data_7366_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 7366
_Entry.PDB_ID 2NOC
_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 22 22 ALA HA H 22 4.130 5.127 -0.997 1
1 5 . 1 1 1 A 22 22 ALA CA C 22 50.900 51.485 -0.585 1
1 6 . 1 1 1 A 22 22 ALA CB C 22 20.200 20.020 0.180 1
1 7 . 1 1 1 A 23 23 GLU H H 23 7.920 8.497 -0.577 1
1 8 . 1 1 1 A 23 23 GLU HA H 23 4.710 4.796 -0.086 1
1 13 . 1 1 1 A 23 23 GLU CA C 23 54.300 54.837 -0.537 1
1 14 . 1 1 1 A 23 23 GLU CB C 23 32.500 33.900 -1.400 1
1 16 . 1 1 1 A 23 23 GLU N N 23 117.600 121.571 -3.971 1
1 17 . 1 1 1 A 24 24 ILE H H 24 8.870 8.570 0.300 1
1 18 . 1 1 1 A 24 24 ILE HA H 24 4.870 4.607 0.263 1
1 28 . 1 1 1 A 24 24 ILE CA C 24 60.200 61.946 -1.746 1
1 29 . 1 1 1 A 24 24 ILE CB C 24 38.100 37.362 0.738 1
1 33 . 1 1 1 A 24 24 ILE N N 24 123.800 124.618 -0.818 1
1 34 . 1 1 1 A 25 25 MET H H 25 8.720 8.685 0.035 1
1 35 . 1 1 1 A 25 25 MET HA H 25 4.760 4.991 -0.231 1
1 40 . 1 1 1 A 25 25 MET CA C 25 54.300 54.010 0.290 1
1 41 . 1 1 1 A 25 25 MET CB C 25 37.100 35.068 2.032 1
1 43 . 1 1 1 A 25 25 MET N N 25 127.100 128.212 -1.112 1
1 44 . 1 1 1 A 26 26 LYS H H 26 9.190 8.641 0.549 1
1 45 . 1 1 1 A 26 26 LYS HA H 26 4.320 4.224 0.096 1
1 54 . 1 1 1 A 26 26 LYS CA C 26 56.600 57.211 -0.611 1
1 55 . 1 1 1 A 26 26 LYS CB C 26 32.900 32.557 0.343 1
1 59 . 1 1 1 A 26 26 LYS N N 26 123.500 123.566 -0.066 1
1 60 . 1 1 1 A 27 27 LYS H H 27 8.870 9.073 -0.203 1
1 61 . 1 1 1 A 27 27 LYS HA H 27 3.860 3.904 -0.044 1
1 70 . 1 1 1 A 27 27 LYS CA C 27 60.500 59.666 0.834 1
1 71 . 1 1 1 A 27 27 LYS CB C 27 32.400 32.120 0.280 1
1 75 . 1 1 1 A 27 27 LYS N N 27 126.200 125.257 0.943 1
1 76 . 1 1 1 A 28 28 THR H H 28 8.110 8.014 0.096 1
1 77 . 1 1 1 A 28 28 THR HA H 28 4.130 3.919 0.211 1
1 82 . 1 1 1 A 28 28 THR CA C 28 64.600 67.344 -2.744 1
1 83 . 1 1 1 A 28 28 THR CB C 28 68.000 68.580 -0.580 1
1 85 . 1 1 1 A 28 28 THR N N 28 107.100 117.345 -10.245 1
1 86 . 1 1 1 A 29 29 ASP H H 29 6.770 8.259 -1.489 1
1 87 . 1 1 1 A 29 29 ASP HA H 29 4.580 4.335 0.245 1
1 90 . 1 1 1 A 29 29 ASP CA C 29 56.600 57.310 -0.710 1
1 91 . 1 1 1 A 29 29 ASP CB C 29 40.600 40.248 0.352 1
1 92 . 1 1 1 A 29 29 ASP N N 29 119.500 120.397 -0.897 1
1 93 . 1 1 1 A 30 30 PHE H H 30 8.630 9.117 -0.487 1
1 94 . 1 1 1 A 30 30 PHE HA H 30 3.930 3.797 0.133 1
1 102 . 1 1 1 A 30 30 PHE CA C 30 60.800 61.547 -0.747 1
1 103 . 1 1 1 A 30 30 PHE CB C 30 38.900 39.081 -0.181 1
1 107 . 1 1 1 A 30 30 PHE N N 30 123.300 122.170 1.130 1
1 108 . 1 1 1 A 31 31 ASP H H 31 8.650 8.379 0.271 1
1 109 . 1 1 1 A 31 31 ASP HA H 31 4.150 3.821 0.329 1
1 112 . 1 1 1 A 31 31 ASP CA C 31 57.000 57.353 -0.353 1
1 113 . 1 1 1 A 31 31 ASP CB C 31 39.800 41.155 -1.355 1
1 114 . 1 1 1 A 31 31 ASP N N 31 117.000 118.873 -1.873 1
1 115 . 1 1 1 A 32 32 LYS H H 32 6.930 7.467 -0.537 1
1 116 . 1 1 1 A 32 32 LYS HA H 32 4.110 4.110 0.000 1
1 125 . 1 1 1 A 32 32 LYS CA C 32 58.300 58.516 -0.216 1
1 126 . 1 1 1 A 32 32 LYS CB C 32 33.100 32.423 0.677 1
1 130 . 1 1 1 A 32 32 LYS N N 32 114.800 118.812 -4.012 1
1 131 . 1 1 1 A 33 33 VAL H H 33 7.400 8.082 -0.682 1
1 132 . 1 1 1 A 33 33 VAL HA H 33 4.620 4.015 0.605 1
1 140 . 1 1 1 A 33 33 VAL CA C 33 60.100 63.898 -3.798 1
1 141 . 1 1 1 A 33 33 VAL CB C 33 32.300 31.335 0.965 1
1 144 . 1 1 1 A 33 33 VAL N N 33 109.100 116.166 -7.066 1
1 145 . 1 1 1 A 34 34 ALA H H 34 6.710 8.088 -1.378 1
1 146 . 1 1 1 A 34 34 ALA HA H 34 3.010 3.857 -0.847 1
1 150 . 1 1 1 A 34 34 ALA CA C 34 55.100 54.304 0.796 1
1 151 . 1 1 1 A 34 34 ALA CB C 34 19.200 17.810 1.390 1
1 152 . 1 1 1 A 34 34 ALA N N 34 124.300 125.044 -0.744 1
1 153 . 1 1 1 A 35 35 SER H H 35 8.120 8.232 -0.112 1
1 154 . 1 1 1 A 35 35 SER HA H 35 4.320 4.168 0.152 1
