1 A 10 10 VAL CB C 10 35.200 35.219 -0.019 1
1 105 . 13 1 1 A 10 10 VAL N N 10 120.700 126.233 -5.533 1
1 106 . 13 1 1 A 11 11 LYS H H 11 7.320 8.116 -0.796 1
1 107 . 13 1 1 A 11 11 LYS HA H 11 5.000 5.156 -0.156 1
1 116 . 13 1 1 A 11 11 LYS C C 11 176.600 177.255 -0.655 1
1 117 . 13 1 1 A 11 11 LYS CA C 11 54.800 55.730 -0.930 1
1 118 . 13 1 1 A 11 11 LYS CB C 11 33.700 33.727 -0.027 1
1 122 . 13 1 1 A 11 11 LYS N N 11 120.600 125.480 -4.880 1
1 123 . 13 1 1 A 12 12 THR H H 12 8.950 9.649 -0.699 1
1 124 . 13 1 1 A 12 12 THR HA H 12 3.700 4.636 -0.936 1
1 129 . 13 1 1 A 12 12 THR C C 12 175.100 174.875 0.225 1
1 130 . 13 1 1 A 12 12 THR CA C 12 59.700 59.633 0.067 1
1 131 . 13 1 1 A 12 12 THR CB C 12 67.700 68.830 -1.130 1
1 133 . 13 1 1 A 12 12 THR N N 12 115.400 116.198 -0.798 1
1 134 . 13 1 1 A 13 13 PRO HA H 13 4.180 4.185 -0.005 1
1 141 . 13 1 1 A 13 13 PRO C C 13 177.000 177.184 -0.184 1
1 142 . 13 1 1 A 13 13 PRO CA C 13 65.000 64.401 0.599 1
1 143 . 13 1 1 A 13 13 PRO CB C 13 31.400 31.510 -0.110 1
1 146 . 13 1 1 A 14 14 ALA H H 14 7.240 7.492 -0.252 1
1 147 . 13 1 1 A 14 14 ALA HA H 14 4.310 4.224 0.086 1
1 151 . 13 1 1 A 14 14 ALA C C 14 177.900 177.698 0.202 1
1 152 . 13 1 1 A 14 14 ALA CA C 14 52.200 52.066 0.134 1
1 153 . 13 1 1 A 14 14 ALA CB C 14 19.000 19.382 -0.382 1
1 154 . 13 1 1 A 14 14 ALA N N 14 116.100 117.530 -1.430 1
1 155 . 13 1 1 A 15 15 GLY H H 15 8.310 8.228 0.082 1
1 156 . 13 1 1 A 15 15 GLY HA2 H 15 3.520 3.854 -0.334 1
1 157 . 13 1 1 A 15 15 GLY HA3 H 15 4.220 3.861 0.359 1
1 158 . 13 1 1 A 15 15 GLY C C 15 174.000 174.006 -0.006 1
1 159 . 13 1 1 A 15 15 GLY CA C 15 45.300 45.616 -0.316 1
1 160 . 13 1 1 A 15 15 GLY N N 15 107.000 106.861 0.139 1
1 161 . 13 1 1 A 16 16 LYS H H 16 6.960 7.397 -0.437 1
1 162 . 13 1 1 A 16 16 LYS HA H 16 4.490 4.581 -0.091 1
1 171 . 13 1 1 A 16 16 LYS C C 16 175.400 175.144 0.256 1
1 172 . 13 1 1 A 16 16 LYS CA C 16 54.800 54.696 0.104 1
1 173 . 13 1 1 A 16 16 LYS CB C 16 33.900 34.215 -0.315 1
1 177 . 13 1 1 A 16 16 LYS N N 16 119.200 119.402 -0.202 1
1 178 . 13 1 1 A 17 17 GLU H H 17 8.520 8.704 -0.184 1
1 179 . 13 1 1 A 17 17 GLU HA H 17 4.990 5.559 -0.569 1
1 184 . 13 1 1 A 17 17 GLU C C 17 175.800 175.401 0.399 1
1 185 . 13 1 1 A 17 17 GLU CA C 17 55.900 54.678 1.222 1
1 186 . 13 1 1 A 17 17 GLU CB C 17 30.900 33.202 -2.302 1
1 188 . 13 1 1 A 17 17 GLU N N 17 122.200 122.317 -0.117 1
1 189 . 13 1 1 A 18 18 ALA H H 18 8.870 8.747 0.123 1
1 190 . 13 1 1 A 18 18 ALA HA H 18 4.620 4.774 -0.154 1
1 194 . 13 1 1 A 18 18 ALA C C 18 174.600 176.104 -1.504 1
1 195 . 13 1 1 A 18 18 ALA CA C 18 51.000 51.028 -0.028 1
1 196 . 13 1 1 A 18 18 ALA CB C 18 22.300 23.516 -1.216 1
1 197 . 13 1 1 A 18 18 ALA N N 18 127.200 128.216 -1.016 1
1 198 . 13 1 1 A 19 19 GLU H H 19 8.450 8.394 0.056 1
1 199 . 13 1 1 A 19 19 GLU HA H 19 4.830 5.086 -0.256 1
1 204 . 13 1 1 A 19 19 GLU C C 19 175.200 175.523 -0.323 1
1 205 . 13 1 1 A 19 19 GLU CA C 19 55.400 56.209 -0.809 1
1 206 . 13 1 1 A 19 19 GLU CB C 19 30.100 30.424 -0.324 1
1 208 . 13 1 1 A 19 19 GLU N N 19 121.700 119.389 2.311 1
1 209 . 13 1 1 A 20 20 LEU H H 20 8.470 9.080 -0.610 1
1 210 . 13 1 1 A 20 20 LEU HA H 20 5.030 5.103 -0.073 1
1 220 . 13 1 1 A 20 20 LEU C C 20 175.600 175.647 -0.047 1
1 221 . 13 1 1 A 20 20 LEU CA C 20 53.000 53.583 -0.583 1
1 222 . 13 1 1 A 20 20 LEU CB C 20 47.600 45.593 2.007 1
1 226 . 13 1 1 A 20 20 LEU N N 20 124.600 126.511 -1.911 1
1 227 . 13 1 1 A 21 21 VAL H H 21 8.880 8.749 0.131 1
1 228 . 13 1 1 A 21 21 VAL HA H 21 4.540 4.572 -0.032 1
1 236 . 13 1 1 A 21 21 VAL C C 21 175.000 174.287 0.713 1
1 237 . 13 1 1 A 21 21 VAL CA C 21 59.400 60.223 -0.823 1
1 238 . 13 1 1 A 21 21 VAL CB C 21 33.300 33.408 -0.108 1
1 241 . 13 1 1 A 21 21 VAL N N 21 123.200 126.353 -3.153 1
1 242 . 13 1 1 A 22 22 PRO HA H 22 3.520 4.066 -0.546 1
1 249 . 13 1 1 A 22 22 PRO C C 22 176.300 177.408 -1.108 1
1 250 . 13 1 1 A 22 22 PRO CA C 22 62.600 62.459 0.141 1
1 251 . 13 1 1 A 22 22 PRO CB C 22 30.800 31.783 -0.983 1
1 254 . 13 1 1 A 23 23 GLU H H 23 8.830 9.373 -0.543 1
1 255 . 13 1 1 A 23 23 GLU HA H 23 4.070 4.237 -0.167 1
1 260 . 13 1 1 A 23 23 GLU C C 23 176.700 176.299 0.401 1
1 261 . 13 1 1 A 23 23 GLU CA C 23 57.700 59.412 -1.712 1
1 262 . 13 1 1 A 23 23 GLU CB C 23 30.900 31.480 -0.580 1
1 264 . 13 1 1 A 23 23 GLU N N 23 121.200 120.261 0.939 1
1 265 . 13 1 1 A 24 24 LYS H H 24 7.120 7.181 -0.061 1
1 266 . 13 1 1 A 24 24 LYS HA H 24 4.480 4.955 -0.475 1
1 275 . 13 1 1 A 24 24 LYS C C 24 173.900 174.606 -0.706 1
1 276 . 13 1 1 A 24 24 LYS CA C 24 55.000 55.653 -0.653 1
1 277 . 13 1 1 A 24 24 LYS CB C 24 36.800 36.115 0.685 1
1 281 . 13 1 1 A 24 24 LYS N N 24 114.600 119.406 -4.806 1
1 282 . 13 1 1 A 25 25 VAL H H 25 8.240 8.809 -0.569 1
1 283 . 13 1 1 A 25 25 VAL HA H 25 5.030 4.949 0.081 1
1 291 . 13 1 1 A 25 25 VAL C C 25 174.500 174.701 -0.201 1
1 292 . 13 1 1 A 25 25 VAL CA C 25 60.200 59.915 0.285 1
1 293 . 13 1 1 A 25 25 VAL CB C 25 35.400 35.608 -0.208 1
1 296 . 13 1 1 A 25 25 VAL N N 25 117.400 119.093 -1.693 1
1 297 . 13 1 1 A 26 26 TRP H H 26 9.130 8.897 0.233 1
1 298 . 13 1 1 A 26 26 TRP HA H 26 4.880 5.518 -0.638 1
1 307 . 13 1 1 A 26 26 TRP C C 26 172.600 173.456 -0.856 1
1 308 . 13 1 1 A 26 26 TRP CA C 26 57.800 55.609 2.191 1
1 309 . 13 1 1 A 26 26 TRP CB C 26 31.500 32.392 -0.892 1
1 315 . 13 1 1 A 26 26 TRP N N 26 122.500 121.032 1.468 1
1 317 . 13 1 1 A 27 27 ALA H H 27 8.640 8.906 -0.266 1
1 318 . 13 1 1 A 27 27 ALA HA H 27 5.170 5.578 -0.408 1
1 322 . 13 1 1 A 27 27 ALA C C 27 177.000 175.776 1.224 1
1 323 . 13 1 1 A 27 27 ALA CA C 27 50.500 50.326 0.174 1
1 324 . 13 1 1 A 27 27 ALA CB C 27 21.000 22.127 -1.127 1
1 325 . 13 1 1 A 27 27 ALA N N 27 122.200 122.508 -0.308 1
1 326 . 13 1 1 A 28 28 LEU H H 28 8.860 9.628 -0.768 1
1 327 . 13 1 1 A 28 28 LEU HA H 28 4.590 4.724 -0.134 1
1 337 . 13 1 1 A 28 28 LEU C C 28 176.100 175.564 0.536 1
1 338 . 13 1 1 A 28 28 LEU CA C 28 54.500 54.516 -0.016 1
1 339 . 13 1 1 A 28 28 LEU CB C 28 43.100 40.498 2.602 1
1 343 . 13 1 1 A 28 28 LEU N N 28 123.300 124.500 -1.200 1
1 344 . 13 1 1 A 29 29 ALA H H 29 8.540 8.041 0.499 1
1 345 . 13 1 1 A 29 29 ALA HA H 29 4.820 4.866 -0.046 1
1 349 . 13 1 1 A 29 29 ALA C C 29 174.300 175.705 -1.405 1
1 350 . 13 1 1 A 29 29 ALA CA C 29 50.000 49.630 0.370 1
1 351 . 13 1 1 A 29 29 ALA CB C 29 19.000 19.167 -0.167 1
1 352 . 13 1 1 A 29 29 ALA N N 29 125.900 127.516 -1.616 1
1 353 . 13 1 1 A 30 30 PRO HA H 30 4.440 4.345 0.095 1
1 360 . 13 1 1 A 30 30 PRO C C 30 176.800 177.615 -0.815 1
1 361 . 13 1 1 A 30 30 PRO CA C 30 62.600 64.969 -2.369 1
1 362 . 13 1 1 A 30 30 PRO CB C 30 31.900 31.881 0.019 1
1 365 . 13 1 1 A 31 31 LYS H H 31 8.370 7.582 0.788 1
1 366 . 13 1 1 A 31 31 LYS HA H 31 4.170 4.584 -0.414 1
1 375 . 13 1 1 A 31 31 LYS C C 31 177.700 175.512 2.188 1
1 376 . 13 1 1 A 31 31 LYS CA C 31 57.300 57.335 -0.035 1
1 377 . 13 1 1 A 31 31 LYS CB C 31 32.000 34.660 -2.660 1
1 381 . 13 1 1 A 31 31 LYS N N 31 121.500 115.823 5.677 1
1 382 . 13 1 1 A 32 32 GLY H H 32 8.720 8.129 0.591 1
1 383 . 13 1 1 A 32 32 GLY HA2 H 32 3.780 4.298 -0.518 1
1 384 . 13 1 1 A 32 32 GLY HA3 H 32 4.120 4.299 -0.179 1
1 385 . 13 1 1 A 32 32 GLY C C 32 173.900 172.759 1.141 1
1 386 . 13 1 1 A 32 32 GLY CA C 32 45.700 45.279 0.421 1
1 387 . 13 1 1 A 32 32 GLY N N 32 112.200 106.986 5.214 1
1 388 . 13 1 1 A 33 33 ARG H H 33 7.790 8.737 -0.947 1
1 389 . 13 1 1 A 33 33 ARG HA H 33 4.590 4.607 -0.017 1
1 396 . 13 1 1 A 33 33 ARG C C 33 175.200 176.209 -1.009 1
1 397 . 13 1 1 A 33 33 ARG CA C 33 54.700 54.767 -0.067 1
1 398 . 13 1 1 A 33 33 ARG CB C 33 32.300 31.029 1.271 1
1 401 . 13 1 1 A 33 33 ARG N N 33 118.800 126.029 -7.229 1
1 402 . 13 1 1 A 34 34 LYS H H 34 8.190 8.275 -0.085 1
1 403 . 13 1 1 A 34 34 LYS HA H 34 4.280 3.902 0.378 1
1 412 . 13 1 1 A 34 34 LYS C C 34 176.700 176.740 -0.040 1
1 413 . 13 1 1 A 34 34 LYS CA C 34 56.800 58.916 -2.116 1
1 414 . 13 1 1 A 34 34 LYS CB C 34 32.900 30.430 2.470 1
1 418 . 13 1 1 A 34 34 LYS N N 34 120.600 115.367 5.233 1
1 419 . 13 1 1 A 35 35 GLY H H 35 8.490 8.918 -0.428 1
1 420 . 13 1 1 A 35 35 GLY HA2 H 35 3.900 3.979 -0.079 1
1 421 . 13 1 1 A 35 35 GLY HA3 H 35 4.260 3.983 0.277 1
1 422 . 13 1 1 A 35 35 GLY C C 35 173.200 174.735 -1.535 1
1 423 . 13 1 1 A 35 35 GLY CA C 35 45.500 46.331 -0.831 1
1 424 . 13 1 1 A 35 35 GLY N N 35 110.400 105.755 4.645 1
1 425 . 13 1 1 A 36 36 VAL H H 36 8.130 7.918 0.212 1
1 426 . 13 1 1 A 36 36 VAL HA H 36 4.380 3.906 0.474 1
1 434 . 13 1 1 A 36 36 VAL C C 36 174.100 174.969 -0.869 1
1 435 . 13 1 1 A 36 36 VAL CA C 36 61.500 62.453 -0.953 1
1 436 . 13 1 1 A 36 36 VAL CB C 36 34.700 31.598 3.102 1
1 438 . 13 1 1 A 36 36 VAL N N 36 119.000 119.890 -0.890 1
1 439 . 13 1 1 A 37 37 LYS H H 37 9.020 8.593 0.427 1
1 440 . 13 1 1 A 37 37 LYS HA H 37 5.070 4.950 0.120 1
1 449 . 13 1 1 A 37 37 LYS C C 37 174.700 175.645 -0.945 1
1 450 . 13 1 1 A 37 37 LYS CA C 37 55.400 55.382 0.018 1
1 451 . 13 1 1 A 37 37 LYS CB C 37 35.700 34.082 1.618 1
1 455 . 13 1 1 A 37 37 LYS N N 37 125.600 127.292 -1.692 1
1 456 . 13 1 1 A 38 38 ILE H H 38 8.860 8.752 0.108 1
1 457 . 13 1 1 A 38 38 ILE HA H 38 4.390 4.632 -0.242 1
1 467 . 13 1 1 A 38 38 ILE C C 38 173.100 174.169 -1.069 1
1 468 . 13 1 1 A 38 38 ILE CA C 38 59.000 59.211 -0.211 1
1 469 . 13 1 1 A 38 38 ILE CB C 38 40.900 41.671 -0.771 1
1 473 . 13 1 1 A 38 38 ILE N N 38 123.300 124.238 -0.938 1
1 474 . 13 1 1 A 39 39 GLY H H 39 8.600 8.746 -0.146 1
1 475 . 13 1 1 A 39 39 GLY HA2 H 39 2.920 3.719 -0.799 1
1 476 . 13 1 1 A 39 39 GLY HA3 H 39 5.060 3.770 1.290 1
1 477 . 13 1 1 A 39 39 GLY C C 39 170.400 171.255 -0.855 1
1 478 . 13 1 1 A 39 39 GLY CA C 39 43.800 43.430 0.370 1
1 479 . 13 1 1 A 39 39 GLY N N 39 109.500 113.538 -4.038 1
1 480 . 13 1 1 A 40 40 LEU H H 40 8.090 8.716 -0.626 1
1 481 . 13 1 1 A 40 40 LEU HA H 40 4.870 4.847 0.023 1
1 491 . 13 1 1 A 40 40 LEU C C 40 174.100 174.556 -0.456 1
1 492 . 13 1 1 A 40 40 LEU CA C 40 53.400 53.576 -0.176 1
1 493 . 13 1 1 A 40 40 LEU CB C 40 45.500 44.531 0.969 1
1 497 . 13 1 1 A 40 40 LEU N N 40 122.200 124.297 -2.097 1
1 498 . 13 1 1 A 41 41 PHE H H 41 9.180 9.683 -0.503 1
1 499 . 13 1 1 A 41 41 PHE HA H 41 4.620 4.990 -0.370 1
1 507 . 13 1 1 A 41 41 PHE C C 41 173.000 173.841 -0.841 1
1 508 . 13 1 1 A 41 41 PHE CA C 41 56.000 56.013 -0.013 1
1 509 . 13 1 1 A 41 41 PHE CB C 41 43.400 42.943 0.457 1
1 515 . 13 1 1 A 41 41 PHE N N 41 124.600 125.150 -0.550 1
1 516 . 13 1 1 A 42 42 LYS H H 42 8.460 8.826 -0.366 1
1 517 . 13 1 1 A 42 42 LYS HA H 42 4.320 4.820 -0.500 1
1 526 . 13 1 1 A 42 42 LYS C C 42 175.800 175.467 0.333 1
1 527 . 13 1 1 A 42 42 LYS CA C 42 54.700 54.234 0.466 1
1 528 . 13 1 1 A 42 42 LYS CB C 42 34.500 34.808 -0.308 1
1 532 . 13 1 1 A 42 42 LYS N N 42 120.800 120.928 -0.128 1
1 533 . 13 1 1 A 43 43 ASP H H 43 8.970 9.320 -0.350 1
1 534 . 13 1 1 A 43 43 ASP HA H 43 4.720 4.854 -0.134 1
1 537 . 13 1 1 A 43 43 ASP C C 43 175.800 176.444 -0.644 1
1 538 . 13 1 1 A 43 43 ASP CA C 43 52.100 52.375 -0.275 1
1 539 . 13 1 1 A 43 43 ASP CB C 43 42.700 42.070 0.630 1
1 540 . 13 1 1 A 43 43 ASP N N 43 127.600 127.052 0.548 1
1 541 . 13 1 1 A 44 44 PRO HA H 44 4.320 4.384 -0.064 1
1 548 . 13 1 1 A 44 44 PRO C C 44 177.900 177.812 0.088 1
1 549 . 13 1 1 A 44 44 PRO CA C 44 64.300 64.632 -0.332 1
1 550 . 13 1 1 A 44 44 PRO CB C 44 32.300 32.120 0.180 1
1 553 . 13 1 1 A 45 45 GLU H H 45 8.320 8.601 -0.281 1
1 554 . 13 1 1 A 45 45 GLU HA H 45 4.230 4.324 -0.094 1
1 559 . 13 1 1 A 45 45 GLU C C 45 177.800 178.310 -0.510 1
1 560 . 13 1 1 A 45 45 GLU CA C 45 58.600 58.455 0.145 1
1 561 . 13 1 1 A 45 45 GLU CB C 45 30.700 30.424 0.276 1
1 563 . 13 1 1 A 45 45 GLU N N 45 116.000 115.493 0.507 1
1 564 . 13 1 1 A 46 46 THR H H 46 7.320 8.758 -1.438 1
1 565 . 13 1 1 A 46 46 THR HA H 46 4.460 4.462 -0.002 1
1 570 . 13 1 1 A 46 46 THR C C 46 176.300 176.060 0.240 1
1 571 . 13 1 1 A 46 46 THR CA C 46 61.700 62.171 -0.471 1
1 572 . 13 1 1 A 46 46 THR CB C 46 71.500 70.610 0.890 1
1 574 . 13 1 1 A 46 46 THR N N 46 105.100 108.988 -3.888 1
1 575 . 13 1 1 A 47 47 GLY H H 47 8.550 8.034 0.516 1
1 576 . 13 1 1 A 47 47 GLY HA2 H 47 3.570 3.930 -0.360 1
1 577 . 13 1 1 A 47 47 GLY HA3 H 47 4.160 3.948 0.212 1
1 578 . 13 1 1 A 47 47 GLY C C 47 173.200 174.566 -1.366 1
1 579 . 13 1 1 A 47 47 GLY CA C 47 45.700 45.723 -0.023 1
1 580 . 13 1 1 A 47 47 GLY N N 47 111.500 112.503 -1.003 1
1 581 . 13 1 1 A 48 48 LYS H H 48 7.700 7.949 -0.249 1
1 582 . 13 1 1 A 48 48 LYS HA H 48 4.410 4.610 -0.200 1
1 591 . 13 1 1 A 48 48 LYS C C 48 176.600 175.665 0.935 1
1 592 . 13 1 1 A 48 48 LYS CA C 48 55.800 55.819 -0.019 1
1 593 . 13 1 1 A 48 48 LYS CB C 48 33.900 33.656 0.244 1
1 597 . 13 1 1 A 48 48 LYS N N 48 118.800 118.580 0.220 1
1 598 . 13 1 1 A 49 49 TYR H H 49 8.740 9.301 -0.561 1
1 599 . 13 1 1 A 49 49 TYR HA H 49 5.670 5.540 0.130 1
1 606 . 13 1 1 A 49 49 TYR C C 49 177.400 175.770 1.630 1
1 607 . 13 1 1 A 49 49 TYR CA C 49 58.200 56.940 1.260 1
1 608 . 13 1 1 A 49 49 TYR CB C 49 40.300 39.718 0.582 1
1 613 . 13 1 1 A 49 49 TYR N N 49 121.100 122.098 -0.998 1
1 614 . 13 1 1 A 50 50 PHE H H 50 9.630 9.273 0.357 1
1 615 . 13 1 1 A 50 50 PHE HA H 50 5.150 5.716 -0.566 1
1 623 . 13 1 1 A 50 50 PHE C C 50 172.500 173.425 -0.925 1
1 624 . 13 1 1 A 50 50 PHE CA C 50 56.200 55.234 0.966 1
1 625 . 13 1 1 A 50 50 PHE CB C 50 41.400 42.741 -1.341 1
1 631 . 13 1 1 A 50 50 PHE N N 50 118.400 119.951 -1.551 1
1 632 . 13 1 1 A 51 51 ARG H H 51 8.940 8.965 -0.025 1
1 633 . 13 1 1 A 51 51 ARG HA H 51 5.740 5.272 0.468 1
1 640 . 13 1 1 A 51 51 ARG C C 51 176.600 174.922 1.678 1
1 641 . 13 1 1 A 51 51 ARG CA C 51 54.900 55.153 -0.253 1
1 642 . 13 1 1 A 51 51 ARG CB C 51 32.700 31.946 0.754 1
1 645 . 13 1 1 A 51 51 ARG N N 51 120.700 119.396 1.304 1
1 646 . 13 1 1 A 52 52 HIS H H 52 9.130 9.078 0.052 1
1 647 . 13 1 1 A 52 52 HIS HA H 52 4.730 5.373 -0.643 1
1 651 . 13 1 1 A 52 52 HIS C C 52 173.900 173.430 0.470 1
1 652 . 13 1 1 A 52 52 HIS CA C 52 56.600 55.285 1.315 1
1 653 . 13 1 1 A 52 52 HIS CB C 52 33.700 33.786 -0.086 1
1 655 . 13 1 1 A 52 52 HIS N N 52 120.400 122.229 -1.829 1
1 656 . 13 1 1 A 53 53 LYS H H 53 8.770 7.991 0.779 1
1 657 . 13 1 1 A 53 53 LYS HA H 53 4.590 4.046 0.544 1
1 666 . 13 1 1 A 53 53 LYS C C 53 176.700 176.026 0.674 1
1 667 . 13 1 1 A 53 53 LYS CA C 53 58.000 56.245 1.755 1
1 668 . 13 1 1 A 53 53 LYS CB C 53 33.300 32.707 0.593 1
1 672 . 13 1 1 A 53 53 LYS N N 53 127.500 120.511 6.989 1
1 673 . 13 1 1 A 54 54 LEU H H 54 8.690 8.917 -0.227 1
1 674 . 13 1 1 A 54 54 LEU HA H 54 4.830 4.688 0.142 1
1 684 . 13 1 1 A 54 54 LEU C C 54 173.900 174.537 -0.637 1
1 685 . 13 1 1 A 54 54 LEU CA C 54 51.700 52.745 -1.045 1
1 686 . 13 1 1 A 54 54 LEU CB C 54 41.400 41.582 -0.182 1
1 690 . 13 1 1 A 54 54 LEU N N 54 125.400 123.100 2.300 1
1 691 . 13 1 1 A 55 55 PRO HA H 55 4.420 4.631 -0.211 1
1 698 . 13 1 1 A 55 55 PRO C C 55 177.100 177.358 -0.258 1
1 699 . 13 1 1 A 55 55 PRO CA C 55 62.900 62.852 0.048 1
1 700 . 13 1 1 A 55 55 PRO CB C 55 32.500 32.511 -0.011 1
1 703 . 13 1 1 A 56 56 ASP H H 56 8.740 8.766 -0.026 1
1 704 . 13 1 1 A 56 56 ASP HA H 56 4.440 4.368 0.072 1
1 707 . 13 1 1 A 56 56 ASP C C 56 177.200 177.195 0.005 1
1 708 . 13 1 1 A 56 56 ASP CA C 56 57.500 56.608 0.892 1
1 709 . 13 1 1 A 56 56 ASP CB C 56 40.500 40.440 0.060 1
1 710 . 13 1 1 A 56 56 ASP N N 56 120.700 122.332 -1.632 1
1 711 . 13 1 1 A 57 57 ASP H H 57 8.350 7.842 0.508 1
1 712 . 13 1 1 A 57 57 ASP HA H 57 4.620 4.688 -0.068 1
1 715 . 13 1 1 A 57 57 ASP C C 57 176.300 175.757 0.543 1
1 716 . 13 1 1 A 57 57 ASP CA C 57 52.600 54.556 -1.956 1
1 717 . 13 1 1 A 57 57 ASP CB C 57 39.500 41.090 -1.590 1
1 718 . 13 1 1 A 57 57 ASP N N 57 116.400 118.062 -1.662 1
1 719 . 13 1 1 A 58 58 TYR H H 58 7.890 7.746 0.144 1
1 720 . 13 1 1 A 58 58 TYR HA H 58 4.350 4.652 -0.302 1
1 727 . 13 1 1 A 58 58 TYR C C 58 174.400 174.444 -0.044 1
1 728 . 13 1 1 A 58 58 TYR CA C 58 58.400 57.264 1.136 1
1 729 . 13 1 1 A 58 58 TYR CB C 58 40.300 39.701 0.599 1
1 734 . 13 1 1 A 58 58 TYR N N 58 125.500 121.613 3.887 1
1 735 . 13 1 1 A 59 59 PRO HA H 59 4.360 4.790 -0.430 1
1 742 . 13 1 1 A 59 59 PRO C C 59 174.700 176.580 -1.880 1
1 743 . 13 1 1 A 59 59 PRO CA C 59 63.400 62.031 1.369 1
1 744 . 13 1 1 A 59 59 PRO CB C 59 31.100 31.619 -0.519 1
1 1 . 14 1 1 A 3 3 SER HA H 3 4.520 4.596 -0.076 1
1 4 . 14 1 1 A 3 3 SER C C 3 174.700 174.731 -0.031 1
1 5 . 14 1 1 A 3 3 SER CA C 3 58.400 58.232 0.168 1
1 6 . 14 1 1 A 3 3 SER CB C 3 64.000 63.633 0.367 1
1 7 . 14 1 1 A 4 4 GLY H H 4 8.350 7.964 0.386 1
1 8 . 14 1 1 A 4 4 GLY HA2 H 4 3.910 4.028 -0.118 1
1 9 . 14 1 1 A 4 4 GLY HA3 H 4 4.050 4.033 0.017 1
1 10 . 14 1 1 A 4 4 GLY C C 4 173.800 174.601 -0.801 1
1 11 . 14 1 1 A 4 4 GLY CA C 4 45.300 45.423 -0.123 1
1 12 . 14 1 1 A 4 4 GLY N N 4 110.300 109.140 1.160 1
1 13 . 14 1 1 A 5 5 LYS H H 5 8.110 8.021 0.089 1
1 14 . 14 1 1 A 5 5 LYS HA H 5 4.310 4.712 -0.402 1
1 23 . 14 1 1 A 5 5 LYS C C 5 175.700 175.438 0.262 1
1 24 . 14 1 1 A 5 5 LYS CA C 5 56.100 54.712 1.388 1
1 25 . 14 1 1 A 5 5 LYS CB C 5 33.200 34.819 -1.619 1
1 29 . 14 1 1 A 5 5 LYS N N 5 120.500 120.444 0.056 1
1 30 . 14 1 1 A 6 6 LYS H H 6 7.980 8.702 -0.722 1
1 31 . 14 1 1 A 6 6 LYS HA H 6 4.730 4.894 -0.164 1
1 40 . 14 1 1 A 6 6 LYS C C 6 174.800 174.476 0.324 1
1 41 . 14 1 1 A 6 6 LYS CA C 6 54.000 53.137 0.863 1
1 42 . 14 1 1 A 6 6 LYS CB C 6 33.300 36.548 -3.248 1
1 46 . 14 1 1 A 6 6 LYS N N 6 121.900 122.922 -1.022 1
1 47 . 14 1 1 A 7 7 PRO HA H 7 4.610 5.177 -0.567 1
1 54 . 14 1 1 A 7 7 PRO C C 7 175.900 175.591 0.309 1
1 55 . 14 1 1 A 7 7 PRO CA C 7 62.500 62.519 -0.019 1
1 56 . 14 1 1 A 7 7 PRO CB C 7 32.600 31.783 0.817 1
1 59 . 14 1 1 A 8 8 VAL H H 8 9.040 8.795 0.245 1
1 60 . 14 1 1 A 8 8 VAL HA H 8 4.430 4.596 -0.166 1
1 68 . 14 1 1 A 8 8 VAL C C 8 173.900 174.390 -0.490 1
1 69 . 14 1 1 A 8 8 VAL CA C 8 60.200 59.616 0.584 1
1 70 . 14 1 1 A 8 8 VAL CB C 8 35.600 34.512 1.088 1
1 73 . 14 1 1 A 8 8 VAL N N 8 119.900 122.364 -2.464 1
1 74 . 14 1 1 A 9 9 LYS H H 9 8.390 8.455 -0.065 1
1 75 . 14 1 1 A 9 9 LYS HA H 9 4.610 4.452 0.158 1
1 84 . 14 1 1 A 9 9 LYS C C 9 175.500 174.995 0.505 1
1 85 . 14 1 1 A 9 9 LYS CA C 9 56.800 56.663 0.137 1
1 86 . 14 1 1 A 9 9 LYS CB C 9 31.700 32.682 -0.982 1
1 90 . 14 1 1 A 9 9 LYS N N 9 125.800 128.671 -2.871 1
1 91 . 14 1 1 A 10 10 VAL H H 10 8.740 8.554 0.186 1
1 92 . 14 1 1 A 10 10 VAL HA H 10 4.040 4.636 -0.596 1
1 100 . 14 1 1 A 10 10 VAL C C 10 173.600 173.506 0.094 1
1 101 . 14 1 1 A 10 10 VAL CA C 10 58.600 59.144 -0.544 1
1 102 . 14 1 1 A 10 10 VAL CB C 10 35.200 35.325 -0.125 1
1 105 . 14 1 1 A 10 10 VAL N N 10 120.700 125.932 -5.232 1
1 106 . 14 1 1 A 11 11 LYS H H 11 7.320 8.104 -0.784 1
1 107 . 14 1 1 A 11 11 LYS HA H 11 5.000 4.571 0.429 1
1 116 . 14 1 1 A 11 11 LYS C C 11 176.600 176.648 -0.048 1
1 117 . 14 1 1 A 11 11 LYS CA C 11 54.800 55.072 -0.272 1
1 118 . 14 1 1 A 11 11 LYS CB C 11 33.700 33.795 -0.095 1
1 122 . 14 1 1 A 11 11 LYS N N 11 120.600 125.668 -5.068 1
1 123 . 14 1 1 A 12 12 THR H H 12 8.950 9.215 -0.265 1
1 124 . 14 1 1 A 12 12 THR HA H 12 3.700 4.152 -0.452 1
1 129 . 14 1 1 A 12 12 THR C C 12 175.100 174.910 0.190 1
1 130 . 14 1 1 A 12 12 THR CA C 12 59.700 59.211 0.489 1
1 131 . 14 1 1 A 12 12 THR CB C 12 67.700 69.270 -1.570 1
1 133 . 14 1 1 A 12 12 THR N N 12 115.400 114.779 0.621 1
1 134 . 14 1 1 A 13 13 PRO HA H 13 4.180 4.360 -0.180 1
1 141 . 14 1 1 A 13 13 PRO C C 13 177.000 177.254 -0.254 1
1 142 . 14 1 1 A 13 13 PRO CA C 13 65.000 64.119 0.881 1
1 143 . 14 1 1 A 13 13 PRO CB C 13 31.400 31.581 -0.181 1
1 146 . 14 1 1 A 14 14 ALA H H 14 7.240 7.539 -0.299 1
1 147 . 14 1 1 A 14 14 ALA HA H 14 4.310 4.207 0.103 1
1 151 . 14 1 1 A 14 14 ALA C C 14 177.900 177.633 0.267 1
1 152 . 14 1 1 A 14 14 ALA CA C 14 52.200 52.354 -0.154 1
1 153 . 14 1 1 A 14 14 ALA CB C 14 19.000 19.300 -0.300 1
1 154 . 14 1 1 A 14 14 ALA N N 14 116.100 118.365 -2.265 1
1 155 . 14 1 1 A 15 15 GLY H H 15 8.310 7.695 0.615 1
1 156 . 14 1 1 A 15 15 GLY HA2 H 15 3.520 3.884 -0.364 1
1 157 . 14 1 1 A 15 15 GLY HA3 H 15 4.220 3.890 0.330 1
1 158 . 14 1 1 A 15 15 GLY C C 15 174.000 174.325 -0.325 1
1 159 . 14 1 1 A 15 15 GLY CA C 15 45.300 44.950 0.350 1
1 160 . 14 1 1 A 15 15 GLY N N 15 107.000 106.572 0.428 1
1 161 . 14 1 1 A 16 16 LYS H H 16 6.960 7.761 -0.801 1
1 162 . 14 1 1 A 16 16 LYS HA H 16 4.490 4.354 0.136 1
1 171 . 14 1 1 A 16 16 LYS C C 16 175.400 175.308 0.092 1
1 172 . 14 1 1 A 16 16 LYS CA C 16 54.800 55.980 -1.180 1
1 173 . 14 1 1 A 16 16 LYS CB C 16 33.900 33.570 0.330 1
1 177 . 14 1 1 A 16 16 LYS N N 16 119.200 119.433 -0.233 1
1 178 . 14 1 1 A 17 17 GLU H H 17 8.520 8.588 -0.068 1
1 179 . 14 1 1 A 17 17 GLU HA H 17 4.990 5.196 -0.206 1
1 184 . 14 1 1 A 17 17 GLU C C 17 175.800 175.001 0.799 1
1 185 . 14 1 1 A 17 17 GLU CA C 17 55.900 54.933 0.967 1
1 186 . 14 1 1 A 17 17 GLU CB C 17 30.900 33.137 -2.237 1
1 188 . 14 1 1 A 17 17 GLU N N 17 122.200 121.129 1.071 1
1 189 . 14 1 1 A 18 18 ALA H H 18 8.870 8.714 0.156 1
1 190 . 14 1 1 A 18 18 ALA HA H 18 4.620 4.722 -0.102 1
1 194 . 14 1 1 A 18 18 ALA C C 18 174.600 176.256 -1.656 1
1 195 . 14 1 1 A 18 18 ALA CA C 18 51.000 51.103 -0.103 1
1 196 . 14 1 1 A 18 18 ALA CB C 18 22.300 23.132 -0.832 1
1 197 . 14 1 1 A 18 18 ALA N N 18 127.200 127.100 0.100 1
1 198 . 14 1 1 A 19 19 GLU H H 19 8.450 8.481 -0.031 1
1 199 . 14 1 1 A 19 19 GLU HA H 19 4.830 4.885 -0.055 1
1 204 . 14 1 1 A 19 19 GLU C C 19 175.200 175.302 -0.102 1
1 205 . 14 1 1 A 19 19 GLU CA C 19 55.400 55.957 -0.557 1
1 206 . 14 1 1 A 19 19 GLU CB C 19 30.100 30.244 -0.144 1
1 208 . 14 1 1 A 19 19 GLU N N 19 121.700 119.857 1.843 1
1 209 . 14 1 1 A 20 20 LEU H H 20 8.470 8.816 -0.346 1
1 210 . 14 1 1 A 20 20 LEU HA H 20 5.030 5.052 -0.022 1
1 220 . 14 1 1 A 20 20 LEU C C 20 175.600 175.348 0.252 1
1 221 . 14 1 1 A 20 20 LEU CA C 20 53.000 53.465 -0.465 1
1 222 . 14 1 1 A 20 20 LEU CB C 20 47.600 45.084 2.516 1
1 226 . 14 1 1 A 20 20 LEU N N 20 124.600 126.138 -1.538 1
1 227 . 14 1 1 A 21 21 VAL H H 21 8.880 9.041 -0.161 1
1 228 . 14 1 1 A 21 21 VAL HA H 21 4.540 4.744 -0.204 1
1 236 . 14 1 1 A 21 21 VAL C C 21 175.000 174.303 0.697 1
1 237 . 14 1 1 A 21 21 VAL CA C 21 59.400 59.730 -0.330 1
1 238 . 14 1 1 A 21 21 VAL CB C 21 33.300 33.508 -0.208 1
1 241 . 14 1 1 A 21 21 VAL N N 21 123.200 124.295 -1.095 1
1 242 . 14 1 1 A 22 22 PRO HA H 22 3.520 4.364 -0.844 1
1 249 . 14 1 1 A 22 22 PRO C C 22 176.300 177.391 -1.091 1
1 250 . 14 1 1 A 22 22 PRO CA C 22 62.600 62.307 0.293 1
1 251 . 14 1 1 A 22 22 PRO CB C 22 30.800 32.000 -1.200 1
1 254 . 14 1 1 A 23 23 GLU H H 23 8.830 9.445 -0.615 1
1 255 . 14 1 1 A 23 23 GLU HA H 23 4.070 4.223 -0.153 1
1 260 . 14 1 1 A 23 23 GLU C C 23 176.700 176.627 0.073 1
1 261 . 14 1 1 A 23 23 GLU CA C 23 57.700 59.095 -1.395 1
1 262 . 14 1 1 A 23 23 GLU CB C 23 30.900 31.438 -0.538 1
1 264 . 14 1 1 A 23 23 GLU N N 23 121.200 120.252 0.948 1
1 265 . 14 1 1 A 24 24 LYS H H 24 7.120 7.714 -0.594 1
1 266 . 14 1 1 A 24 24 LYS HA H 24 4.480 4.867 -0.387 1
1 275 . 14 1 1 A 24 24 LYS C C 24 173.900 174.715 -0.815 1
1 276 . 14 1 1 A 24 24 LYS CA C 24 55.000 55.129 -0.129 1
1 277 . 14 1 1 A 24 24 LYS CB C 24 36.800 35.649 1.151 1
1 281 . 14 1 1 A 24 24 LYS N N 24 114.600 114.760 -0.160 1
1 282 . 14 1 1 A 25 25 VAL H H 25 8.240 8.792 -0.552 1
1 283 . 14 1 1 A 25 25 VAL HA H 25 5.030 5.018 0.012 1
1 291 . 14 1 1 A 25 25 VAL C C 25 174.500 174.856 -0.356 1
1 292 . 14 1 1 A 25 25 VAL CA C 25 60.200 59.981 0.219 1
1 293 . 14 1 1 A 25 25 VAL CB C 25 35.400 34.802 0.598 1
1 296 . 14 1 1 A 25 25 VAL N N 25 117.400 117.378 0.022 1
1 297 . 14 1 1 A 26 26 TRP H H 26 9.130 8.893 0.237 1
1 298 . 14 1 1 A 26 26 TRP HA H 26 4.880 5.522 -0.642 1
1 307 . 14 1 1 A 26 26 TRP C C 26 172.600 173.103 -0.503 1
1 308 . 14 1 1 A 26 26 TRP CA C 26 57.800 55.417 2.383 1
1 309 . 14 1 1 A 26 26 TRP CB C 26 31.500 32.336 -0.836 1
1 315 . 14 1 1 A 26 26 TRP N N 26 122.500 121.303 1.197 1
1 317 . 14 1 1 A 27 27 ALA H H 27 8.640 9.074 -0.434 1
1 318 . 14 1 1 A 27 27 ALA HA H 27 5.170 5.394 -0.224 1
1 322 . 14 1 1 A 27 27 ALA C C 27 177.000 176.223 0.777 1
1 323 . 14 1 1 A 27 27 ALA CA C 27 50.500 49.799 0.701 1
1 324 . 14 1 1 A 27 27 ALA CB C 27 21.000 23.105 -2.105 1
1 325 . 14 1 1 A 27 27 ALA N N 27 122.200 122.986 -0.786 1
1 326 . 14 1 1 A 28 28 LEU H H 28 8.860 9.383 -0.523 1
1 327 . 14 1 1 A 28 28 LEU HA H 28 4.590 4.881 -0.291 1
1 337 . 14 1 1 A 28 28 LEU C C 28 176.100 175.129 0.971 1
1 338 . 14 1 1 A 28 28 LEU CA C 28 54.500 54.246 0.254 1
1 339 . 14 1 1 A 28 28 LEU CB C 28 43.100 42.641 0.459 1
1 343 . 14 1 1 A 28 28 LEU N N 28 123.300 121.120 2.180 1
1 344 . 14 1 1 A 29 29 ALA H H 29 8.540 8.519 0.021 1
1 345 . 14 1 1 A 29 29 ALA HA H 29 4.820 4.904 -0.084 1
1 349 . 14 1 1 A 29 29 ALA C C 29 174.300 174.916 -0.616 1
1 350 . 14 1 1 A 29 29 ALA CA C 29 50.000 49.560 0.440 1
1 351 . 14 1 1 A 29 29 ALA CB C 29 19.000 20.137 -1.137 1
1 352 . 14 1 1 A 29 29 ALA N N 29 125.900 127.405 -1.505 1
1 353 . 14 1 1 A 30 30 PRO HA H 30 4.440 4.726 -0.286 1
1 360 . 14 1 1 A 30 30 PRO C C 30 176.800 176.598 0.202 1
1 361 . 14 1 1 A 30 30 PRO CA C 30 62.600 62.423 0.177 1
1 362 . 14 1 1 A 30 30 PRO CB C 30 31.900 32.440 -0.540 1
1 365 . 14 1 1 A 31 31 LYS H H 31 8.370 8.615 -0.245 1
1 366 . 14 1 1 A 31 31 LYS HA H 31 4.170 3.866 0.304 1
1 375 . 14 1 1 A 31 31 LYS C C 31 177.700 177.538 0.162 1
1 376 . 14 1 1 A 31 31 LYS CA C 31 57.300 58.389 -1.089 1
1 377 . 14 1 1 A 31 31 LYS CB C 31 32.000 32.095 -0.095 1
1 381 . 14 1 1 A 31 31 LYS N N 31 121.500 122.269 -0.769 1
1 382 . 14 1 1 A 32 32 GLY H H 32 8.720 8.762 -0.042 1
1 383 . 14 1 1 A 32 32 GLY HA2 H 32 3.780 3.979 -0.199 1
1 384 . 14 1 1 A 32 32 GLY HA3 H 32 4.120 3.979 0.141 1
1 385 . 14 1 1 A 32 32 GLY C C 32 173.900 173.820 0.080 1
1 386 . 14 1 1 A 32 32 GLY CA C 32 45.700 45.547 0.153 1
1 387 . 14 1 1 A 32 32 GLY N N 32 112.200 113.501 -1.301 1
1 388 . 14 1 1 A 33 33 ARG H H 33 7.790 8.226 -0.436 1
1 389 . 14 1 1 A 33 33 ARG HA H 33 4.590 4.499 0.091 1
1 396 . 14 1 1 A 33 33 ARG C C 33 175.200 176.009 -0.809 1
1 397 . 14 1 1 A 33 33 ARG CA C 33 54.700 57.135 -2.435 1
1 398 . 14 1 1 A 33 33 ARG CB C 33 32.300 32.758 -0.458 1
1 401 . 14 1 1 A 33 33 ARG N N 33 118.800 118.134 0.666 1
1 402 . 14 1 1 A 34 34 LYS H H 34 8.190 7.175 1.015 1
1 403 . 14 1 1 A 34 34 LYS HA H 34 4.280 4.833 -0.553 1
1 412 . 14 1 1 A 34 34 LYS C C 34 176.700 175.237 1.463 1
1 413 . 14 1 1 A 34 34 LYS CA C 34 56.800 54.437 2.363 1
1 414 . 14 1 1 A 34 34 LYS CB C 34 32.900 36.797 -3.897 1
1 418 . 14 1 1 A 34 34 LYS N N 34 120.600 116.689 3.911 1
1 419 . 14 1 1 A 35 35 GLY H H 35 8.490 8.450 0.040 1
1 420 . 14 1 1 A 35 35 GLY HA2 H 35 3.900 4.285 -0.385 1
1 421 . 14 1 1 A 35 35 GLY HA3 H 35 4.260 4.286 -0.026 1
1 422 . 14 1 1 A 35 35 GLY C C 35 173.200 173.985 -0.785 1
1 423 . 14 1 1 A 35 35 GLY CA C 35 45.500 45.768 -0.268 1
1 424 . 14 1 1 A 35 35 GLY N N 35 110.400 110.126 0.274 1
1 425 . 14 1 1 A 36 36 VAL H H 36 8.130 7.327 0.803 1
1 426 . 14 1 1 A 36 36 VAL HA H 36 4.380 4.177 0.203 1
1 434 . 14 1 1 A 36 36 VAL C C 36 174.100 175.047 -0.947 1
1 435 . 14 1 1 A 36 36 VAL CA C 36 61.500 61.577 -0.077 1
1 436 . 14 1 1 A 36 36 VAL CB C 36 34.700 33.015 1.685 1
1 438 . 14 1 1 A 36 36 VAL N N 36 119.000 117.857 1.143 1
1 439 . 14 1 1 A 37 37 LYS H H 37 9.020 8.380 0.640 1
1 440 . 14 1 1 A 37 37 LYS HA H 37 5.070 5.085 -0.015 1
1 449 . 14 1 1 A 37 37 LYS C C 37 174.700 175.158 -0.458 1
1 450 . 14 1 1 A 37 37 LYS CA C 37 55.400 54.499 0.901 1
1 451 . 14 1 1 A 37 37 LYS CB C 37 35.700 36.141 -0.441 1
1 455 . 14 1 1 A 37 37 LYS N N 37 125.600 121.319 4.281 1
1 456 . 14 1 1 A 38 38 ILE H H 38 8.860 8.658 0.202 1
1 457 . 14 1 1 A 38 38 ILE HA H 38 4.390 4.708 -0.318 1
1 467 . 14 1 1 A 38 38 ILE C C 38 173.100 174.097 -0.997 1
1 468 . 14 1 1 A 38 38 ILE CA C 38 59.000 59.173 -0.173 1
1 469 . 14 1 1 A 38 38 ILE CB C 38 40.900 41.810 -0.910 1
1 473 . 14 1 1 A 38 38 ILE N N 38 123.300 122.383 0.917 1
1 474 . 14 1 1 A 39 39 GLY H H 39 8.600 8.679 -0.079 1
1 475 . 14 1 1 A 39 39 GLY HA2 H 39 2.920 3.837 -0.917 1
1 476 . 14 1 1 A 39 39 GLY HA3 H 39 5.060 3.869 1.191 1
1 477 . 14 1 1 A 39 39 GLY C C 39 170.400 171.300 -0.900 1
1 478 . 14 1 1 A 39 39 GLY CA C 39 43.800 43.570 0.230 1
1 479 . 14 1 1 A 39 39 GLY N N 39 109.500 113.766 -4.266 1
1 480 . 14 1 1 A 40 40 LEU H H 40 8.090 8.721 -0.631 1
1 481 . 14 1 1 A 40 40 LEU HA H 40 4.870 4.990 -0.120 1
1 491 . 14 1 1 A 40 40 LEU C C 40 174.100 174.575 -0.475 1
1 492 . 14 1 1 A 40 40 LEU CA C 40 53.400 53.377 0.023 1
1 493 . 14 1 1 A 40 40 LEU CB C 40 45.500 44.061 1.439 1
1 497 . 14 1 1 A 40 40 LEU N N 40 122.200 124.255 -2.055 1
1 498 . 14 1 1 A 41 41 PHE H H 41 9.180 9.564 -0.384 1
1 499 . 14 1 1 A 41 41 PHE HA H 41 4.620 5.081 -0.461 1
1 507 . 14 1 1 A 41 41 PHE C C 41 173.000 173.925 -0.925 1
1 508 . 14 1 1 A 41 41 PHE CA C 41 56.000 56.021 -0.021 1
1 509 . 14 1 1 A 41 41 PHE CB C 41 43.400 43.103 0.297 1
1 515 . 14 1 1 A 41 41 PHE N N 41 124.600 125.570 -0.970 1
1 516 . 14 1 1 A 42 42 LYS H H 42 8.460 8.690 -0.230 1
1 517 . 14 1 1 A 42 42 LYS HA H 42 4.320 5.080 -0.760 1
1 526 . 14 1 1 A 42 42 LYS C C 42 175.800 174.942 0.858 1
1 527 . 14 1 1 A 42 42 LYS CA C 42 54.700 54.518 0.182 1
1 528 . 14 1 1 A 42 42 LYS CB C 42 34.500 35.667 -1.167 1
1 532 . 14 1 1 A 42 42 LYS N N 42 120.800 120.310 0.490 1
1 533 . 14 1 1 A 43 43 ASP H H 43 8.970 9.209 -0.239 1
1 534 . 14 1 1 A 43 43 ASP HA H 43 4.720 4.863 -0.143 1
1 537 . 14 1 1 A 43 43 ASP C C 43 175.800 175.980 -0.180 1
1 538 . 14 1 1 A 43 43 ASP CA C 43 52.100 51.893 0.207 1
1 539 . 14 1 1 A 43 43 ASP CB C 43 42.700 42.288 0.412 1
1 540 . 14 1 1 A 43 43 ASP N N 43 127.600 126.862 0.738 1
1 541 . 14 1 1 A 44 44 PRO HA H 44 4.320 4.498 -0.178 1
1 548 . 14 1 1 A 44 44 PRO C C 44 177.900 177.976 -0.076 1
1 549 . 14 1 1 A 44 44 PRO CA C 44 64.300 64.278 0.022 1
1 550 . 14 1 1 A 44 44 PRO CB C 44 32.300 31.756 0.544 1
1 553 . 14 1 1 A 45 45 GLU H H 45 8.320 8.300 0.020 1
1 554 . 14 1 1 A 45 45 GLU HA H 45 4.230 4.228 0.002 1
1 559 . 14 1 1 A 45 45 GLU C C 45 177.800 178.329 -0.529 1
1 560 . 14 1 1 A 45 45 GLU CA C 45 58.600 59.103 -0.503 1
1 561 . 14 1 1 A 45 45 GLU CB C 45 30.700 30.336 0.364 1
1 563 . 14 1 1 A 45 45 GLU N N 45 116.000 118.063 -2.063 1
1 564 . 14 1 1 A 46 46 THR H H 46 7.320 8.728 -1.408 1
1 565 . 14 1 1 A 46 46 THR HA H 46 4.460 4.398 0.062 1
1 570 . 14 1 1 A 46 46 THR C C 46 176.300 176.079 0.221 1
1 571 . 14 1 1 A 46 46 THR CA C 46 61.700 62.741 -1.041 1
1 572 . 14 1 1 A 46 46 THR CB C 46 71.500 70.370 1.130 1
1 574 . 14 1 1 A 46 46 THR N N 46 105.100 109.465 -4.365 1
1 575 . 14 1 1 A 47 47 GLY H H 47 8.550 8.018 0.532 1
1 576 . 14 1 1 A 47 47 GLY HA2 H 47 3.570 3.911 -0.341 1
1 577 . 14 1 1 A 47 47 GLY HA3 H 47 4.160 3.940 0.220 1
1 578 . 14 1 1 A 47 47 GLY C C 47 173.200 174.527 -1.327 1
1 579 . 14 1 1 A 47 47 GLY CA C 47 45.700 45.398 0.302 1
1 580 . 14 1 1 A 47 47 GLY N N 47 111.500 111.268 0.232 1
1 581 . 14 1 1 A 48 48 LYS H H 48 7.700 7.477 0.223 1
1 582 . 14 1 1 A 48 48 LYS HA H 48 4.410 4.599 -0.189 1
1 591 . 14 1 1 A 48 48 LYS C C 48 176.600 175.396 1.204 1
1 592 . 14 1 1 A 48 48 LYS CA C 48 55.800 55.898 -0.098 1
1 593 . 14 1 1 A 48 48 LYS CB C 48 33.900 33.433 0.467 1
1 597 . 14 1 1 A 48 48 LYS N N 48 118.800 119.156 -0.356 1
1 598 . 14 1 1 A 49 49 TYR H H 49 8.740 9.304 -0.564 1
1 599 . 14 1 1 A 49 49 TYR HA H 49 5.670 5.742 -0.072 1
1 606 . 14 1 1 A 49 49 TYR C C 49 177.400 175.680 1.720 1
1 607 . 14 1 1 A 49 49 TYR CA C 49 58.200 56.354 1.846 1
1 608 . 14 1 1 A 49 49 TYR CB C 49 40.300 40.135 0.165 1
1 613 . 14 1 1 A 49 49 TYR N N 49 121.100 121.098 0.002 1
1 614 . 14 1 1 A 50 50 PHE H H 50 9.630 9.184 0.446 1
1 615 . 14 1 1 A 50 50 PHE HA H 50 5.150 5.541 -0.391 1
1 623 . 14 1 1 A 50 50 PHE C C 50 172.500 173.400 -0.900 1
1 624 . 14 1 1 A 50 50 PHE CA C 50 56.200 55.467 0.733 1
1 625 . 14 1 1 A 50 50 PHE CB C 50 41.400 42.592 -1.192 1
1 631 . 14 1 1 A 50 50 PHE N N 50 118.400 119.403 -1.003 1
1 632 . 14 1 1 A 51 51 ARG H H 51 8.940 9.038 -0.098 1
1 633 . 14 1 1 A 51 51 ARG HA H 51 5.740 5.409 0.331 1
1 640 . 14 1 1 A 51 51 ARG C C 51 176.600 174.947 1.653 1
1 641 . 14 1 1 A 51 51 ARG CA C 51 54.900 55.233 -0.333 1
1 642 . 14 1 1 A 51 51 ARG CB C 51 32.700 31.495 1.205 1
1 645 . 14 1 1 A 51 51 ARG N N 51 120.700 120.152 0.548 1
1 646 . 14 1 1 A 52 52 HIS H H 52 9.130 9.162 -0.032 1
1 647 . 14 1 1 A 52 52 HIS HA H 52 4.730 5.376 -0.646 1
1 651 . 14 1 1 A 52 52 HIS C C 52 173.900 173.678 0.222 1
1 652 . 14 1 1 A 52 52 HIS CA C 52 56.600 54.773 1.827 1
1 653 . 14 1 1 A 52 52 HIS CB C 52 33.700 33.719 -0.019 1
1 655 . 14 1 1 A 52 52 HIS N N 52 120.400 123.932 -3.532 1
1 656 . 14 1 1 A 53 53 LYS H H 53 8.770 7.961 0.809 1
1 657 . 14 1 1 A 53 53 LYS HA H 53 4.590 4.209 0.381 1
1 666 . 14 1 1 A 53 53 LYS C C 53 176.700 176.120 0.580 1
1 667 . 14 1 1 A 53 53 LYS CA C 53 58.000 56.357 1.643 1
1 668 . 14 1 1 A 53 53 LYS CB C 53 33.300 32.566 0.734 1
1 672 . 14 1 1 A 53 53 LYS N N 53 127.500 120.125 7.375 1
1 673 . 14 1 1 A 54 54 LEU H H 54 8.690 9.100 -0.410 1
1 674 . 14 1 1 A 54 54 LEU HA H 54 4.830 4.763 0.067 1
1 684 . 14 1 1 A 54 54 LEU C C 54 173.900 174.514 -0.614 1
1 685 . 14 1 1 A 54 54 LEU CA C 54 51.700 52.808 -1.108 1
1 686 . 14 1 1 A 54 54 LEU CB C 54 41.400 41.737 -0.337 1
1 690 . 14 1 1 A 54 54 LEU N N 54 125.400 124.468 0.932 1
1 691 . 14 1 1 A 55 55 PRO HA H 55 4.420 4.631 -0.211 1
1 698 . 14 1 1 A 55 55 PRO C C 55 177.100 177.440 -0.340 1
1 699 . 14 1 1 A 55 55 PRO CA C 55 62.900 62.859 0.041 1
1 700 . 14 1 1 A 55 55 PRO CB C 55 32.500 32.371 0.129 1
1 703 . 14 1 1 A 56 56 ASP H H 56 8.740 8.731 0.009 1
1 704 . 14 1 1 A 56 56 ASP HA H 56 4.440 4.340 0.100 1
1 707 . 14 1 1 A 56 56 ASP C C 56 177.200 177.373 -0.173 1
1 708 . 14 1 1 A 56 56 ASP CA C 56 57.500 56.885 0.615 1
1 709 . 14 1 1 A 56 56 ASP CB C 56 40.500 40.611 -0.111 1
1 710 . 14 1 1 A 56 56 ASP N N 56 120.700 122.323 -1.623 1
1 711 . 14 1 1 A 57 57 ASP H H 57 8.350 7.870 0.480 1
1 712 . 14 1 1 A 57 57 ASP HA H 57 4.620 4.695 -0.075 1
1 715 . 14 1 1 A 57 57 ASP C C 57 176.300 176.016 0.284 1
1 716 . 14 1 1 A 57 57 ASP CA C 57 52.600 54.876 -2.276 1
1 717 . 14 1 1 A 57 57 ASP CB C 57 39.500 41.167 -1.667 1
1 718 . 14 1 1 A 57 57 ASP N N 57 116.400 117.434 -1.034 1
1 719 . 14 1 1 A 58 58 TYR H H 58 7.890 7.842 0.048 1
1 720 . 14 1 1 A 58 58 TYR HA H 58 4.350 4.777 -0.427 1
1 727 . 14 1 1 A 58 58 TYR C C 58 174.400 174.584 -0.184 1
1 728 . 14 1 1 A 58 58 TYR CA C 58 58.400 57.046 1.354 1
1 729 . 14 1 1 A 58 58 TYR CB C 58 40.300 39.778 0.522 1
1 734 . 14 1 1 A 58 58 TYR N N 58 125.500 123.851 1.649 1
1 735 . 14 1 1 A 59 59 PRO HA H 59 4.360 4.660 -0.300 1
1 742 . 14 1 1 A 59 59 PRO C C 59 174.700 176.495 -1.795 1
1 743 . 14 1 1 A 59 59 PRO CA C 59 63.400 62.229 1.171 1
1 744 . 14 1 1 A 59 59 PRO CB C 59 31.100 31.674 -0.574 1
1 1 . 15 1 1 A 3 3 SER HA H 3 4.520 4.921 -0.401 1
1 4 . 15 1 1 A 3 3 SER C C 3 174.700 174.763 -0.063 1
1 5 . 15 1 1 A 3 3 SER CA C 3 58.400 57.497 0.903 1
1 6 . 15 1 1 A 3 3 SER CB C 3 64.000 62.511 1.489 1
1 7 . 15 1 1 A 4 4 GLY H H 4 8.350 8.762 -0.412 1
1 8 . 15 1 1 A 4 4 GLY HA2 H 4 3.910 3.970 -0.060 1
1 9 . 15 1 1 A 4 4 GLY HA3 H 4 4.050 3.972 0.078 1
1 10 . 15 1 1 A 4 4 GLY C C 4 173.800 173.548 0.252 1
1 11 . 15 1 1 A 4 4 GLY CA C 4 45.300 45.225 0.075 1
1 12 . 15 1 1 A 4 4 GLY N N 4 110.300 115.818 -5.518 1
1 13 . 15 1 1 A 5 5 LYS H H 5 8.110 8.437 -0.327 1
1 14 . 15 1 1 A 5 5 LYS HA H 5 4.310 4.649 -0.339 1
1 23 . 15 1 1 A 5 5 LYS C C 5 175.700 175.787 -0.087 1
1 24 . 15 1 1 A 5 5 LYS CA C 5 56.100 55.806 0.294 1
1 25 . 15 1 1 A 5 5 LYS CB C 5 33.200 33.671 -0.471 1
1 29 . 15 1 1 A 5 5 LYS N N 5 120.500 122.806 -2.306 1
1 30 . 15 1 1 A 6 6 LYS H H 6 7.980 8.704 -0.724 1
1 31 . 15 1 1 A 6 6 LYS HA H 6 4.730 4.950 -0.220 1
1 40 . 15 1 1 A 6 6 LYS C C 6 174.800 174.192 0.608 1
1 41 . 15 1 1 A 6 6 LYS CA C 6 54.000 53.457 0.543 1
1 42 . 15 1 1 A 6 6 LYS CB C 6 33.300 33.667 -0.367 1
1 46 . 15 1 1 A 6 6 LYS N N 6 121.900 123.563 -1.663 1
1 47 . 15 1 1 A 7 7 PRO HA H 7 4.610 5.279 -0.669 1
1 54 . 15 1 1 A 7 7 PRO C C 7 175.900 175.729 0.171 1
1 55 . 15 1 1 A 7 7 PRO CA C 7 62.500 62.268 0.232 1
1 56 . 15 1 1 A 7 7 PRO CB C 7 32.600 31.990 0.610 1
1 59 . 15 1 1 A 8 8 VAL H H 8 9.040 8.589 0.451 1
1 60 . 15 1 1 A 8 8 VAL HA H 8 4.430 4.652 -0.222 1
1 68 . 15 1 1 A 8 8 VAL C C 8 173.900 175.077 -1.177 1
1 69 . 15 1 1 A 8 8 VAL CA C 8 60.200 59.935 0.265 1
1 70 . 15 1 1 A 8 8 VAL CB C 8 35.600 33.691 1.909 1
1 73 . 15 1 1 A 8 8 VAL N N 8 119.900 122.273 -2.373 1
1 74 . 15 1 1 A 9 9 LYS H H 9 8.390 8.494 -0.104 1
1 75 . 15 1 1 A 9 9 LYS HA H 9 4.610 4.425 0.185 1
1 84 . 15 1 1 A 9 9 LYS C C 9 175.500 175.178 0.322 1
1 85 . 15 1 1 A 9 9 LYS CA C 9 56.800 56.363 0.437 1
1 86 . 15 1 1 A 9 9 LYS CB C 9 31.700 32.827 -1.127 1
1 90 . 15 1 1 A 9 9 LYS N N 9 125.800 129.054 -3.254 1
1 91 . 15 1 1 A 10 10 VAL H H 10 8.740 8.846 -0.106 1
1 92 . 15 1 1 A 10 10 VAL HA H 10 4.040 4.674 -0.634 1
1 100 . 15 1 1 A 10 10 VAL C C 10 173.600 174.322 -0.722 1
1 101 . 15 1 1 A 10 10 VAL CA C 10 58.600 59.085 -0.485 1
1 102 . 15 1 1 A 10 10 VAL CB C 10 35.200 35.303 -0.103 1
1 105 . 15 1 1 A 10 10 VAL N N 10 120.700 126.183 -5.483 1
1 106 . 15 1 1 A 11 11 LYS H H 11 7.320 7.898 -0.578 1
1 107 . 15 1 1 A 11 11 LYS HA H 11 5.000 4.578 0.422 1
1 116 . 15 1 1 A 11 11 LYS C C 11 176.600 176.993 -0.393 1
1 117 . 15 1 1 A 11 11 LYS CA C 11 54.800 55.939 -1.139 1
1 118 . 15 1 1 A 11 11 LYS CB C 11 33.700 33.291 0.409 1
1 122 . 15 1 1 A 11 11 LYS N N 11 120.600 125.774 -5.174 1
1 123 . 15 1 1 A 12 12 THR H H 12 8.950 9.127 -0.177 1
1 124 . 15 1 1 A 12 12 THR HA H 12 3.700 4.531 -0.831 1
1 129 . 15 1 1 A 12 12 THR C C 12 175.100 175.028 0.072 1
1 130 . 15 1 1 A 12 12 THR CA C 12 59.700 60.023 -0.323 1
1 131 . 15 1 1 A 12 12 THR CB C 12 67.700 68.793 -1.093 1
1 133 . 15 1 1 A 12 12 THR N N 12 115.400 117.721 -2.321 1
1 134 . 15 1 1 A 13 13 PRO HA H 13 4.180 4.244 -0.064 1
1 141 . 15 1 1 A 13 13 PRO C C 13 177.000 178.095 -1.095 1
1 142 . 15 1 1 A 13 13 PRO CA C 13 65.000 64.508 0.492 1
1 143 . 15 1 1 A 13 13 PRO CB C 13 31.400 31.580 -0.180 1
1 146 . 15 1 1 A 14 14 ALA H H 14 7.240 7.540 -0.300 1
1 147 . 15 1 1 A 14 14 ALA HA H 14 4.310 4.158 0.152 1
1 151 . 15 1 1 A 14 14 ALA C C 14 177.900 177.771 0.129 1
1 152 . 15 1 1 A 14 14 ALA CA C 14 52.200 52.929 -0.729 1
1 153 . 15 1 1 A 14 14 ALA CB C 14 19.000 19.308 -0.308 1
1 154 . 15 1 1 A 14 14 ALA N N 14 116.100 117.729 -1.629 1
1 155 . 15 1 1 A 15 15 GLY H H 15 8.310 7.684 0.626 1
1 156 . 15 1 1 A 15 15 GLY HA2 H 15 3.520 3.992 -0.472 1
1 157 . 15 1 1 A 15 15 GLY HA3 H 15 4.220 4.002 0.218 1
1 158 . 15 1 1 A 15 15 GLY C C 15 174.000 173.551 0.449 1
1 159 . 15 1 1 A 15 15 GLY CA C 15 45.300 45.173 0.127 1
1 160 . 15 1 1 A 15 15 GLY N N 15 107.000 106.321 0.679 1
1 161 . 15 1 1 A 16 16 LYS H H 16 6.960 7.522 -0.562 1
1 162 . 15 1 1 A 16 16 LYS HA H 16 4.490 4.879 -0.389 1
1 171 . 15 1 1 A 16 16 LYS C C 16 175.400 174.785 0.615 1
1 172 . 15 1 1 A 16 16 LYS CA C 16 54.800 54.152 0.648 1
1 173 . 15 1 1 A 16 16 LYS CB C 16 33.900 35.917 -2.017 1
1 177 . 15 1 1 A 16 16 LYS N N 16 119.200 115.388 3.812 1
1 178 . 15 1 1 A 17 17 GLU H H 17 8.520 8.421 0.099 1
1 179 . 15 1 1 A 17 17 GLU HA H 17 4.990 5.005 -0.015 1
1 184 . 15 1 1 A 17 17 GLU C C 17 175.800 176.359 -0.559 1
1 185 . 15 1 1 A 17 17 GLU CA C 17 55.900 56.067 -0.167 1
1 186 . 15 1 1 A 17 17 GLU CB C 17 30.900 30.275 0.625 1
1 188 . 15 1 1 A 17 17 GLU N N 17 122.200 120.502 1.698 1
1 189 . 15 1 1 A 18 18 ALA H H 18 8.870 8.962 -0.092 1
1 190 . 15 1 1 A 18 18 ALA HA H 18 4.620 5.084 -0.464 1
1 194 . 15 1 1 A 18 18 ALA C C 18 174.600 175.773 -1.173 1
1 195 . 15 1 1 A 18 18 ALA CA C 18 51.000 50.198 0.802 1
1 196 . 15 1 1 A 18 18 ALA CB C 18 22.300 23.285 -0.985 1
1 197 . 15 1 1 A 18 18 ALA N N 18 127.200 125.969 1.231 1
1 198 . 15 1 1 A 19 19 GLU H H 19 8.450 8.538 -0.088 1
1 199 . 15 1 1 A 19 19 GLU HA H 19 4.830 5.050 -0.220 1
1 204 . 15 1 1 A 19 19 GLU C C 19 175.200 175.083 0.117 1
1 205 . 15 1 1 A 19 19 GLU CA C 19 55.400 55.924 -0.524 1
1 206 . 15 1 1 A 19 19 GLU CB C 19 30.100 30.260 -0.160 1
1 208 . 15 1 1 A 19 19 GLU N N 19 121.700 121.778 -0.078 1
1 209 . 15 1 1 A 20 20 LEU H H 20 8.470 8.841 -0.371 1
1 210 . 15 1 1 A 20 20 LEU HA H 20 5.030 5.082 -0.052 1
1 220 . 15 1 1 A 20 20 LEU C C 20 175.600 175.537 0.063 1
1 221 . 15 1 1 A 20 20 LEU CA C 20 53.000 53.481 -0.481 1
1 222 . 15 1 1 A 20 20 LEU CB C 20 47.600 44.963 2.637 1
1 226 . 15 1 1 A 20 20 LEU N N 20 124.600 126.117 -1.517 1
1 227 . 15 1 1 A 21 21 VAL H H 21 8.880 8.864 0.016 1
1 228 . 15 1 1 A 21 21 VAL HA H 21 4.540 4.663 -0.123 1
1 236 . 15 1 1 A 21 21 VAL C C 21 175.000 174.260 0.740 1
1 237 . 15 1 1 A 21 21 VAL CA C 21 59.400 60.095 -0.695 1
1 238 . 15 1 1 A 21 21 VAL CB C 21 33.300 33.216 0.084 1
1 241 . 15 1 1 A 21 21 VAL N N 21 123.200 125.628 -2.428 1
1 242 . 15 1 1 A 22 22 PRO HA H 22 3.520 4.427 -0.907 1
1 249 . 15 1 1 A 22 22 PRO C C 22 176.300 177.731 -1.431 1
1 250 . 15 1 1 A 22 22 PRO CA C 22 62.600 62.574 0.026 1
1 251 . 15 1 1 A 22 22 PRO CB C 22 30.800 31.673 -0.873 1
1 254 . 15 1 1 A 23 23 GLU H H 23 8.830 9.122 -0.292 1
1 255 . 15 1 1 A 23 23 GLU HA H 23 4.070 4.173 -0.103 1
1 260 . 15 1 1 A 23 23 GLU C C 23 176.700 176.108 0.592 1
1 261 . 15 1 1 A 23 23 GLU CA C 23 57.700 59.754 -2.054 1
1 262 . 15 1 1 A 23 23 GLU CB C 23 30.900 30.351 0.549 1
1 264 . 15 1 1 A 23 23 GLU N N 23 121.200 122.599 -1.399 1
1 265 . 15 1 1 A 24 24 LYS H H 24 7.120 7.691 -0.571 1
1 266 . 15 1 1 A 24 24 LYS HA H 24 4.480 4.886 -0.406 1
1 275 . 15 1 1 A 24 24 LYS C C 24 173.900 174.635 -0.735 1
1 276 . 15 1 1 A 24 24 LYS CA C 24 55.000 55.183 -0.183 1
1 277 . 15 1 1 A 24 24 LYS CB C 24 36.800 35.730 1.070 1
1 281 . 15 1 1 A 24 24 LYS N N 24 114.600 114.751 -0.151 1
1 282 . 15 1 1 A 25 25 VAL H H 25 8.240 8.739 -0.499 1
1 283 . 15 1 1 A 25 25 VAL HA H 25 5.030 5.047 -0.017 1
1 291 . 15 1 1 A 25 25 VAL C C 25 174.500 174.754 -0.254 1
1 292 . 15 1 1 A 25 25 VAL CA C 25 60.200 59.870 0.330 1
1 293 . 15 1 1 A 25 25 VAL CB C 25 35.400 35.587 -0.187 1
1 296 . 15 1 1 A 25 25 VAL N N 25 117.400 116.345 1.055 1