1 157 . 1 1 1 A 35 35 SER CA C 35 60.400 61.067 -0.667 1
1 158 . 1 1 1 A 35 35 SER CB C 35 62.400 63.047 -0.647 1
1 159 . 1 1 1 A 35 35 SER N N 35 110.400 112.533 -2.133 1
1 160 . 1 1 1 A 36 36 GLU H H 36 8.300 8.466 -0.166 1
1 161 . 1 1 1 A 36 36 GLU HA H 36 4.270 4.563 -0.293 1
1 166 . 1 1 1 A 36 36 GLU CA C 36 55.700 55.999 -0.299 1
1 167 . 1 1 1 A 36 36 GLU CB C 36 28.900 30.602 -1.702 1
1 169 . 1 1 1 A 36 36 GLU N N 36 119.200 117.668 1.532 1
1 170 . 1 1 1 A 37 37 TYR H H 37 7.920 7.382 0.538 1
1 171 . 1 1 1 A 37 37 TYR HA H 37 5.150 5.211 -0.061 1
1 178 . 1 1 1 A 37 37 TYR CA C 37 57.900 56.483 1.417 1
1 179 . 1 1 1 A 37 37 TYR CB C 37 44.100 42.827 1.273 1
1 182 . 1 1 1 A 37 37 TYR N N 37 117.200 119.418 -2.218 1
1 183 . 1 1 1 A 38 38 THR H H 38 9.480 9.431 0.049 1
1 184 . 1 1 1 A 38 38 THR HA H 38 4.840 5.126 -0.286 1
1 189 . 1 1 1 A 38 38 THR CA C 38 60.400 60.771 -0.371 1
1 190 . 1 1 1 A 38 38 THR CB C 38 71.200 72.246 -1.046 1
1 192 . 1 1 1 A 38 38 THR N N 38 115.400 115.565 -0.165 1
1 193 . 1 1 1 A 39 39 LYS H H 39 9.290 8.956 0.334 1
1 194 . 1 1 1 A 39 39 LYS HA H 39 3.880 4.281 -0.401 1
1 203 . 1 1 1 A 39 39 LYS CA C 39 57.500 55.163 2.337 1
1 204 . 1 1 1 A 39 39 LYS CB C 39 32.300 33.796 -1.496 1
1 208 . 1 1 1 A 39 39 LYS N N 39 130.400 127.534 2.866 1
1 209 . 1 1 1 A 40 40 ILE H H 40 8.820 8.791 0.029 1
1 210 . 1 1 1 A 40 40 ILE HA H 40 4.550 4.625 -0.075 1
1 220 . 1 1 1 A 40 40 ILE CA C 40 60.900 60.757 0.143 1
1 221 . 1 1 1 A 40 40 ILE CB C 40 39.200 38.740 0.460 1
1 225 . 1 1 1 A 40 40 ILE N N 40 121.900 122.810 -0.910 1
1 226 . 1 1 1 A 41 41 GLY H H 41 7.130 7.102 0.028 1
1 227 . 1 1 1 A 41 41 GLY HA2 H 41 3.950 4.023 -0.073 1
1 228 . 1 1 1 A 41 41 GLY HA3 H 41 4.260 4.037 0.223 1
1 229 . 1 1 1 A 41 41 GLY CA C 41 45.100 44.207 0.893 1
1 230 . 1 1 1 A 41 41 GLY N N 41 107.400 109.641 -2.241 1
1 231 . 1 1 1 A 42 42 THR H H 42 8.210 8.194 0.016 1
1 232 . 1 1 1 A 42 42 THR HA H 42 5.230 4.956 0.274 1
1 237 . 1 1 1 A 42 42 THR CA C 42 60.900 61.440 -0.540 1
1 238 . 1 1 1 A 42 42 THR CB C 42 72.300 70.935 1.365 1
1 240 . 1 1 1 A 42 42 THR N N 42 115.100 115.152 -0.052 1
1 241 . 1 1 1 A 43 43 ILE H H 43 9.130 9.440 -0.310 1
1 242 . 1 1 1 A 43 43 ILE HA H 43 4.790 5.049 -0.259 1
1 252 . 1 1 1 A 43 43 ILE CA C 43 59.400 59.157 0.243 1
1 253 . 1 1 1 A 43 43 ILE CB C 43 42.600 41.185 1.415 1
1 257 . 1 1 1 A 43 43 ILE N N 43 118.000 122.769 -4.769 1
1 258 . 1 1 1 A 44 44 SER H H 44 8.330 8.633 -0.303 1
1 259 . 1 1 1 A 44 44 SER HA H 44 5.250 5.261 -0.011 1
1 262 . 1 1 1 A 44 44 SER CA C 44 56.700 57.361 -0.661 1
1 263 . 1 1 1 A 44 44 SER CB C 44 66.000 66.496 -0.496 1
1 264 . 1 1 1 A 44 44 SER N N 44 113.300 116.074 -2.774 1
1 265 . 1 1 1 A 45 45 THR H H 45 8.380 8.773 -0.393 1
1 266 . 1 1 1 A 45 45 THR HA H 45 4.550 5.252 -0.702 1
1 271 . 1 1 1 A 45 45 THR CA C 45 60.900 59.852 1.048 1
1 272 . 1 1 1 A 45 45 THR CB C 45 70.000 71.419 -1.419 1
1 274 . 1 1 1 A 45 45 THR N N 45 113.300 111.761 1.539 1
1 275 . 1 1 1 A 46 46 THR H H 46 8.540 8.748 -0.208 1
1 276 . 1 1 1 A 46 46 THR HA H 46 4.400 5.189 -0.789 1
1 281 . 1 1 1 A 46 46 THR CA C 46 62.000 59.535 2.465 1
1 282 . 1 1 1 A 46 46 THR CB C 46 69.300 72.180 -2.880 1
1 284 . 1 1 1 A 46 46 THR N N 46 117.700 118.371 -0.671 1
1 285 . 1 1 1 A 47 47 GLY H H 47 8.320 8.451 -0.131 1
1 286 . 1 1 1 A 47 47 GLY HA2 H 47 3.890 3.883 0.007 1
1 287 . 1 1 1 A 47 47 GLY HA3 H 47 3.980 3.939 0.041 1
1 288 . 1 1 1 A 47 47 GLY CA C 47 44.800 46.620 -1.820 1
1 289 . 1 1 1 A 47 47 GLY N N 47 111.700 115.010 -3.310 1
1 290 . 1 1 1 A 48 48 GLU H H 48 8.430 8.211 0.219 1
1 291 . 1 1 1 A 48 48 GLU HA H 48 4.390 4.954 -0.564 1
1 296 . 1 1 1 A 48 48 GLU CA C 48 55.600 54.935 0.665 1