1 297 . 15 1 1 A 26 26 TRP H H 26 9.130 8.926 0.204 1
1 298 . 15 1 1 A 26 26 TRP HA H 26 4.880 5.454 -0.574 1
1 307 . 15 1 1 A 26 26 TRP C C 26 172.600 173.526 -0.926 1
1 308 . 15 1 1 A 26 26 TRP CA C 26 57.800 55.461 2.339 1
1 309 . 15 1 1 A 26 26 TRP CB C 26 31.500 31.729 -0.229 1
1 315 . 15 1 1 A 26 26 TRP N N 26 122.500 120.752 1.748 1
1 317 . 15 1 1 A 27 27 ALA H H 27 8.640 8.902 -0.262 1
1 318 . 15 1 1 A 27 27 ALA HA H 27 5.170 5.246 -0.076 1
1 322 . 15 1 1 A 27 27 ALA C C 27 177.000 176.135 0.865 1
1 323 . 15 1 1 A 27 27 ALA CA C 27 50.500 50.972 -0.472 1
1 324 . 15 1 1 A 27 27 ALA CB C 27 21.000 22.912 -1.912 1
1 325 . 15 1 1 A 27 27 ALA N N 27 122.200 122.009 0.191 1
1 326 . 15 1 1 A 28 28 LEU H H 28 8.860 9.458 -0.598 1
1 327 . 15 1 1 A 28 28 LEU HA H 28 4.590 4.932 -0.342 1
1 337 . 15 1 1 A 28 28 LEU C C 28 176.100 174.895 1.205 1
1 338 . 15 1 1 A 28 28 LEU CA C 28 54.500 53.870 0.630 1
1 339 . 15 1 1 A 28 28 LEU CB C 28 43.100 42.108 0.992 1
1 343 . 15 1 1 A 28 28 LEU N N 28 123.300 121.656 1.644 1
1 344 . 15 1 1 A 29 29 ALA H H 29 8.540 8.730 -0.190 1
1 345 . 15 1 1 A 29 29 ALA HA H 29 4.820 5.014 -0.194 1
1 349 . 15 1 1 A 29 29 ALA C C 29 174.300 174.925 -0.625 1
1 350 . 15 1 1 A 29 29 ALA CA C 29 50.000 49.263 0.737 1
1 351 . 15 1 1 A 29 29 ALA CB C 29 19.000 20.175 -1.175 1
1 352 . 15 1 1 A 29 29 ALA N N 29 125.900 128.338 -2.438 1
1 353 . 15 1 1 A 30 30 PRO HA H 30 4.440 4.628 -0.188 1
1 360 . 15 1 1 A 30 30 PRO C C 30 176.800 176.055 0.745 1
1 361 . 15 1 1 A 30 30 PRO CA C 30 62.600 62.218 0.382 1
1 362 . 15 1 1 A 30 30 PRO CB C 30 31.900 32.441 -0.541 1
1 365 . 15 1 1 A 31 31 LYS H H 31 8.370 8.440 -0.070 1
1 366 . 15 1 1 A 31 31 LYS HA H 31 4.170 3.894 0.276 1
1 375 . 15 1 1 A 31 31 LYS C C 31 177.700 177.678 0.022 1
1 376 . 15 1 1 A 31 31 LYS CA C 31 57.300 58.183 -0.883 1
1 377 . 15 1 1 A 31 31 LYS CB C 31 32.000 32.324 -0.324 1
1 381 . 15 1 1 A 31 31 LYS N N 31 121.500 121.153 0.347 1
1 382 . 15 1 1 A 32 32 GLY H H 32 8.720 8.836 -0.116 1
1 383 . 15 1 1 A 32 32 GLY HA2 H 32 3.780 3.934 -0.154 1
1 384 . 15 1 1 A 32 32 GLY HA3 H 32 4.120 3.934 0.186 1
1 385 . 15 1 1 A 32 32 GLY C C 32 173.900 173.458 0.442 1
1 386 . 15 1 1 A 32 32 GLY CA C 32 45.700 45.895 -0.195 1
1 387 . 15 1 1 A 32 32 GLY N N 32 112.200 111.808 0.392 1
1 388 . 15 1 1 A 33 33 ARG H H 33 7.790 7.745 0.045 1
1 389 . 15 1 1 A 33 33 ARG HA H 33 4.590 4.682 -0.092 1
1 396 . 15 1 1 A 33 33 ARG C C 33 175.200 175.941 -0.741 1
1 397 . 15 1 1 A 33 33 ARG CA C 33 54.700 54.862 -0.162 1
1 398 . 15 1 1 A 33 33 ARG CB C 33 32.300 33.282 -0.982 1
1 401 . 15 1 1 A 33 33 ARG N N 33 118.800 119.413 -0.613 1
1 402 . 15 1 1 A 34 34 LYS H H 34 8.190 8.908 -0.718 1
1 403 . 15 1 1 A 34 34 LYS HA H 34 4.280 4.044 0.236 1
1 412 . 15 1 1 A 34 34 LYS C C 34 176.700 176.641 0.059 1
1 413 . 15 1 1 A 34 34 LYS CA C 34 56.800 58.069 -1.269 1
1 414 . 15 1 1 A 34 34 LYS CB C 34 32.900 33.670 -0.770 1
1 418 . 15 1 1 A 34 34 LYS N N 34 120.600 123.626 -3.026 1
1 419 . 15 1 1 A 35 35 GLY H H 35 8.490 7.580 0.910 1
1 420 . 15 1 1 A 35 35 GLY HA2 H 35 3.900 4.057 -0.157 1
1 421 . 15 1 1 A 35 35 GLY HA3 H 35 4.260 4.058 0.202 1
1 422 . 15 1 1 A 35 35 GLY C C 35 173.200 172.873 0.327 1
1 423 . 15 1 1 A 35 35 GLY CA C 35 45.500 44.967 0.533 1
1 424 . 15 1 1 A 35 35 GLY N N 35 110.400 106.310 4.090 1
1 425 . 15 1 1 A 36 36 VAL H H 36 8.130 8.358 -0.228 1
1 426 . 15 1 1 A 36 36 VAL HA H 36 4.380 4.447 -0.067 1
1 434 . 15 1 1 A 36 36 VAL C C 36 174.100 175.386 -1.286 1
1 435 . 15 1 1 A 36 36 VAL CA C 36 61.500 61.355 0.145 1
1 436 . 15 1 1 A 36 36 VAL CB C 36 34.700 31.998 2.702 1
1 438 . 15 1 1 A 36 36 VAL N N 36 119.000 121.704 -2.704 1
1 439 . 15 1 1 A 37 37 LYS H H 37 9.020 8.677 0.343 1
1 440 . 15 1 1 A 37 37 LYS HA H 37 5.070 4.714 0.356 1
1 449 . 15 1 1 A 37 37 LYS C C 37 174.700 175.465 -0.765 1
1 450 . 15 1 1 A 37 37 LYS CA C 37 55.400 55.512 -0.112 1
1 451 . 15 1 1 A 37 37 LYS CB C 37 35.700 34.172 1.528 1
1 455 . 15 1 1 A 37 37 LYS N N 37 125.600 126.398 -0.798 1
1 456 . 15 1 1 A 38 38 ILE H H 38 8.860 8.797 0.063 1
1 457 . 15 1 1 A 38 38 ILE HA H 38 4.390 4.704 -0.314 1
1 467 . 15 1 1 A 38 38 ILE C C 38 173.100 174.167 -1.067 1
1 468 . 15 1 1 A 38 38 ILE CA C 38 59.000 59.311 -0.311 1
1 469 . 15 1 1 A 38 38 ILE CB C 38 40.900 41.508 -0.608 1
1 473 . 15 1 1 A 38 38 ILE N N 38 123.300 123.512 -0.212 1
1 474 . 15 1 1 A 39 39 GLY H H 39 8.600 8.702 -0.102 1
1 475 . 15 1 1 A 39 39 GLY HA2 H 39 2.920 3.811 -0.891 1
1 476 . 15 1 1 A 39 39 GLY HA3 H 39 5.060 3.823 1.237 1
1 477 . 15 1 1 A 39 39 GLY C C 39 170.400 171.268 -0.868 1
1 478 . 15 1 1 A 39 39 GLY CA C 39 43.800 43.485 0.315 1
1 479 . 15 1 1 A 39 39 GLY N N 39 109.500 113.693 -4.193 1
1 480 . 15 1 1 A 40 40 LEU H H 40 8.090 8.584 -0.494 1
1 481 . 15 1 1 A 40 40 LEU HA H 40 4.870 4.802 0.068 1
1 491 . 15 1 1 A 40 40 LEU C C 40 174.100 174.589 -0.489 1
1 492 . 15 1 1 A 40 40 LEU CA C 40 53.400 53.504 -0.104 1
1 493 . 15 1 1 A 40 40 LEU CB C 40 45.500 44.179 1.321 1
1 497 . 15 1 1 A 40 40 LEU N N 40 122.200 124.316 -2.116 1
1 498 . 15 1 1 A 41 41 PHE H H 41 9.180 9.562 -0.382 1
1 499 . 15 1 1 A 41 41 PHE HA H 41 4.620 5.060 -0.440 1
1 507 . 15 1 1 A 41 41 PHE C C 41 173.000 173.818 -0.818 1
1 508 . 15 1 1 A 41 41 PHE CA C 41 56.000 56.029 -0.029 1
1 509 . 15 1 1 A 41 41 PHE CB C 41 43.400 43.223 0.177 1
1 515 . 15 1 1 A 41 41 PHE N N 41 124.600 125.371 -0.771 1
1 516 . 15 1 1 A 42 42 LYS H H 42 8.460 8.766 -0.306 1
1 517 . 15 1 1 A 42 42 LYS HA H 42 4.320 5.111 -0.791 1
1 526 . 15 1 1 A 42 42 LYS C C 42 175.800 175.032 0.768 1
1 527 . 15 1 1 A 42 42 LYS CA C 42 54.700 54.499 0.201 1
1 528 . 15 1 1 A 42 42 LYS CB C 42 34.500 35.532 -1.032 1
1 532 . 15 1 1 A 42 42 LYS N N 42 120.800 120.322 0.478 1
1 533 . 15 1 1 A 43 43 ASP H H 43 8.970 9.168 -0.198 1
1 534 . 15 1 1 A 43 43 ASP HA H 43 4.720 4.869 -0.149 1
1 537 . 15 1 1 A 43 43 ASP C C 43 175.800 175.753 0.047 1
1 538 . 15 1 1 A 43 43 ASP CA C 43 52.100 51.750 0.350 1
1 539 . 15 1 1 A 43 43 ASP CB C 43 42.700 42.179 0.521 1
1 540 . 15 1 1 A 43 43 ASP N N 43 127.600 126.973 0.627 1
1 541 . 15 1 1 A 44 44 PRO HA H 44 4.320 4.546 -0.226 1
1 548 . 15 1 1 A 44 44 PRO C C 44 177.900 177.185 0.715 1
1 549 . 15 1 1 A 44 44 PRO CA C 44 64.300 63.946 0.354 1
1 550 . 15 1 1 A 44 44 PRO CB C 44 32.300 31.977 0.323 1
1 553 . 15 1 1 A 45 45 GLU H H 45 8.320 8.340 -0.020 1
1 554 . 15 1 1 A 45 45 GLU HA H 45 4.230 4.337 -0.107 1
1 559 . 15 1 1 A 45 45 GLU C C 45 177.800 178.361 -0.561 1
1 560 . 15 1 1 A 45 45 GLU CA C 45 58.600 58.622 -0.022 1
1 561 . 15 1 1 A 45 45 GLU CB C 45 30.700 30.549 0.151 1
1 563 . 15 1 1 A 45 45 GLU N N 45 116.000 117.561 -1.561 1
1 564 . 15 1 1 A 46 46 THR H H 46 7.320 8.758 -1.438 1
1 565 . 15 1 1 A 46 46 THR HA H 46 4.460 4.426 0.034 1
1 570 . 15 1 1 A 46 46 THR C C 46 176.300 176.004 0.296 1
1 571 . 15 1 1 A 46 46 THR CA C 46 61.700 62.485 -0.785 1
1 572 . 15 1 1 A 46 46 THR CB C 46 71.500 70.588 0.912 1
1 574 . 15 1 1 A 46 46 THR N N 46 105.100 108.248 -3.148 1
1 575 . 15 1 1 A 47 47 GLY H H 47 8.550 8.682 -0.132 1
1 576 . 15 1 1 A 47 47 GLY HA2 H 47 3.570 3.932 -0.362 1
1 577 . 15 1 1 A 47 47 GLY HA3 H 47 4.160 3.942 0.218 1
1 578 . 15 1 1 A 47 47 GLY C C 47 173.200 173.859 -0.659 1
1 579 . 15 1 1 A 47 47 GLY CA C 47 45.700 45.892 -0.192 1
1 580 . 15 1 1 A 47 47 GLY N N 47 111.500 112.078 -0.578 1
1 581 . 15 1 1 A 48 48 LYS H H 48 7.700 7.753 -0.053 1
1 582 . 15 1 1 A 48 48 LYS HA H 48 4.410 5.102 -0.692 1
1 591 . 15 1 1 A 48 48 LYS C C 48 176.600 174.670 1.930 1
1 592 . 15 1 1 A 48 48 LYS CA C 48 55.800 54.438 1.362 1
1 593 . 15 1 1 A 48 48 LYS CB C 48 33.900 35.604 -1.704 1
1 597 . 15 1 1 A 48 48 LYS N N 48 118.800 115.729 3.071 1
1 598 . 15 1 1 A 49 49 TYR H H 49 8.740 8.973 -0.233 1
1 599 . 15 1 1 A 49 49 TYR HA H 49 5.670 5.399 0.271 1
1 606 . 15 1 1 A 49 49 TYR C C 49 177.400 175.985 1.415 1
1 607 . 15 1 1 A 49 49 TYR CA C 49 58.200 57.743 0.457 1
1 608 . 15 1 1 A 49 49 TYR CB C 49 40.300 39.383 0.917 1
1 613 . 15 1 1 A 49 49 TYR N N 49 121.100 122.012 -0.912 1
1 614 . 15 1 1 A 50 50 PHE H H 50 9.630 9.431 0.199 1
1 615 . 15 1 1 A 50 50 PHE HA H 50 5.150 5.711 -0.561 1
1 623 . 15 1 1 A 50 50 PHE C C 50 172.500 173.444 -0.944 1
1 624 . 15 1 1 A 50 50 PHE CA C 50 56.200 55.239 0.961 1
1 625 . 15 1 1 A 50 50 PHE CB C 50 41.400 42.814 -1.414 1
1 631 . 15 1 1 A 50 50 PHE N N 50 118.400 120.128 -1.728 1
1 632 . 15 1 1 A 51 51 ARG H H 51 8.940 8.889 0.051 1
1 633 . 15 1 1 A 51 51 ARG HA H 51 5.740 5.168 0.572 1
1 640 . 15 1 1 A 51 51 ARG C C 51 176.600 175.347 1.253 1
1 641 . 15 1 1 A 51 51 ARG CA C 51 54.900 55.663 -0.763 1
1 642 . 15 1 1 A 51 51 ARG CB C 51 32.700 31.640 1.060 1
1 645 . 15 1 1 A 51 51 ARG N N 51 120.700 119.597 1.103 1
1 646 . 15 1 1 A 52 52 HIS H H 52 9.130 9.002 0.128 1
1 647 . 15 1 1 A 52 52 HIS HA H 52 4.730 5.249 -0.519 1
1 651 . 15 1 1 A 52 52 HIS C C 52 173.900 173.464 0.436 1
1 652 . 15 1 1 A 52 52 HIS CA C 52 56.600 55.752 0.848 1
1 653 . 15 1 1 A 52 52 HIS CB C 52 33.700 33.766 -0.066 1
1 655 . 15 1 1 A 52 52 HIS N N 52 120.400 121.914 -1.514 1
1 656 . 15 1 1 A 53 53 LYS H H 53 8.770 7.944 0.826 1
1 657 . 15 1 1 A 53 53 LYS HA H 53 4.590 4.280 0.310 1
1 666 . 15 1 1 A 53 53 LYS C C 53 176.700 175.930 0.770 1
1 667 . 15 1 1 A 53 53 LYS CA C 53 58.000 56.283 1.717 1
1 668 . 15 1 1 A 53 53 LYS CB C 53 33.300 32.648 0.652 1
1 672 . 15 1 1 A 53 53 LYS N N 53 127.500 120.051 7.449 1
1 673 . 15 1 1 A 54 54 LEU H H 54 8.690 9.208 -0.518 1
1 674 . 15 1 1 A 54 54 LEU HA H 54 4.830 4.727 0.103 1
1 684 . 15 1 1 A 54 54 LEU C C 54 173.900 174.429 -0.529 1
1 685 . 15 1 1 A 54 54 LEU CA C 54 51.700 52.394 -0.694 1
1 686 . 15 1 1 A 54 54 LEU CB C 54 41.400 41.833 -0.433 1
1 690 . 15 1 1 A 54 54 LEU N N 54 125.400 124.444 0.956 1
1 691 . 15 1 1 A 55 55 PRO HA H 55 4.420 4.614 -0.194 1
1 698 . 15 1 1 A 55 55 PRO C C 55 177.100 177.118 -0.018 1
1 699 . 15 1 1 A 55 55 PRO CA C 55 62.900 62.899 0.001 1
1 700 . 15 1 1 A 55 55 PRO CB C 55 32.500 32.555 -0.055 1
1 703 . 15 1 1 A 56 56 ASP H H 56 8.740 8.774 -0.034 1
1 704 . 15 1 1 A 56 56 ASP HA H 56 4.440 4.324 0.116 1
1 707 . 15 1 1 A 56 56 ASP C C 56 177.200 176.859 0.341 1
1 708 . 15 1 1 A 56 56 ASP CA C 56 57.500 55.542 1.958 1
1 709 . 15 1 1 A 56 56 ASP CB C 56 40.500 39.893 0.607 1
1 710 . 15 1 1 A 56 56 ASP N N 56 120.700 123.565 -2.865 1
1 711 . 15 1 1 A 57 57 ASP H H 57 8.350 7.880 0.470 1
1 712 . 15 1 1 A 57 57 ASP HA H 57 4.620 4.703 -0.083 1
1 715 . 15 1 1 A 57 57 ASP C C 57 176.300 175.654 0.646 1
1 716 . 15 1 1 A 57 57 ASP CA C 57 52.600 54.318 -1.718 1
1 717 . 15 1 1 A 57 57 ASP CB C 57 39.500 41.152 -1.652 1
1 718 . 15 1 1 A 57 57 ASP N N 57 116.400 119.076 -2.676 1
1 719 . 15 1 1 A 58 58 TYR H H 58 7.890 7.722 0.168 1
1 720 . 15 1 1 A 58 58 TYR HA H 58 4.350 4.746 -0.396 1
1 727 . 15 1 1 A 58 58 TYR C C 58 174.400 174.587 -0.187 1
1 728 . 15 1 1 A 58 58 TYR CA C 58 58.400 57.174 1.226 1
1 729 . 15 1 1 A 58 58 TYR CB C 58 40.300 39.805 0.495 1
1 734 . 15 1 1 A 58 58 TYR N N 58 125.500 121.827 3.673 1
1 735 . 15 1 1 A 59 59 PRO HA H 59 4.360 4.695 -0.335 1
1 742 . 15 1 1 A 59 59 PRO C C 59 174.700 176.377 -1.677 1
1 743 . 15 1 1 A 59 59 PRO CA C 59 63.400 62.155 1.245 1
1 744 . 15 1 1 A 59 59 PRO CB C 59 31.100 31.498 -0.398 1
1 1 . 16 1 1 A 3 3 SER HA H 3 4.520 5.036 -0.516 1
1 4 . 16 1 1 A 3 3 SER C C 3 174.700 174.164 0.536 1
1 5 . 16 1 1 A 3 3 SER CA C 3 58.400 56.488 1.912 1
1 6 . 16 1 1 A 3 3 SER CB C 3 64.000 65.093 -1.093 1
1 7 . 16 1 1 A 4 4 GLY H H 4 8.350 8.637 -0.287 1
1 8 . 16 1 1 A 4 4 GLY HA2 H 4 3.910 3.990 -0.080 1
1 9 . 16 1 1 A 4 4 GLY HA3 H 4 4.050 3.995 0.055 1
1 10 . 16 1 1 A 4 4 GLY C C 4 173.800 174.597 -0.797 1
1 11 . 16 1 1 A 4 4 GLY CA C 4 45.300 46.496 -1.196 1
1 12 . 16 1 1 A 4 4 GLY N N 4 110.300 115.102 -4.802 1
1 13 . 16 1 1 A 5 5 LYS H H 5 8.110 7.966 0.144 1
1 14 . 16 1 1 A 5 5 LYS HA H 5 4.310 3.925 0.385 1
1 23 . 16 1 1 A 5 5 LYS C C 5 175.700 175.229 0.471 1
1 24 . 16 1 1 A 5 5 LYS CA C 5 56.100 57.118 -1.018 1
1 25 . 16 1 1 A 5 5 LYS CB C 5 33.200 30.262 2.938 1
1 29 . 16 1 1 A 5 5 LYS N N 5 120.500 115.295 5.205 1
1 30 . 16 1 1 A 6 6 LYS H H 6 7.980 7.841 0.139 1
1 31 . 16 1 1 A 6 6 LYS HA H 6 4.730 4.830 -0.100 1
1 40 . 16 1 1 A 6 6 LYS C C 6 174.800 174.314 0.486 1
1 41 . 16 1 1 A 6 6 LYS CA C 6 54.000 53.071 0.929 1
1 42 . 16 1 1 A 6 6 LYS CB C 6 33.300 33.290 0.010 1
1 46 . 16 1 1 A 6 6 LYS N N 6 121.900 118.622 3.278 1
1 47 . 16 1 1 A 7 7 PRO HA H 7 4.610 5.059 -0.449 1
1 54 . 16 1 1 A 7 7 PRO C C 7 175.900 175.426 0.474 1
1 55 . 16 1 1 A 7 7 PRO CA C 7 62.500 62.536 -0.036 1
1 56 . 16 1 1 A 7 7 PRO CB C 7 32.600 32.401 0.199 1
1 59 . 16 1 1 A 8 8 VAL H H 8 9.040 8.787 0.253 1
1 60 . 16 1 1 A 8 8 VAL HA H 8 4.430 4.698 -0.268 1
1 68 . 16 1 1 A 8 8 VAL C C 8 173.900 174.513 -0.613 1
1 69 . 16 1 1 A 8 8 VAL CA C 8 60.200 59.644 0.556 1
1 70 . 16 1 1 A 8 8 VAL CB C 8 35.600 35.513 0.087 1
1 73 . 16 1 1 A 8 8 VAL N N 8 119.900 122.549 -2.649 1
1 74 . 16 1 1 A 9 9 LYS H H 9 8.390 8.424 -0.034 1
1 75 . 16 1 1 A 9 9 LYS HA H 9 4.610 4.609 0.001 1
1 84 . 16 1 1 A 9 9 LYS C C 9 175.500 175.468 0.032 1
1 85 . 16 1 1 A 9 9 LYS CA C 9 56.800 56.072 0.728 1
1 86 . 16 1 1 A 9 9 LYS CB C 9 31.700 33.060 -1.360 1
1 90 . 16 1 1 A 9 9 LYS N N 9 125.800 126.286 -0.486 1
1 91 . 16 1 1 A 10 10 VAL H H 10 8.740 8.956 -0.216 1
1 92 . 16 1 1 A 10 10 VAL HA H 10 4.040 4.680 -0.640 1
1 100 . 16 1 1 A 10 10 VAL C C 10 173.600 174.451 -0.851 1
1 101 . 16 1 1 A 10 10 VAL CA C 10 58.600 59.333 -0.733 1
1 102 . 16 1 1 A 10 10 VAL CB C 10 35.200 34.375 0.825 1
1 105 . 16 1 1 A 10 10 VAL N N 10 120.700 123.850 -3.150 1
1 106 . 16 1 1 A 11 11 LYS H H 11 7.320 7.957 -0.637 1
1 107 . 16 1 1 A 11 11 LYS HA H 11 5.000 4.538 0.462 1
1 116 . 16 1 1 A 11 11 LYS C C 11 176.600 176.984 -0.384 1
1 117 . 16 1 1 A 11 11 LYS CA C 11 54.800 55.939 -1.139 1
1 118 . 16 1 1 A 11 11 LYS CB C 11 33.700 32.881 0.819 1
1 122 . 16 1 1 A 11 11 LYS N N 11 120.600 126.009 -5.409 1
1 123 . 16 1 1 A 12 12 THR H H 12 8.950 9.258 -0.308 1
1 124 . 16 1 1 A 12 12 THR HA H 12 3.700 3.889 -0.189 1
1 129 . 16 1 1 A 12 12 THR C C 12 175.100 174.542 0.558 1
1 130 . 16 1 1 A 12 12 THR CA C 12 59.700 59.642 0.058 1
1 131 . 16 1 1 A 12 12 THR CB C 12 67.700 68.654 -0.954 1
1 133 . 16 1 1 A 12 12 THR N N 12 115.400 117.734 -2.334 1
1 134 . 16 1 1 A 13 13 PRO HA H 13 4.180 4.196 -0.016 1
1 141 . 16 1 1 A 13 13 PRO C C 13 177.000 177.114 -0.114 1
1 142 . 16 1 1 A 13 13 PRO CA C 13 65.000 64.615 0.385 1
1 143 . 16 1 1 A 13 13 PRO CB C 13 31.400 31.543 -0.143 1
1 146 . 16 1 1 A 14 14 ALA H H 14 7.240 7.463 -0.223 1
1 147 . 16 1 1 A 14 14 ALA HA H 14 4.310 4.219 0.091 1
1 151 . 16 1 1 A 14 14 ALA C C 14 177.900 177.610 0.290 1
1 152 . 16 1 1 A 14 14 ALA CA C 14 52.200 52.025 0.175 1
1 153 . 16 1 1 A 14 14 ALA CB C 14 19.000 19.349 -0.349 1
1 154 . 16 1 1 A 14 14 ALA N N 14 116.100 117.424 -1.324 1
1 155 . 16 1 1 A 15 15 GLY H H 15 8.310 9.058 -0.748 1
1 156 . 16 1 1 A 15 15 GLY HA2 H 15 3.520 3.872 -0.352 1
1 157 . 16 1 1 A 15 15 GLY HA3 H 15 4.220 3.885 0.335 1
1 158 . 16 1 1 A 15 15 GLY C C 15 174.000 173.649 0.351 1
1 159 . 16 1 1 A 15 15 GLY CA C 15 45.300 46.017 -0.717 1
1 160 . 16 1 1 A 15 15 GLY N N 15 107.000 107.434 -0.434 1
1 161 . 16 1 1 A 16 16 LYS H H 16 6.960 7.415 -0.455 1
1 162 . 16 1 1 A 16 16 LYS HA H 16 4.490 4.920 -0.430 1
1 171 . 16 1 1 A 16 16 LYS C C 16 175.400 174.425 0.975 1
1 172 . 16 1 1 A 16 16 LYS CA C 16 54.800 54.078 0.722 1
1 173 . 16 1 1 A 16 16 LYS CB C 16 33.900 36.373 -2.473 1
1 177 . 16 1 1 A 16 16 LYS N N 16 119.200 115.124 4.076 1
1 178 . 16 1 1 A 17 17 GLU H H 17 8.520 8.370 0.150 1
1 179 . 16 1 1 A 17 17 GLU HA H 17 4.990 5.359 -0.369 1
1 184 . 16 1 1 A 17 17 GLU C C 17 175.800 175.732 0.068 1
1 185 . 16 1 1 A 17 17 GLU CA C 17 55.900 54.909 0.991 1
1 186 . 16 1 1 A 17 17 GLU CB C 17 30.900 32.779 -1.879 1
1 188 . 16 1 1 A 17 17 GLU N N 17 122.200 119.649 2.551 1
1 189 . 16 1 1 A 18 18 ALA H H 18 8.870 8.548 0.322 1
1 190 . 16 1 1 A 18 18 ALA HA H 18 4.620 4.882 -0.262 1
1 194 . 16 1 1 A 18 18 ALA C C 18 174.600 174.876 -0.276 1
1 195 . 16 1 1 A 18 18 ALA CA C 18 51.000 51.126 -0.126 1
1 196 . 16 1 1 A 18 18 ALA CB C 18 22.300 23.093 -0.793 1
1 197 . 16 1 1 A 18 18 ALA N N 18 127.200 122.783 4.417 1
1 198 . 16 1 1 A 19 19 GLU H H 19 8.450 8.648 -0.198 1
1 199 . 16 1 1 A 19 19 GLU HA H 19 4.830 4.905 -0.075 1
1 204 . 16 1 1 A 19 19 GLU C C 19 175.200 175.493 -0.293 1
1 205 . 16 1 1 A 19 19 GLU CA C 19 55.400 55.267 0.133 1
1 206 . 16 1 1 A 19 19 GLU CB C 19 30.100 30.800 -0.700 1
1 208 . 16 1 1 A 19 19 GLU N N 19 121.700 121.759 -0.059 1
1 209 . 16 1 1 A 20 20 LEU H H 20 8.470 8.850 -0.380 1
1 210 . 16 1 1 A 20 20 LEU HA H 20 5.030 5.067 -0.037 1
1 220 . 16 1 1 A 20 20 LEU C C 20 175.600 175.203 0.397 1
1 221 . 16 1 1 A 20 20 LEU CA C 20 53.000 53.440 -0.440 1
1 222 . 16 1 1 A 20 20 LEU CB C 20 47.600 45.227 2.373 1
1 226 . 16 1 1 A 20 20 LEU N N 20 124.600 128.494 -3.894 1
1 227 . 16 1 1 A 21 21 VAL H H 21 8.880 8.893 -0.013 1
1 228 . 16 1 1 A 21 21 VAL HA H 21 4.540 4.643 -0.103 1
1 236 . 16 1 1 A 21 21 VAL C C 21 175.000 174.253 0.747 1
1 237 . 16 1 1 A 21 21 VAL CA C 21 59.400 59.996 -0.596 1
1 238 . 16 1 1 A 21 21 VAL CB C 21 33.300 33.448 -0.148 1
1 241 . 16 1 1 A 21 21 VAL N N 21 123.200 124.902 -1.702 1
1 242 . 16 1 1 A 22 22 PRO HA H 22 3.520 3.962 -0.442 1
1 249 . 16 1 1 A 22 22 PRO C C 22 176.300 177.034 -0.734 1
1 250 . 16 1 1 A 22 22 PRO CA C 22 62.600 62.497 0.103 1
1 251 . 16 1 1 A 22 22 PRO CB C 22 30.800 32.108 -1.308 1
1 254 . 16 1 1 A 23 23 GLU H H 23 8.830 9.461 -0.631 1
1 255 . 16 1 1 A 23 23 GLU HA H 23 4.070 4.251 -0.181 1
1 260 . 16 1 1 A 23 23 GLU C C 23 176.700 176.353 0.347 1
1 261 . 16 1 1 A 23 23 GLU CA C 23 57.700 58.851 -1.151 1
1 262 . 16 1 1 A 23 23 GLU CB C 23 30.900 31.482 -0.582 1
1 264 . 16 1 1 A 23 23 GLU N N 23 121.200 119.750 1.450 1
1 265 . 16 1 1 A 24 24 LYS H H 24 7.120 7.580 -0.460 1
1 266 . 16 1 1 A 24 24 LYS HA H 24 4.480 4.994 -0.514 1
1 275 . 16 1 1 A 24 24 LYS C C 24 173.900 174.651 -0.751 1
1 276 . 16 1 1 A 24 24 LYS CA C 24 55.000 55.737 -0.737 1
1 277 . 16 1 1 A 24 24 LYS CB C 24 36.800 35.756 1.044 1
1 281 . 16 1 1 A 24 24 LYS N N 24 114.600 119.638 -5.038 1
1 282 . 16 1 1 A 25 25 VAL H H 25 8.240 8.823 -0.583 1
1 283 . 16 1 1 A 25 25 VAL HA H 25 5.030 5.033 -0.003 1
1 291 . 16 1 1 A 25 25 VAL C C 25 174.500 174.850 -0.350 1
1 292 . 16 1 1 A 25 25 VAL CA C 25 60.200 60.080 0.120 1
1 293 . 16 1 1 A 25 25 VAL CB C 25 35.400 34.613 0.787 1
1 296 . 16 1 1 A 25 25 VAL N N 25 117.400 120.035 -2.635 1
1 297 . 16 1 1 A 26 26 TRP H H 26 9.130 8.967 0.163 1
1 298 . 16 1 1 A 26 26 TRP HA H 26 4.880 5.591 -0.711 1
1 307 . 16 1 1 A 26 26 TRP C C 26 172.600 173.226 -0.626 1
1 308 . 16 1 1 A 26 26 TRP CA C 26 57.800 55.439 2.361 1
1 309 . 16 1 1 A 26 26 TRP CB C 26 31.500 32.596 -1.096 1
1 315 . 16 1 1 A 26 26 TRP N N 26 122.500 121.045 1.455 1
1 317 . 16 1 1 A 27 27 ALA H H 27 8.640 8.988 -0.348 1
1 318 . 16 1 1 A 27 27 ALA HA H 27 5.170 5.574 -0.404 1
1 322 . 16 1 1 A 27 27 ALA C C 27 177.000 175.921 1.079 1
1 323 . 16 1 1 A 27 27 ALA CA C 27 50.500 50.299 0.201 1
1 324 . 16 1 1 A 27 27 ALA CB C 27 21.000 22.195 -1.195 1
1 325 . 16 1 1 A 27 27 ALA N N 27 122.200 122.195 0.005 1
1 326 . 16 1 1 A 28 28 LEU H H 28 8.860 9.430 -0.570 1
1 327 . 16 1 1 A 28 28 LEU HA H 28 4.590 4.692 -0.102 1
1 337 . 16 1 1 A 28 28 LEU C C 28 176.100 175.505 0.595 1
1 338 . 16 1 1 A 28 28 LEU CA C 28 54.500 54.402 0.098 1
1 339 . 16 1 1 A 28 28 LEU CB C 28 43.100 40.416 2.684 1
1 343 . 16 1 1 A 28 28 LEU N N 28 123.300 124.435 -1.135 1
1 344 . 16 1 1 A 29 29 ALA H H 29 8.540 7.665 0.875 1
1 345 . 16 1 1 A 29 29 ALA HA H 29 4.820 4.851 -0.031 1
1 349 . 16 1 1 A 29 29 ALA C C 29 174.300 176.692 -2.392 1
1 350 . 16 1 1 A 29 29 ALA CA C 29 50.000 48.633 1.367 1
1 351 . 16 1 1 A 29 29 ALA CB C 29 19.000 20.687 -1.687 1
1 352 . 16 1 1 A 29 29 ALA N N 29 125.900 127.397 -1.497 1
1 353 . 16 1 1 A 30 30 PRO HA H 30 4.440 4.442 -0.002 1
1 360 . 16 1 1 A 30 30 PRO C C 30 176.800 177.137 -0.337 1
1 361 . 16 1 1 A 30 30 PRO CA C 30 62.600 65.123 -2.523 1
1 362 . 16 1 1 A 30 30 PRO CB C 30 31.900 31.905 -0.005 1
1 365 . 16 1 1 A 31 31 LYS H H 31 8.370 7.494 0.876 1
1 366 . 16 1 1 A 31 31 LYS HA H 31 4.170 4.535 -0.365 1
1 375 . 16 1 1 A 31 31 LYS C C 31 177.700 175.895 1.805 1
1 376 . 16 1 1 A 31 31 LYS CA C 31 57.300 57.265 0.035 1
1 377 . 16 1 1 A 31 31 LYS CB C 31 32.000 34.592 -2.592 1
1 381 . 16 1 1 A 31 31 LYS N N 31 121.500 115.500 6.000 1
1 382 . 16 1 1 A 32 32 GLY H H 32 8.720 8.190 0.530 1
1 383 . 16 1 1 A 32 32 GLY HA2 H 32 3.780 4.098 -0.318 1
1 384 . 16 1 1 A 32 32 GLY HA3 H 32 4.120 4.099 0.021 1
1 385 . 16 1 1 A 32 32 GLY C C 32 173.900 173.873 0.027 1
1 386 . 16 1 1 A 32 32 GLY CA C 32 45.700 45.328 0.372 1
1 387 . 16 1 1 A 32 32 GLY N N 32 112.200 107.315 4.885 1
1 388 . 16 1 1 A 33 33 ARG H H 33 7.790 8.469 -0.679 1
1 389 . 16 1 1 A 33 33 ARG HA H 33 4.590 4.559 0.031 1
1 396 . 16 1 1 A 33 33 ARG C C 33 175.200 176.201 -1.001 1
1 397 . 16 1 1 A 33 33 ARG CA C 33 54.700 57.406 -2.706 1
1 398 . 16 1 1 A 33 33 ARG CB C 33 32.300 31.838 0.462 1
1 401 . 16 1 1 A 33 33 ARG N N 33 118.800 124.165 -5.365 1
1 402 . 16 1 1 A 34 34 LYS H H 34 8.190 7.911 0.279 1
1 403 . 16 1 1 A 34 34 LYS HA H 34 4.280 4.520 -0.240 1
1 412 . 16 1 1 A 34 34 LYS C C 34 176.700 176.248 0.452 1
1 413 . 16 1 1 A 34 34 LYS CA C 34 56.800 56.805 -0.005 1
1 414 . 16 1 1 A 34 34 LYS CB C 34 32.900 35.350 -2.450 1
1 418 . 16 1 1 A 34 34 LYS N N 34 120.600 117.202 3.398 1
1 419 . 16 1 1 A 35 35 GLY H H 35 8.490 7.584 0.906 1
1 420 . 16 1 1 A 35 35 GLY HA2 H 35 3.900 4.104 -0.204 1
1 421 . 16 1 1 A 35 35 GLY HA3 H 35 4.260 4.107 0.153 1
1 422 . 16 1 1 A 35 35 GLY C C 35 173.200 173.017 0.183 1
1 423 . 16 1 1 A 35 35 GLY CA C 35 45.500 44.873 0.627 1
1 424 . 16 1 1 A 35 35 GLY N N 35 110.400 106.120 4.280 1
1 425 . 16 1 1 A 36 36 VAL H H 36 8.130 8.663 -0.533 1
1 426 . 16 1 1 A 36 36 VAL HA H 36 4.380 4.125 0.255 1
1 434 . 16 1 1 A 36 36 VAL C C 36 174.100 174.940 -0.840 1
1 435 . 16 1 1 A 36 36 VAL CA C 36 61.500 62.434 -0.934 1
1 436 . 16 1 1 A 36 36 VAL CB C 36 34.700 31.401 3.299 1
1 438 . 16 1 1 A 36 36 VAL N N 36 119.000 125.298 -6.298 1
1 439 . 16 1 1 A 37 37 LYS H H 37 9.020 8.773 0.247 1
1 440 . 16 1 1 A 37 37 LYS HA H 37 5.070 4.767 0.303 1
1 449 . 16 1 1 A 37 37 LYS C C 37 174.700 175.912 -1.212 1
1 450 . 16 1 1 A 37 37 LYS CA C 37 55.400 56.262 -0.862 1
1 451 . 16 1 1 A 37 37 LYS CB C 37 35.700 32.772 2.928 1
1 455 . 16 1 1 A 37 37 LYS N N 37 125.600 127.270 -1.670 1
1 456 . 16 1 1 A 38 38 ILE H H 38 8.860 8.876 -0.016 1
1 457 . 16 1 1 A 38 38 ILE HA H 38 4.390 4.659 -0.269 1
1 467 . 16 1 1 A 38 38 ILE C C 38 173.100 174.117 -1.017 1
1 468 . 16 1 1 A 38 38 ILE CA C 38 59.000 59.358 -0.358 1
1 469 . 16 1 1 A 38 38 ILE CB C 38 40.900 41.358 -0.458 1
1 473 . 16 1 1 A 38 38 ILE N N 38 123.300 124.704 -1.404 1
1 474 . 16 1 1 A 39 39 GLY H H 39 8.600 8.927 -0.327 1
1 475 . 16 1 1 A 39 39 GLY HA2 H 39 2.920 3.815 -0.895 1
1 476 . 16 1 1 A 39 39 GLY HA3 H 39 5.060 3.859 1.201 1
1 477 . 16 1 1 A 39 39 GLY C C 39 170.400 171.409 -1.009 1
1 478 . 16 1 1 A 39 39 GLY CA C 39 43.800 43.505 0.295 1
1 479 . 16 1 1 A 39 39 GLY N N 39 109.500 113.766 -4.266 1
1 480 . 16 1 1 A 40 40 LEU H H 40 8.090 8.794 -0.704 1
1 481 . 16 1 1 A 40 40 LEU HA H 40 4.870 4.859 0.011 1
1 491 . 16 1 1 A 40 40 LEU C C 40 174.100 174.656 -0.556 1
1 492 . 16 1 1 A 40 40 LEU CA C 40 53.400 53.647 -0.247 1
1 493 . 16 1 1 A 40 40 LEU CB C 40 45.500 44.354 1.146 1
1 497 . 16 1 1 A 40 40 LEU N N 40 122.200 124.306 -2.106 1
1 498 . 16 1 1 A 41 41 PHE H H 41 9.180 9.603 -0.423 1
1 499 . 16 1 1 A 41 41 PHE HA H 41 4.620 4.973 -0.353 1
1 507 . 16 1 1 A 41 41 PHE C C 41 173.000 173.696 -0.696 1
1 508 . 16 1 1 A 41 41 PHE CA C 41 56.000 55.878 0.122 1
1 509 . 16 1 1 A 41 41 PHE CB C 41 43.400 43.074 0.326 1
1 515 . 16 1 1 A 41 41 PHE N N 41 124.600 124.888 -0.288 1
1 516 . 16 1 1 A 42 42 LYS H H 42 8.460 8.660 -0.200 1
1 517 . 16 1 1 A 42 42 LYS HA H 42 4.320 4.960 -0.640 1
1 526 . 16 1 1 A 42 42 LYS C C 42 175.800 175.233 0.567 1
1 527 . 16 1 1 A 42 42 LYS CA C 42 54.700 54.292 0.408 1
1 528 . 16 1 1 A 42 42 LYS CB C 42 34.500 35.276 -0.776 1
1 532 . 16 1 1 A 42 42 LYS N N 42 120.800 120.744 0.056 1
1 533 . 16 1 1 A 43 43 ASP H H 43 8.970 9.212 -0.242 1
1 534 . 16 1 1 A 43 43 ASP HA H 43 4.720 4.876 -0.156 1
1 537 . 16 1 1 A 43 43 ASP C C 43 175.800 176.387 -0.587 1
1 538 . 16 1 1 A 43 43 ASP CA C 43 52.100 52.042 0.058 1
1 539 . 16 1 1 A 43 43 ASP CB C 43 42.700 42.178 0.522 1
1 540 . 16 1 1 A 43 43 ASP N N 43 127.600 127.186 0.414 1
1 541 . 16 1 1 A 44 44 PRO HA H 44 4.320 4.467 -0.147 1
1 548 . 16 1 1 A 44 44 PRO C C 44 177.900 178.069 -0.169 1
1 549 . 16 1 1 A 44 44 PRO CA C 44 64.300 64.569 -0.269 1
1 550 . 16 1 1 A 44 44 PRO CB C 44 32.300 32.047 0.253 1
1 553 . 16 1 1 A 45 45 GLU H H 45 8.320 8.228 0.092 1
1 554 . 16 1 1 A 45 45 GLU HA H 45 4.230 4.152 0.078 1
1 559 . 16 1 1 A 45 45 GLU C C 45 177.800 178.730 -0.930 1
1 560 . 16 1 1 A 45 45 GLU CA C 45 58.600 59.458 -0.858 1
1 561 . 16 1 1 A 45 45 GLU CB C 45 30.700 30.030 0.670 1
1 563 . 16 1 1 A 45 45 GLU N N 45 116.000 118.190 -2.190 1
1 564 . 16 1 1 A 46 46 THR H H 46 7.320 8.798 -1.478 1
1 565 . 16 1 1 A 46 46 THR HA H 46 4.460 4.401 0.059 1
1 570 . 16 1 1 A 46 46 THR C C 46 176.300 176.121 0.179 1
1 571 . 16 1 1 A 46 46 THR CA C 46 61.700 62.710 -1.010 1
1 572 . 16 1 1 A 46 46 THR CB C 46 71.500 70.382 1.118 1
1 574 . 16 1 1 A 46 46 THR N N 46 105.100 109.655 -4.555 1
1 575 . 16 1 1 A 47 47 GLY H H 47 8.550 8.168 0.382 1
1 576 . 16 1 1 A 47 47 GLY HA2 H 47 3.570 3.943 -0.373 1
1 577 . 16 1 1 A 47 47 GLY HA3 H 47 4.160 3.951 0.209 1
1 578 . 16 1 1 A 47 47 GLY C C 47 173.200 174.609 -1.409 1
1 579 . 16 1 1 A 47 47 GLY CA C 47 45.700 45.135 0.565 1
1 580 . 16 1 1 A 47 47 GLY N N 47 111.500 111.294 0.206 1
1 581 . 16 1 1 A 48 48 LYS H H 48 7.700 7.464 0.236 1
1 582 . 16 1 1 A 48 48 LYS HA H 48 4.410 4.550 -0.140 1
1 591 . 16 1 1 A 48 48 LYS C C 48 176.600 175.577 1.023 1
1 592 . 16 1 1 A 48 48 LYS CA C 48 55.800 56.196 -0.396 1
1 593 . 16 1 1 A 48 48 LYS CB C 48 33.900 33.504 0.396 1
1 597 . 16 1 1 A 48 48 LYS N N 48 118.800 120.019 -1.219 1
1 598 . 16 1 1 A 49 49 TYR H H 49 8.740 9.233 -0.493 1
1 599 . 16 1 1 A 49 49 TYR HA H 49 5.670 5.672 -0.002 1
1 606 . 16 1 1 A 49 49 TYR C C 49 177.400 175.790 1.610 1
1 607 . 16 1 1 A 49 49 TYR CA C 49 58.200 56.796 1.404 1
1 608 . 16 1 1 A 49 49 TYR CB C 49 40.300 39.756 0.544 1
1 613 . 16 1 1 A 49 49 TYR N N 49 121.100 121.568 -0.468 1
1 614 . 16 1 1 A 50 50 PHE H H 50 9.630 9.075 0.555 1
1 615 . 16 1 1 A 50 50 PHE HA H 50 5.150 5.789 -0.639 1
1 623 . 16 1 1 A 50 50 PHE C C 50 172.500 173.540 -1.040 1
1 624 . 16 1 1 A 50 50 PHE CA C 50 56.200 55.258 0.942 1
1 625 . 16 1 1 A 50 50 PHE CB C 50 41.400 42.880 -1.480 1
1 631 . 16 1 1 A 50 50 PHE N N 50 118.400 120.050 -1.650 1
1 632 . 16 1 1 A 51 51 ARG H H 51 8.940 8.929 0.011 1
1 633 . 16 1 1 A 51 51 ARG HA H 51 5.740 5.299 0.441 1
1 640 . 16 1 1 A 51 51 ARG C C 51 176.600 175.286 1.314 1
1 641 . 16 1 1 A 51 51 ARG CA C 51 54.900 55.564 -0.664 1
1 642 . 16 1 1 A 51 51 ARG CB C 51 32.700 31.872 0.828 1
1 645 . 16 1 1 A 51 51 ARG N N 51 120.700 119.646 1.054 1
1 646 . 16 1 1 A 52 52 HIS H H 52 9.130 9.181 -0.051 1
1 647 . 16 1 1 A 52 52 HIS HA H 52 4.730 5.264 -0.534 1
1 651 . 16 1 1 A 52 52 HIS C C 52 173.900 172.861 1.039 1
1 652 . 16 1 1 A 52 52 HIS CA C 52 56.600 55.870 0.730 1
1 653 . 16 1 1 A 52 52 HIS CB C 52 33.700 33.734 -0.034 1
1 655 . 16 1 1 A 52 52 HIS N N 52 120.400 121.901 -1.501 1
1 656 . 16 1 1 A 53 53 LYS H H 53 8.770 7.969 0.801 1
1 657 . 16 1 1 A 53 53 LYS HA H 53 4.590 4.195 0.395 1
1 666 . 16 1 1 A 53 53 LYS C C 53 176.700 176.377 0.323 1
1 667 . 16 1 1 A 53 53 LYS CA C 53 58.000 56.652 1.348 1
1 668 . 16 1 1 A 53 53 LYS CB C 53 33.300 33.110 0.190 1
1 672 . 16 1 1 A 53 53 LYS N N 53 127.500 127.577 -0.077 1
1 673 . 16 1 1 A 54 54 LEU H H 54 8.690 9.026 -0.336 1
1 674 . 16 1 1 A 54 54 LEU HA H 54 4.830 4.747 0.083 1
1 684 . 16 1 1 A 54 54 LEU C C 54 173.900 174.426 -0.526 1
1 685 . 16 1 1 A 54 54 LEU CA C 54 51.700 52.480 -0.780 1
1 686 . 16 1 1 A 54 54 LEU CB C 54 41.400 41.886 -0.486 1
1 690 . 16 1 1 A 54 54 LEU N N 54 125.400 126.421 -1.021 1
1 691 . 16 1 1 A 55 55 PRO HA H 55 4.420 4.659 -0.239 1
1 698 . 16 1 1 A 55 55 PRO C C 55 177.100 177.052 0.048 1
1 699 . 16 1 1 A 55 55 PRO CA C 55 62.900 62.880 0.020 1
1 700 . 16 1 1 A 55 55 PRO CB C 55 32.500 32.382 0.118 1
1 703 . 16 1 1 A 56 56 ASP H H 56 8.740 8.805 -0.065 1
1 704 . 16 1 1 A 56 56 ASP HA H 56 4.440 4.542 -0.102 1
1 707 . 16 1 1 A 56 56 ASP C C 56 177.200 176.628 0.572 1
1 708 . 16 1 1 A 56 56 ASP CA C 56 57.500 56.267 1.233 1
1 709 . 16 1 1 A 56 56 ASP CB C 56 40.500 40.358 0.142 1
1 710 . 16 1 1 A 56 56 ASP N N 56 120.700 122.436 -1.736 1
1 711 . 16 1 1 A 57 57 ASP H H 57 8.350 8.430 -0.080 1
1 712 . 16 1 1 A 57 57 ASP HA H 57 4.620 4.718 -0.098 1
1 715 . 16 1 1 A 57 57 ASP C C 57 176.300 175.879 0.421 1
1 716 . 16 1 1 A 57 57 ASP CA C 57 52.600 53.320 -0.720 1
1 717 . 16 1 1 A 57 57 ASP CB C 57 39.500 40.062 -0.562 1
1 718 . 16 1 1 A 57 57 ASP N N 57 116.400 115.564 0.836 1
1 719 . 16 1 1 A 58 58 TYR H H 58 7.890 7.870 0.020 1
1 720 . 16 1 1 A 58 58 TYR HA H 58 4.350 4.779 -0.429 1
1 727 . 16 1 1 A 58 58 TYR C C 58 174.400 174.319 0.081 1
1 728 . 16 1 1 A 58 58 TYR CA C 58 58.400 56.899 1.501 1
1 729 . 16 1 1 A 58 58 TYR CB C 58 40.300 39.470 0.830 1
1 734 . 16 1 1 A 58 58 TYR N N 58 125.500 122.821 2.679 1
1 735 . 16 1 1 A 59 59 PRO HA H 59 4.360 4.672 -0.312 1
1 742 . 16 1 1 A 59 59 PRO C C 59 174.700 176.380 -1.680 1
1 743 . 16 1 1 A 59 59 PRO CA C 59 63.400 62.278 1.122 1
1 744 . 16 1 1 A 59 59 PRO CB C 59 31.100 31.496 -0.396 1
1 1 . 17 1 1 A 3 3 SER HA H 3 4.520 4.064 0.456 1
1 4 . 17 1 1 A 3 3 SER C C 3 174.700 173.827 0.873 1
1 5 . 17 1 1 A 3 3 SER CA C 3 58.400 59.396 -0.996 1
1 6 . 17 1 1 A 3 3 SER CB C 3 64.000 61.500 2.500 1
1 7 . 17 1 1 A 4 4 GLY H H 4 8.350 7.819 0.531 1
1 8 . 17 1 1 A 4 4 GLY HA2 H 4 3.910 3.885 0.025 1
1 9 . 17 1 1 A 4 4 GLY HA3 H 4 4.050 3.889 0.161 1
1 10 . 17 1 1 A 4 4 GLY C C 4 173.800 173.344 0.456 1
1 11 . 17 1 1 A 4 4 GLY CA C 4 45.300 46.305 -1.005 1
1 12 . 17 1 1 A 4 4 GLY N N 4 110.300 107.829 2.471 1
1 13 . 17 1 1 A 5 5 LYS H H 5 8.110 7.922 0.188 1
1 14 . 17 1 1 A 5 5 LYS HA H 5 4.310 4.732 -0.422 1
1 23 . 17 1 1 A 5 5 LYS C C 5 175.700 175.501 0.199 1
1 24 . 17 1 1 A 5 5 LYS CA C 5 56.100 55.777 0.323 1
1 25 . 17 1 1 A 5 5 LYS CB C 5 33.200 33.526 -0.326 1
1 29 . 17 1 1 A 5 5 LYS N N 5 120.500 122.467 -1.967 1
1 30 . 17 1 1 A 6 6 LYS H H 6 7.980 8.689 -0.709 1
1 31 . 17 1 1 A 6 6 LYS HA H 6 4.730 4.780 -0.050 1
1 40 . 17 1 1 A 6 6 LYS C C 6 174.800 174.885 -0.085 1
1 41 . 17 1 1 A 6 6 LYS CA C 6 54.000 53.414 0.586 1
1 42 . 17 1 1 A 6 6 LYS CB C 6 33.300 35.200 -1.900 1
1 46 . 17 1 1 A 6 6 LYS N N 6 121.900 121.288 0.612 1
1 47 . 17 1 1 A 7 7 PRO HA H 7 4.610 5.045 -0.435 1
1 54 . 17 1 1 A 7 7 PRO C C 7 175.900 175.401 0.499 1
1 55 . 17 1 1 A 7 7 PRO CA C 7 62.500 62.331 0.169 1
1 56 . 17 1 1 A 7 7 PRO CB C 7 32.600 32.607 -0.007 1
1 59 . 17 1 1 A 8 8 VAL H H 8 9.040 8.614 0.426 1
1 60 . 17 1 1 A 8 8 VAL HA H 8 4.430 4.768 -0.338 1
1 68 . 17 1 1 A 8 8 VAL C C 8 173.900 174.570 -0.670 1
1 69 . 17 1 1 A 8 8 VAL CA C 8 60.200 59.698 0.502 1
1 70 . 17 1 1 A 8 8 VAL CB C 8 35.600 35.093 0.507 1
1 73 . 17 1 1 A 8 8 VAL N N 8 119.900 121.202 -1.302 1
1 74 . 17 1 1 A 9 9 LYS H H 9 8.390 8.450 -0.060 1
1 75 . 17 1 1 A 9 9 LYS HA H 9 4.610 4.641 -0.031 1
1 84 . 17 1 1 A 9 9 LYS C C 9 175.500 175.451 0.049 1
1 85 . 17 1 1 A 9 9 LYS CA C 9 56.800 56.118 0.682 1
1 86 . 17 1 1 A 9 9 LYS CB C 9 31.700 32.990 -1.290 1
1 90 . 17 1 1 A 9 9 LYS N N 9 125.800 126.313 -0.513 1
1 91 . 17 1 1 A 10 10 VAL H H 10 8.740 8.971 -0.231 1
1 92 . 17 1 1 A 10 10 VAL HA H 10 4.040 4.757 -0.717 1
1 100 . 17 1 1 A 10 10 VAL C C 10 173.600 174.268 -0.668 1
1 101 . 17 1 1 A 10 10 VAL CA C 10 58.600 59.342 -0.742 1
1 102 . 17 1 1 A 10 10 VAL CB C 10 35.200 34.408 0.792 1
1 105 . 17 1 1 A 10 10 VAL N N 10 120.700 123.871 -3.171 1
1 106 . 17 1 1 A 11 11 LYS H H 11 7.320 8.129 -0.809 1
1 107 . 17 1 1 A 11 11 LYS HA H 11 5.000 4.458 0.542 1
1 116 . 17 1 1 A 11 11 LYS C C 11 176.600 176.987 -0.387 1
1 117 . 17 1 1 A 11 11 LYS CA C 11 54.800 55.801 -1.001 1
1 118 . 17 1 1 A 11 11 LYS CB C 11 33.700 32.859 0.841 1
1 122 . 17 1 1 A 11 11 LYS N N 11 120.600 126.351 -5.751 1
1 123 . 17 1 1 A 12 12 THR H H 12 8.950 9.286 -0.336 1
1 124 . 17 1 1 A 12 12 THR HA H 12 3.700 4.321 -0.621 1
1 129 . 17 1 1 A 12 12 THR C C 12 175.100 174.616 0.484 1
1 130 . 17 1 1 A 12 12 THR CA C 12 59.700 59.684 0.016 1
1 131 . 17 1 1 A 12 12 THR CB C 12 67.700 68.685 -0.985 1
1 133 . 17 1 1 A 12 12 THR N N 12 115.400 117.644 -2.244 1
1 134 . 17 1 1 A 13 13 PRO HA H 13 4.180 4.154 0.026 1
1 141 . 17 1 1 A 13 13 PRO C C 13 177.000 177.258 -0.258 1
1 142 . 17 1 1 A 13 13 PRO CA C 13 65.000 64.694 0.306 1
1 143 . 17 1 1 A 13 13 PRO CB C 13 31.400 31.436 -0.036 1
1 146 . 17 1 1 A 14 14 ALA H H 14 7.240 7.191 0.049 1
1 147 . 17 1 1 A 14 14 ALA HA H 14 4.310 4.181 0.129 1
1 151 . 17 1 1 A 14 14 ALA C C 14 177.900 177.873 0.027 1
1 152 . 17 1 1 A 14 14 ALA CA C 14 52.200 52.230 -0.030 1
1 153 . 17 1 1 A 14 14 ALA CB C 14 19.000 19.188 -0.188 1
1 154 . 17 1 1 A 14 14 ALA N N 14 116.100 117.854 -1.754 1
1 155 . 17 1 1 A 15 15 GLY H H 15 8.310 8.380 -0.070 1
1 156 . 17 1 1 A 15 15 GLY HA2 H 15 3.520 3.800 -0.280 1
1 157 . 17 1 1 A 15 15 GLY HA3 H 15 4.220 3.824 0.396 1
1 158 . 17 1 1 A 15 15 GLY C C 15 174.000 173.742 0.258 1
1 159 . 17 1 1 A 15 15 GLY CA C 15 45.300 45.458 -0.158 1
1 160 . 17 1 1 A 15 15 GLY N N 15 107.000 106.778 0.222 1
1 161 . 17 1 1 A 16 16 LYS H H 16 6.960 7.170 -0.210 1
1 162 . 17 1 1 A 16 16 LYS HA H 16 4.490 4.864 -0.374 1
1 171 . 17 1 1 A 16 16 LYS C C 16 175.400 175.078 0.322 1
1 172 . 17 1 1 A 16 16 LYS CA C 16 54.800 54.267 0.533 1
1 173 . 17 1 1 A 16 16 LYS CB C 16 33.900 35.553 -1.653 1
1 177 . 17 1 1 A 16 16 LYS N N 16 119.200 116.258 2.942 1
1 178 . 17 1 1 A 17 17 GLU H H 17 8.520 8.435 0.085 1
1 179 . 17 1 1 A 17 17 GLU HA H 17 4.990 5.445 -0.455 1
1 184 . 17 1 1 A 17 17 GLU C C 17 175.800 175.807 -0.007 1
1 185 . 17 1 1 A 17 17 GLU CA C 17 55.900 55.295 0.605 1
1 186 . 17 1 1 A 17 17 GLU CB C 17 30.900 31.619 -0.719 1
1 188 . 17 1 1 A 17 17 GLU N N 17 122.200 120.493 1.707 1
1 189 . 17 1 1 A 18 18 ALA H H 18 8.870 8.648 0.222 1
1 190 . 17 1 1 A 18 18 ALA HA H 18 4.620 5.009 -0.389 1
1 194 . 17 1 1 A 18 18 ALA C C 18 174.600 176.136 -1.536 1
1 195 . 17 1 1 A 18 18 ALA CA C 18 51.000 50.666 0.334 1
1 196 . 17 1 1 A 18 18 ALA CB C 18 22.300 23.606 -1.306 1
1 197 . 17 1 1 A 18 18 ALA N N 18 127.200 124.020 3.180 1
1 198 . 17 1 1 A 19 19 GLU H H 19 8.450 8.541 -0.091 1
1 199 . 17 1 1 A 19 19 GLU HA H 19 4.830 5.135 -0.305 1
1 204 . 17 1 1 A 19 19 GLU C C 19 175.200 175.274 -0.074 1
1 205 . 17 1 1 A 19 19 GLU CA C 19 55.400 55.988 -0.588 1
1 206 . 17 1 1 A 19 19 GLU CB C 19 30.100 30.281 -0.181 1
1 208 . 17 1 1 A 19 19 GLU N N 19 121.700 119.842 1.858 1
1 209 . 17 1 1 A 20 20 LEU H H 20 8.470 8.967 -0.497 1
1 210 . 17 1 1 A 20 20 LEU HA H 20 5.030 5.078 -0.048 1
1 220 . 17 1 1 A 20 20 LEU C C 20 175.600 175.442 0.158 1
1 221 . 17 1 1 A 20 20 LEU CA C 20 53.000 53.671 -0.671 1
1 222 . 17 1 1 A 20 20 LEU CB C 20 47.600 45.099 2.501 1
1 226 . 17 1 1 A 20 20 LEU N N 20 124.600 126.221 -1.621 1
1 227 . 17 1 1 A 21 21 VAL H H 21 8.880 9.065 -0.185 1
1 228 . 17 1 1 A 21 21 VAL HA H 21 4.540 4.765 -0.225 1
1 236 . 17 1 1 A 21 21 VAL C C 21 175.000 174.253 0.747 1
1 237 . 17 1 1 A 21 21 VAL CA C 21 59.400 59.805 -0.405 1
1 238 . 17 1 1 A 21 21 VAL CB C 21 33.300 33.262 0.038 1
1 241 . 17 1 1 A 21 21 VAL N N 21 123.200 125.840 -2.640 1
1 242 . 17 1 1 A 22 22 PRO HA H 22 3.520 4.190 -0.670 1
1 249 . 17 1 1 A 22 22 PRO C C 22 176.300 177.514 -1.214 1
1 250 . 17 1 1 A 22 22 PRO CA C 22 62.600 62.640 -0.040 1
1 251 . 17 1 1 A 22 22 PRO CB C 22 30.800 31.811 -1.011 1
1 254 . 17 1 1 A 23 23 GLU H H 23 8.830 9.365 -0.535 1
1 255 . 17 1 1 A 23 23 GLU HA H 23 4.070 4.207 -0.137 1
1 260 . 17 1 1 A 23 23 GLU C C 23 176.700 176.317 0.383 1
1 261 . 17 1 1 A 23 23 GLU CA C 23 57.700 59.428 -1.728 1
1 262 . 17 1 1 A 23 23 GLU CB C 23 30.900 31.270 -0.370 1
1 264 . 17 1 1 A 23 23 GLU N N 23 121.200 120.394 0.806 1
1 265 . 17 1 1 A 24 24 LYS H H 24 7.120 7.602 -0.482 1
1 266 . 17 1 1 A 24 24 LYS HA H 24 4.480 4.979 -0.499 1
1 275 . 17 1 1 A 24 24 LYS C C 24 173.900 174.808 -0.908 1
1 276 . 17 1 1 A 24 24 LYS CA C 24 55.000 55.764 -0.764 1
1 277 . 17 1 1 A 24 24 LYS CB C 24 36.800 35.971 0.829 1
1 281 . 17 1 1 A 24 24 LYS N N 24 114.600 119.535 -4.935 1
1 282 . 17 1 1 A 25 25 VAL H H 25 8.240 8.843 -0.603 1
1 283 . 17 1 1 A 25 25 VAL HA H 25 5.030 4.984 0.046 1
1 291 . 17 1 1 A 25 25 VAL C C 25 174.500 174.902 -0.402 1
1 292 . 17 1 1 A 25 25 VAL CA C 25 60.200 60.003 0.197 1
1 293 . 17 1 1 A 25 25 VAL CB C 25 35.400 34.553 0.847 1
1 296 . 17 1 1 A 25 25 VAL N N 25 117.400 120.325 -2.925 1
1 297 . 17 1 1 A 26 26 TRP H H 26 9.130 8.783 0.347 1
1 298 . 17 1 1 A 26 26 TRP HA H 26 4.880 5.524 -0.644 1
1 307 . 17 1 1 A 26 26 TRP C C 26 172.600 173.606 -1.006 1
1 308 . 17 1 1 A 26 26 TRP CA C 26 57.800 55.477 2.323 1
1 309 . 17 1 1 A 26 26 TRP CB C 26 31.500 32.113 -0.613 1
1 315 . 17 1 1 A 26 26 TRP N N 26 122.500 121.087 1.413 1
1 317 . 17 1 1 A 27 27 ALA H H 27 8.640 8.902 -0.262 1
1 318 . 17 1 1 A 27 27 ALA HA H 27 5.170 5.299 -0.129 1
1 322 . 17 1 1 A 27 27 ALA C C 27 177.000 175.865 1.135 1
1 323 . 17 1 1 A 27 27 ALA CA C 27 50.500 50.604 -0.104 1
1 324 . 17 1 1 A 27 27 ALA CB C 27 21.000 22.329 -1.329 1
1 325 . 17 1 1 A 27 27 ALA N N 27 122.200 122.141 0.059 1
1 326 . 17 1 1 A 28 28 LEU H H 28 8.860 9.774 -0.914 1
1 327 . 17 1 1 A 28 28 LEU HA H 28 4.590 4.844 -0.254 1
1 337 . 17 1 1 A 28 28 LEU C C 28 176.100 175.357 0.743 1
1 338 . 17 1 1 A 28 28 LEU CA C 28 54.500 54.291 0.209 1
1 339 . 17 1 1 A 28 28 LEU CB C 28 43.100 41.129 1.971 1
1 343 . 17 1 1 A 28 28 LEU N N 28 123.300 124.421 -1.121 1
1 344 . 17 1 1 A 29 29 ALA H H 29 8.540 8.257 0.283 1
1 345 . 17 1 1 A 29 29 ALA HA H 29 4.820 4.866 -0.046 1
1 349 . 17 1 1 A 29 29 ALA C C 29 174.300 176.775 -2.475 1
1 350 . 17 1 1 A 29 29 ALA CA C 29 50.000 48.752 1.248 1
1 351 . 17 1 1 A 29 29 ALA CB C 29 19.000 20.414 -1.414 1
1 352 . 17 1 1 A 29 29 ALA N N 29 125.900 128.656 -2.756 1
1 353 . 17 1 1 A 30 30 PRO HA H 30 4.440 4.468 -0.028 1
1 360 . 17 1 1 A 30 30 PRO C C 30 176.800 176.279 0.521 1
1 361 . 17 1 1 A 30 30 PRO CA C 30 62.600 65.342 -2.742 1
1 362 . 17 1 1 A 30 30 PRO CB C 30 31.900 31.754 0.146 1
1 365 . 17 1 1 A 31 31 LYS H H 31 8.370 7.440 0.930 1
1 366 . 17 1 1 A 31 31 LYS HA H 31 4.170 4.655 -0.485 1
1 375 . 17 1 1 A 31 31 LYS C C 31 177.700 175.447 2.253 1
1 376 . 17 1 1 A 31 31 LYS CA C 31 57.300 55.213 2.087 1
1 377 . 17 1 1 A 31 31 LYS CB C 31 32.000 34.825 -2.825 1
1 381 . 17 1 1 A 31 31 LYS N N 31 121.500 111.454 10.046 1
1 382 . 17 1 1 A 32 32 GLY H H 32 8.720 8.780 -0.060 1
1 383 . 17 1 1 A 32 32 GLY HA2 H 32 3.780 3.888 -0.108 1
1 384 . 17 1 1 A 32 32 GLY HA3 H 32 4.120 3.888 0.232 1
1 385 . 17 1 1 A 32 32 GLY C C 32 173.900 173.973 -0.073 1
1 386 . 17 1 1 A 32 32 GLY CA C 32 45.700 46.536 -0.836 1
1 387 . 17 1 1 A 32 32 GLY N N 32 112.200 111.648 0.552 1
1 388 . 17 1 1 A 33 33 ARG H H 33 7.790 7.840 -0.050 1
1 389 . 17 1 1 A 33 33 ARG HA H 33 4.590 4.866 -0.276 1
1 396 . 17 1 1 A 33 33 ARG C C 33 175.200 176.813 -1.613 1
1 397 . 17 1 1 A 33 33 ARG CA C 33 54.700 54.073 0.627 1
1 398 . 17 1 1 A 33 33 ARG CB C 33 32.300 33.570 -1.270 1
1 401 . 17 1 1 A 33 33 ARG N N 33 118.800 119.673 -0.873 1
1 402 . 17 1 1 A 34 34 LYS H H 34 8.190 8.915 -0.725 1
1 403 . 17 1 1 A 34 34 LYS HA H 34 4.280 4.012 0.268 1
1 412 . 17 1 1 A 34 34 LYS C C 34 176.700 176.644 0.056 1
1 413 . 17 1 1 A 34 34 LYS CA C 34 56.800 57.594 -0.794 1
1 414 . 17 1 1 A 34 34 LYS CB C 34 32.900 33.720 -0.820 1
1 418 . 17 1 1 A 34 34 LYS N N 34 120.600 122.841 -2.241 1
1 419 . 17 1 1 A 35 35 GLY H H 35 8.490 7.928 0.562 1
1 420 . 17 1 1 A 35 35 GLY HA2 H 35 3.900 4.028 -0.128 1
1 421 . 17 1 1 A 35 35 GLY HA3 H 35 4.260 4.028 0.232 1
1 422 . 17 1 1 A 35 35 GLY C C 35 173.200 173.297 -0.097 1
1 423 . 17 1 1 A 35 35 GLY CA C 35 45.500 44.537 0.963 1
1 424 . 17 1 1 A 35 35 GLY N N 35 110.400 106.525 3.875 1
1 425 . 17 1 1 A 36 36 VAL H H 36 8.130 8.856 -0.726 1
1 426 . 17 1 1 A 36 36 VAL HA H 36 4.380 4.067 0.313 1
1 434 . 17 1 1 A 36 36 VAL C C 36 174.100 174.960 -0.860 1
1 435 . 17 1 1 A 36 36 VAL CA C 36 61.500 62.541 -1.041 1
1 436 . 17 1 1 A 36 36 VAL CB C 36 34.700 31.315 3.385 1
1 438 . 17 1 1 A 36 36 VAL N N 36 119.000 123.885 -4.885 1
1 439 . 17 1 1 A 37 37 LYS H H 37 9.020 8.834 0.186 1
1 440 . 17 1 1 A 37 37 LYS HA H 37 5.070 4.705 0.365 1
1 449 . 17 1 1 A 37 37 LYS C C 37 174.700 175.624 -0.924 1
1 450 . 17 1 1 A 37 37 LYS CA C 37 55.400 56.060 -0.660 1
1 451 . 17 1 1 A 37 37 LYS CB C 37 35.700 33.318 2.382 1
1 455 . 17 1 1 A 37 37 LYS N N 37 125.600 127.246 -1.646 1
1 456 . 17 1 1 A 38 38 ILE H H 38 8.860 8.633 0.227 1
1 457 . 17 1 1 A 38 38 ILE HA H 38 4.390 4.714 -0.324 1
1 467 . 17 1 1 A 38 38 ILE C C 38 173.100 174.033 -0.933 1
1 468 . 17 1 1 A 38 38 ILE CA C 38 59.000 59.208 -0.208 1
1 469 . 17 1 1 A 38 38 ILE CB C 38 40.900 41.819 -0.919 1
1 473 . 17 1 1 A 38 38 ILE N N 38 123.300 123.688 -0.388 1
1 474 . 17 1 1 A 39 39 GLY H H 39 8.600 8.696 -0.096 1
1 475 . 17 1 1 A 39 39 GLY HA2 H 39 2.920 3.819 -0.899 1
1 476 . 17 1 1 A 39 39 GLY HA3 H 39 5.060 3.845 1.215 1
1 477 . 17 1 1 A 39 39 GLY C C 39 170.400 171.373 -0.973 1
1 478 . 17 1 1 A 39 39 GLY CA C 39 43.800 43.541 0.259 1
1 479 . 17 1 1 A 39 39 GLY N N 39 109.500 113.836 -4.336 1
1 480 . 17 1 1 A 40 40 LEU H H 40 8.090 8.692 -0.602 1
1 481 . 17 1 1 A 40 40 LEU HA H 40 4.870 4.845 0.025 1
1 491 . 17 1 1 A 40 40 LEU C C 40 174.100 174.561 -0.461 1
1 492 . 17 1 1 A 40 40 LEU CA C 40 53.400 53.525 -0.125 1
1 493 . 17 1 1 A 40 40 LEU CB C 40 45.500 44.103 1.397 1
1 497 . 17 1 1 A 40 40 LEU N N 40 122.200 124.371 -2.171 1