1 297 . 1 1 1 A 48 48 GLU CB C 48 29.400 33.238 -3.838 1
1 299 . 1 1 1 A 48 48 GLU N N 48 120.100 120.747 -0.647 1
1 300 . 1 1 1 A 49 49 MET H H 49 8.390 8.410 -0.020 1
1 301 . 1 1 1 A 49 49 MET HA H 49 4.700 5.038 -0.338 1
1 306 . 1 1 1 A 49 49 MET CA C 49 55.000 53.992 1.008 1
1 307 . 1 1 1 A 49 49 MET CB C 49 35.900 37.408 -1.508 1
1 309 . 1 1 1 A 49 49 MET N N 49 120.000 121.152 -1.152 1
1 310 . 1 1 1 A 50 50 SER H H 50 9.020 8.648 0.372 1
1 311 . 1 1 1 A 50 50 SER HA H 50 4.780 4.830 -0.050 1
1 314 . 1 1 1 A 50 50 SER CA C 50 57.700 54.956 2.744 1
1 315 . 1 1 1 A 50 50 SER CB C 50 62.600 63.600 -1.000 1
1 316 . 1 1 1 A 50 50 SER N N 50 117.900 116.635 1.265 1
1 317 . 1 1 1 A 51 51 PRO HA H 51 4.240 4.298 -0.058 1
1 324 . 1 1 1 A 51 51 PRO CA C 51 66.000 65.925 0.075 1
1 325 . 1 1 1 A 51 51 PRO CB C 51 31.800 31.673 0.127 1
1 328 . 1 1 1 A 52 52 LEU H H 52 8.160 8.481 -0.321 1
1 329 . 1 1 1 A 52 52 LEU HA H 52 4.110 4.106 0.004 1
1 339 . 1 1 1 A 52 52 LEU CA C 52 57.900 56.944 0.956 1
1 340 . 1 1 1 A 52 52 LEU CB C 52 41.400 41.125 0.275 1
1 344 . 1 1 1 A 52 52 LEU N N 52 117.600 116.303 1.297 1
1 345 . 1 1 1 A 53 53 ASP H H 53 7.510 8.326 -0.816 1
1 346 . 1 1 1 A 53 53 ASP HA H 53 4.420 4.327 0.093 1
1 349 . 1 1 1 A 53 53 ASP CA C 53 56.600 57.844 -1.244 1
1 350 . 1 1 1 A 53 53 ASP CB C 53 39.800 41.070 -1.270 1
1 351 . 1 1 1 A 53 53 ASP N N 53 119.900 119.813 0.087 1
1 352 . 1 1 1 A 54 54 ALA H H 54 8.800 8.453 0.347 1
1 353 . 1 1 1 A 54 54 ALA HA H 54 4.210 4.067 0.143 1
1 357 . 1 1 1 A 54 54 ALA CA C 54 54.700 55.089 -0.389 1
1 358 . 1 1 1 A 54 54 ALA CB C 54 18.200 18.177 0.023 1
1 359 . 1 1 1 A 54 54 ALA N N 54 123.400 121.442 1.958 1
1 360 . 1 1 1 A 55 55 ARG H H 55 7.860 8.111 -0.251 1
1 361 . 1 1 1 A 55 55 ARG HA H 55 3.730 3.960 -0.230 1
1 368 . 1 1 1 A 55 55 ARG CA C 55 60.200 59.865 0.335 1
1 369 . 1 1 1 A 55 55 ARG CB C 55 30.100 30.070 0.030 1
1 372 . 1 1 1 A 55 55 ARG N N 55 117.100 117.638 -0.538 1
1 373 . 1 1 1 A 56 56 GLU H H 56 7.630 8.571 -0.941 1
1 374 . 1 1 1 A 56 56 GLU HA H 56 4.000 4.008 -0.008 1
1 379 . 1 1 1 A 56 56 GLU CA C 56 58.800 59.621 -0.821 1
1 380 . 1 1 1 A 56 56 GLU CB C 56 28.300 29.016 -0.716 1
1 382 . 1 1 1 A 56 56 GLU N N 56 115.900 119.665 -3.765 1
1 383 . 1 1 1 A 57 57 ASP H H 57 8.120 8.086 0.034 1
1 384 . 1 1 1 A 57 57 ASP HA H 57 4.380 4.372 0.008 1
1 387 . 1 1 1 A 57 57 ASP CA C 57 57.400 56.131 1.269 1
1 388 . 1 1 1 A 57 57 ASP CB C 57 42.500 41.042 1.458 1
1 389 . 1 1 1 A 57 57 ASP N N 57 120.200 119.566 0.634 1
1 390 . 1 1 1 A 58 58 LEU H H 58 8.160 8.225 -0.065 1
1 391 . 1 1 1 A 58 58 LEU HA H 58 3.860 4.056 -0.196 1
1 401 . 1 1 1 A 58 58 LEU CA C 58 57.500 57.914 -0.414 1
1 402 . 1 1 1 A 58 58 LEU CB C 58 41.400 41.958 -0.558 1
1 406 . 1 1 1 A 58 58 LEU N N 58 117.300 119.655 -2.355 1
1 407 . 1 1 1 A 59 59 ILE H H 59 8.020 8.688 -0.668 1
1 408 . 1 1 1 A 59 59 ILE HA H 59 3.300 3.463 -0.163 1
1 418 . 1 1 1 A 59 59 ILE CA C 59 65.700 66.096 -0.396 1
1 419 . 1 1 1 A 59 59 ILE CB C 59 37.500 38.163 -0.663 1
1 423 . 1 1 1 A 59 59 ILE N N 59 118.600 119.559 -0.959 1
1 424 . 1 1 1 A 60 60 LYS H H 60 7.890 8.221 -0.331 1
1 425 . 1 1 1 A 60 60 LYS HA H 60 4.090 4.030 0.060 1
1 434 . 1 1 1 A 60 60 LYS CA C 60 59.800 59.056 0.744 1
1 435 . 1 1 1 A 60 60 LYS CB C 60 31.900 31.988 -0.088 1
1 439 . 1 1 1 A 60 60 LYS N N 60 119.400 120.486 -1.086 1
1 440 . 1 1 1 A 61 61 LYS H H 61 8.080 7.934 0.146 1
1 441 . 1 1 1 A 61 61 LYS HA H 61 3.980 4.134 -0.154 1
1 450 . 1 1 1 A 61 61 LYS CA C 61 59.200 58.841 0.359 1
1 451 . 1 1 1 A 61 61 LYS CB C 61 33.500 32.285 1.215 1
1 455 . 1 1 1 A 61 61 LYS N N 61 119.200 119.855 -0.655 1
1 456 . 1 1 1 A 62 62 ALA H H 62 8.490 8.324 0.166 1
1 457 . 1 1 1 A 62 62 ALA HA H 62 3.770 4.067 -0.297 1
1 461 . 1 1 1 A 62 62 ALA CA C 62 54.900 55.260 -0.360 1
1 462 . 1 1 1 A 62 62 ALA CB C 62 19.100 18.287 0.813 1
1 463 . 1 1 1 A 62 62 ALA N N 62 122.200 121.184 1.016 1
1 464 . 1 1 1 A 63 63 ASP H H 63 8.850 8.259 0.591 1
1 465 . 1 1 1 A 63 63 ASP HA H 63 4.590 4.382 0.208 1
1 468 . 1 1 1 A 63 63 ASP CA C 63 56.900 57.440 -0.540 1
1 469 . 1 1 1 A 63 63 ASP CB C 63 39.000 41.389 -2.389 1
1 470 . 1 1 1 A 63 63 ASP N N 63 120.200 118.288 1.912 1
1 471 . 1 1 1 A 64 64 GLU H H 64 8.050 8.507 -0.457 1
1 472 . 1 1 1 A 64 64 GLU HA H 64 4.070 4.119 -0.049 1
1 477 . 1 1 1 A 64 64 GLU CA C 64 58.800 59.221 -0.421 1
1 478 . 1 1 1 A 64 64 GLU CB C 64 29.000 29.377 -0.377 1
1 480 . 1 1 1 A 64 64 GLU N N 64 121.300 119.435 1.865 1
1 481 . 1 1 1 A 65 65 LYS H H 65 7.180 7.529 -0.349 1
1 482 . 1 1 1 A 65 65 LYS HA H 65 4.310 4.346 -0.036 1
1 491 . 1 1 1 A 65 65 LYS CA C 65 54.800 55.947 -1.147 1
1 492 . 1 1 1 A 65 65 LYS CB C 65 33.000 32.581 0.419 1
1 496 . 1 1 1 A 65 65 LYS N N 65 115.600 117.229 -1.629 1
1 497 . 1 1 1 A 66 66 GLY H H 66 7.870 7.976 -0.106 1
1 498 . 1 1 1 A 66 66 GLY HA2 H 66 3.860 3.985 -0.125 1
1 499 . 1 1 1 A 66 66 GLY HA3 H 66 3.980 3.992 -0.012 1
1 500 . 1 1 1 A 66 66 GLY CA C 66 45.700 46.510 -0.810 1
1 501 . 1 1 1 A 66 66 GLY N N 66 107.500 108.073 -0.573 1
1 502 . 1 1 1 A 67 67 ALA H H 67 7.920 7.933 -0.013 1
1 503 . 1 1 1 A 67 67 ALA HA H 67 4.020 4.746 -0.726 1
1 507 . 1 1 1 A 67 67 ALA CA C 67 51.700 50.461 1.239 1
1 508 . 1 1 1 A 67 67 ALA CB C 67 21.100 22.000 -0.900 1
1 509 . 1 1 1 A 67 67 ALA N N 67 118.900 122.454 -3.554 1
1 510 . 1 1 1 A 68 68 ASP H H 68 8.790 9.158 -0.368 1
1 511 . 1 1 1 A 68 68 ASP HA H 68 5.070 5.014 0.056 1
1 514 . 1 1 1 A 68 68 ASP CA C 68 56.500 55.824 0.676 1
1 515 . 1 1 1 A 68 68 ASP CB C 68 44.900 43.131 1.769 1
1 516 . 1 1 1 A 68 68 ASP N N 68 116.500 119.367 -2.867 1
1 517 . 1 1 1 A 69 69 VAL H H 69 8.070 8.171 -0.101 1
1 518 . 1 1 1 A 69 69 VAL HA H 69 5.130 4.967 0.163 1
1 526 . 1 1 1 A 69 69 VAL CA C 69 60.300 60.605 -0.305 1
1 527 . 1 1 1 A 69 69 VAL CB C 69 37.400 35.384 2.016 1
1 530 . 1 1 1 A 69 69 VAL N N 69 118.400 118.198 0.202 1
1 531 . 1 1 1 A 70 70 VAL H H 70 8.720 9.128 -0.408 1
1 532 . 1 1 1 A 70 70 VAL HA H 70 4.550 4.990 -0.440 1
1 540 . 1 1 1 A 70 70 VAL CA C 70 59.800 59.359 0.441 1
1 541 . 1 1 1 A 70 70 VAL CB C 70 34.200 34.867 -0.667 1
1 544 . 1 1 1 A 70 70 VAL N N 70 127.300 121.587 5.713 1
1 545 . 1 1 1 A 71 71 VAL H H 71 8.890 8.595 0.295 1
1 546 . 1 1 1 A 71 71 VAL HA H 71 4.550 4.457 0.093 1
1 554 . 1 1 1 A 71 71 VAL CA C 71 60.800 60.286 0.514 1
1 555 . 1 1 1 A 71 71 VAL CB C 71 34.000 34.908 -0.908 1
1 558 . 1 1 1 A 71 71 VAL N N 71 126.700 122.248 4.452 1
1 559 . 1 1 1 A 72 72 LEU H H 72 8.800 8.670 0.130 1
1 560 . 1 1 1 A 72 72 LEU HA H 72 4.440 4.365 0.075 1
1 570 . 1 1 1 A 72 72 LEU CA C 72 55.700 54.331 1.369 1
1 571 . 1 1 1 A 72 72 LEU CB C 72 41.500 40.708 0.792 1
1 575 . 1 1 1 A 72 72 LEU N N 72 127.400 127.299 0.101 1
1 576 . 1 1 1 A 73 73 THR H H 73 8.630 8.676 -0.046 1
1 577 . 1 1 1 A 73 73 THR HA H 73 4.430 4.137 0.293 1
1 582 . 1 1 1 A 73 73 THR CA C 73 61.500 64.188 -2.688 1
1 583 . 1 1 1 A 73 73 THR CB C 73 69.400 69.095 0.305 1
1 585 . 1 1 1 A 73 73 THR N N 73 114.000 121.465 -7.465 1
1 586 . 1 1 1 A 74 74 SER H H 74 8.130 8.150 -0.020 1
1 587 . 1 1 1 A 74 74 SER HA H 74 4.540 4.778 -0.238 1
1 590 . 1 1 1 A 74 74 SER CA C 74 58.000 57.419 0.581 1
1 591 . 1 1 1 A 74 74 SER CB C 74 63.800 67.174 -3.374 1
1 592 . 1 1 1 A 74 74 SER N N 74 116.000 112.541 3.459 1
1 593 . 1 1 1 A 75 75 GLY H H 75 8.570 8.611 -0.041 1
1 594 . 1 1 1 A 75 75 GLY HA2 H 75 4.040 3.991 0.049 1
1 595 . 1 1 1 A 75 75 GLY HA3 H 75 4.040 3.993 0.047 1