1 498 . 17 1 1 A 41 41 PHE H H 41 9.180 9.648 -0.468 1
1 499 . 17 1 1 A 41 41 PHE HA H 41 4.620 5.106 -0.486 1
1 507 . 17 1 1 A 41 41 PHE C C 41 173.000 173.858 -0.858 1
1 508 . 17 1 1 A 41 41 PHE CA C 41 56.000 56.196 -0.196 1
1 509 . 17 1 1 A 41 41 PHE CB C 41 43.400 42.985 0.415 1
1 515 . 17 1 1 A 41 41 PHE N N 41 124.600 125.715 -1.115 1
1 516 . 17 1 1 A 42 42 LYS H H 42 8.460 8.958 -0.498 1
1 517 . 17 1 1 A 42 42 LYS HA H 42 4.320 4.830 -0.510 1
1 526 . 17 1 1 A 42 42 LYS C C 42 175.800 175.470 0.330 1
1 527 . 17 1 1 A 42 42 LYS CA C 42 54.700 54.270 0.430 1
1 528 . 17 1 1 A 42 42 LYS CB C 42 34.500 35.035 -0.535 1
1 532 . 17 1 1 A 42 42 LYS N N 42 120.800 121.346 -0.546 1
1 533 . 17 1 1 A 43 43 ASP H H 43 8.970 9.227 -0.257 1
1 534 . 17 1 1 A 43 43 ASP HA H 43 4.720 4.904 -0.184 1
1 537 . 17 1 1 A 43 43 ASP C C 43 175.800 176.085 -0.285 1
1 538 . 17 1 1 A 43 43 ASP CA C 43 52.100 52.050 0.050 1
1 539 . 17 1 1 A 43 43 ASP CB C 43 42.700 42.089 0.611 1
1 540 . 17 1 1 A 43 43 ASP N N 43 127.600 126.824 0.776 1
1 541 . 17 1 1 A 44 44 PRO HA H 44 4.320 4.486 -0.166 1
1 548 . 17 1 1 A 44 44 PRO C C 44 177.900 177.212 0.688 1
1 549 . 17 1 1 A 44 44 PRO CA C 44 64.300 64.060 0.240 1
1 550 . 17 1 1 A 44 44 PRO CB C 44 32.300 32.062 0.238 1
1 553 . 17 1 1 A 45 45 GLU H H 45 8.320 8.537 -0.217 1
1 554 . 17 1 1 A 45 45 GLU HA H 45 4.230 4.319 -0.089 1
1 559 . 17 1 1 A 45 45 GLU C C 45 177.800 178.269 -0.469 1
1 560 . 17 1 1 A 45 45 GLU CA C 45 58.600 59.010 -0.410 1
1 561 . 17 1 1 A 45 45 GLU CB C 45 30.700 30.725 -0.025 1
1 563 . 17 1 1 A 45 45 GLU N N 45 116.000 117.407 -1.407 1
1 564 . 17 1 1 A 46 46 THR H H 46 7.320 8.901 -1.581 1
1 565 . 17 1 1 A 46 46 THR HA H 46 4.460 4.394 0.066 1
1 570 . 17 1 1 A 46 46 THR C C 46 176.300 176.043 0.257 1
1 571 . 17 1 1 A 46 46 THR CA C 46 61.700 62.588 -0.888 1
1 572 . 17 1 1 A 46 46 THR CB C 46 71.500 70.428 1.072 1
1 574 . 17 1 1 A 46 46 THR N N 46 105.100 108.706 -3.606 1
1 575 . 17 1 1 A 47 47 GLY H H 47 8.550 8.109 0.441 1
1 576 . 17 1 1 A 47 47 GLY HA2 H 47 3.570 3.869 -0.299 1
1 577 . 17 1 1 A 47 47 GLY HA3 H 47 4.160 3.902 0.258 1
1 578 . 17 1 1 A 47 47 GLY C C 47 173.200 174.477 -1.277 1
1 579 . 17 1 1 A 47 47 GLY CA C 47 45.700 45.035 0.665 1
1 580 . 17 1 1 A 47 47 GLY N N 47 111.500 111.300 0.200 1
1 581 . 17 1 1 A 48 48 LYS H H 48 7.700 7.391 0.309 1
1 582 . 17 1 1 A 48 48 LYS HA H 48 4.410 4.479 -0.069 1
1 591 . 17 1 1 A 48 48 LYS C C 48 176.600 175.461 1.139 1
1 592 . 17 1 1 A 48 48 LYS CA C 48 55.800 56.046 -0.246 1
1 593 . 17 1 1 A 48 48 LYS CB C 48 33.900 33.444 0.456 1
1 597 . 17 1 1 A 48 48 LYS N N 48 118.800 120.145 -1.345 1
1 598 . 17 1 1 A 49 49 TYR H H 49 8.740 9.213 -0.473 1
1 599 . 17 1 1 A 49 49 TYR HA H 49 5.670 5.556 0.114 1
1 606 . 17 1 1 A 49 49 TYR C C 49 177.400 175.897 1.503 1
1 607 . 17 1 1 A 49 49 TYR CA C 49 58.200 56.968 1.232 1
1 608 . 17 1 1 A 49 49 TYR CB C 49 40.300 39.735 0.565 1
1 613 . 17 1 1 A 49 49 TYR N N 49 121.100 121.599 -0.499 1
1 614 . 17 1 1 A 50 50 PHE H H 50 9.630 9.355 0.275 1
1 615 . 17 1 1 A 50 50 PHE HA H 50 5.150 5.854 -0.704 1
1 623 . 17 1 1 A 50 50 PHE C C 50 172.500 173.568 -1.068 1
1 624 . 17 1 1 A 50 50 PHE CA C 50 56.200 55.347 0.853 1
1 625 . 17 1 1 A 50 50 PHE CB C 50 41.400 42.832 -1.432 1
1 631 . 17 1 1 A 50 50 PHE N N 50 118.400 120.323 -1.923 1
1 632 . 17 1 1 A 51 51 ARG H H 51 8.940 8.988 -0.048 1
1 633 . 17 1 1 A 51 51 ARG HA H 51 5.740 5.404 0.336 1
1 640 . 17 1 1 A 51 51 ARG C C 51 176.600 174.970 1.630 1
1 641 . 17 1 1 A 51 51 ARG CA C 51 54.900 55.128 -0.228 1
1 642 . 17 1 1 A 51 51 ARG CB C 51 32.700 32.315 0.385 1
1 645 . 17 1 1 A 51 51 ARG N N 51 120.700 119.283 1.417 1
1 646 . 17 1 1 A 52 52 HIS H H 52 9.130 9.093 0.037 1
1 647 . 17 1 1 A 52 52 HIS HA H 52 4.730 5.367 -0.637 1
1 651 . 17 1 1 A 52 52 HIS C C 52 173.900 173.443 0.457 1
1 652 . 17 1 1 A 52 52 HIS CA C 52 56.600 55.501 1.099 1
1 653 . 17 1 1 A 52 52 HIS CB C 52 33.700 33.824 -0.124 1
1 655 . 17 1 1 A 52 52 HIS N N 52 120.400 121.911 -1.511 1
1 656 . 17 1 1 A 53 53 LYS H H 53 8.770 7.855 0.915 1
1 657 . 17 1 1 A 53 53 LYS HA H 53 4.590 4.109 0.481 1
1 666 . 17 1 1 A 53 53 LYS C C 53 176.700 175.810 0.890 1
1 667 . 17 1 1 A 53 53 LYS CA C 53 58.000 56.158 1.842 1
1 668 . 17 1 1 A 53 53 LYS CB C 53 33.300 32.507 0.793 1
1 672 . 17 1 1 A 53 53 LYS N N 53 127.500 120.139 7.361 1
1 673 . 17 1 1 A 54 54 LEU H H 54 8.690 9.023 -0.333 1
1 674 . 17 1 1 A 54 54 LEU HA H 54 4.830 4.651 0.179 1
1 684 . 17 1 1 A 54 54 LEU C C 54 173.900 174.424 -0.524 1
1 685 . 17 1 1 A 54 54 LEU CA C 54 51.700 52.729 -1.029 1
1 686 . 17 1 1 A 54 54 LEU CB C 54 41.400 41.615 -0.215 1
1 690 . 17 1 1 A 54 54 LEU N N 54 125.400 124.400 1.000 1
1 691 . 17 1 1 A 55 55 PRO HA H 55 4.420 4.531 -0.111 1
1 698 . 17 1 1 A 55 55 PRO C C 55 177.100 177.275 -0.175 1
1 699 . 17 1 1 A 55 55 PRO CA C 55 62.900 62.840 0.060 1
1 700 . 17 1 1 A 55 55 PRO CB C 55 32.500 32.465 0.035 1
1 703 . 17 1 1 A 56 56 ASP H H 56 8.740 8.733 0.007 1
1 704 . 17 1 1 A 56 56 ASP HA H 56 4.440 4.345 0.095 1
1 707 . 17 1 1 A 56 56 ASP C C 56 177.200 176.902 0.298 1
1 708 . 17 1 1 A 56 56 ASP CA C 56 57.500 56.773 0.727 1
1 709 . 17 1 1 A 56 56 ASP CB C 56 40.500 40.506 -0.006 1
1 710 . 17 1 1 A 56 56 ASP N N 56 120.700 122.336 -1.636 1
1 711 . 17 1 1 A 57 57 ASP H H 57 8.350 7.900 0.450 1
1 712 . 17 1 1 A 57 57 ASP HA H 57 4.620 4.778 -0.158 1
1 715 . 17 1 1 A 57 57 ASP C C 57 176.300 175.870 0.430 1
1 716 . 17 1 1 A 57 57 ASP CA C 57 52.600 53.913 -1.313 1
1 717 . 17 1 1 A 57 57 ASP CB C 57 39.500 41.474 -1.974 1
1 718 . 17 1 1 A 57 57 ASP N N 57 116.400 117.493 -1.093 1
1 719 . 17 1 1 A 58 58 TYR H H 58 7.890 7.772 0.118 1
1 720 . 17 1 1 A 58 58 TYR HA H 58 4.350 4.680 -0.330 1
1 727 . 17 1 1 A 58 58 TYR C C 58 174.400 174.529 -0.129 1
1 728 . 17 1 1 A 58 58 TYR CA C 58 58.400 57.180 1.220 1
1 729 . 17 1 1 A 58 58 TYR CB C 58 40.300 39.658 0.642 1
1 734 . 17 1 1 A 58 58 TYR N N 58 125.500 124.100 1.400 1
1 735 . 17 1 1 A 59 59 PRO HA H 59 4.360 4.693 -0.333 1
1 742 . 17 1 1 A 59 59 PRO C C 59 174.700 176.453 -1.753 1
1 743 . 17 1 1 A 59 59 PRO CA C 59 63.400 62.258 1.142 1
1 744 . 17 1 1 A 59 59 PRO CB C 59 31.100 31.370 -0.270 1
1 1 . 18 1 1 A 3 3 SER HA H 3 4.520 4.592 -0.072 1
1 4 . 18 1 1 A 3 3 SER C C 3 174.700 174.879 -0.179 1
1 5 . 18 1 1 A 3 3 SER CA C 3 58.400 58.859 -0.459 1
1 6 . 18 1 1 A 3 3 SER CB C 3 64.000 62.919 1.081 1
1 7 . 18 1 1 A 4 4 GLY H H 4 8.350 8.555 -0.205 1
1 8 . 18 1 1 A 4 4 GLY HA2 H 4 3.910 4.079 -0.169 1
1 9 . 18 1 1 A 4 4 GLY HA3 H 4 4.050 4.081 -0.031 1
1 10 . 18 1 1 A 4 4 GLY C C 4 173.800 174.401 -0.601 1
1 11 . 18 1 1 A 4 4 GLY CA C 4 45.300 45.910 -0.610 1
1 12 . 18 1 1 A 4 4 GLY N N 4 110.300 112.391 -2.091 1
1 13 . 18 1 1 A 5 5 LYS H H 5 8.110 7.648 0.462 1
1 14 . 18 1 1 A 5 5 LYS HA H 5 4.310 4.419 -0.109 1
1 23 . 18 1 1 A 5 5 LYS C C 5 175.700 175.981 -0.281 1
1 24 . 18 1 1 A 5 5 LYS CA C 5 56.100 56.198 -0.098 1
1 25 . 18 1 1 A 5 5 LYS CB C 5 33.200 32.974 0.226 1
1 29 . 18 1 1 A 5 5 LYS N N 5 120.500 118.100 2.400 1
1 30 . 18 1 1 A 6 6 LYS H H 6 7.980 8.974 -0.994 1
1 31 . 18 1 1 A 6 6 LYS HA H 6 4.730 5.141 -0.411 1
1 40 . 18 1 1 A 6 6 LYS C C 6 174.800 174.921 -0.121 1
1 41 . 18 1 1 A 6 6 LYS CA C 6 54.000 53.551 0.449 1
1 42 . 18 1 1 A 6 6 LYS CB C 6 33.300 33.471 -0.171 1
1 46 . 18 1 1 A 6 6 LYS N N 6 121.900 120.478 1.422 1
1 47 . 18 1 1 A 7 7 PRO HA H 7 4.610 4.903 -0.293 1
1 54 . 18 1 1 A 7 7 PRO C C 7 175.900 175.760 0.140 1
1 55 . 18 1 1 A 7 7 PRO CA C 7 62.500 62.333 0.167 1
1 56 . 18 1 1 A 7 7 PRO CB C 7 32.600 32.809 -0.209 1
1 59 . 18 1 1 A 8 8 VAL H H 8 9.040 8.444 0.596 1
1 60 . 18 1 1 A 8 8 VAL HA H 8 4.430 4.466 -0.036 1
1 68 . 18 1 1 A 8 8 VAL C C 8 173.900 175.186 -1.286 1
1 69 . 18 1 1 A 8 8 VAL CA C 8 60.200 59.875 0.325 1
1 70 . 18 1 1 A 8 8 VAL CB C 8 35.600 33.799 1.801 1
1 73 . 18 1 1 A 8 8 VAL N N 8 119.900 121.352 -1.452 1
1 74 . 18 1 1 A 9 9 LYS H H 9 8.390 8.500 -0.110 1
1 75 . 18 1 1 A 9 9 LYS HA H 9 4.610 4.447 0.163 1
1 84 . 18 1 1 A 9 9 LYS C C 9 175.500 175.138 0.362 1
1 85 . 18 1 1 A 9 9 LYS CA C 9 56.800 56.598 0.202 1
1 86 . 18 1 1 A 9 9 LYS CB C 9 31.700 32.718 -1.018 1
1 90 . 18 1 1 A 9 9 LYS N N 9 125.800 129.234 -3.434 1
1 91 . 18 1 1 A 10 10 VAL H H 10 8.740 8.920 -0.180 1
1 92 . 18 1 1 A 10 10 VAL HA H 10 4.040 4.658 -0.618 1
1 100 . 18 1 1 A 10 10 VAL C C 10 173.600 174.293 -0.693 1
1 101 . 18 1 1 A 10 10 VAL CA C 10 58.600 59.243 -0.643 1
1 102 . 18 1 1 A 10 10 VAL CB C 10 35.200 35.224 -0.024 1
1 105 . 18 1 1 A 10 10 VAL N N 10 120.700 125.959 -5.259 1
1 106 . 18 1 1 A 11 11 LYS H H 11 7.320 8.096 -0.776 1
1 107 . 18 1 1 A 11 11 LYS HA H 11 5.000 4.557 0.443 1
1 116 . 18 1 1 A 11 11 LYS C C 11 176.600 177.205 -0.605 1
1 117 . 18 1 1 A 11 11 LYS CA C 11 54.800 56.174 -1.374 1
1 118 . 18 1 1 A 11 11 LYS CB C 11 33.700 33.278 0.422 1
1 122 . 18 1 1 A 11 11 LYS N N 11 120.600 126.057 -5.457 1
1 123 . 18 1 1 A 12 12 THR H H 12 8.950 9.312 -0.362 1
1 124 . 18 1 1 A 12 12 THR HA H 12 3.700 4.335 -0.635 1
1 129 . 18 1 1 A 12 12 THR C C 12 175.100 174.733 0.367 1
1 130 . 18 1 1 A 12 12 THR CA C 12 59.700 59.865 -0.165 1
1 131 . 18 1 1 A 12 12 THR CB C 12 67.700 68.670 -0.970 1
1 133 . 18 1 1 A 12 12 THR N N 12 115.400 117.647 -2.247 1
1 134 . 18 1 1 A 13 13 PRO HA H 13 4.180 4.359 -0.179 1
1 141 . 18 1 1 A 13 13 PRO C C 13 177.000 177.193 -0.193 1
1 142 . 18 1 1 A 13 13 PRO CA C 13 65.000 63.885 1.115 1
1 143 . 18 1 1 A 13 13 PRO CB C 13 31.400 31.616 -0.216 1
1 146 . 18 1 1 A 14 14 ALA H H 14 7.240 7.672 -0.432 1
1 147 . 18 1 1 A 14 14 ALA HA H 14 4.310 4.210 0.100 1
1 151 . 18 1 1 A 14 14 ALA C C 14 177.900 177.287 0.613 1
1 152 . 18 1 1 A 14 14 ALA CA C 14 52.200 52.463 -0.263 1
1 153 . 18 1 1 A 14 14 ALA CB C 14 19.000 19.570 -0.570 1
1 154 . 18 1 1 A 14 14 ALA N N 14 116.100 118.543 -2.443 1
1 155 . 18 1 1 A 15 15 GLY H H 15 8.310 7.551 0.759 1
1 156 . 18 1 1 A 15 15 GLY HA2 H 15 3.520 3.971 -0.451 1
1 157 . 18 1 1 A 15 15 GLY HA3 H 15 4.220 3.980 0.240 1
1 158 . 18 1 1 A 15 15 GLY C C 15 174.000 174.583 -0.583 1
1 159 . 18 1 1 A 15 15 GLY CA C 15 45.300 45.338 -0.038 1
1 160 . 18 1 1 A 15 15 GLY N N 15 107.000 106.153 0.847 1
1 161 . 18 1 1 A 16 16 LYS H H 16 6.960 7.811 -0.851 1
1 162 . 18 1 1 A 16 16 LYS HA H 16 4.490 4.367 0.123 1
1 171 . 18 1 1 A 16 16 LYS C C 16 175.400 175.279 0.121 1
1 172 . 18 1 1 A 16 16 LYS CA C 16 54.800 56.079 -1.279 1
1 173 . 18 1 1 A 16 16 LYS CB C 16 33.900 33.036 0.864 1
1 177 . 18 1 1 A 16 16 LYS N N 16 119.200 119.852 -0.652 1
1 178 . 18 1 1 A 17 17 GLU H H 17 8.520 8.462 0.058 1
1 179 . 18 1 1 A 17 17 GLU HA H 17 4.990 5.171 -0.181 1
1 184 . 18 1 1 A 17 17 GLU C C 17 175.800 175.667 0.133 1
1 185 . 18 1 1 A 17 17 GLU CA C 17 55.900 54.898 1.002 1
1 186 . 18 1 1 A 17 17 GLU CB C 17 30.900 32.079 -1.179 1
1 188 . 18 1 1 A 17 17 GLU N N 17 122.200 120.264 1.936 1
1 189 . 18 1 1 A 18 18 ALA H H 18 8.870 8.915 -0.045 1
1 190 . 18 1 1 A 18 18 ALA HA H 18 4.620 4.982 -0.362 1
1 194 . 18 1 1 A 18 18 ALA C C 18 174.600 176.150 -1.550 1
1 195 . 18 1 1 A 18 18 ALA CA C 18 51.000 50.644 0.356 1
1 196 . 18 1 1 A 18 18 ALA CB C 18 22.300 23.157 -0.857 1
1 197 . 18 1 1 A 18 18 ALA N N 18 127.200 124.857 2.343 1
1 198 . 18 1 1 A 19 19 GLU H H 19 8.450 8.494 -0.044 1
1 199 . 18 1 1 A 19 19 GLU HA H 19 4.830 4.817 0.013 1
1 204 . 18 1 1 A 19 19 GLU C C 19 175.200 175.432 -0.232 1
1 205 . 18 1 1 A 19 19 GLU CA C 19 55.400 56.281 -0.881 1
1 206 . 18 1 1 A 19 19 GLU CB C 19 30.100 30.118 -0.018 1
1 208 . 18 1 1 A 19 19 GLU N N 19 121.700 121.218 0.482 1
1 209 . 18 1 1 A 20 20 LEU H H 20 8.470 8.988 -0.518 1
1 210 . 18 1 1 A 20 20 LEU HA H 20 5.030 5.005 0.025 1
1 220 . 18 1 1 A 20 20 LEU C C 20 175.600 175.381 0.219 1
1 221 . 18 1 1 A 20 20 LEU CA C 20 53.000 53.595 -0.595 1
1 222 . 18 1 1 A 20 20 LEU CB C 20 47.600 44.997 2.603 1
1 226 . 18 1 1 A 20 20 LEU N N 20 124.600 126.364 -1.764 1
1 227 . 18 1 1 A 21 21 VAL H H 21 8.880 8.991 -0.111 1
1 228 . 18 1 1 A 21 21 VAL HA H 21 4.540 4.733 -0.193 1
1 236 . 18 1 1 A 21 21 VAL C C 21 175.000 174.288 0.712 1
1 237 . 18 1 1 A 21 21 VAL CA C 21 59.400 59.812 -0.412 1
1 238 . 18 1 1 A 21 21 VAL CB C 21 33.300 33.174 0.126 1
1 241 . 18 1 1 A 21 21 VAL N N 21 123.200 125.536 -2.336 1
1 242 . 18 1 1 A 22 22 PRO HA H 22 3.520 4.169 -0.649 1
1 249 . 18 1 1 A 22 22 PRO C C 22 176.300 177.350 -1.050 1
1 250 . 18 1 1 A 22 22 PRO CA C 22 62.600 62.493 0.107 1
1 251 . 18 1 1 A 22 22 PRO CB C 22 30.800 32.212 -1.412 1
1 254 . 18 1 1 A 23 23 GLU H H 23 8.830 9.381 -0.551 1
1 255 . 18 1 1 A 23 23 GLU HA H 23 4.070 4.218 -0.148 1
1 260 . 18 1 1 A 23 23 GLU C C 23 176.700 176.609 0.091 1
1 261 . 18 1 1 A 23 23 GLU CA C 23 57.700 59.523 -1.823 1
1 262 . 18 1 1 A 23 23 GLU CB C 23 30.900 31.124 -0.224 1
1 264 . 18 1 1 A 23 23 GLU N N 23 121.200 120.224 0.976 1
1 265 . 18 1 1 A 24 24 LYS H H 24 7.120 7.660 -0.540 1
1 266 . 18 1 1 A 24 24 LYS HA H 24 4.480 4.855 -0.375 1
1 275 . 18 1 1 A 24 24 LYS C C 24 173.900 174.413 -0.513 1
1 276 . 18 1 1 A 24 24 LYS CA C 24 55.000 55.198 -0.198 1
1 277 . 18 1 1 A 24 24 LYS CB C 24 36.800 35.922 0.878 1
1 281 . 18 1 1 A 24 24 LYS N N 24 114.600 114.410 0.190 1
1 282 . 18 1 1 A 25 25 VAL H H 25 8.240 8.723 -0.483 1
1 283 . 18 1 1 A 25 25 VAL HA H 25 5.030 4.999 0.031 1
1 291 . 18 1 1 A 25 25 VAL C C 25 174.500 174.701 -0.201 1
1 292 . 18 1 1 A 25 25 VAL CA C 25 60.200 59.688 0.512 1
1 293 . 18 1 1 A 25 25 VAL CB C 25 35.400 35.800 -0.400 1
1 296 . 18 1 1 A 25 25 VAL N N 25 117.400 116.531 0.869 1
1 297 . 18 1 1 A 26 26 TRP H H 26 9.130 8.833 0.297 1
1 298 . 18 1 1 A 26 26 TRP HA H 26 4.880 5.522 -0.642 1
1 307 . 18 1 1 A 26 26 TRP C C 26 172.600 173.599 -0.999 1
1 308 . 18 1 1 A 26 26 TRP CA C 26 57.800 55.436 2.364 1
1 309 . 18 1 1 A 26 26 TRP CB C 26 31.500 32.352 -0.852 1
1 315 . 18 1 1 A 26 26 TRP N N 26 122.500 120.833 1.667 1
1 317 . 18 1 1 A 27 27 ALA H H 27 8.640 8.885 -0.245 1
1 318 . 18 1 1 A 27 27 ALA HA H 27 5.170 5.560 -0.390 1
1 322 . 18 1 1 A 27 27 ALA C C 27 177.000 175.952 1.048 1
1 323 . 18 1 1 A 27 27 ALA CA C 27 50.500 50.671 -0.171 1
1 324 . 18 1 1 A 27 27 ALA CB C 27 21.000 22.928 -1.928 1
1 325 . 18 1 1 A 27 27 ALA N N 27 122.200 121.996 0.204 1
1 326 . 18 1 1 A 28 28 LEU H H 28 8.860 9.323 -0.463 1
1 327 . 18 1 1 A 28 28 LEU HA H 28 4.590 5.194 -0.604 1
1 337 . 18 1 1 A 28 28 LEU C C 28 176.100 175.142 0.958 1
1 338 . 18 1 1 A 28 28 LEU CA C 28 54.500 53.452 1.048 1
1 339 . 18 1 1 A 28 28 LEU CB C 28 43.100 42.971 0.129 1
1 343 . 18 1 1 A 28 28 LEU N N 28 123.300 122.118 1.182 1
1 344 . 18 1 1 A 29 29 ALA H H 29 8.540 8.890 -0.350 1
1 345 . 18 1 1 A 29 29 ALA HA H 29 4.820 5.006 -0.186 1
1 349 . 18 1 1 A 29 29 ALA C C 29 174.300 175.686 -1.386 1
1 350 . 18 1 1 A 29 29 ALA CA C 29 50.000 49.270 0.730 1
1 351 . 18 1 1 A 29 29 ALA CB C 29 19.000 20.096 -1.096 1
1 352 . 18 1 1 A 29 29 ALA N N 29 125.900 126.809 -0.909 1
1 353 . 18 1 1 A 30 30 PRO HA H 30 4.440 4.481 -0.041 1
1 360 . 18 1 1 A 30 30 PRO C C 30 176.800 177.330 -0.530 1
1 361 . 18 1 1 A 30 30 PRO CA C 30 62.600 63.549 -0.949 1
1 362 . 18 1 1 A 30 30 PRO CB C 30 31.900 31.276 0.624 1
1 365 . 18 1 1 A 31 31 LYS H H 31 8.370 8.803 -0.433 1
1 366 . 18 1 1 A 31 31 LYS HA H 31 4.170 4.194 -0.024 1
1 375 . 18 1 1 A 31 31 LYS C C 31 177.700 175.755 1.945 1
1 376 . 18 1 1 A 31 31 LYS CA C 31 57.300 58.223 -0.923 1
1 377 . 18 1 1 A 31 31 LYS CB C 31 32.000 32.411 -0.411 1
1 381 . 18 1 1 A 31 31 LYS N N 31 121.500 123.910 -2.410 1
1 382 . 18 1 1 A 32 32 GLY H H 32 8.720 8.197 0.523 1
1 383 . 18 1 1 A 32 32 GLY HA2 H 32 3.780 4.150 -0.370 1
1 384 . 18 1 1 A 32 32 GLY HA3 H 32 4.120 4.152 -0.032 1
1 385 . 18 1 1 A 32 32 GLY C C 32 173.900 172.220 1.680 1
1 386 . 18 1 1 A 32 32 GLY CA C 32 45.700 44.940 0.760 1
1 387 . 18 1 1 A 32 32 GLY N N 32 112.200 105.535 6.665 1
1 388 . 18 1 1 A 33 33 ARG H H 33 7.790 8.676 -0.886 1
1 389 . 18 1 1 A 33 33 ARG HA H 33 4.590 4.722 -0.132 1
1 396 . 18 1 1 A 33 33 ARG C C 33 175.200 175.587 -0.387 1
1 397 . 18 1 1 A 33 33 ARG CA C 33 54.700 54.950 -0.250 1
1 398 . 18 1 1 A 33 33 ARG CB C 33 32.300 33.404 -1.104 1
1 401 . 18 1 1 A 33 33 ARG N N 33 118.800 123.557 -4.757 1
1 402 . 18 1 1 A 34 34 LYS H H 34 8.190 8.971 -0.781 1
1 403 . 18 1 1 A 34 34 LYS HA H 34 4.280 4.098 0.182 1
1 412 . 18 1 1 A 34 34 LYS C C 34 176.700 176.697 0.003 1
1 413 . 18 1 1 A 34 34 LYS CA C 34 56.800 56.894 -0.094 1
1 414 . 18 1 1 A 34 34 LYS CB C 34 32.900 33.765 -0.865 1
1 418 . 18 1 1 A 34 34 LYS N N 34 120.600 123.693 -3.093 1
1 419 . 18 1 1 A 35 35 GLY H H 35 8.490 7.942 0.548 1
1 420 . 18 1 1 A 35 35 GLY HA2 H 35 3.900 4.036 -0.136 1
1 421 . 18 1 1 A 35 35 GLY HA3 H 35 4.260 4.038 0.222 1
1 422 . 18 1 1 A 35 35 GLY C C 35 173.200 173.593 -0.393 1
1 423 . 18 1 1 A 35 35 GLY CA C 35 45.500 44.773 0.727 1
1 424 . 18 1 1 A 35 35 GLY N N 35 110.400 107.189 3.211 1
1 425 . 18 1 1 A 36 36 VAL H H 36 8.130 9.048 -0.918 1
1 426 . 18 1 1 A 36 36 VAL HA H 36 4.380 4.109 0.271 1
1 434 . 18 1 1 A 36 36 VAL C C 36 174.100 175.105 -1.005 1
1 435 . 18 1 1 A 36 36 VAL CA C 36 61.500 62.550 -1.050 1
1 436 . 18 1 1 A 36 36 VAL CB C 36 34.700 31.604 3.096 1
1 438 . 18 1 1 A 36 36 VAL N N 36 119.000 124.365 -5.365 1
1 439 . 18 1 1 A 37 37 LYS H H 37 9.020 8.727 0.293 1
1 440 . 18 1 1 A 37 37 LYS HA H 37 5.070 5.057 0.013 1
1 449 . 18 1 1 A 37 37 LYS C C 37 174.700 175.526 -0.826 1
1 450 . 18 1 1 A 37 37 LYS CA C 37 55.400 55.283 0.117 1
1 451 . 18 1 1 A 37 37 LYS CB C 37 35.700 34.496 1.204 1
1 455 . 18 1 1 A 37 37 LYS N N 37 125.600 127.466 -1.866 1
1 456 . 18 1 1 A 38 38 ILE H H 38 8.860 8.658 0.202 1
1 457 . 18 1 1 A 38 38 ILE HA H 38 4.390 4.841 -0.451 1
1 467 . 18 1 1 A 38 38 ILE C C 38 173.100 174.200 -1.100 1
1 468 . 18 1 1 A 38 38 ILE CA C 38 59.000 59.384 -0.384 1
1 469 . 18 1 1 A 38 38 ILE CB C 38 40.900 41.412 -0.512 1
1 473 . 18 1 1 A 38 38 ILE N N 38 123.300 123.376 -0.076 1
1 474 . 18 1 1 A 39 39 GLY H H 39 8.600 8.840 -0.240 1
1 475 . 18 1 1 A 39 39 GLY HA2 H 39 2.920 3.746 -0.826 1
1 476 . 18 1 1 A 39 39 GLY HA3 H 39 5.060 3.784 1.276 1
1 477 . 18 1 1 A 39 39 GLY C C 39 170.400 171.174 -0.774 1
1 478 . 18 1 1 A 39 39 GLY CA C 39 43.800 43.470 0.330 1
1 479 . 18 1 1 A 39 39 GLY N N 39 109.500 114.153 -4.653 1
1 480 . 18 1 1 A 40 40 LEU H H 40 8.090 8.554 -0.464 1
1 481 . 18 1 1 A 40 40 LEU HA H 40 4.870 4.820 0.050 1
1 491 . 18 1 1 A 40 40 LEU C C 40 174.100 174.583 -0.483 1
1 492 . 18 1 1 A 40 40 LEU CA C 40 53.400 53.352 0.048 1
1 493 . 18 1 1 A 40 40 LEU CB C 40 45.500 44.072 1.428 1
1 497 . 18 1 1 A 40 40 LEU N N 40 122.200 124.293 -2.093 1
1 498 . 18 1 1 A 41 41 PHE H H 41 9.180 9.638 -0.458 1
1 499 . 18 1 1 A 41 41 PHE HA H 41 4.620 5.128 -0.508 1
1 507 . 18 1 1 A 41 41 PHE C C 41 173.000 173.952 -0.952 1
1 508 . 18 1 1 A 41 41 PHE CA C 41 56.000 56.065 -0.065 1
1 509 . 18 1 1 A 41 41 PHE CB C 41 43.400 43.120 0.280 1
1 515 . 18 1 1 A 41 41 PHE N N 41 124.600 125.537 -0.937 1
1 516 . 18 1 1 A 42 42 LYS H H 42 8.460 8.796 -0.336 1
1 517 . 18 1 1 A 42 42 LYS HA H 42 4.320 5.001 -0.681 1
1 526 . 18 1 1 A 42 42 LYS C C 42 175.800 174.427 1.373 1
1 527 . 18 1 1 A 42 42 LYS CA C 42 54.700 54.507 0.193 1
1 528 . 18 1 1 A 42 42 LYS CB C 42 34.500 35.806 -1.306 1
1 532 . 18 1 1 A 42 42 LYS N N 42 120.800 120.677 0.123 1
1 533 . 18 1 1 A 43 43 ASP H H 43 8.970 8.987 -0.017 1
1 534 . 18 1 1 A 43 43 ASP HA H 43 4.720 4.927 -0.207 1
1 537 . 18 1 1 A 43 43 ASP C C 43 175.800 175.496 0.304 1
1 538 . 18 1 1 A 43 43 ASP CA C 43 52.100 51.278 0.822 1
1 539 . 18 1 1 A 43 43 ASP CB C 43 42.700 42.093 0.607 1
1 540 . 18 1 1 A 43 43 ASP N N 43 127.600 126.534 1.066 1
1 541 . 18 1 1 A 44 44 PRO HA H 44 4.320 4.447 -0.127 1
1 548 . 18 1 1 A 44 44 PRO C C 44 177.900 178.098 -0.198 1
1 549 . 18 1 1 A 44 44 PRO CA C 44 64.300 64.176 0.124 1
1 550 . 18 1 1 A 44 44 PRO CB C 44 32.300 31.800 0.500 1
1 553 . 18 1 1 A 45 45 GLU H H 45 8.320 8.333 -0.013 1
1 554 . 18 1 1 A 45 45 GLU HA H 45 4.230 4.182 0.048 1
1 559 . 18 1 1 A 45 45 GLU C C 45 177.800 178.519 -0.719 1
1 560 . 18 1 1 A 45 45 GLU CA C 45 58.600 59.395 -0.795 1
1 561 . 18 1 1 A 45 45 GLU CB C 45 30.700 30.187 0.513 1
1 563 . 18 1 1 A 45 45 GLU N N 45 116.000 118.004 -2.004 1
1 564 . 18 1 1 A 46 46 THR H H 46 7.320 8.618 -1.298 1
1 565 . 18 1 1 A 46 46 THR HA H 46 4.460 4.438 0.022 1
1 570 . 18 1 1 A 46 46 THR C C 46 176.300 176.045 0.255 1
1 571 . 18 1 1 A 46 46 THR CA C 46 61.700 62.524 -0.824 1
1 572 . 18 1 1 A 46 46 THR CB C 46 71.500 70.381 1.119 1
1 574 . 18 1 1 A 46 46 THR N N 46 105.100 109.337 -4.237 1
1 575 . 18 1 1 A 47 47 GLY H H 47 8.550 8.908 -0.358 1
1 576 . 18 1 1 A 47 47 GLY HA2 H 47 3.570 3.899 -0.329 1
1 577 . 18 1 1 A 47 47 GLY HA3 H 47 4.160 3.930 0.230 1
1 578 . 18 1 1 A 47 47 GLY C C 47 173.200 173.846 -0.646 1
1 579 . 18 1 1 A 47 47 GLY CA C 47 45.700 45.872 -0.172 1
1 580 . 18 1 1 A 47 47 GLY N N 47 111.500 112.238 -0.738 1
1 581 . 18 1 1 A 48 48 LYS H H 48 7.700 7.654 0.046 1
1 582 . 18 1 1 A 48 48 LYS HA H 48 4.410 5.064 -0.654 1
1 591 . 18 1 1 A 48 48 LYS C C 48 176.600 174.669 1.931 1
1 592 . 18 1 1 A 48 48 LYS CA C 48 55.800 54.176 1.624 1