1 596 . 1 1 1 A 75 75 GLY CA C 75 45.100 45.351 -0.251 1
1 597 . 1 1 1 A 75 75 GLY N N 75 109.800 111.066 -1.266 1
1 598 . 1 1 1 A 76 76 GLN H H 76 8.390 7.938 0.452 1
1 599 . 1 1 1 A 76 76 GLN HA H 76 4.490 4.446 0.044 1
1 606 . 1 1 1 A 76 76 GLN CA C 76 55.900 55.281 0.619 1
1 607 . 1 1 1 A 76 76 GLN CB C 76 29.600 29.021 0.579 1
1 609 . 1 1 1 A 76 76 GLN N N 76 119.200 120.978 -1.778 1
1 611 . 1 1 1 A 77 77 THR H H 77 8.100 7.953 0.147 1
1 612 . 1 1 1 A 77 77 THR HA H 77 4.420 4.093 0.327 1
1 617 . 1 1 1 A 77 77 THR CA C 77 61.300 64.677 -3.377 1
1 618 . 1 1 1 A 77 77 THR CB C 77 69.700 69.179 0.521 1
1 620 . 1 1 1 A 77 77 THR N N 77 113.000 115.082 -2.082 1
1 621 . 1 1 1 A 78 78 GLU H H 78 8.450 7.672 0.778 1
1 622 . 1 1 1 A 78 78 GLU HA H 78 4.250 4.454 -0.204 1
1 627 . 1 1 1 A 78 78 GLU CA C 78 56.900 57.597 -0.697 1
1 628 . 1 1 1 A 78 78 GLU CB C 78 29.500 30.531 -1.031 1
1 630 . 1 1 1 A 78 78 GLU N N 78 120.700 116.047 4.653 1
1 631 . 1 1 1 A 79 79 ASN H H 79 8.320 8.318 0.002 1
1 632 . 1 1 1 A 79 79 ASN HA H 79 4.600 5.305 -0.705 1
1 637 . 1 1 1 A 79 79 ASN CA C 79 53.700 54.837 -1.137 1
1 638 . 1 1 1 A 79 79 ASN CB C 79 38.600 39.558 -0.958 1
1 639 . 1 1 1 A 79 79 ASN N N 79 117.000 118.352 -1.352 1
1 641 . 1 1 1 A 80 80 LYS H H 80 7.910 8.247 -0.337 1
1 642 . 1 1 1 A 80 80 LYS HA H 80 4.300 4.157 0.143 1
1 651 . 1 1 1 A 80 80 LYS CA C 80 56.000 56.572 -0.572 1
1 652 . 1 1 1 A 80 80 LYS CB C 80 33.300 31.882 1.418 1
1 656 . 1 1 1 A 80 80 LYS N N 80 118.800 115.488 3.312 1
1 657 . 1 1 1 A 81 81 ILE H H 81 8.340 7.676 0.664 1
1 658 . 1 1 1 A 81 81 ILE HA H 81 4.300 4.485 -0.185 1
1 668 . 1 1 1 A 81 81 ILE CA C 81 60.500 60.416 0.084 1
1 669 . 1 1 1 A 81 81 ILE CB C 81 39.800 38.481 1.319 1
1 673 . 1 1 1 A 81 81 ILE N N 81 119.600 117.293 2.307 1
1 674 . 1 1 1 A 82 82 HIS H H 82 8.470 8.793 -0.323 1
1 675 . 1 1 1 A 82 82 HIS HA H 82 4.780 5.194 -0.414 1
1 680 . 1 1 1 A 82 82 HIS CA C 82 54.700 53.871 0.829 1
1 681 . 1 1 1 A 82 82 HIS CB C 82 28.900 28.532 0.368 1
1 684 . 1 1 1 A 82 82 HIS N N 82 121.600 125.558 -3.958 1
1 685 . 1 1 1 A 83 83 GLY H H 83 8.340 8.301 0.039 1
1 686 . 1 1 1 A 83 83 GLY HA2 H 83 3.690 4.035 -0.345 1
1 687 . 1 1 1 A 83 83 GLY HA3 H 83 4.190 4.054 0.136 1
1 688 . 1 1 1 A 83 83 GLY CA C 83 45.000 44.383 0.617 1
1 689 . 1 1 1 A 83 83 GLY N N 83 111.600 108.928 2.672 1
1 690 . 1 1 1 A 84 84 THR H H 84 8.120 8.544 -0.424 1
1 691 . 1 1 1 A 84 84 THR HA H 84 5.030 5.457 -0.427 1
1 696 . 1 1 1 A 84 84 THR CA C 84 60.100 60.060 0.040 1
1 697 . 1 1 1 A 84 84 THR CB C 84 72.000 71.417 0.583 1
1 699 . 1 1 1 A 84 84 THR N N 84 112.300 111.102 1.198 1
1 700 . 1 1 1 A 85 85 ALA H H 85 8.840 9.471 -0.631 1
1 701 . 1 1 1 A 85 85 ALA HA H 85 4.950 5.250 -0.300 1
1 705 . 1 1 1 A 85 85 ALA CA C 85 51.200 49.964 1.236 1
1 706 . 1 1 1 A 85 85 ALA CB C 85 23.800 21.837 1.963 1
1 707 . 1 1 1 A 85 85 ALA N N 85 122.500 125.525 -3.025 1
1 708 . 1 1 1 A 86 86 ASP H H 86 8.510 8.939 -0.429 1
1 709 . 1 1 1 A 86 86 ASP HA H 86 5.200 5.356 -0.156 1
1 712 . 1 1 1 A 86 86 ASP CA C 86 53.400 53.015 0.385 1
1 713 . 1 1 1 A 86 86 ASP CB C 86 43.100 44.289 -1.189 1
1 714 . 1 1 1 A 86 86 ASP N N 86 121.400 123.334 -1.934 1
1 715 . 1 1 1 A 87 87 ILE H H 87 7.970 9.029 -1.059 1
1 716 . 1 1 1 A 87 87 ILE HA H 87 5.370 5.246 0.124 1
1 726 . 1 1 1 A 87 87 ILE CA C 87 58.200 59.356 -1.156 1
1 727 . 1 1 1 A 87 87 ILE CB C 87 41.200 41.042 0.158 1
1 731 . 1 1 1 A 87 87 ILE N N 87 111.200 120.306 -9.106 1
1 732 . 1 1 1 A 88 88 TYR H H 88 8.750 9.859 -1.109 1
1 733 . 1 1 1 A 88 88 TYR HA H 88 5.440 5.506 -0.066 1
1 740 . 1 1 1 A 88 88 TYR CA C 88 56.900 56.359 0.541 1
1 741 . 1 1 1 A 88 88 TYR CB C 88 44.000 43.555 0.445 1
1 744 . 1 1 1 A 88 88 TYR N N 88 118.000 121.473 -3.473 1
1 745 . 1 1 1 A 89 89 LYS H H 89 9.590 9.675 -0.085 1
1 746 . 1 1 1 A 89 89 LYS HA H 89 5.170 5.152 0.018 1
1 755 . 1 1 1 A 89 89 LYS CA C 89 54.400 54.232 0.168 1
1 756 . 1 1 1 A 89 89 LYS CB C 89 36.800 36.018 0.782 1
1 760 . 1 1 1 A 89 89 LYS N N 89 123.500 123.288 0.212 1
1 761 . 1 1 1 A 90 90 LYS H H 90 10.190 8.155 2.035 1
1 762 . 1 1 1 A 90 90 LYS HA H 90 3.810 3.155 0.655 1
1 771 . 1 1 1 A 90 90 LYS CA C 90 57.500 55.876 1.624 1
1 772 . 1 1 1 A 90 90 LYS CB C 90 32.700 32.763 -0.063 1
1 776 . 1 1 1 A 90 90 LYS N N 90 129.200 127.657 1.543 1
1 777 . 1 1 1 A 91 91 LYS H H 91 8.450 8.122 0.328 1
1 778 . 1 1 1 A 91 91 LYS HA H 91 4.100 4.433 -0.333 1
1 787 . 1 1 1 A 91 91 LYS CA C 91 57.300 55.551 1.749 1
1 788 . 1 1 1 A 91 91 LYS CB C 91 33.100 33.610 -0.510 1
1 792 . 1 1 1 A 91 91 LYS N N 91 125.900 125.756 0.144 1
1 793 . 1 1 1 A 92 92 LEU H H 92 8.270 8.516 -0.246 1
1 794 . 1 1 1 A 92 92 LEU HA H 92 4.280 4.460 -0.180 1
1 804 . 1 1 1 A 92 92 LEU CA C 92 54.600 55.018 -0.418 1
1 805 . 1 1 1 A 92 92 LEU CB C 92 42.100 42.400 -0.300 1
1 809 . 1 1 1 A 92 92 LEU N N 92 123.200 120.747 2.453 1
1 810 . 1 1 1 A 93 93 GLU H H 93 8.310 7.694 0.616 1
1 811 . 1 1 1 A 93 93 GLU HA H 93 4.220 4.775 -0.555 1
1 816 . 1 1 1 A 93 93 GLU CA C 93 55.700 54.484 1.216 1
1 817 . 1 1 1 A 93 93 GLU CB C 93 30.200 33.527 -3.327 1
1 819 . 1 1 1 A 93 93 GLU N N 93 122.000 117.720 4.280 1
1 820 . 1 1 1 A 94 94 HIS H H 94 8.570 8.666 -0.096 1
1 821 . 1 1 1 A 94 94 HIS HA H 94 4.630 5.021 -0.391 1
1 826 . 1 1 1 A 94 94 HIS CA C 94 55.000 54.788 0.212 1
1 827 . 1 1 1 A 94 94 HIS CB C 94 28.900 31.619 -2.719 1
1 830 . 1 1 1 A 94 94 HIS N N 94 119.700 117.474 2.226 1
1 831 . 1 1 1 A 95 95 HIS H H 95 8.610 9.257 -0.647 1
1 832 . 1 1 1 A 95 95 HIS HA H 95 4.650 4.210 0.440 1
1 837 . 1 1 1 A 95 95 HIS CA C 95 55.200 57.433 -2.233 1
1 838 . 1 1 1 A 95 95 HIS CB C 95 28.900 29.655 -0.755 1
1 841 . 1 1 1 A 95 95 HIS N N 95 119.300 119.845 -0.545 1
1 842 . 1 1 1 A 96 96 HIS H H 96 8.680 8.563 0.117 1
1 843 . 1 1 1 A 96 96 HIS HA H 96 4.660 4.238 0.422 1
1 848 . 1 1 1 A 96 96 HIS CA C 96 55.200 58.326 -3.126 1
1 849 . 1 1 1 A 96 96 HIS CB C 96 29.100 28.387 0.713 1
1 852 . 1 1 1 A 96 96 HIS N N 96 120.100 118.509 1.591 1
1 853 . 1 1 1 A 97 97 HIS H H 97 8.580 8.434 0.146 1
1 854 . 1 1 1 A 97 97 HIS HA H 97 4.660 5.420 -0.760 1
1 859 . 1 1 1 A 97 97 HIS CA C 97 55.400 53.820 1.580 1
1 860 . 1 1 1 A 97 97 HIS CB C 97 29.200 30.355 -1.155 1
1 863 . 1 1 1 A 97 97 HIS N N 97 120.400 116.753 3.647 1
1 864 . 1 1 1 A 98 98 HIS H H 98 8.390 8.761 -0.371 1
1 865 . 1 1 1 A 98 98 HIS HA H 98 4.620 4.908 -0.288 1
1 870 . 1 1 1 A 98 98 HIS CA C 98 55.500 56.263 -0.763 1
1 871 . 1 1 1 A 98 98 HIS CB C 98 29.100 32.967 -3.867 1
1 1 . 2 1 1 A 22 22 ALA HA H 22 4.130 4.277 -0.147 1
1 5 . 2 1 1 A 22 22 ALA CA C 22 50.900 53.069 -2.169 1
1 6 . 2 1 1 A 22 22 ALA CB C 22 20.200 19.241 0.959 1
1 7 . 2 1 1 A 23 23 GLU H H 23 7.920 8.861 -0.941 1
1 8 . 2 1 1 A 23 23 GLU HA H 23 4.710 5.052 -0.342 1
1 13 . 2 1 1 A 23 23 GLU CA C 23 54.300 54.683 -0.383 1
1 14 . 2 1 1 A 23 23 GLU CB C 23 32.500 33.547 -1.047 1
1 16 . 2 1 1 A 23 23 GLU N N 23 117.600 122.975 -5.375 1
1 17 . 2 1 1 A 24 24 ILE H H 24 8.870 8.558 0.312 1
1 18 . 2 1 1 A 24 24 ILE HA H 24 4.870 4.438 0.432 1
1 28 . 2 1 1 A 24 24 ILE CA C 24 60.200 60.906 -0.706 1
1 29 . 2 1 1 A 24 24 ILE CB C 24 38.100 37.949 0.151 1
1 33 . 2 1 1 A 24 24 ILE N N 24 123.800 126.950 -3.150 1
1 34 . 2 1 1 A 25 25 MET H H 25 8.720 8.718 0.002 1
1 35 . 2 1 1 A 25 25 MET HA H 25 4.760 5.053 -0.293 1
1 40 . 2 1 1 A 25 25 MET CA C 25 54.300 53.708 0.592 1
1 41 . 2 1 1 A 25 25 MET CB C 25 37.100 34.826 2.274 1
1 43 . 2 1 1 A 25 25 MET N N 25 127.100 125.462 1.638 1