1 593 . 18 1 1 A 48 48 LYS CB C 48 33.900 36.382 -2.482 1
1 597 . 18 1 1 A 48 48 LYS N N 48 118.800 115.633 3.167 1
1 598 . 18 1 1 A 49 49 TYR H H 49 8.740 9.057 -0.317 1
1 599 . 18 1 1 A 49 49 TYR HA H 49 5.670 5.662 0.008 1
1 606 . 18 1 1 A 49 49 TYR C C 49 177.400 175.667 1.733 1
1 607 . 18 1 1 A 49 49 TYR CA C 49 58.200 56.669 1.531 1
1 608 . 18 1 1 A 49 49 TYR CB C 49 40.300 40.136 0.164 1
1 613 . 18 1 1 A 49 49 TYR N N 49 121.100 121.243 -0.143 1
1 614 . 18 1 1 A 50 50 PHE H H 50 9.630 9.336 0.294 1
1 615 . 18 1 1 A 50 50 PHE HA H 50 5.150 5.703 -0.553 1
1 623 . 18 1 1 A 50 50 PHE C C 50 172.500 173.461 -0.961 1
1 624 . 18 1 1 A 50 50 PHE CA C 50 56.200 55.298 0.902 1
1 625 . 18 1 1 A 50 50 PHE CB C 50 41.400 42.749 -1.349 1
1 631 . 18 1 1 A 50 50 PHE N N 50 118.400 119.518 -1.118 1
1 632 . 18 1 1 A 51 51 ARG H H 51 8.940 8.994 -0.054 1
1 633 . 18 1 1 A 51 51 ARG HA H 51 5.740 5.381 0.359 1
1 640 . 18 1 1 A 51 51 ARG C C 51 176.600 174.950 1.650 1
1 641 . 18 1 1 A 51 51 ARG CA C 51 54.900 55.123 -0.223 1
1 642 . 18 1 1 A 51 51 ARG CB C 51 32.700 31.895 0.805 1
1 645 . 18 1 1 A 51 51 ARG N N 51 120.700 120.192 0.508 1
1 646 . 18 1 1 A 52 52 HIS H H 52 9.130 9.105 0.025 1
1 647 . 18 1 1 A 52 52 HIS HA H 52 4.730 5.439 -0.709 1
1 651 . 18 1 1 A 52 52 HIS C C 52 173.900 172.929 0.971 1
1 652 . 18 1 1 A 52 52 HIS CA C 52 56.600 54.916 1.684 1
1 653 . 18 1 1 A 52 52 HIS CB C 52 33.700 33.955 -0.255 1
1 655 . 18 1 1 A 52 52 HIS N N 52 120.400 123.094 -2.694 1
1 656 . 18 1 1 A 53 53 LYS H H 53 8.770 8.080 0.690 1
1 657 . 18 1 1 A 53 53 LYS HA H 53 4.590 4.398 0.192 1
1 666 . 18 1 1 A 53 53 LYS C C 53 176.700 176.441 0.259 1
1 667 . 18 1 1 A 53 53 LYS CA C 53 58.000 56.642 1.358 1
1 668 . 18 1 1 A 53 53 LYS CB C 53 33.300 33.241 0.059 1
1 672 . 18 1 1 A 53 53 LYS N N 53 127.500 127.299 0.201 1
1 673 . 18 1 1 A 54 54 LEU H H 54 8.690 9.109 -0.419 1
1 674 . 18 1 1 A 54 54 LEU HA H 54 4.830 4.738 0.092 1
1 684 . 18 1 1 A 54 54 LEU C C 54 173.900 174.604 -0.704 1
1 685 . 18 1 1 A 54 54 LEU CA C 54 51.700 52.498 -0.798 1
1 686 . 18 1 1 A 54 54 LEU CB C 54 41.400 41.864 -0.464 1
1 690 . 18 1 1 A 54 54 LEU N N 54 125.400 126.375 -0.975 1
1 691 . 18 1 1 A 55 55 PRO HA H 55 4.420 4.629 -0.209 1
1 698 . 18 1 1 A 55 55 PRO C C 55 177.100 177.517 -0.417 1
1 699 . 18 1 1 A 55 55 PRO CA C 55 62.900 62.871 0.029 1
1 700 . 18 1 1 A 55 55 PRO CB C 55 32.500 32.337 0.163 1
1 703 . 18 1 1 A 56 56 ASP H H 56 8.740 8.701 0.039 1
1 704 . 18 1 1 A 56 56 ASP HA H 56 4.440 4.311 0.129 1
1 707 . 18 1 1 A 56 56 ASP C C 56 177.200 177.552 -0.352 1
1 708 . 18 1 1 A 56 56 ASP CA C 56 57.500 57.136 0.364 1
1 709 . 18 1 1 A 56 56 ASP CB C 56 40.500 40.642 -0.142 1
1 710 . 18 1 1 A 56 56 ASP N N 56 120.700 122.324 -1.624 1
1 711 . 18 1 1 A 57 57 ASP H H 57 8.350 7.795 0.555 1
1 712 . 18 1 1 A 57 57 ASP HA H 57 4.620 4.676 -0.056 1
1 715 . 18 1 1 A 57 57 ASP C C 57 176.300 175.783 0.517 1
1 716 . 18 1 1 A 57 57 ASP CA C 57 52.600 54.590 -1.990 1
1 717 . 18 1 1 A 57 57 ASP CB C 57 39.500 41.124 -1.624 1
1 718 . 18 1 1 A 57 57 ASP N N 57 116.400 117.650 -1.250 1
1 719 . 18 1 1 A 58 58 TYR H H 58 7.890 7.887 0.003 1
1 720 . 18 1 1 A 58 58 TYR HA H 58 4.350 4.669 -0.319 1
1 727 . 18 1 1 A 58 58 TYR C C 58 174.400 174.235 0.165 1
1 728 . 18 1 1 A 58 58 TYR CA C 58 58.400 57.090 1.310 1
1 729 . 18 1 1 A 58 58 TYR CB C 58 40.300 39.547 0.753 1
1 734 . 18 1 1 A 58 58 TYR N N 58 125.500 121.886 3.614 1
1 735 . 18 1 1 A 59 59 PRO HA H 59 4.360 4.495 -0.135 1
1 742 . 18 1 1 A 59 59 PRO C C 59 174.700 176.414 -1.714 1
1 743 . 18 1 1 A 59 59 PRO CA C 59 63.400 62.276 1.124 1
1 744 . 18 1 1 A 59 59 PRO CB C 59 31.100 32.000 -0.900 1
1 1 . 19 1 1 A 3 3 SER HA H 3 4.520 4.837 -0.317 1
1 4 . 19 1 1 A 3 3 SER C C 3 174.700 175.246 -0.546 1
1 5 . 19 1 1 A 3 3 SER CA C 3 58.400 57.760 0.640 1
1 6 . 19 1 1 A 3 3 SER CB C 3 64.000 63.498 0.502 1
1 7 . 19 1 1 A 4 4 GLY H H 4 8.350 8.245 0.105 1
1 8 . 19 1 1 A 4 4 GLY HA2 H 4 3.910 3.885 0.025 1
1 9 . 19 1 1 A 4 4 GLY HA3 H 4 4.050 3.888 0.162 1
1 10 . 19 1 1 A 4 4 GLY C C 4 173.800 173.416 0.384 1
1 11 . 19 1 1 A 4 4 GLY CA C 4 45.300 45.573 -0.273 1
1 12 . 19 1 1 A 4 4 GLY N N 4 110.300 109.840 0.460 1
1 13 . 19 1 1 A 5 5 LYS H H 5 8.110 7.522 0.588 1
1 14 . 19 1 1 A 5 5 LYS HA H 5 4.310 4.973 -0.663 1
1 23 . 19 1 1 A 5 5 LYS C C 5 175.700 174.680 1.020 1
1 24 . 19 1 1 A 5 5 LYS CA C 5 56.100 54.405 1.695 1
1 25 . 19 1 1 A 5 5 LYS CB C 5 33.200 36.884 -3.684 1
1 29 . 19 1 1 A 5 5 LYS N N 5 120.500 118.353 2.147 1
1 30 . 19 1 1 A 6 6 LYS H H 6 7.980 8.860 -0.880 1
1 31 . 19 1 1 A 6 6 LYS HA H 6 4.730 4.907 -0.177 1
1 40 . 19 1 1 A 6 6 LYS C C 6 174.800 174.951 -0.151 1
1 41 . 19 1 1 A 6 6 LYS CA C 6 54.000 53.017 0.983 1
1 42 . 19 1 1 A 6 6 LYS CB C 6 33.300 36.396 -3.096 1
1 46 . 19 1 1 A 6 6 LYS N N 6 121.900 121.925 -0.025 1
1 47 . 19 1 1 A 7 7 PRO HA H 7 4.610 5.087 -0.477 1
1 54 . 19 1 1 A 7 7 PRO C C 7 175.900 175.354 0.546 1
1 55 . 19 1 1 A 7 7 PRO CA C 7 62.500 62.545 -0.045 1
1 56 . 19 1 1 A 7 7 PRO CB C 7 32.600 32.525 0.075 1
1 59 . 19 1 1 A 8 8 VAL H H 8 9.040 8.913 0.127 1
1 60 . 19 1 1 A 8 8 VAL HA H 8 4.430 4.700 -0.270 1
1 68 . 19 1 1 A 8 8 VAL C C 8 173.900 174.037 -0.137 1
1 69 . 19 1 1 A 8 8 VAL CA C 8 60.200 59.370 0.830 1
1 70 . 19 1 1 A 8 8 VAL CB C 8 35.600 35.113 0.487 1
1 73 . 19 1 1 A 8 8 VAL N N 8 119.900 122.231 -2.331 1
1 74 . 19 1 1 A 9 9 LYS H H 9 8.390 8.580 -0.190 1
1 75 . 19 1 1 A 9 9 LYS HA H 9 4.610 4.427 0.183 1
1 84 . 19 1 1 A 9 9 LYS C C 9 175.500 175.167 0.333 1
1 85 . 19 1 1 A 9 9 LYS CA C 9 56.800 56.552 0.248 1
1 86 . 19 1 1 A 9 9 LYS CB C 9 31.700 32.788 -1.088 1
1 90 . 19 1 1 A 9 9 LYS N N 9 125.800 129.027 -3.227 1
1 91 . 19 1 1 A 10 10 VAL H H 10 8.740 8.755 -0.015 1
1 92 . 19 1 1 A 10 10 VAL HA H 10 4.040 4.704 -0.664 1
1 100 . 19 1 1 A 10 10 VAL C C 10 173.600 174.227 -0.627 1
1 101 . 19 1 1 A 10 10 VAL CA C 10 58.600 59.512 -0.912 1
1 102 . 19 1 1 A 10 10 VAL CB C 10 35.200 34.853 0.347 1
1 105 . 19 1 1 A 10 10 VAL N N 10 120.700 126.273 -5.573 1
1 106 . 19 1 1 A 11 11 LYS H H 11 7.320 8.131 -0.811 1
1 107 . 19 1 1 A 11 11 LYS HA H 11 5.000 4.483 0.517 1
1 116 . 19 1 1 A 11 11 LYS C C 11 176.600 177.074 -0.474 1
1 117 . 19 1 1 A 11 11 LYS CA C 11 54.800 55.994 -1.194 1
1 118 . 19 1 1 A 11 11 LYS CB C 11 33.700 32.989 0.711 1
1 122 . 19 1 1 A 11 11 LYS N N 11 120.600 126.081 -5.481 1
1 123 . 19 1 1 A 12 12 THR H H 12 8.950 9.110 -0.160 1
1 124 . 19 1 1 A 12 12 THR HA H 12 3.700 4.490 -0.790 1
1 129 . 19 1 1 A 12 12 THR C C 12 175.100 174.924 0.176 1
1 130 . 19 1 1 A 12 12 THR CA C 12 59.700 60.062 -0.362 1
1 131 . 19 1 1 A 12 12 THR CB C 12 67.700 68.634 -0.934 1
1 133 . 19 1 1 A 12 12 THR N N 12 115.400 117.975 -2.575 1
1 134 . 19 1 1 A 13 13 PRO HA H 13 4.180 4.309 -0.129 1
1 141 . 19 1 1 A 13 13 PRO C C 13 177.000 177.762 -0.762 1
1 142 . 19 1 1 A 13 13 PRO CA C 13 65.000 64.017 0.983 1
1 143 . 19 1 1 A 13 13 PRO CB C 13 31.400 31.513 -0.113 1
1 146 . 19 1 1 A 14 14 ALA H H 14 7.240 7.553 -0.313 1
1 147 . 19 1 1 A 14 14 ALA HA H 14 4.310 4.146 0.164 1
1 151 . 19 1 1 A 14 14 ALA C C 14 177.900 177.293 0.607 1
1 152 . 19 1 1 A 14 14 ALA CA C 14 52.200 53.788 -1.588 1
1 153 . 19 1 1 A 14 14 ALA CB C 14 19.000 19.369 -0.369 1
1 154 . 19 1 1 A 14 14 ALA N N 14 116.100 118.838 -2.738 1
1 155 . 19 1 1 A 15 15 GLY H H 15 8.310 7.612 0.698 1
1 156 . 19 1 1 A 15 15 GLY HA2 H 15 3.520 3.968 -0.448 1
1 157 . 19 1 1 A 15 15 GLY HA3 H 15 4.220 3.981 0.239 1
1 158 . 19 1 1 A 15 15 GLY C C 15 174.000 174.535 -0.535 1
1 159 . 19 1 1 A 15 15 GLY CA C 15 45.300 45.263 0.037 1
1 160 . 19 1 1 A 15 15 GLY N N 15 107.000 106.011 0.989 1
1 161 . 19 1 1 A 16 16 LYS H H 16 6.960 7.379 -0.419 1
1 162 . 19 1 1 A 16 16 LYS HA H 16 4.490 4.498 -0.008 1
1 171 . 19 1 1 A 16 16 LYS C C 16 175.400 175.348 0.052 1
1 172 . 19 1 1 A 16 16 LYS CA C 16 54.800 55.662 -0.862 1
1 173 . 19 1 1 A 16 16 LYS CB C 16 33.900 33.800 0.100 1
1 177 . 19 1 1 A 16 16 LYS N N 16 119.200 118.607 0.593 1
1 178 . 19 1 1 A 17 17 GLU H H 17 8.520 8.429 0.091 1
1 179 . 19 1 1 A 17 17 GLU HA H 17 4.990 5.194 -0.204 1
1 184 . 19 1 1 A 17 17 GLU C C 17 175.800 175.719 0.081 1
1 185 . 19 1 1 A 17 17 GLU CA C 17 55.900 55.061 0.839 1
1 186 . 19 1 1 A 17 17 GLU CB C 17 30.900 31.842 -0.942 1
1 188 . 19 1 1 A 17 17 GLU N N 17 122.200 120.073 2.127 1
1 189 . 19 1 1 A 18 18 ALA H H 18 8.870 8.639 0.231 1
1 190 . 19 1 1 A 18 18 ALA HA H 18 4.620 5.153 -0.533 1
1 194 . 19 1 1 A 18 18 ALA C C 18 174.600 175.893 -1.293 1
1 195 . 19 1 1 A 18 18 ALA CA C 18 51.000 50.384 0.616 1
1 196 . 19 1 1 A 18 18 ALA CB C 18 22.300 23.508 -1.208 1
1 197 . 19 1 1 A 18 18 ALA N N 18 127.200 125.290 1.910 1
1 198 . 19 1 1 A 19 19 GLU H H 19 8.450 8.574 -0.124 1
1 199 . 19 1 1 A 19 19 GLU HA H 19 4.830 4.901 -0.071 1
1 204 . 19 1 1 A 19 19 GLU C C 19 175.200 175.240 -0.040 1
1 205 . 19 1 1 A 19 19 GLU CA C 19 55.400 56.068 -0.668 1
1 206 . 19 1 1 A 19 19 GLU CB C 19 30.100 30.319 -0.219 1
1 208 . 19 1 1 A 19 19 GLU N N 19 121.700 120.484 1.216 1
1 209 . 19 1 1 A 20 20 LEU H H 20 8.470 9.148 -0.678 1
1 210 . 19 1 1 A 20 20 LEU HA H 20 5.030 5.136 -0.106 1
1 220 . 19 1 1 A 20 20 LEU C C 20 175.600 175.366 0.234 1
1 221 . 19 1 1 A 20 20 LEU CA C 20 53.000 53.413 -0.413 1
1 222 . 19 1 1 A 20 20 LEU CB C 20 47.600 44.874 2.726 1
1 226 . 19 1 1 A 20 20 LEU N N 20 124.600 126.199 -1.599 1
1 227 . 19 1 1 A 21 21 VAL H H 21 8.880 8.873 0.007 1
1 228 . 19 1 1 A 21 21 VAL HA H 21 4.540 4.570 -0.030 1
1 236 . 19 1 1 A 21 21 VAL C C 21 175.000 174.157 0.843 1
1 237 . 19 1 1 A 21 21 VAL CA C 21 59.400 60.037 -0.637 1
1 238 . 19 1 1 A 21 21 VAL CB C 21 33.300 33.402 -0.102 1
1 241 . 19 1 1 A 21 21 VAL N N 21 123.200 125.189 -1.989 1
1 242 . 19 1 1 A 22 22 PRO HA H 22 3.520 4.110 -0.590 1
1 249 . 19 1 1 A 22 22 PRO C C 22 176.300 177.736 -1.436 1
1 250 . 19 1 1 A 22 22 PRO CA C 22 62.600 62.552 0.048 1
1 251 . 19 1 1 A 22 22 PRO CB C 22 30.800 31.313 -0.513 1
1 254 . 19 1 1 A 23 23 GLU H H 23 8.830 9.189 -0.359 1
1 255 . 19 1 1 A 23 23 GLU HA H 23 4.070 4.108 -0.038 1
1 260 . 19 1 1 A 23 23 GLU C C 23 176.700 176.239 0.461 1
1 261 . 19 1 1 A 23 23 GLU CA C 23 57.700 58.332 -0.632 1
1 262 . 19 1 1 A 23 23 GLU CB C 23 30.900 30.558 0.342 1
1 264 . 19 1 1 A 23 23 GLU N N 23 121.200 120.661 0.539 1
1 265 . 19 1 1 A 24 24 LYS H H 24 7.120 7.555 -0.435 1
1 266 . 19 1 1 A 24 24 LYS HA H 24 4.480 4.958 -0.478 1
1 275 . 19 1 1 A 24 24 LYS C C 24 173.900 174.708 -0.808 1
1 276 . 19 1 1 A 24 24 LYS CA C 24 55.000 55.855 -0.855 1
1 277 . 19 1 1 A 24 24 LYS CB C 24 36.800 35.995 0.805 1
1 281 . 19 1 1 A 24 24 LYS N N 24 114.600 119.680 -5.080 1
1 282 . 19 1 1 A 25 25 VAL H H 25 8.240 8.806 -0.566 1
1 283 . 19 1 1 A 25 25 VAL HA H 25 5.030 5.055 -0.025 1
1 291 . 19 1 1 A 25 25 VAL C C 25 174.500 174.913 -0.413 1
1 292 . 19 1 1 A 25 25 VAL CA C 25 60.200 60.111 0.089 1
1 293 . 19 1 1 A 25 25 VAL CB C 25 35.400 34.856 0.544 1
1 296 . 19 1 1 A 25 25 VAL N N 25 117.400 119.825 -2.425 1
1 297 . 19 1 1 A 26 26 TRP H H 26 9.130 8.785 0.345 1
1 298 . 19 1 1 A 26 26 TRP HA H 26 4.880 5.401 -0.521 1
1 307 . 19 1 1 A 26 26 TRP C C 26 172.600 173.197 -0.597 1
1 308 . 19 1 1 A 26 26 TRP CA C 26 57.800 55.584 2.216 1
1 309 . 19 1 1 A 26 26 TRP CB C 26 31.500 32.322 -0.822 1
1 315 . 19 1 1 A 26 26 TRP N N 26 122.500 121.368 1.132 1
1 317 . 19 1 1 A 27 27 ALA H H 27 8.640 9.062 -0.422 1
1 318 . 19 1 1 A 27 27 ALA HA H 27 5.170 5.420 -0.250 1
1 322 . 19 1 1 A 27 27 ALA C C 27 177.000 175.892 1.108 1
1 323 . 19 1 1 A 27 27 ALA CA C 27 50.500 50.065 0.435 1
1 324 . 19 1 1 A 27 27 ALA CB C 27 21.000 22.277 -1.277 1
1 325 . 19 1 1 A 27 27 ALA N N 27 122.200 123.049 -0.849 1
1 326 . 19 1 1 A 28 28 LEU H H 28 8.860 9.697 -0.837 1
1 327 . 19 1 1 A 28 28 LEU HA H 28 4.590 5.000 -0.410 1
1 337 . 19 1 1 A 28 28 LEU C C 28 176.100 175.020 1.080 1
1 338 . 19 1 1 A 28 28 LEU CA C 28 54.500 53.611 0.889 1
1 339 . 19 1 1 A 28 28 LEU CB C 28 43.100 42.877 0.223 1
1 343 . 19 1 1 A 28 28 LEU N N 28 123.300 122.162 1.138 1
1 344 . 19 1 1 A 29 29 ALA H H 29 8.540 8.874 -0.334 1
1 345 . 19 1 1 A 29 29 ALA HA H 29 4.820 4.787 0.033 1
1 349 . 19 1 1 A 29 29 ALA C C 29 174.300 176.316 -2.016 1
1 350 . 19 1 1 A 29 29 ALA CA C 29 50.000 48.836 1.164 1
1 351 . 19 1 1 A 29 29 ALA CB C 29 19.000 19.988 -0.988 1
1 352 . 19 1 1 A 29 29 ALA N N 29 125.900 128.643 -2.743 1
1 353 . 19 1 1 A 30 30 PRO HA H 30 4.440 4.684 -0.244 1
1 360 . 19 1 1 A 30 30 PRO C C 30 176.800 177.419 -0.619 1
1 361 . 19 1 1 A 30 30 PRO CA C 30 62.600 62.454 0.146 1
1 362 . 19 1 1 A 30 30 PRO CB C 30 31.900 32.645 -0.745 1
1 365 . 19 1 1 A 31 31 LYS H H 31 8.370 8.613 -0.243 1
1 366 . 19 1 1 A 31 31 LYS HA H 31 4.170 3.983 0.187 1
1 375 . 19 1 1 A 31 31 LYS C C 31 177.700 177.877 -0.177 1
1 376 . 19 1 1 A 31 31 LYS CA C 31 57.300 59.376 -2.076 1
1 377 . 19 1 1 A 31 31 LYS CB C 31 32.000 32.371 -0.371 1
1 381 . 19 1 1 A 31 31 LYS N N 31 121.500 122.196 -0.696 1
1 382 . 19 1 1 A 32 32 GLY H H 32 8.720 8.024 0.696 1
1 383 . 19 1 1 A 32 32 GLY HA2 H 32 3.780 3.972 -0.192 1
1 384 . 19 1 1 A 32 32 GLY HA3 H 32 4.120 3.972 0.148 1
1 385 . 19 1 1 A 32 32 GLY C C 32 173.900 173.184 0.716 1
1 386 . 19 1 1 A 32 32 GLY CA C 32 45.700 45.354 0.346 1
1 387 . 19 1 1 A 32 32 GLY N N 32 112.200 107.574 4.626 1
1 388 . 19 1 1 A 33 33 ARG H H 33 7.790 7.158 0.632 1
1 389 . 19 1 1 A 33 33 ARG HA H 33 4.590 4.818 -0.228 1
1 396 . 19 1 1 A 33 33 ARG C C 33 175.200 176.210 -1.010 1
1 397 . 19 1 1 A 33 33 ARG CA C 33 54.700 53.794 0.906 1
1 398 . 19 1 1 A 33 33 ARG CB C 33 32.300 33.614 -1.314 1
1 401 . 19 1 1 A 33 33 ARG N N 33 118.800 118.524 0.276 1
1 402 . 19 1 1 A 34 34 LYS H H 34 8.190 8.852 -0.662 1
1 403 . 19 1 1 A 34 34 LYS HA H 34 4.280 4.241 0.039 1
1 412 . 19 1 1 A 34 34 LYS C C 34 176.700 176.709 -0.009 1
1 413 . 19 1 1 A 34 34 LYS CA C 34 56.800 57.564 -0.764 1
1 414 . 19 1 1 A 34 34 LYS CB C 34 32.900 33.059 -0.159 1
1 418 . 19 1 1 A 34 34 LYS N N 34 120.600 119.947 0.653 1
1 419 . 19 1 1 A 35 35 GLY H H 35 8.490 7.389 1.101 1
1 420 . 19 1 1 A 35 35 GLY HA2 H 35 3.900 4.034 -0.134 1
1 421 . 19 1 1 A 35 35 GLY HA3 H 35 4.260 4.034 0.226 1
1 422 . 19 1 1 A 35 35 GLY C C 35 173.200 172.031 1.169 1
1 423 . 19 1 1 A 35 35 GLY CA C 35 45.500 45.615 -0.115 1
1 424 . 19 1 1 A 35 35 GLY N N 35 110.400 103.999 6.401 1
1 425 . 19 1 1 A 36 36 VAL H H 36 8.130 9.299 -1.169 1
1 426 . 19 1 1 A 36 36 VAL HA H 36 4.380 5.384 -1.004 1
1 434 . 19 1 1 A 36 36 VAL C C 36 174.100 174.640 -0.540 1
1 435 . 19 1 1 A 36 36 VAL CA C 36 61.500 60.126 1.374 1
1 436 . 19 1 1 A 36 36 VAL CB C 36 34.700 34.330 0.370 1
1 438 . 19 1 1 A 36 36 VAL N N 36 119.000 120.073 -1.073 1
1 439 . 19 1 1 A 37 37 LYS H H 37 9.020 9.184 -0.164 1
1 440 . 19 1 1 A 37 37 LYS HA H 37 5.070 4.730 0.340 1
1 449 . 19 1 1 A 37 37 LYS C C 37 174.700 175.462 -0.762 1
1 450 . 19 1 1 A 37 37 LYS CA C 37 55.400 55.449 -0.049 1
1 451 . 19 1 1 A 37 37 LYS CB C 37 35.700 34.065 1.635 1
1 455 . 19 1 1 A 37 37 LYS N N 37 125.600 125.261 0.339 1
1 456 . 19 1 1 A 38 38 ILE H H 38 8.860 8.855 0.005 1
1 457 . 19 1 1 A 38 38 ILE HA H 38 4.390 4.682 -0.292 1
1 467 . 19 1 1 A 38 38 ILE C C 38 173.100 174.265 -1.165 1
1 468 . 19 1 1 A 38 38 ILE CA C 38 59.000 59.251 -0.251 1
1 469 . 19 1 1 A 38 38 ILE CB C 38 40.900 40.534 0.366 1
1 473 . 19 1 1 A 38 38 ILE N N 38 123.300 124.183 -0.883 1
1 474 . 19 1 1 A 39 39 GLY H H 39 8.600 8.668 -0.068 1
1 475 . 19 1 1 A 39 39 GLY HA2 H 39 2.920 3.792 -0.872 1
1 476 . 19 1 1 A 39 39 GLY HA3 H 39 5.060 3.817 1.243 1
1 477 . 19 1 1 A 39 39 GLY C C 39 170.400 171.333 -0.933 1
1 478 . 19 1 1 A 39 39 GLY CA C 39 43.800 43.462 0.338 1
1 479 . 19 1 1 A 39 39 GLY N N 39 109.500 113.740 -4.240 1
1 480 . 19 1 1 A 40 40 LEU H H 40 8.090 8.749 -0.659 1
1 481 . 19 1 1 A 40 40 LEU HA H 40 4.870 4.872 -0.002 1
1 491 . 19 1 1 A 40 40 LEU C C 40 174.100 174.551 -0.451 1
1 492 . 19 1 1 A 40 40 LEU CA C 40 53.400 53.589 -0.189 1
1 493 . 19 1 1 A 40 40 LEU CB C 40 45.500 44.232 1.268 1
1 497 . 19 1 1 A 40 40 LEU N N 40 122.200 124.332 -2.132 1
1 498 . 19 1 1 A 41 41 PHE H H 41 9.180 9.582 -0.402 1
1 499 . 19 1 1 A 41 41 PHE HA H 41 4.620 5.030 -0.410 1
1 507 . 19 1 1 A 41 41 PHE C C 41 173.000 173.823 -0.823 1
1 508 . 19 1 1 A 41 41 PHE CA C 41 56.000 55.969 0.031 1
1 509 . 19 1 1 A 41 41 PHE CB C 41 43.400 43.082 0.318 1
1 515 . 19 1 1 A 41 41 PHE N N 41 124.600 125.420 -0.820 1
1 516 . 19 1 1 A 42 42 LYS H H 42 8.460 8.765 -0.305 1
1 517 . 19 1 1 A 42 42 LYS HA H 42 4.320 4.823 -0.503 1
1 526 . 19 1 1 A 42 42 LYS C C 42 175.800 175.304 0.496 1
1 527 . 19 1 1 A 42 42 LYS CA C 42 54.700 54.177 0.523 1
1 528 . 19 1 1 A 42 42 LYS CB C 42 34.500 35.017 -0.517 1
1 532 . 19 1 1 A 42 42 LYS N N 42 120.800 120.762 0.038 1
1 533 . 19 1 1 A 43 43 ASP H H 43 8.970 9.272 -0.302 1
1 534 . 19 1 1 A 43 43 ASP HA H 43 4.720 4.898 -0.178 1
1 537 . 19 1 1 A 43 43 ASP C C 43 175.800 176.176 -0.376 1
1 538 . 19 1 1 A 43 43 ASP CA C 43 52.100 52.125 -0.025 1
1 539 . 19 1 1 A 43 43 ASP CB C 43 42.700 42.222 0.478 1
1 540 . 19 1 1 A 43 43 ASP N N 43 127.600 126.914 0.686 1
1 541 . 19 1 1 A 44 44 PRO HA H 44 4.320 4.478 -0.158 1
1 548 . 19 1 1 A 44 44 PRO C C 44 177.900 177.454 0.446 1
1 549 . 19 1 1 A 44 44 PRO CA C 44 64.300 64.083 0.217 1
1 550 . 19 1 1 A 44 44 PRO CB C 44 32.300 32.276 0.024 1
1 553 . 19 1 1 A 45 45 GLU H H 45 8.320 8.239 0.081 1
1 554 . 19 1 1 A 45 45 GLU HA H 45 4.230 4.223 0.007 1
1 559 . 19 1 1 A 45 45 GLU C C 45 177.800 178.030 -0.230 1
1 560 . 19 1 1 A 45 45 GLU CA C 45 58.600 59.224 -0.624 1
1 561 . 19 1 1 A 45 45 GLU CB C 45 30.700 30.398 0.302 1
1 563 . 19 1 1 A 45 45 GLU N N 45 116.000 118.898 -2.898 1
1 564 . 19 1 1 A 46 46 THR H H 46 7.320 8.752 -1.432 1
1 565 . 19 1 1 A 46 46 THR HA H 46 4.460 4.551 -0.091 1
1 570 . 19 1 1 A 46 46 THR C C 46 176.300 176.152 0.148 1
1 571 . 19 1 1 A 46 46 THR CA C 46 61.700 62.189 -0.489 1
1 572 . 19 1 1 A 46 46 THR CB C 46 71.500 71.497 0.003 1
1 574 . 19 1 1 A 46 46 THR N N 46 105.100 108.636 -3.536 1
1 575 . 19 1 1 A 47 47 GLY H H 47 8.550 8.303 0.247 1
1 576 . 19 1 1 A 47 47 GLY HA2 H 47 3.570 3.929 -0.359 1
1 577 . 19 1 1 A 47 47 GLY HA3 H 47 4.160 3.956 0.204 1
1 578 . 19 1 1 A 47 47 GLY C C 47 173.200 174.712 -1.512 1
1 579 . 19 1 1 A 47 47 GLY CA C 47 45.700 45.657 0.043 1
1 580 . 19 1 1 A 47 47 GLY N N 47 111.500 111.937 -0.437 1
1 581 . 19 1 1 A 48 48 LYS H H 48 7.700 7.367 0.333 1
1 582 . 19 1 1 A 48 48 LYS HA H 48 4.410 4.554 -0.144 1
1 591 . 19 1 1 A 48 48 LYS C C 48 176.600 175.575 1.025 1
1 592 . 19 1 1 A 48 48 LYS CA C 48 55.800 56.203 -0.403 1
1 593 . 19 1 1 A 48 48 LYS CB C 48 33.900 33.352 0.548 1
1 597 . 19 1 1 A 48 48 LYS N N 48 118.800 119.645 -0.845 1
1 598 . 19 1 1 A 49 49 TYR H H 49 8.740 9.207 -0.467 1
1 599 . 19 1 1 A 49 49 TYR HA H 49 5.670 5.433 0.237 1
1 606 . 19 1 1 A 49 49 TYR C C 49 177.400 175.642 1.758 1
1 607 . 19 1 1 A 49 49 TYR CA C 49 58.200 57.129 1.071 1
1 608 . 19 1 1 A 49 49 TYR CB C 49 40.300 40.788 -0.488 1
1 613 . 19 1 1 A 49 49 TYR N N 49 121.100 121.383 -0.283 1
1 614 . 19 1 1 A 50 50 PHE H H 50 9.630 9.278 0.352 1
1 615 . 19 1 1 A 50 50 PHE HA H 50 5.150 5.418 -0.268 1
1 623 . 19 1 1 A 50 50 PHE C C 50 172.500 173.299 -0.799 1
1 624 . 19 1 1 A 50 50 PHE CA C 50 56.200 55.801 0.399 1
1 625 . 19 1 1 A 50 50 PHE CB C 50 41.400 42.212 -0.812 1
1 631 . 19 1 1 A 50 50 PHE N N 50 118.400 118.493 -0.093 1
1 632 . 19 1 1 A 51 51 ARG H H 51 8.940 8.819 0.121 1
1 633 . 19 1 1 A 51 51 ARG HA H 51 5.740 5.256 0.484 1
1 640 . 19 1 1 A 51 51 ARG C C 51 176.600 175.258 1.342 1
1 641 . 19 1 1 A 51 51 ARG CA C 51 54.900 55.655 -0.755 1
1 642 . 19 1 1 A 51 51 ARG CB C 51 32.700 31.669 1.031 1
1 645 . 19 1 1 A 51 51 ARG N N 51 120.700 119.740 0.960 1
1 646 . 19 1 1 A 52 52 HIS H H 52 9.130 9.079 0.051 1
1 647 . 19 1 1 A 52 52 HIS HA H 52 4.730 5.258 -0.528 1
1 651 . 19 1 1 A 52 52 HIS C C 52 173.900 173.344 0.556 1
1 652 . 19 1 1 A 52 52 HIS CA C 52 56.600 55.656 0.944 1
1 653 . 19 1 1 A 52 52 HIS CB C 52 33.700 33.776 -0.076 1
1 655 . 19 1 1 A 52 52 HIS N N 52 120.400 121.927 -1.527 1
1 656 . 19 1 1 A 53 53 LYS H H 53 8.770 8.023 0.747 1
1 657 . 19 1 1 A 53 53 LYS HA H 53 4.590 4.235 0.355 1
1 666 . 19 1 1 A 53 53 LYS C C 53 176.700 176.301 0.399 1
1 667 . 19 1 1 A 53 53 LYS CA C 53 58.000 56.198 1.802 1
1 668 . 19 1 1 A 53 53 LYS CB C 53 33.300 32.653 0.647 1
1 672 . 19 1 1 A 53 53 LYS N N 53 127.500 120.299 7.201 1
1 673 . 19 1 1 A 54 54 LEU H H 54 8.690 9.048 -0.358 1
1 674 . 19 1 1 A 54 54 LEU HA H 54 4.830 4.617 0.213 1
1 684 . 19 1 1 A 54 54 LEU C C 54 173.900 174.739 -0.839 1
1 685 . 19 1 1 A 54 54 LEU CA C 54 51.700 52.929 -1.229 1
1 686 . 19 1 1 A 54 54 LEU CB C 54 41.400 41.771 -0.371 1
1 690 . 19 1 1 A 54 54 LEU N N 54 125.400 123.866 1.534 1
1 691 . 19 1 1 A 55 55 PRO HA H 55 4.420 4.717 -0.297 1
1 698 . 19 1 1 A 55 55 PRO C C 55 177.100 177.133 -0.033 1
1 699 . 19 1 1 A 55 55 PRO CA C 55 62.900 62.901 -0.001 1
1 700 . 19 1 1 A 55 55 PRO CB C 55 32.500 31.973 0.527 1
1 703 . 19 1 1 A 56 56 ASP H H 56 8.740 8.756 -0.016 1
1 704 . 19 1 1 A 56 56 ASP HA H 56 4.440 4.528 -0.088 1
1 707 . 19 1 1 A 56 56 ASP C C 56 177.200 176.804 0.396 1