1 44 . 2 1 1 A 26 26 LYS H H 26 9.190 8.790 0.400 1
1 45 . 2 1 1 A 26 26 LYS HA H 26 4.320 4.428 -0.108 1
1 54 . 2 1 1 A 26 26 LYS CA C 26 56.600 55.659 0.941 1
1 55 . 2 1 1 A 26 26 LYS CB C 26 32.900 33.333 -0.433 1
1 59 . 2 1 1 A 26 26 LYS N N 26 123.500 121.065 2.435 1
1 60 . 2 1 1 A 27 27 LYS H H 27 8.870 8.960 -0.090 1
1 61 . 2 1 1 A 27 27 LYS HA H 27 3.860 4.006 -0.146 1
1 70 . 2 1 1 A 27 27 LYS CA C 27 60.500 59.086 1.414 1
1 71 . 2 1 1 A 27 27 LYS CB C 27 32.400 32.096 0.304 1
1 75 . 2 1 1 A 27 27 LYS N N 27 126.200 124.096 2.104 1
1 76 . 2 1 1 A 28 28 THR H H 28 8.110 8.153 -0.043 1
1 77 . 2 1 1 A 28 28 THR HA H 28 4.130 4.041 0.089 1
1 82 . 2 1 1 A 28 28 THR CA C 28 64.600 65.895 -1.295 1
1 83 . 2 1 1 A 28 28 THR CB C 28 68.000 68.312 -0.312 1
1 85 . 2 1 1 A 28 28 THR N N 28 107.100 114.598 -7.498 1
1 86 . 2 1 1 A 29 29 ASP H H 29 6.770 8.280 -1.510 1
1 87 . 2 1 1 A 29 29 ASP HA H 29 4.580 4.308 0.272 1
1 90 . 2 1 1 A 29 29 ASP CA C 29 56.600 57.360 -0.760 1
1 91 . 2 1 1 A 29 29 ASP CB C 29 40.600 40.636 -0.036 1
1 92 . 2 1 1 A 29 29 ASP N N 29 119.500 123.148 -3.648 1
1 93 . 2 1 1 A 30 30 PHE H H 30 8.630 8.788 -0.158 1
1 94 . 2 1 1 A 30 30 PHE HA H 30 3.930 3.970 -0.040 1
1 102 . 2 1 1 A 30 30 PHE CA C 30 60.800 60.132 0.668 1
1 103 . 2 1 1 A 30 30 PHE CB C 30 38.900 39.079 -0.179 1
1 107 . 2 1 1 A 30 30 PHE N N 30 123.300 122.006 1.294 1
1 108 . 2 1 1 A 31 31 ASP H H 31 8.650 8.157 0.493 1
1 109 . 2 1 1 A 31 31 ASP HA H 31 4.150 4.053 0.097 1
1 112 . 2 1 1 A 31 31 ASP CA C 31 57.000 57.265 -0.265 1
1 113 . 2 1 1 A 31 31 ASP CB C 31 39.800 41.275 -1.475 1
1 114 . 2 1 1 A 31 31 ASP N N 31 117.000 118.622 -1.622 1
1 115 . 2 1 1 A 32 32 LYS H H 32 6.930 7.513 -0.583 1
1 116 . 2 1 1 A 32 32 LYS HA H 32 4.110 4.070 0.040 1
1 125 . 2 1 1 A 32 32 LYS CA C 32 58.300 58.614 -0.314 1
1 126 . 2 1 1 A 32 32 LYS CB C 32 33.100 32.577 0.523 1
1 130 . 2 1 1 A 32 32 LYS N N 32 114.800 118.922 -4.122 1
1 131 . 2 1 1 A 33 33 VAL H H 33 7.400 7.918 -0.518 1
1 132 . 2 1 1 A 33 33 VAL HA H 33 4.620 3.724 0.896 1
1 140 . 2 1 1 A 33 33 VAL CA C 33 60.100 64.024 -3.924 1
1 141 . 2 1 1 A 33 33 VAL CB C 33 32.300 30.863 1.437 1
1 144 . 2 1 1 A 33 33 VAL N N 33 109.100 114.825 -5.725 1
1 145 . 2 1 1 A 34 34 ALA H H 34 6.710 8.305 -1.595 1
1 146 . 2 1 1 A 34 34 ALA HA H 34 3.010 3.510 -0.500 1
1 150 . 2 1 1 A 34 34 ALA CA C 34 55.100 54.493 0.607 1
1 151 . 2 1 1 A 34 34 ALA CB C 34 19.200 17.555 1.645 1
1 152 . 2 1 1 A 34 34 ALA N N 34 124.300 124.376 -0.076 1
1 153 . 2 1 1 A 35 35 SER H H 35 8.120 7.938 0.182 1
1 154 . 2 1 1 A 35 35 SER HA H 35 4.320 4.015 0.305 1
1 157 . 2 1 1 A 35 35 SER CA C 35 60.400 61.234 -0.834 1
1 158 . 2 1 1 A 35 35 SER CB C 35 62.400 62.928 -0.528 1
1 159 . 2 1 1 A 35 35 SER N N 35 110.400 113.147 -2.747 1
1 160 . 2 1 1 A 36 36 GLU H H 36 8.300 7.818 0.482 1
1 161 . 2 1 1 A 36 36 GLU HA H 36 4.270 4.485 -0.215 1
1 166 . 2 1 1 A 36 36 GLU CA C 36 55.700 56.263 -0.563 1
1 167 . 2 1 1 A 36 36 GLU CB C 36 28.900 30.187 -1.287 1
1 169 . 2 1 1 A 36 36 GLU N N 36 119.200 117.590 1.610 1
1 170 . 2 1 1 A 37 37 TYR H H 37 7.920 7.433 0.487 1
1 171 . 2 1 1 A 37 37 TYR HA H 37 5.150 5.327 -0.177 1
1 178 . 2 1 1 A 37 37 TYR CA C 37 57.900 56.453 1.447 1
1 179 . 2 1 1 A 37 37 TYR CB C 37 44.100 42.700 1.400 1
1 182 . 2 1 1 A 37 37 TYR N N 37 117.200 119.279 -2.079 1
1 183 . 2 1 1 A 38 38 THR H H 38 9.480 9.360 0.120 1
1 184 . 2 1 1 A 38 38 THR HA H 38 4.840 5.110 -0.270 1
1 189 . 2 1 1 A 38 38 THR CA C 38 60.400 61.377 -0.977 1
1 190 . 2 1 1 A 38 38 THR CB C 38 71.200 72.002 -0.802 1
1 192 . 2 1 1 A 38 38 THR N N 38 115.400 116.256 -0.856 1
1 193 . 2 1 1 A 39 39 LYS H H 39 9.290 8.948 0.342 1