1 708 . 19 1 1 A 56 56 ASP CA C 56 57.500 56.288 1.212 1
1 709 . 19 1 1 A 56 56 ASP CB C 56 40.500 40.347 0.153 1
1 710 . 19 1 1 A 56 56 ASP N N 56 120.700 122.329 -1.629 1
1 711 . 19 1 1 A 57 57 ASP H H 57 8.350 7.846 0.504 1
1 712 . 19 1 1 A 57 57 ASP HA H 57 4.620 4.662 -0.042 1
1 715 . 19 1 1 A 57 57 ASP C C 57 176.300 176.105 0.195 1
1 716 . 19 1 1 A 57 57 ASP CA C 57 52.600 55.476 -2.876 1
1 717 . 19 1 1 A 57 57 ASP CB C 57 39.500 41.291 -1.791 1
1 718 . 19 1 1 A 57 57 ASP N N 57 116.400 118.787 -2.387 1
1 719 . 19 1 1 A 58 58 TYR H H 58 7.890 7.791 0.099 1
1 720 . 19 1 1 A 58 58 TYR HA H 58 4.350 4.546 -0.196 1
1 727 . 19 1 1 A 58 58 TYR C C 58 174.400 174.479 -0.079 1
1 728 . 19 1 1 A 58 58 TYR CA C 58 58.400 57.279 1.121 1
1 729 . 19 1 1 A 58 58 TYR CB C 58 40.300 39.349 0.951 1
1 734 . 19 1 1 A 58 58 TYR N N 58 125.500 121.565 3.935 1
1 735 . 19 1 1 A 59 59 PRO HA H 59 4.360 4.767 -0.407 1
1 742 . 19 1 1 A 59 59 PRO C C 59 174.700 176.658 -1.958 1
1 743 . 19 1 1 A 59 59 PRO CA C 59 63.400 62.137 1.263 1
1 744 . 19 1 1 A 59 59 PRO CB C 59 31.100 31.809 -0.709 1
1 1 . 20 1 1 A 3 3 SER HA H 3 4.520 4.571 -0.051 1
1 4 . 20 1 1 A 3 3 SER C C 3 174.700 175.111 -0.411 1
1 5 . 20 1 1 A 3 3 SER CA C 3 58.400 58.940 -0.540 1
1 6 . 20 1 1 A 3 3 SER CB C 3 64.000 63.954 0.046 1
1 7 . 20 1 1 A 4 4 GLY H H 4 8.350 8.089 0.261 1
1 8 . 20 1 1 A 4 4 GLY HA2 H 4 3.910 3.920 -0.010 1
1 9 . 20 1 1 A 4 4 GLY HA3 H 4 4.050 3.923 0.127 1
1 10 . 20 1 1 A 4 4 GLY C C 4 173.800 173.681 0.119 1
1 11 . 20 1 1 A 4 4 GLY CA C 4 45.300 46.932 -1.632 1
1 12 . 20 1 1 A 4 4 GLY N N 4 110.300 109.023 1.277 1
1 13 . 20 1 1 A 5 5 LYS H H 5 8.110 7.974 0.136 1
1 14 . 20 1 1 A 5 5 LYS HA H 5 4.310 5.004 -0.694 1
1 23 . 20 1 1 A 5 5 LYS C C 5 175.700 174.960 0.740 1
1 24 . 20 1 1 A 5 5 LYS CA C 5 56.100 54.377 1.723 1
1 25 . 20 1 1 A 5 5 LYS CB C 5 33.200 36.947 -3.747 1
1 29 . 20 1 1 A 5 5 LYS N N 5 120.500 121.119 -0.619 1
1 30 . 20 1 1 A 6 6 LYS H H 6 7.980 8.679 -0.699 1
1 31 . 20 1 1 A 6 6 LYS HA H 6 4.730 5.059 -0.329 1
1 40 . 20 1 1 A 6 6 LYS C C 6 174.800 173.820 0.980 1
1 41 . 20 1 1 A 6 6 LYS CA C 6 54.000 54.110 -0.110 1
1 42 . 20 1 1 A 6 6 LYS CB C 6 33.300 36.128 -2.828 1
1 46 . 20 1 1 A 6 6 LYS N N 6 121.900 118.239 3.661 1
1 47 . 20 1 1 A 7 7 PRO HA H 7 4.610 5.015 -0.405 1
1 54 . 20 1 1 A 7 7 PRO C C 7 175.900 175.550 0.350 1
1 55 . 20 1 1 A 7 7 PRO CA C 7 62.500 62.841 -0.341 1
1 56 . 20 1 1 A 7 7 PRO CB C 7 32.600 32.523 0.077 1
1 59 . 20 1 1 A 8 8 VAL H H 8 9.040 8.804 0.236 1
1 60 . 20 1 1 A 8 8 VAL HA H 8 4.430 4.658 -0.228 1
1 68 . 20 1 1 A 8 8 VAL C C 8 173.900 174.928 -1.028 1
1 69 . 20 1 1 A 8 8 VAL CA C 8 60.200 59.752 0.448 1
1 70 . 20 1 1 A 8 8 VAL CB C 8 35.600 34.638 0.962 1
1 73 . 20 1 1 A 8 8 VAL N N 8 119.900 122.269 -2.369 1
1 74 . 20 1 1 A 9 9 LYS H H 9 8.390 8.337 0.053 1
1 75 . 20 1 1 A 9 9 LYS HA H 9 4.610 4.457 0.153 1
1 84 . 20 1 1 A 9 9 LYS C C 9 175.500 175.412 0.088 1
1 85 . 20 1 1 A 9 9 LYS CA C 9 56.800 56.249 0.551 1
1 86 . 20 1 1 A 9 9 LYS CB C 9 31.700 32.559 -0.859 1
1 90 . 20 1 1 A 9 9 LYS N N 9 125.800 126.280 -0.480 1
1 91 . 20 1 1 A 10 10 VAL H H 10 8.740 8.878 -0.138 1
1 92 . 20 1 1 A 10 10 VAL HA H 10 4.040 4.696 -0.656 1
1 100 . 20 1 1 A 10 10 VAL C C 10 173.600 174.005 -0.405 1
1 101 . 20 1 1 A 10 10 VAL CA C 10 58.600 59.402 -0.802 1
1 102 . 20 1 1 A 10 10 VAL CB C 10 35.200 34.276 0.924 1
1 105 . 20 1 1 A 10 10 VAL N N 10 120.700 123.773 -3.073 1
1 106 . 20 1 1 A 11 11 LYS H H 11 7.320 8.231 -0.911 1
1 107 . 20 1 1 A 11 11 LYS HA H 11 5.000 4.955 0.045 1
1 116 . 20 1 1 A 11 11 LYS C C 11 176.600 176.841 -0.241 1
1 117 . 20 1 1 A 11 11 LYS CA C 11 54.800 55.803 -1.003 1
1 118 . 20 1 1 A 11 11 LYS CB C 11 33.700 32.961 0.739 1
1 122 . 20 1 1 A 11 11 LYS N N 11 120.600 126.579 -5.979 1
1 123 . 20 1 1 A 12 12 THR H H 12 8.950 9.045 -0.095 1
1 124 . 20 1 1 A 12 12 THR HA H 12 3.700 4.373 -0.673 1
1 129 . 20 1 1 A 12 12 THR C C 12 175.100 174.677 0.423 1
1 130 . 20 1 1 A 12 12 THR CA C 12 59.700 59.753 -0.053 1
1 131 . 20 1 1 A 12 12 THR CB C 12 67.700 68.695 -0.995 1
1 133 . 20 1 1 A 12 12 THR N N 12 115.400 117.571 -2.171 1
1 134 . 20 1 1 A 13 13 PRO HA H 13 4.180 4.206 -0.026 1
1 141 . 20 1 1 A 13 13 PRO C C 13 177.000 177.254 -0.254 1
1 142 . 20 1 1 A 13 13 PRO CA C 13 65.000 64.564 0.436 1
1 143 . 20 1 1 A 13 13 PRO CB C 13 31.400 31.482 -0.082 1
1 146 . 20 1 1 A 14 14 ALA H H 14 7.240 7.474 -0.234 1
1 147 . 20 1 1 A 14 14 ALA HA H 14 4.310 4.184 0.126 1
1 151 . 20 1 1 A 14 14 ALA C C 14 177.900 177.767 0.133 1
1 152 . 20 1 1 A 14 14 ALA CA C 14 52.200 52.190 0.010 1
1 153 . 20 1 1 A 14 14 ALA CB C 14 19.000 19.175 -0.175 1
1 154 . 20 1 1 A 14 14 ALA N N 14 116.100 117.376 -1.276 1
1 155 . 20 1 1 A 15 15 GLY H H 15 8.310 8.757 -0.447 1
1 156 . 20 1 1 A 15 15 GLY HA2 H 15 3.520 3.881 -0.361 1
1 157 . 20 1 1 A 15 15 GLY HA3 H 15 4.220 3.896 0.324 1
1 158 . 20 1 1 A 15 15 GLY C C 15 174.000 173.579 0.421 1
1 159 . 20 1 1 A 15 15 GLY CA C 15 45.300 46.386 -1.086 1
1 160 . 20 1 1 A 15 15 GLY N N 15 107.000 107.614 -0.614 1
1 161 . 20 1 1 A 16 16 LYS H H 16 6.960 7.459 -0.499 1
1 162 . 20 1 1 A 16 16 LYS HA H 16 4.490 4.875 -0.385 1
1 171 . 20 1 1 A 16 16 LYS C C 16 175.400 174.565 0.835 1
1 172 . 20 1 1 A 16 16 LYS CA C 16 54.800 54.318 0.482 1
1 173 . 20 1 1 A 16 16 LYS CB C 16 33.900 35.705 -1.805 1
1 177 . 20 1 1 A 16 16 LYS N N 16 119.200 114.740 4.460 1
1 178 . 20 1 1 A 17 17 GLU H H 17 8.520 8.462 0.058 1
1 179 . 20 1 1 A 17 17 GLU HA H 17 4.990 5.166 -0.176 1
1 184 . 20 1 1 A 17 17 GLU C C 17 175.800 175.715 0.085 1
1 185 . 20 1 1 A 17 17 GLU CA C 17 55.900 55.037 0.863 1
1 186 . 20 1 1 A 17 17 GLU CB C 17 30.900 31.002 -0.102 1
1 188 . 20 1 1 A 17 17 GLU N N 17 122.200 119.249 2.951 1
1 189 . 20 1 1 A 18 18 ALA H H 18 8.870 9.038 -0.168 1
1 190 . 20 1 1 A 18 18 ALA HA H 18 4.620 5.180 -0.560 1
1 194 . 20 1 1 A 18 18 ALA C C 18 174.600 175.829 -1.229 1
1 195 . 20 1 1 A 18 18 ALA CA C 18 51.000 50.151 0.849 1
1 196 . 20 1 1 A 18 18 ALA CB C 18 22.300 23.451 -1.151 1
1 197 . 20 1 1 A 18 18 ALA N N 18 127.200 127.576 -0.376 1
1 198 . 20 1 1 A 19 19 GLU H H 19 8.450 8.541 -0.091 1
1 199 . 20 1 1 A 19 19 GLU HA H 19 4.830 5.126 -0.296 1
1 204 . 20 1 1 A 19 19 GLU C C 19 175.200 175.258 -0.058 1
1 205 . 20 1 1 A 19 19 GLU CA C 19 55.400 55.962 -0.562 1
1 206 . 20 1 1 A 19 19 GLU CB C 19 30.100 30.372 -0.272 1
1 208 . 20 1 1 A 19 19 GLU N N 19 121.700 121.396 0.304 1
1 209 . 20 1 1 A 20 20 LEU H H 20 8.470 8.871 -0.401 1
1 210 . 20 1 1 A 20 20 LEU HA H 20 5.030 5.115 -0.085 1
1 220 . 20 1 1 A 20 20 LEU C C 20 175.600 175.333 0.267 1
1 221 . 20 1 1 A 20 20 LEU CA C 20 53.000 53.441 -0.441 1
1 222 . 20 1 1 A 20 20 LEU CB C 20 47.600 44.945 2.655 1
1 226 . 20 1 1 A 20 20 LEU N N 20 124.600 126.144 -1.544 1
1 227 . 20 1 1 A 21 21 VAL H H 21 8.880 9.132 -0.252 1
1 228 . 20 1 1 A 21 21 VAL HA H 21 4.540 4.904 -0.364 1
1 236 . 20 1 1 A 21 21 VAL C C 21 175.000 174.081 0.919 1
1 237 . 20 1 1 A 21 21 VAL CA C 21 59.400 59.190 0.210 1
1 238 . 20 1 1 A 21 21 VAL CB C 21 33.300 33.874 -0.574 1
1 241 . 20 1 1 A 21 21 VAL N N 21 123.200 124.251 -1.051 1
1 242 . 20 1 1 A 22 22 PRO HA H 22 3.520 4.471 -0.951 1
1 249 . 20 1 1 A 22 22 PRO C C 22 176.300 177.620 -1.320 1
1 250 . 20 1 1 A 22 22 PRO CA C 22 62.600 62.447 0.153 1
1 251 . 20 1 1 A 22 22 PRO CB C 22 30.800 31.373 -0.573 1
1 254 . 20 1 1 A 23 23 GLU H H 23 8.830 9.317 -0.487 1
1 255 . 20 1 1 A 23 23 GLU HA H 23 4.070 4.192 -0.122 1
1 260 . 20 1 1 A 23 23 GLU C C 23 176.700 176.622 0.078 1
1 261 . 20 1 1 A 23 23 GLU CA C 23 57.700 59.608 -1.908 1
1 262 . 20 1 1 A 23 23 GLU CB C 23 30.900 30.983 -0.083 1
1 264 . 20 1 1 A 23 23 GLU N N 23 121.200 120.870 0.330 1
1 265 . 20 1 1 A 24 24 LYS H H 24 7.120 7.750 -0.630 1
1 266 . 20 1 1 A 24 24 LYS HA H 24 4.480 5.136 -0.656 1
1 275 . 20 1 1 A 24 24 LYS C C 24 173.900 174.993 -1.093 1
1 276 . 20 1 1 A 24 24 LYS CA C 24 55.000 54.931 0.069 1
1 277 . 20 1 1 A 24 24 LYS CB C 24 36.800 35.975 0.825 1
1 281 . 20 1 1 A 24 24 LYS N N 24 114.600 114.924 -0.324 1
1 282 . 20 1 1 A 25 25 VAL H H 25 8.240 8.856 -0.616 1
1 283 . 20 1 1 A 25 25 VAL HA H 25 5.030 5.095 -0.065 1
1 291 . 20 1 1 A 25 25 VAL C C 25 174.500 174.711 -0.211 1
1 292 . 20 1 1 A 25 25 VAL CA C 25 60.200 59.938 0.262 1
1 293 . 20 1 1 A 25 25 VAL CB C 25 35.400 35.785 -0.385 1
1 296 . 20 1 1 A 25 25 VAL N N 25 117.400 115.879 1.521 1
1 297 . 20 1 1 A 26 26 TRP H H 26 9.130 8.899 0.231 1
1 298 . 20 1 1 A 26 26 TRP HA H 26 4.880 5.457 -0.577 1
1 307 . 20 1 1 A 26 26 TRP C C 26 172.600 173.599 -0.999 1
1 308 . 20 1 1 A 26 26 TRP CA C 26 57.800 55.596 2.204 1
1 309 . 20 1 1 A 26 26 TRP CB C 26 31.500 31.663 -0.163 1
1 315 . 20 1 1 A 26 26 TRP N N 26 122.500 120.602 1.898 1
1 317 . 20 1 1 A 27 27 ALA H H 27 8.640 8.887 -0.247 1
1 318 . 20 1 1 A 27 27 ALA HA H 27 5.170 5.419 -0.249 1
1 322 . 20 1 1 A 27 27 ALA C C 27 177.000 176.037 0.963 1
1 323 . 20 1 1 A 27 27 ALA CA C 27 50.500 50.617 -0.117 1
1 324 . 20 1 1 A 27 27 ALA CB C 27 21.000 22.541 -1.541 1
1 325 . 20 1 1 A 27 27 ALA N N 27 122.200 122.271 -0.071 1
1 326 . 20 1 1 A 28 28 LEU H H 28 8.860 9.626 -0.766 1
1 327 . 20 1 1 A 28 28 LEU HA H 28 4.590 4.844 -0.254 1
1 337 . 20 1 1 A 28 28 LEU C C 28 176.100 175.297 0.803 1
1 338 . 20 1 1 A 28 28 LEU CA C 28 54.500 54.258 0.242 1
1 339 . 20 1 1 A 28 28 LEU CB C 28 43.100 41.113 1.987 1
1 343 . 20 1 1 A 28 28 LEU N N 28 123.300 123.464 -0.164 1
1 344 . 20 1 1 A 29 29 ALA H H 29 8.540 8.237 0.303 1
1 345 . 20 1 1 A 29 29 ALA HA H 29 4.820 4.910 -0.090 1
1 349 . 20 1 1 A 29 29 ALA C C 29 174.300 176.383 -2.083 1
1 350 . 20 1 1 A 29 29 ALA CA C 29 50.000 49.008 0.992 1
1 351 . 20 1 1 A 29 29 ALA CB C 29 19.000 20.224 -1.224 1
1 352 . 20 1 1 A 29 29 ALA N N 29 125.900 128.719 -2.819 1
1 353 . 20 1 1 A 30 30 PRO HA H 30 4.440 4.442 -0.002 1
1 360 . 20 1 1 A 30 30 PRO C C 30 176.800 177.522 -0.722 1
1 361 . 20 1 1 A 30 30 PRO CA C 30 62.600 65.773 -3.173 1
1 362 . 20 1 1 A 30 30 PRO CB C 30 31.900 31.637 0.263 1
1 365 . 20 1 1 A 31 31 LYS H H 31 8.370 7.597 0.773 1
1 366 . 20 1 1 A 31 31 LYS HA H 31 4.170 4.459 -0.289 1
1 375 . 20 1 1 A 31 31 LYS C C 31 177.700 177.020 0.680 1
1 376 . 20 1 1 A 31 31 LYS CA C 31 57.300 56.751 0.549 1
1 377 . 20 1 1 A 31 31 LYS CB C 31 32.000 34.186 -2.186 1
1 381 . 20 1 1 A 31 31 LYS N N 31 121.500 114.209 7.291 1
1 382 . 20 1 1 A 32 32 GLY H H 32 8.720 7.940 0.780 1
1 383 . 20 1 1 A 32 32 GLY HA2 H 32 3.780 4.103 -0.323 1
1 384 . 20 1 1 A 32 32 GLY HA3 H 32 4.120 4.104 0.016 1
1 385 . 20 1 1 A 32 32 GLY C C 32 173.900 174.458 -0.558 1
1 386 . 20 1 1 A 32 32 GLY CA C 32 45.700 45.661 0.039 1
1 387 . 20 1 1 A 32 32 GLY N N 32 112.200 106.736 5.464 1
1 388 . 20 1 1 A 33 33 ARG H H 33 7.790 7.863 -0.073 1
1 389 . 20 1 1 A 33 33 ARG HA H 33 4.590 4.576 0.014 1
1 396 . 20 1 1 A 33 33 ARG C C 33 175.200 176.134 -0.934 1
1 397 . 20 1 1 A 33 33 ARG CA C 33 54.700 54.686 0.014 1
1 398 . 20 1 1 A 33 33 ARG CB C 33 32.300 30.939 1.361 1
1 401 . 20 1 1 A 33 33 ARG N N 33 118.800 119.807 -1.007 1
1 402 . 20 1 1 A 34 34 LYS H H 34 8.190 8.283 -0.093 1
1 403 . 20 1 1 A 34 34 LYS HA H 34 4.280 4.199 0.081 1
1 412 . 20 1 1 A 34 34 LYS C C 34 176.700 175.807 0.893 1
1 413 . 20 1 1 A 34 34 LYS CA C 34 56.800 57.934 -1.134 1
1 414 . 20 1 1 A 34 34 LYS CB C 34 32.900 32.642 0.258 1
1 418 . 20 1 1 A 34 34 LYS N N 34 120.600 118.168 2.432 1
1 419 . 20 1 1 A 35 35 GLY H H 35 8.490 8.205 0.285 1
1 420 . 20 1 1 A 35 35 GLY HA2 H 35 3.900 4.091 -0.191 1
1 421 . 20 1 1 A 35 35 GLY HA3 H 35 4.260 4.092 0.168 1
1 422 . 20 1 1 A 35 35 GLY C C 35 173.200 172.655 0.545 1
1 423 . 20 1 1 A 35 35 GLY CA C 35 45.500 44.998 0.502 1
1 424 . 20 1 1 A 35 35 GLY N N 35 110.400 106.726 3.674 1
1 425 . 20 1 1 A 36 36 VAL H H 36 8.130 9.006 -0.876 1
1 426 . 20 1 1 A 36 36 VAL HA H 36 4.380 4.399 -0.019 1
1 434 . 20 1 1 A 36 36 VAL C C 36 174.100 175.064 -0.964 1
1 435 . 20 1 1 A 36 36 VAL CA C 36 61.500 62.066 -0.566 1
1 436 . 20 1 1 A 36 36 VAL CB C 36 34.700 32.667 2.033 1
1 438 . 20 1 1 A 36 36 VAL N N 36 119.000 125.304 -6.304 1
1 439 . 20 1 1 A 37 37 LYS H H 37 9.020 8.786 0.234 1
1 440 . 20 1 1 A 37 37 LYS HA H 37 5.070 4.669 0.401 1
1 449 . 20 1 1 A 37 37 LYS C C 37 174.700 175.536 -0.836 1
1 450 . 20 1 1 A 37 37 LYS CA C 37 55.400 55.919 -0.519 1
1 451 . 20 1 1 A 37 37 LYS CB C 37 35.700 33.534 2.166 1
1 455 . 20 1 1 A 37 37 LYS N N 37 125.600 127.037 -1.437 1
1 456 . 20 1 1 A 38 38 ILE H H 38 8.860 8.774 0.086 1
1 457 . 20 1 1 A 38 38 ILE HA H 38 4.390 4.656 -0.266 1
1 467 . 20 1 1 A 38 38 ILE C C 38 173.100 174.103 -1.003 1
1 468 . 20 1 1 A 38 38 ILE CA C 38 59.000 59.234 -0.234 1
1 469 . 20 1 1 A 38 38 ILE CB C 38 40.900 41.545 -0.645 1
1 473 . 20 1 1 A 38 38 ILE N N 38 123.300 123.853 -0.553 1
1 474 . 20 1 1 A 39 39 GLY H H 39 8.600 8.713 -0.113 1
1 475 . 20 1 1 A 39 39 GLY HA2 H 39 2.920 3.846 -0.926 1
1 476 . 20 1 1 A 39 39 GLY HA3 H 39 5.060 3.854 1.206 1
1 477 . 20 1 1 A 39 39 GLY C C 39 170.400 171.366 -0.966 1
1 478 . 20 1 1 A 39 39 GLY CA C 39 43.800 43.565 0.235 1
1 479 . 20 1 1 A 39 39 GLY N N 39 109.500 113.781 -4.281 1
1 480 . 20 1 1 A 40 40 LEU H H 40 8.090 8.593 -0.503 1
1 481 . 20 1 1 A 40 40 LEU HA H 40 4.870 4.859 0.011 1
1 491 . 20 1 1 A 40 40 LEU C C 40 174.100 174.581 -0.481 1
1 492 . 20 1 1 A 40 40 LEU CA C 40 53.400 53.567 -0.167 1
1 493 . 20 1 1 A 40 40 LEU CB C 40 45.500 43.940 1.560 1
1 497 . 20 1 1 A 40 40 LEU N N 40 122.200 124.370 -2.170 1
1 498 . 20 1 1 A 41 41 PHE H H 41 9.180 9.614 -0.434 1
1 499 . 20 1 1 A 41 41 PHE HA H 41 4.620 5.087 -0.467 1
1 507 . 20 1 1 A 41 41 PHE C C 41 173.000 173.829 -0.829 1
1 508 . 20 1 1 A 41 41 PHE CA C 41 56.000 56.148 -0.148 1
1 509 . 20 1 1 A 41 41 PHE CB C 41 43.400 42.974 0.426 1
1 515 . 20 1 1 A 41 41 PHE N N 41 124.600 125.725 -1.125 1
1 516 . 20 1 1 A 42 42 LYS H H 42 8.460 8.862 -0.402 1
1 517 . 20 1 1 A 42 42 LYS HA H 42 4.320 4.925 -0.605 1
1 526 . 20 1 1 A 42 42 LYS C C 42 175.800 175.189 0.611 1
1 527 . 20 1 1 A 42 42 LYS CA C 42 54.700 54.236 0.464 1
1 528 . 20 1 1 A 42 42 LYS CB C 42 34.500 35.235 -0.735 1
1 532 . 20 1 1 A 42 42 LYS N N 42 120.800 120.856 -0.056 1
1 533 . 20 1 1 A 43 43 ASP H H 43 8.970 9.299 -0.329 1
1 534 . 20 1 1 A 43 43 ASP HA H 43 4.720 4.897 -0.177 1
1 537 . 20 1 1 A 43 43 ASP C C 43 175.800 176.193 -0.393 1
1 538 . 20 1 1 A 43 43 ASP CA C 43 52.100 51.775 0.325 1
1 539 . 20 1 1 A 43 43 ASP CB C 43 42.700 41.914 0.786 1
1 540 . 20 1 1 A 43 43 ASP N N 43 127.600 126.869 0.731 1
1 541 . 20 1 1 A 44 44 PRO HA H 44 4.320 4.377 -0.057 1
1 548 . 20 1 1 A 44 44 PRO C C 44 177.900 177.407 0.493 1
1 549 . 20 1 1 A 44 44 PRO CA C 44 64.300 64.574 -0.274 1
1 550 . 20 1 1 A 44 44 PRO CB C 44 32.300 32.092 0.208 1
1 553 . 20 1 1 A 45 45 GLU H H 45 8.320 8.231 0.089 1
1 554 . 20 1 1 A 45 45 GLU HA H 45 4.230 4.297 -0.067 1
1 559 . 20 1 1 A 45 45 GLU C C 45 177.800 177.828 -0.028 1
1 560 . 20 1 1 A 45 45 GLU CA C 45 58.600 57.580 1.020 1
1 561 . 20 1 1 A 45 45 GLU CB C 45 30.700 30.200 0.500 1
1 563 . 20 1 1 A 45 45 GLU N N 45 116.000 116.521 -0.521 1
1 564 . 20 1 1 A 46 46 THR H H 46 7.320 8.187 -0.867 1
1 565 . 20 1 1 A 46 46 THR HA H 46 4.460 4.577 -0.117 1
1 570 . 20 1 1 A 46 46 THR C C 46 176.300 176.159 0.141 1
1 571 . 20 1 1 A 46 46 THR CA C 46 61.700 62.350 -0.650 1
1 572 . 20 1 1 A 46 46 THR CB C 46 71.500 71.646 -0.146 1
1 574 . 20 1 1 A 46 46 THR N N 46 105.100 108.909 -3.809 1
1 575 . 20 1 1 A 47 47 GLY H H 47 8.550 8.448 0.102 1
1 576 . 20 1 1 A 47 47 GLY HA2 H 47 3.570 3.887 -0.317 1
1 577 . 20 1 1 A 47 47 GLY HA3 H 47 4.160 3.920 0.240 1
1 578 . 20 1 1 A 47 47 GLY C C 47 173.200 174.270 -1.070 1
1 579 . 20 1 1 A 47 47 GLY CA C 47 45.700 45.572 0.128 1
1 580 . 20 1 1 A 47 47 GLY N N 47 111.500 112.349 -0.849 1
1 581 . 20 1 1 A 48 48 LYS H H 48 7.700 7.850 -0.150 1
1 582 . 20 1 1 A 48 48 LYS HA H 48 4.410 4.758 -0.348 1
1 591 . 20 1 1 A 48 48 LYS C C 48 176.600 175.526 1.074 1
1 592 . 20 1 1 A 48 48 LYS CA C 48 55.800 55.432 0.368 1
1 593 . 20 1 1 A 48 48 LYS CB C 48 33.900 33.825 0.075 1
1 597 . 20 1 1 A 48 48 LYS N N 48 118.800 117.173 1.627 1
1 598 . 20 1 1 A 49 49 TYR H H 49 8.740 9.178 -0.438 1
1 599 . 20 1 1 A 49 49 TYR HA H 49 5.670 5.661 0.009 1
1 606 . 20 1 1 A 49 49 TYR C C 49 177.400 175.636 1.764 1
1 607 . 20 1 1 A 49 49 TYR CA C 49 58.200 56.880 1.320 1
1 608 . 20 1 1 A 49 49 TYR CB C 49 40.300 41.150 -0.850 1
1 613 . 20 1 1 A 49 49 TYR N N 49 121.100 120.816 0.284 1
1 614 . 20 1 1 A 50 50 PHE H H 50 9.630 9.348 0.282 1
1 615 . 20 1 1 A 50 50 PHE HA H 50 5.150 5.488 -0.338 1
1 623 . 20 1 1 A 50 50 PHE C C 50 172.500 173.172 -0.672 1
1 624 . 20 1 1 A 50 50 PHE CA C 50 56.200 55.580 0.620 1
1 625 . 20 1 1 A 50 50 PHE CB C 50 41.400 42.281 -0.881 1
1 631 . 20 1 1 A 50 50 PHE N N 50 118.400 118.292 0.108 1
1 632 . 20 1 1 A 51 51 ARG H H 51 8.940 8.860 0.080 1
1 633 . 20 1 1 A 51 51 ARG HA H 51 5.740 5.228 0.512 1
1 640 . 20 1 1 A 51 51 ARG C C 51 176.600 175.111 1.489 1
1 641 . 20 1 1 A 51 51 ARG CA C 51 54.900 55.556 -0.656 1
1 642 . 20 1 1 A 51 51 ARG CB C 51 32.700 31.701 0.999 1
1 645 . 20 1 1 A 51 51 ARG N N 51 120.700 119.462 1.238 1
1 646 . 20 1 1 A 52 52 HIS H H 52 9.130 9.043 0.087 1
1 647 . 20 1 1 A 52 52 HIS HA H 52 4.730 5.348 -0.618 1
1 651 . 20 1 1 A 52 52 HIS C C 52 173.900 173.472 0.428 1
1 652 . 20 1 1 A 52 52 HIS CA C 52 56.600 55.717 0.883 1
1 653 . 20 1 1 A 52 52 HIS CB C 52 33.700 33.910 -0.210 1
1 655 . 20 1 1 A 52 52 HIS N N 52 120.400 122.072 -1.672 1
1 656 . 20 1 1 A 53 53 LYS H H 53 8.770 7.866 0.904 1
1 657 . 20 1 1 A 53 53 LYS HA H 53 4.590 4.271 0.319 1
1 666 . 20 1 1 A 53 53 LYS C C 53 176.700 176.011 0.689 1
1 667 . 20 1 1 A 53 53 LYS CA C 53 58.000 56.224 1.776 1
1 668 . 20 1 1 A 53 53 LYS CB C 53 33.300 32.723 0.577 1
1 672 . 20 1 1 A 53 53 LYS N N 53 127.500 119.632 7.868 1
1 673 . 20 1 1 A 54 54 LEU H H 54 8.690 8.974 -0.284 1
1 674 . 20 1 1 A 54 54 LEU HA H 54 4.830 4.728 0.102 1
1 684 . 20 1 1 A 54 54 LEU C C 54 173.900 174.399 -0.499 1
1 685 . 20 1 1 A 54 54 LEU CA C 54 51.700 52.284 -0.584 1
1 686 . 20 1 1 A 54 54 LEU CB C 54 41.400 42.069 -0.669 1
1 690 . 20 1 1 A 54 54 LEU N N 54 125.400 122.997 2.403 1
1 691 . 20 1 1 A 55 55 PRO HA H 55 4.420 4.582 -0.162 1
1 698 . 20 1 1 A 55 55 PRO C C 55 177.100 177.056 0.044 1
1 699 . 20 1 1 A 55 55 PRO CA C 55 62.900 62.820 0.080 1
1 700 . 20 1 1 A 55 55 PRO CB C 55 32.500 32.816 -0.316 1
1 703 . 20 1 1 A 56 56 ASP H H 56 8.740 8.892 -0.152 1
1 704 . 20 1 1 A 56 56 ASP HA H 56 4.440 4.400 0.040 1
1 707 . 20 1 1 A 56 56 ASP C C 56 177.200 176.524 0.676 1
1 708 . 20 1 1 A 56 56 ASP CA C 56 57.500 56.632 0.868 1
1 709 . 20 1 1 A 56 56 ASP CB C 56 40.500 40.526 -0.026 1
1 710 . 20 1 1 A 56 56 ASP N N 56 120.700 122.616 -1.916 1
1 711 . 20 1 1 A 57 57 ASP H H 57 8.350 8.334 0.016 1
1 712 . 20 1 1 A 57 57 ASP HA H 57 4.620 4.717 -0.097 1
1 715 . 20 1 1 A 57 57 ASP C C 57 176.300 175.921 0.379 1
1 716 . 20 1 1 A 57 57 ASP CA C 57 52.600 53.279 -0.679 1
1 717 . 20 1 1 A 57 57 ASP CB C 57 39.500 39.906 -0.406 1
1 718 . 20 1 1 A 57 57 ASP N N 57 116.400 114.879 1.521 1
1 719 . 20 1 1 A 58 58 TYR H H 58 7.890 7.662 0.228 1
1 720 . 20 1 1 A 58 58 TYR HA H 58 4.350 4.670 -0.320 1
1 727 . 20 1 1 A 58 58 TYR C C 58 174.400 174.590 -0.190 1
1 728 . 20 1 1 A 58 58 TYR CA C 58 58.400 57.055 1.345 1
1 729 . 20 1 1 A 58 58 TYR CB C 58 40.300 39.514 0.786 1
1 734 . 20 1 1 A 58 58 TYR N N 58 125.500 123.002 2.498 1
1 735 . 20 1 1 A 59 59 PRO HA H 59 4.360 4.684 -0.324 1
1 742 . 20 1 1 A 59 59 PRO C C 59 174.700 176.171 -1.471 1
1 743 . 20 1 1 A 59 59 PRO CA C 59 63.400 62.472 0.928 1
1 744 . 20 1 1 A 59 59 PRO CB C 59 31.100 31.206 -0.106 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 57 0.797 1
2 1 1 1 "RMS(OBS, PRED)" CA 57 0.938 1
3 1 1 1 "RMS(OBS, PRED)" CB 51 1.084 1
4 1 1 1 "RMS(OBS, PRED)" H 49 0.475 1
5 1 1 1 "RMS(OBS, PRED)" HA 63 0.398 1
6 1 1 1 "RMS(OBS, PRED)" N 49 2.580 1
7 1 2 1 "RMS(OBS, PRED)" C 57 0.880 1
8 1 2 1 "RMS(OBS, PRED)" CA 57 0.969 1
9 1 2 1 "RMS(OBS, PRED)" CB 51 1.139 1
10 1 2 1 "RMS(OBS, PRED)" H 49 0.410 1
11 1 2 1 "RMS(OBS, PRED)" HA 63 0.370 1
12 1 2 1 "RMS(OBS, PRED)" N 49 2.438 1
13 1 3 1 "RMS(OBS, PRED)" C 57 0.802 1
14 1 3 1 "RMS(OBS, PRED)" CA 57 0.772 1
15 1 3 1 "RMS(OBS, PRED)" CB 51 1.185 1
16 1 3 1 "RMS(OBS, PRED)" H 49 0.421 1
17 1 3 1 "RMS(OBS, PRED)" HA 63 0.379 1
18 1 3 1 "RMS(OBS, PRED)" N 49 2.554 1
19 1 4 1 "RMS(OBS, PRED)" C 57 0.886 1
20 1 4 1 "RMS(OBS, PRED)" CA 57 0.953 1
21 1 4 1 "RMS(OBS, PRED)" CB 51 1.231 1
22 1 4 1 "RMS(OBS, PRED)" H 49 0.504 1
23 1 4 1 "RMS(OBS, PRED)" HA 63 0.394 1
24 1 4 1 "RMS(OBS, PRED)" N 49 2.582 1
25 1 5 1 "RMS(OBS, PRED)" C 57 0.784 1
26 1 5 1 "RMS(OBS, PRED)" CA 57 0.778 1
27 1 5 1 "RMS(OBS, PRED)" CB 51 1.184 1
28 1 5 1 "RMS(OBS, PRED)" H 49 0.407 1
29 1 5 1 "RMS(OBS, PRED)" HA 63 0.384 1
30 1 5 1 "RMS(OBS, PRED)" N 49 2.238 1
31 1 6 1 "RMS(OBS, PRED)" C 57 0.773 1
32 1 6 1 "RMS(OBS, PRED)" CA 57 0.879 1
33 1 6 1 "RMS(OBS, PRED)" CB 51 1.141 1
34 1 6 1 "RMS(OBS, PRED)" H 49 0.501 1
35 1 6 1 "RMS(OBS, PRED)" HA 63 0.402 1
36 1 6 1 "RMS(OBS, PRED)" N 49 2.114 1
37 1 7 1 "RMS(OBS, PRED)" C 57 0.836 1
38 1 7 1 "RMS(OBS, PRED)" CA 57 1.028 1
39 1 7 1 "RMS(OBS, PRED)" CB 51 1.137 1
40 1 7 1 "RMS(OBS, PRED)" H 49 0.495 1
41 1 7 1 "RMS(OBS, PRED)" HA 63 0.376 1
42 1 7 1 "RMS(OBS, PRED)" N 49 2.767 1
43 1 8 1 "RMS(OBS, PRED)" C 57 0.815 1
44 1 8 1 "RMS(OBS, PRED)" CA 57 0.831 1
45 1 8 1 "RMS(OBS, PRED)" CB 51 0.992 1
46 1 8 1 "RMS(OBS, PRED)" H 49 0.426 1
47 1 8 1 "RMS(OBS, PRED)" HA 63 0.399 1
48 1 8 1 "RMS(OBS, PRED)" N 49 2.343 1
49 1 9 1 "RMS(OBS, PRED)" C 57 0.803 1
50 1 9 1 "RMS(OBS, PRED)" CA 57 0.919 1
51 1 9 1 "RMS(OBS, PRED)" CB 51 1.222 1
52 1 9 1 "RMS(OBS, PRED)" H 49 0.473 1
53 1 9 1 "RMS(OBS, PRED)" HA 63 0.376 1
54 1 9 1 "RMS(OBS, PRED)" N 49 2.499 1
55 1 10 1 "RMS(OBS, PRED)" C 57 0.822 1
56 1 10 1 "RMS(OBS, PRED)" CA 57 0.939 1
57 1 10 1 "RMS(OBS, PRED)" CB 51 0.900 1
58 1 10 1 "RMS(OBS, PRED)" H 49 0.475 1
59 1 10 1 "RMS(OBS, PRED)" HA 63 0.411 1
60 1 10 1 "RMS(OBS, PRED)" N 49 2.305 1
61 1 11 1 "RMS(OBS, PRED)" C 57 0.911 1
62 1 11 1 "RMS(OBS, PRED)" CA 57 0.905 1
63 1 11 1 "RMS(OBS, PRED)" CB 51 1.393 1
64 1 11 1 "RMS(OBS, PRED)" H 49 0.477 1
65 1 11 1 "RMS(OBS, PRED)" HA 63 0.403 1
66 1 11 1 "RMS(OBS, PRED)" N 49 2.557 1
67 1 12 1 "RMS(OBS, PRED)" C 57 0.841 1
68 1 12 1 "RMS(OBS, PRED)" CA 57 0.940 1
69 1 12 1 "RMS(OBS, PRED)" CB 51 1.261 1
70 1 12 1 "RMS(OBS, PRED)" H 49 0.416 1
71 1 12 1 "RMS(OBS, PRED)" HA 63 0.391 1
72 1 12 1 "RMS(OBS, PRED)" N 49 2.599 1
73 1 13 1 "RMS(OBS, PRED)" C 57 0.869 1
74 1 13 1 "RMS(OBS, PRED)" CA 57 0.919 1
75 1 13 1 "RMS(OBS, PRED)" CB 51 1.183 1
76 1 13 1 "RMS(OBS, PRED)" H 49 0.487 1
77 1 13 1 "RMS(OBS, PRED)" HA 63 0.388 1
78 1 13 1 "RMS(OBS, PRED)" N 49 3.060 1
79 1 14 1 "RMS(OBS, PRED)" C 57 0.760 1
80 1 14 1 "RMS(OBS, PRED)" CA 57 0.958 1
81 1 14 1 "RMS(OBS, PRED)" CB 51 1.209 1
82 1 14 1 "RMS(OBS, PRED)" H 49 0.484 1
83 1 14 1 "RMS(OBS, PRED)" HA 63 0.370 1
84 1 14 1 "RMS(OBS, PRED)" N 49 2.306 1
85 1 15 1 "RMS(OBS, PRED)" C 57 0.781 1
86 1 15 1 "RMS(OBS, PRED)" CA 57 0.831 1
87 1 15 1 "RMS(OBS, PRED)" CB 51 1.069 1
88 1 15 1 "RMS(OBS, PRED)" H 49 0.433 1
89 1 15 1 "RMS(OBS, PRED)" HA 63 0.406 1
90 1 15 1 "RMS(OBS, PRED)" N 49 2.640 1
91 1 16 1 "RMS(OBS, PRED)" C 57 0.831 1
92 1 16 1 "RMS(OBS, PRED)" CA 57 0.966 1
93 1 16 1 "RMS(OBS, PRED)" CB 51 1.330 1
94 1 16 1 "RMS(OBS, PRED)" H 49 0.487 1
95 1 16 1 "RMS(OBS, PRED)" HA 63 0.364 1
96 1 16 1 "RMS(OBS, PRED)" N 49 3.050 1
97 1 17 1 "RMS(OBS, PRED)" C 57 0.889 1
98 1 17 1 "RMS(OBS, PRED)" CA 57 0.927 1
99 1 17 1 "RMS(OBS, PRED)" CB 51 1.234 1
100 1 17 1 "RMS(OBS, PRED)" H 49 0.495 1
101 1 17 1 "RMS(OBS, PRED)" HA 63 0.391 1
102 1 17 1 "RMS(OBS, PRED)" N 49 2.898 1
103 1 18 1 "RMS(OBS, PRED)" C 57 0.883 1
104 1 18 1 "RMS(OBS, PRED)" CA 57 0.888 1
105 1 18 1 "RMS(OBS, PRED)" CB 51 1.078 1
106 1 18 1 "RMS(OBS, PRED)" H 49 0.503 1
107 1 18 1 "RMS(OBS, PRED)" HA 63 0.376 1
108 1 18 1 "RMS(OBS, PRED)" N 49 2.634 1
109 1 19 1 "RMS(OBS, PRED)" C 57 0.826 1
110 1 19 1 "RMS(OBS, PRED)" CA 57 0.958 1
111 1 19 1 "RMS(OBS, PRED)" CB 51 1.062 1
112 1 19 1 "RMS(OBS, PRED)" H 49 0.525 1
113 1 19 1 "RMS(OBS, PRED)" HA 63 0.393 1
114 1 19 1 "RMS(OBS, PRED)" N 49 2.694 1
115 1 20 1 "RMS(OBS, PRED)" C 57 0.812 1
116 1 20 1 "RMS(OBS, PRED)" CA 57 0.915 1
117 1 20 1 "RMS(OBS, PRED)" CB 51 1.196 1
118 1 20 1 "RMS(OBS, PRED)" H 49 0.432 1
119 1 20 1 "RMS(OBS, PRED)" HA 63 0.389 1
120 1 20 1 "RMS(OBS, PRED)" N 49 2.859 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 1 . 1 1 A 3 3 SER HA H 3 4.520 4.718 -0.198 2
1 4 . 1 1 A 3 3 SER C C 3 174.700 174.572 0.127 2
1 5 . 1 1 A 3 3 SER CA C 3 58.400 58.166 0.234 2
1 6 . 1 1 A 3 3 SER CB C 3 64.000 63.854 0.146 2
1 7 . 1 1 A 4 4 GLY H H 4 8.350 8.419 -0.069 2
1 8 . 1 1 A 4 4 GLY HA2 H 4 3.910 3.987 -0.077 2
1 9 . 1 1 A 4 4 GLY HA3 H 4 4.050 3.990 0.060 2
1 10 . 1 1 A 4 4 GLY C C 4 173.800 173.877 -0.077 2
1 11 . 1 1 A 4 4 GLY CA C 4 45.300 45.868 -0.568 2
1 12 . 1 1 A 4 4 GLY N N 4 110.300 111.773 -1.473 2
1 13 . 1 1 A 5 5 LYS H H 5 8.110 8.011 0.099 2
1 14 . 1 1 A 5 5 LYS HA H 5 4.310 4.611 -0.301 2
1 23 . 1 1 A 5 5 LYS C C 5 175.700 175.320 0.380 2
1 24 . 1 1 A 5 5 LYS CA C 5 56.100 55.706 0.394 2
1 25 . 1 1 A 5 5 LYS CB C 5 33.200 33.811 -0.611 2
1 29 . 1 1 A 5 5 LYS N N 5 120.500 120.016 0.484 2
1 30 . 1 1 A 6 6 LYS H H 6 7.980 8.640 -0.660 2
1 31 . 1 1 A 6 6 LYS HA H 6 4.730 4.944 -0.214 2
1 40 . 1 1 A 6 6 LYS C C 6 174.800 174.537 0.263 2
1 41 . 1 1 A 6 6 LYS CA C 6 54.000 53.430 0.570 2
1 42 . 1 1 A 6 6 LYS CB C 6 33.300 34.747 -1.447 2
1 46 . 1 1 A 6 6 LYS N N 6 121.900 121.512 0.388 2
1 47 . 1 1 A 7 7 PRO HA H 7 4.610 5.070 -0.460 2
1 54 . 1 1 A 7 7 PRO C C 7 175.900 175.471 0.429 2
1 55 . 1 1 A 7 7 PRO CA C 7 62.500 62.481 0.019 2
1 56 . 1 1 A 7 7 PRO CB C 7 32.600 32.588 0.012 2
1 59 . 1 1 A 8 8 VAL H H 8 9.040 8.758 0.282 2
1 60 . 1 1 A 8 8 VAL HA H 8 4.430 4.717 -0.287 2
1 68 . 1 1 A 8 8 VAL C C 8 173.900 174.346 -0.446 2
1 69 . 1 1 A 8 8 VAL CA C 8 60.200 59.705 0.495 2
1 70 . 1 1 A 8 8 VAL CB C 8 35.600 35.170 0.430 2
1 73 . 1 1 A 8 8 VAL N N 8 119.900 121.680 -1.780 2
1 74 . 1 1 A 9 9 LYS H H 9 8.390 8.435 -0.045 2
1 75 . 1 1 A 9 9 LYS HA H 9 4.610 4.488 0.122 2
1 84 . 1 1 A 9 9 LYS C C 9 175.500 175.314 0.186 2
1 85 . 1 1 A 9 9 LYS CA C 9 56.800 56.355 0.445 2
1 86 . 1 1 A 9 9 LYS CB C 9 31.700 32.823 -1.123 2
1 90 . 1 1 A 9 9 LYS N N 9 125.800 127.362 -1.562 2
1 91 . 1 1 A 10 10 VAL H H 10 8.740 8.853 -0.113 2
1 92 . 1 1 A 10 10 VAL HA H 10 4.040 4.677 -0.637 2
1 100 . 1 1 A 10 10 VAL C C 10 173.600 174.035 -0.435 2
1 101 . 1 1 A 10 10 VAL CA C 10 58.600 59.258 -0.658 2
1 102 . 1 1 A 10 10 VAL CB C 10 35.200 34.978 0.222 2
1 105 . 1 1 A 10 10 VAL N N 10 120.700 124.602 -3.902 2
1 106 . 1 1 A 11 11 LYS H H 11 7.320 8.098 -0.778 2
1 107 . 1 1 A 11 11 LYS HA H 11 5.000 4.637 0.363 2
1 116 . 1 1 A 11 11 LYS C C 11 176.600 176.831 -0.231 2
1 117 . 1 1 A 11 11 LYS CA C 11 54.800 55.806 -1.006 2
1 118 . 1 1 A 11 11 LYS CB C 11 33.700 33.190 0.510 2
1 122 . 1 1 A 11 11 LYS N N 11 120.600 125.907 -5.308 2
1 123 . 1 1 A 12 12 THR H H 12 8.950 9.200 -0.250 2
1 124 . 1 1 A 12 12 THR HA H 12 3.700 4.338 -0.638 2
1 129 . 1 1 A 12 12 THR C C 12 175.100 174.751 0.349 2
1 130 . 1 1 A 12 12 THR CA C 12 59.700 59.583 0.117 2
1 131 . 1 1 A 12 12 THR CB C 12 67.700 68.933 -1.233 2
1 133 . 1 1 A 12 12 THR N N 12 115.400 116.722 -1.322 2
1 134 . 1 1 A 13 13 PRO HA H 13 4.180 4.270 -0.090 2
1 141 . 1 1 A 13 13 PRO C C 13 177.000 177.382 -0.382 2
1 142 . 1 1 A 13 13 PRO CA C 13 65.000 64.290 0.710 2
1 143 . 1 1 A 13 13 PRO CB C 13 31.400 31.544 -0.144 2
1 146 . 1 1 A 14 14 ALA H H 14 7.240 7.427 -0.187 2
1 147 . 1 1 A 14 14 ALA HA H 14 4.310 4.189 0.121 2
1 151 . 1 1 A 14 14 ALA C C 14 177.900 177.645 0.255 2
1 152 . 1 1 A 14 14 ALA CA C 14 52.200 52.492 -0.292 2
1 153 . 1 1 A 14 14 ALA CB C 14 19.000 19.341 -0.341 2
1 154 . 1 1 A 14 14 ALA N N 14 116.100 117.902 -1.802 2
1 155 . 1 1 A 15 15 GLY H H 15 8.310 8.113 0.197 2
1 156 . 1 1 A 15 15 GLY HA2 H 15 3.520 3.903 -0.383 2
1 157 . 1 1 A 15 15 GLY HA3 H 15 4.220 3.916 0.304 2
1 158 . 1 1 A 15 15 GLY C C 15 174.000 173.919 0.081 2
1 159 . 1 1 A 15 15 GLY CA C 15 45.300 45.436 -0.136 2
1 160 . 1 1 A 15 15 GLY N N 15 107.000 106.786 0.214 2
1 161 . 1 1 A 16 16 LYS H H 16 6.960 7.444 -0.484 2
1 162 . 1 1 A 16 16 LYS HA H 16 4.490 4.736 -0.246 2
1 171 . 1 1 A 16 16 LYS C C 16 175.400 174.990 0.410 2
1 172 . 1 1 A 16 16 LYS CA C 16 54.800 54.712 0.088 2
1 173 . 1 1 A 16 16 LYS CB C 16 33.900 34.982 -1.082 2
1 177 . 1 1 A 16 16 LYS N N 16 119.200 116.954 2.246 2
1 178 . 1 1 A 17 17 GLU H H 17 8.520 8.535 -0.015 2
1 179 . 1 1 A 17 17 GLU HA H 17 4.990 5.102 -0.112 2
1 184 . 1 1 A 17 17 GLU C C 17 175.800 175.589 0.211 2
1 185 . 1 1 A 17 17 GLU CA C 17 55.900 55.238 0.662 2
1 186 . 1 1 A 17 17 GLU CB C 17 30.900 31.549 -0.649 2
1 188 . 1 1 A 17 17 GLU N N 17 122.200 120.756 1.444 2
1 189 . 1 1 A 18 18 ALA H H 18 8.870 8.802 0.068 2
1 190 . 1 1 A 18 18 ALA HA H 18 4.620 4.984 -0.364 2
1 194 . 1 1 A 18 18 ALA C C 18 174.600 176.029 -1.429 2
1 195 . 1 1 A 18 18 ALA CA C 18 51.000 50.603 0.397 2
1 196 . 1 1 A 18 18 ALA CB C 18 22.300 23.305 -1.005 2
1 197 . 1 1 A 18 18 ALA N N 18 127.200 126.393 0.807 2
1 198 . 1 1 A 19 19 GLU H H 19 8.450 8.528 -0.078 2
1 199 . 1 1 A 19 19 GLU HA H 19 4.830 5.009 -0.179 2
1 204 . 1 1 A 19 19 GLU C C 19 175.200 175.301 -0.101 2
1 205 . 1 1 A 19 19 GLU CA C 19 55.400 55.975 -0.575 2
1 206 . 1 1 A 19 19 GLU CB C 19 30.100 30.300 -0.200 2
1 208 . 1 1 A 19 19 GLU N N 19 121.700 120.295 1.405 2
1 209 . 1 1 A 20 20 LEU H H 20 8.470 8.909 -0.439 2
1 210 . 1 1 A 20 20 LEU HA H 20 5.030 5.088 -0.058 2
1 220 . 1 1 A 20 20 LEU C C 20 175.600 175.421 0.179 2
1 221 . 1 1 A 20 20 LEU CA C 20 53.000 53.468 -0.468 2
1 222 . 1 1 A 20 20 LEU CB C 20 47.600 45.090 2.510 2
1 226 . 1 1 A 20 20 LEU N N 20 124.600 126.338 -1.738 2
1 227 . 1 1 A 21 21 VAL H H 21 8.880 8.983 -0.103 2
1 228 . 1 1 A 21 21 VAL HA H 21 4.540 4.759 -0.219 2
1 236 . 1 1 A 21 21 VAL C C 21 175.000 174.221 0.779 2
1 237 . 1 1 A 21 21 VAL CA C 21 59.400 59.683 -0.283 2
1 238 . 1 1 A 21 21 VAL CB C 21 33.300 33.508 -0.208 2
1 241 . 1 1 A 21 21 VAL N N 21 123.200 124.667 -1.467 2
1 242 . 1 1 A 22 22 PRO HA H 22 3.520 4.296 -0.776 2
1 249 . 1 1 A 22 22 PRO C C 22 176.300 177.497 -1.197 2
1 250 . 1 1 A 22 22 PRO CA C 22 62.600 62.474 0.126 2
1 251 . 1 1 A 22 22 PRO CB C 22 30.800 31.752 -0.952 2
1 254 . 1 1 A 23 23 GLU H H 23 8.830 9.236 -0.406 2
1 255 . 1 1 A 23 23 GLU HA H 23 4.070 4.224 -0.154 2
1 260 . 1 1 A 23 23 GLU C C 23 176.700 176.314 0.386 2
1 261 . 1 1 A 23 23 GLU CA C 23 57.700 59.222 -1.522 2
1 262 . 1 1 A 23 23 GLU CB C 23 30.900 30.997 -0.097 2
1 264 . 1 1 A 23 23 GLU N N 23 121.200 121.162 0.038 2
1 265 . 1 1 A 24 24 LYS H H 24 7.120 7.631 -0.511 2
1 266 . 1 1 A 24 24 LYS HA H 24 4.480 4.961 -0.481 2
1 275 . 1 1 A 24 24 LYS C C 24 173.900 174.735 -0.835 2
1 276 . 1 1 A 24 24 LYS CA C 24 55.000 55.384 -0.384 2
1 277 . 1 1 A 24 24 LYS CB C 24 36.800 35.866 0.934 2
1 281 . 1 1 A 24 24 LYS N N 24 114.600 117.265 -2.665 2
1 282 . 1 1 A 25 25 VAL H H 25 8.240 8.809 -0.569 2
1 283 . 1 1 A 25 25 VAL HA H 25 5.030 5.029 0.001 2
1 291 . 1 1 A 25 25 VAL C C 25 174.500 174.815 -0.315 2
1 292 . 1 1 A 25 25 VAL CA C 25 60.200 59.955 0.245 2
1 293 . 1 1 A 25 25 VAL CB C 25 35.400 35.133 0.267 2
1 296 . 1 1 A 25 25 VAL N N 25 117.400 118.343 -0.943 2
1 297 . 1 1 A 26 26 TRP H H 26 9.130 8.880 0.250 2
1 298 . 1 1 A 26 26 TRP HA H 26 4.880 5.482 -0.602 2
1 307 . 1 1 A 26 26 TRP C C 26 172.600 173.390 -0.790 2
1 308 . 1 1 A 26 26 TRP CA C 26 57.800 55.483 2.317 2
1 309 . 1 1 A 26 26 TRP CB C 26 31.500 32.228 -0.728 2
1 315 . 1 1 A 26 26 TRP N N 26 122.500 121.061 1.439 2
1 317 . 1 1 A 27 27 ALA H H 27 8.640 8.954 -0.314 2
1 318 . 1 1 A 27 27 ALA HA H 27 5.170 5.448 -0.278 2
1 322 . 1 1 A 27 27 ALA C C 27 177.000 175.963 1.037 2
1 323 . 1 1 A 27 27 ALA CA C 27 50.500 50.408 0.092 2
1 324 . 1 1 A 27 27 ALA CB C 27 21.000 22.392 -1.392 2
1 325 . 1 1 A 27 27 ALA N N 27 122.200 122.488 -0.288 2
1 326 . 1 1 A 28 28 LEU H H 28 8.860 9.512 -0.652 2
1 327 . 1 1 A 28 28 LEU HA H 28 4.590 4.889 -0.299 2
1 337 . 1 1 A 28 28 LEU C C 28 176.100 175.296 0.804 2
1 338 . 1 1 A 28 28 LEU CA C 28 54.500 54.066 0.434 2
1 339 . 1 1 A 28 28 LEU CB C 28 43.100 41.814 1.286 2
1 343 . 1 1 A 28 28 LEU N N 28 123.300 123.068 0.232 2
1 344 . 1 1 A 29 29 ALA H H 29 8.540 8.463 0.077 2
1 345 . 1 1 A 29 29 ALA HA H 29 4.820 4.899 -0.079 2
1 349 . 1 1 A 29 29 ALA C C 29 174.300 175.893 -1.593 2
1 350 . 1 1 A 29 29 ALA CA C 29 50.000 49.210 0.790 2
1 351 . 1 1 A 29 29 ALA CB C 29 19.000 20.148 -1.148 2
1 352 . 1 1 A 29 29 ALA N N 29 125.900 127.868 -1.968 2
1 353 . 1 1 A 30 30 PRO HA H 30 4.440 4.540 -0.100 2
1 360 . 1 1 A 30 30 PRO C C 30 176.800 176.935 -0.135 2
1 361 . 1 1 A 30 30 PRO CA C 30 62.600 63.868 -1.268 2
1 362 . 1 1 A 30 30 PRO CB C 30 31.900 31.820 0.080 2
1 365 . 1 1 A 31 31 LYS H H 31 8.370 8.082 0.288 2
1 366 . 1 1 A 31 31 LYS HA H 31 4.170 4.282 -0.112 2
1 375 . 1 1 A 31 31 LYS C C 31 177.700 176.562 1.138 2
1 376 . 1 1 A 31 31 LYS CA C 31 57.300 57.255 0.045 2
1 377 . 1 1 A 31 31 LYS CB C 31 32.000 33.150 -1.150 2
1 381 . 1 1 A 31 31 LYS N N 31 121.500 118.434 3.066 2
1 382 . 1 1 A 32 32 GLY H H 32 8.720 8.471 0.249 2
1 383 . 1 1 A 32 32 GLY HA2 H 32 3.780 3.988 -0.208 2
1 384 . 1 1 A 32 32 GLY HA3 H 32 4.120 3.988 0.132 2
1 385 . 1 1 A 32 32 GLY C C 32 173.900 173.504 0.396 2
1 386 . 1 1 A 32 32 GLY CA C 32 45.700 45.747 -0.047 2
1 387 . 1 1 A 32 32 GLY N N 32 112.200 109.892 2.308 2
1 388 . 1 1 A 33 33 ARG H H 33 7.790 7.959 -0.169 2
1 389 . 1 1 A 33 33 ARG HA H 33 4.590 4.711 -0.121 2
1 396 . 1 1 A 33 33 ARG C C 33 175.200 175.902 -0.702 2
1 397 . 1 1 A 33 33 ARG CA C 33 54.700 54.926 -0.226 2
1 398 . 1 1 A 33 33 ARG CB C 33 32.300 32.956 -0.656 2
1 401 . 1 1 A 33 33 ARG N N 33 118.800 121.056 -2.256 2
1 402 . 1 1 A 34 34 LYS H H 34 8.190 8.518 -0.328 2
1 403 . 1 1 A 34 34 LYS HA H 34 4.280 4.286 -0.006 2
1 412 . 1 1 A 34 34 LYS C C 34 176.700 176.602 0.098 2
1 413 . 1 1 A 34 34 LYS CA C 34 56.800 56.948 -0.148 2
1 414 . 1 1 A 34 34 LYS CB C 34 32.900 33.621 -0.721 2
1 418 . 1 1 A 34 34 LYS N N 34 120.600 120.892 -0.292 2
1 419 . 1 1 A 35 35 GLY H H 35 8.490 8.073 0.417 2
1 420 . 1 1 A 35 35 GLY HA2 H 35 3.900 4.050 -0.150 2
1 421 . 1 1 A 35 35 GLY HA3 H 35 4.260 4.051 0.209 2
1 422 . 1 1 A 35 35 GLY C C 35 173.200 173.379 -0.179 2
1 423 . 1 1 A 35 35 GLY CA C 35 45.500 45.225 0.275 2
1 424 . 1 1 A 35 35 GLY N N 35 110.400 107.319 3.081 2
1 425 . 1 1 A 36 36 VAL H H 36 8.130 8.598 -0.467 2
1 426 . 1 1 A 36 36 VAL HA H 36 4.380 4.382 -0.002 2
1 434 . 1 1 A 36 36 VAL C C 36 174.100 175.053 -0.953 2
1 435 . 1 1 A 36 36 VAL CA C 36 61.500 61.616 -0.116 2
1 436 . 1 1 A 36 36 VAL CB C 36 34.700 32.268 2.432 2
1 438 . 1 1 A 36 36 VAL N N 36 119.000 122.353 -3.353 2
1 439 . 1 1 A 37 37 LYS H H 37 9.020 8.681 0.339 2
1 440 . 1 1 A 37 37 LYS HA H 37 5.070 4.824 0.246 2
1 449 . 1 1 A 37 37 LYS C C 37 174.700 175.548 -0.848 2
1 450 . 1 1 A 37 37 LYS CA C 37 55.400 55.660 -0.260 2
1 451 . 1 1 A 37 37 LYS CB C 37 35.700 33.891 1.809 2
1 455 . 1 1 A 37 37 LYS N N 37 125.600 125.890 -0.290 2
1 456 . 1 1 A 38 38 ILE H H 38 8.860 8.804 0.056 2
1 457 . 1 1 A 38 38 ILE HA H 38 4.390 4.722 -0.332 2
1 467 . 1 1 A 38 38 ILE C C 38 173.100 174.160 -1.060 2
1 468 . 1 1 A 38 38 ILE CA C 38 59.000 59.280 -0.280 2
1 469 . 1 1 A 38 38 ILE CB C 38 40.900 41.429 -0.529 2
1 473 . 1 1 A 38 38 ILE N N 38 123.300 123.810 -0.510 2
1 474 . 1 1 A 39 39 GLY H H 39 8.600 8.787 -0.187 2
1 475 . 1 1 A 39 39 GLY HA2 H 39 2.920 3.809 -0.889 2
1 476 . 1 1 A 39 39 GLY HA3 H 39 5.060 3.842 1.218 2
1 477 . 1 1 A 39 39 GLY C C 39 170.400 171.299 -0.899 2
1 478 . 1 1 A 39 39 GLY CA C 39 43.800 43.517 0.283 2
1 479 . 1 1 A 39 39 GLY N N 39 109.500 113.854 -4.354 2
1 480 . 1 1 A 40 40 LEU H H 40 8.090 8.702 -0.612 2
1 481 . 1 1 A 40 40 LEU HA H 40 4.870 4.876 -0.006 2
1 491 . 1 1 A 40 40 LEU C C 40 174.100 174.575 -0.475 2
1 492 . 1 1 A 40 40 LEU CA C 40 53.400 53.490 -0.090 2
1 493 . 1 1 A 40 40 LEU CB C 40 45.500 44.153 1.347 2
1 497 . 1 1 A 40 40 LEU N N 40 122.200 124.279 -2.079 2
1 498 . 1 1 A 41 41 PHE H H 41 9.180 9.618 -0.438 2
1 499 . 1 1 A 41 41 PHE HA H 41 4.620 5.081 -0.461 2
1 507 . 1 1 A 41 41 PHE C C 41 173.000 173.904 -0.904 2
1 508 . 1 1 A 41 41 PHE CA C 41 56.000 56.080 -0.080 2
1 509 . 1 1 A 41 41 PHE CB C 41 43.400 43.071 0.329 2
1 515 . 1 1 A 41 41 PHE N N 41 124.600 125.472 -0.872 2
1 516 . 1 1 A 42 42 LYS H H 42 8.460 8.835 -0.375 2
1 517 . 1 1 A 42 42 LYS HA H 42 4.320 4.972 -0.652 2
1 526 . 1 1 A 42 42 LYS C C 42 175.800 175.188 0.612 2
1 527 . 1 1 A 42 42 LYS CA C 42 54.700 54.338 0.362 2
1 528 . 1 1 A 42 42 LYS CB C 42 34.500 35.252 -0.752 2
1 532 . 1 1 A 42 42 LYS N N 42 120.800 120.841 -0.041 2
1 533 . 1 1 A 43 43 ASP H H 43 8.970 9.190 -0.220 2
1 534 . 1 1 A 43 43 ASP HA H 43 4.720 4.888 -0.168 2
1 537 . 1 1 A 43 43 ASP C C 43 175.800 176.078 -0.278 2
1 538 . 1 1 A 43 43 ASP CA C 43 52.100 51.920 0.180 2
1 539 . 1 1 A 43 43 ASP CB C 43 42.700 42.094 0.606 2
1 540 . 1 1 A 43 43 ASP N N 43 127.600 126.922 0.678 2
1 541 . 1 1 A 44 44 PRO HA H 44 4.320 4.449 -0.129 2
1 548 . 1 1 A 44 44 PRO C C 44 177.900 177.682 0.218 2
1 549 . 1 1 A 44 44 PRO CA C 44 64.300 64.380 -0.080 2
1 550 . 1 1 A 44 44 PRO CB C 44 32.300 31.994 0.306 2
1 553 . 1 1 A 45 45 GLU H H 45 8.320 8.346 -0.026 2
1 554 . 1 1 A 45 45 GLU HA H 45 4.230 4.252 -0.022 2
1 559 . 1 1 A 45 45 GLU C C 45 177.800 178.283 -0.483 2
1 560 . 1 1 A 45 45 GLU CA C 45 58.600 58.817 -0.217 2
1 561 . 1 1 A 45 45 GLU CB C 45 30.700 30.358 0.342 2
1 563 . 1 1 A 45 45 GLU N N 45 116.000 117.494 -1.494 2
1 564 . 1 1 A 46 46 THR H H 46 7.320 8.685 -1.365 2
1 565 . 1 1 A 46 46 THR HA H 46 4.460 4.442 0.018 2
1 570 . 1 1 A 46 46 THR C C 46 176.300 176.117 0.183 2
1 571 . 1 1 A 46 46 THR CA C 46 61.700 62.486 -0.786 2
1 572 . 1 1 A 46 46 THR CB C 46 71.500 70.645 0.855 2
1 574 . 1 1 A 46 46 THR N N 46 105.100 108.780 -3.680 2
1 575 . 1 1 A 47 47 GLY H H 47 8.550 8.304 0.246 2
1 576 . 1 1 A 47 47 GLY HA2 H 47 3.570 3.902 -0.332 2
1 577 . 1 1 A 47 47 GLY HA3 H 47 4.160 3.927 0.233 2
1 578 . 1 1 A 47 47 GLY C C 47 173.200 174.318 -1.118 2
1 579 . 1 1 A 47 47 GLY CA C 47 45.700 45.504 0.196 2
1 580 . 1 1 A 47 47 GLY N N 47 111.500 111.804 -0.304 2
1 581 . 1 1 A 48 48 LYS H H 48 7.700 7.629 0.071 2
1 582 . 1 1 A 48 48 LYS HA H 48 4.410 4.688 -0.278 2
1 591 . 1 1 A 48 48 LYS C C 48 176.600 175.281 1.319 2
1 592 . 1 1 A 48 48 LYS CA C 48 55.800 55.481 0.319 2
1 593 . 1 1 A 48 48 LYS CB C 48 33.900 34.227 -0.327 2
1 597 . 1 1 A 48 48 LYS N N 48 118.800 118.243 0.557 2
1 598 . 1 1 A 49 49 TYR H H 49 8.740 9.141 -0.401 2
1 599 . 1 1 A 49 49 TYR HA H 49 5.670 5.634 0.036 2
1 606 . 1 1 A 49 49 TYR C C 49 177.400 175.790 1.610 2
1 607 . 1 1 A 49 49 TYR CA C 49 58.200 57.021 1.179 2
1 608 . 1 1 A 49 49 TYR CB C 49 40.300 39.941 0.359 2
1 613 . 1 1 A 49 49 TYR N N 49 121.100 121.389 -0.289 2
1 614 . 1 1 A 50 50 PHE H H 50 9.630 9.324 0.306 2
1 615 . 1 1 A 50 50 PHE HA H 50 5.150 5.706 -0.556 2
1 623 . 1 1 A 50 50 PHE C C 50 172.500 173.507 -1.007 2
1 624 . 1 1 A 50 50 PHE CA C 50 56.200 55.363 0.837 2
1 625 . 1 1 A 50 50 PHE CB C 50 41.400 42.727 -1.327 2
1 631 . 1 1 A 50 50 PHE N N 50 118.400 119.694 -1.294 2
1 632 . 1 1 A 51 51 ARG H H 51 8.940 8.944 -0.005 2
1 633 . 1 1 A 51 51 ARG HA H 51 5.740 5.274 0.466 2
1 640 . 1 1 A 51 51 ARG C C 51 176.600 175.116 1.484 2
1 641 . 1 1 A 51 51 ARG CA C 51 54.900 55.442 -0.542 2
1 642 . 1 1 A 51 51 ARG CB C 51 32.700 31.745 0.955 2
1 645 . 1 1 A 51 51 ARG N N 51 120.700 119.755 0.945 2
1 646 . 1 1 A 52 52 HIS H H 52 9.130 9.122 0.008 2
1 647 . 1 1 A 52 52 HIS HA H 52 4.730 5.344 -0.614 2
1 651 . 1 1 A 52 52 HIS C C 52 173.900 173.184 0.716 2
1 652 . 1 1 A 52 52 HIS CA C 52 56.600 55.428 1.172 2
1 653 . 1 1 A 52 52 HIS CB C 52 33.700 33.858 -0.158 2
1 655 . 1 1 A 52 52 HIS N N 52 120.400 122.452 -2.052 2
1 656 . 1 1 A 53 53 LYS H H 53 8.770 7.949 0.821 2
1 657 . 1 1 A 53 53 LYS HA H 53 4.590 4.285 0.305 2
1 666 . 1 1 A 53 53 LYS C C 53 176.700 176.214 0.486 2
1 667 . 1 1 A 53 53 LYS CA C 53 58.000 56.428 1.572 2
1 668 . 1 1 A 53 53 LYS CB C 53 33.300 32.889 0.411 2
1 672 . 1 1 A 53 53 LYS N N 53 127.500 123.711 3.789 2
1 673 . 1 1 A 54 54 LEU H H 54 8.690 9.054 -0.364 2
1 674 . 1 1 A 54 54 LEU HA H 54 4.830 4.714 0.116 2
1 684 . 1 1 A 54 54 LEU C C 54 173.900 174.505 -0.605 2
1 685 . 1 1 A 54 54 LEU CA C 54 51.700 52.573 -0.873 2
1 686 . 1 1 A 54 54 LEU CB C 54 41.400 41.767 -0.367 2
1 690 . 1 1 A 54 54 LEU N N 54 125.400 125.217 0.183 2
1 691 . 1 1 A 55 55 PRO HA H 55 4.420 4.608 -0.188 2
1 698 . 1 1 A 55 55 PRO C C 55 177.100 177.298 -0.198 2
1 699 . 1 1 A 55 55 PRO CA C 55 62.900 62.862 0.038 2
1 700 . 1 1 A 55 55 PRO CB C 55 32.500 32.522 -0.022 2
1 703 . 1 1 A 56 56 ASP H H 56 8.740 8.757 -0.017 2
1 704 . 1 1 A 56 56 ASP HA H 56 4.440 4.359 0.081 2
1 707 . 1 1 A 56 56 ASP C C 56 177.200 176.979 0.221 2
1 708 . 1 1 A 56 56 ASP CA C 56 57.500 56.730 0.770 2
1 709 . 1 1 A 56 56 ASP CB C 56 40.500 40.462 0.038 2
1 710 . 1 1 A 56 56 ASP N N 56 120.700 122.673 -1.973 2
1 711 . 1 1 A 57 57 ASP H H 57 8.350 7.947 0.403 2
1 712 . 1 1 A 57 57 ASP HA H 57 4.620 4.718 -0.098 2
1 715 . 1 1 A 57 57 ASP C C 57 176.300 175.810 0.490 2
1 716 . 1 1 A 57 57 ASP CA C 57 52.600 54.139 -1.539 2
1 717 . 1 1 A 57 57 ASP CB C 57 39.500 40.927 -1.427 2
1 718 . 1 1 A 57 57 ASP N N 57 116.400 117.309 -0.909 2
1 719 . 1 1 A 58 58 TYR H H 58 7.890 7.785 0.105 2
1 720 . 1 1 A 58 58 TYR HA H 58 4.350 4.715 -0.365 2
1 727 . 1 1 A 58 58 TYR C C 58 174.400 174.417 -0.017 2
1 728 . 1 1 A 58 58 TYR CA C 58 58.400 57.047 1.353 2
1 729 . 1 1 A 58 58 TYR CB C 58 40.300 39.594 0.706 2
1 734 . 1 1 A 58 58 TYR N N 58 125.500 122.567 2.933 2
1 735 . 1 1 A 59 59 PRO HA H 59 4.360 4.636 -0.276 2
1 742 . 1 1 A 59 59 PRO C C 59 174.700 176.445 -1.745 2
1 743 . 1 1 A 59 59 PRO CA C 59 63.400 62.285 1.115 2
1 744 . 1 1 A 59 59 PRO CB C 59 31.100 31.590 -0.490 2
stop_
save_