1 194 . 2 1 1 A 39 39 LYS HA H 39 3.880 3.799 0.081 1
1 203 . 2 1 1 A 39 39 LYS CA C 39 57.500 57.254 0.246 1
1 204 . 2 1 1 A 39 39 LYS CB C 39 32.300 32.494 -0.194 1
1 208 . 2 1 1 A 39 39 LYS N N 39 130.400 129.304 1.096 1
1 209 . 2 1 1 A 40 40 ILE H H 40 8.820 8.308 0.512 1
1 210 . 2 1 1 A 40 40 ILE HA H 40 4.550 4.563 -0.013 1
1 220 . 2 1 1 A 40 40 ILE CA C 40 60.900 60.150 0.750 1
1 221 . 2 1 1 A 40 40 ILE CB C 40 39.200 38.557 0.643 1
1 225 . 2 1 1 A 40 40 ILE N N 40 121.900 122.403 -0.503 1
1 226 . 2 1 1 A 41 41 GLY H H 41 7.130 7.098 0.032 1
1 227 . 2 1 1 A 41 41 GLY HA2 H 41 3.950 3.991 -0.041 1
1 228 . 2 1 1 A 41 41 GLY HA3 H 41 4.260 4.005 0.255 1
1 229 . 2 1 1 A 41 41 GLY CA C 41 45.100 43.956 1.144 1
1 230 . 2 1 1 A 41 41 GLY N N 41 107.400 109.922 -2.522 1
1 231 . 2 1 1 A 42 42 THR H H 42 8.210 8.201 0.009 1
1 232 . 2 1 1 A 42 42 THR HA H 42 5.230 4.983 0.247 1
1 237 . 2 1 1 A 42 42 THR CA C 42 60.900 61.441 -0.541 1
1 238 . 2 1 1 A 42 42 THR CB C 42 72.300 71.019 1.281 1
1 240 . 2 1 1 A 42 42 THR N N 42 115.100 115.188 -0.088 1
1 241 . 2 1 1 A 43 43 ILE H H 43 9.130 9.357 -0.227 1
1 242 . 2 1 1 A 43 43 ILE HA H 43 4.790 5.018 -0.228 1
1 252 . 2 1 1 A 43 43 ILE CA C 43 59.400 59.074 0.326 1
1 253 . 2 1 1 A 43 43 ILE CB C 43 42.600 41.267 1.333 1
1 257 . 2 1 1 A 43 43 ILE N N 43 118.000 120.070 -2.070 1
1 258 . 2 1 1 A 44 44 SER H H 44 8.330 8.795 -0.465 1
1 259 . 2 1 1 A 44 44 SER HA H 44 5.250 5.111 0.139 1
1 262 . 2 1 1 A 44 44 SER CA C 44 56.700 57.052 -0.352 1
1 263 . 2 1 1 A 44 44 SER CB C 44 66.000 65.078 0.922 1
1 264 . 2 1 1 A 44 44 SER N N 44 113.300 117.430 -4.130 1
1 265 . 2 1 1 A 45 45 THR H H 45 8.380 8.476 -0.096 1
1 266 . 2 1 1 A 45 45 THR HA H 45 4.550 5.315 -0.765 1
1 271 . 2 1 1 A 45 45 THR CA C 45 60.900 59.810 1.090 1
1 272 . 2 1 1 A 45 45 THR CB C 45 70.000 72.057 -2.057 1
1 274 . 2 1 1 A 45 45 THR N N 45 113.300 113.379 -0.079 1
1 275 . 2 1 1 A 46 46 THR H H 46 8.540 8.640 -0.100 1
1 276 . 2 1 1 A 46 46 THR HA H 46 4.400 4.771 -0.371 1
1 281 . 2 1 1 A 46 46 THR CA C 46 62.000 60.501 1.499 1
1 282 . 2 1 1 A 46 46 THR CB C 46 69.300 70.122 -0.822 1
1 284 . 2 1 1 A 46 46 THR N N 46 117.700 115.423 2.277 1
1 285 . 2 1 1 A 47 47 GLY H H 47 8.320 8.271 0.049 1
1 286 . 2 1 1 A 47 47 GLY HA2 H 47 3.890 4.136 -0.246 1
1 287 . 2 1 1 A 47 47 GLY HA3 H 47 3.980 4.151 -0.171 1
1 288 . 2 1 1 A 47 47 GLY CA C 47 44.800 45.527 -0.727 1
1 289 . 2 1 1 A 47 47 GLY N N 47 111.700 111.725 -0.025 1
1 290 . 2 1 1 A 48 48 GLU H H 48 8.430 8.580 -0.150 1
1 291 . 2 1 1 A 48 48 GLU HA H 48 4.390 4.570 -0.180 1
1 296 . 2 1 1 A 48 48 GLU CA C 48 55.600 55.645 -0.045 1
1 297 . 2 1 1 A 48 48 GLU CB C 48 29.400 30.128 -0.728 1
1 299 . 2 1 1 A 48 48 GLU N N 48 120.100 122.440 -2.340 1
1 300 . 2 1 1 A 49 49 MET H H 49 8.390 7.552 0.838 1
1 301 . 2 1 1 A 49 49 MET HA H 49 4.700 4.827 -0.127 1
1 306 . 2 1 1 A 49 49 MET CA C 49 55.000 54.570 0.430 1
1 307 . 2 1 1 A 49 49 MET CB C 49 35.900 34.477 1.423 1
1 309 . 2 1 1 A 49 49 MET N N 49 120.000 120.325 -0.325 1
1 310 . 2 1 1 A 50 50 SER H H 50 9.020 8.578 0.442 1
1 311 . 2 1 1 A 50 50 SER HA H 50 4.780 4.550 0.230 1
1 314 . 2 1 1 A 50 50 SER CA C 50 57.700 57.354 0.346 1
1 315 . 2 1 1 A 50 50 SER CB C 50 62.600 62.480 0.120 1
1 316 . 2 1 1 A 50 50 SER N N 50 117.900 116.748 1.152 1
1 317 . 2 1 1 A 51 51 PRO HA H 51 4.240 4.372 -0.132 1
1 324 . 2 1 1 A 51 51 PRO CA C 51 66.000 65.074 0.926 1
1 325 . 2 1 1 A 51 51 PRO CB C 51 31.800 32.011 -0.211 1
1 328 . 2 1 1 A 52 52 LEU H H 52 8.160 7.556 0.604 1
1 329 . 2 1 1 A 52 52 LEU HA H 52 4.110 4.052 0.058 1
1 339 . 2 1 1 A 52 52 LEU CA C 52 57.900 57.024 0.876 1
1 340 . 2 1 1 A 52 52 LEU CB C 52 41.400 42.216 -0.816 1
1 344 . 2 1 1 A 52 52 LEU N N 52 117.600 117.719 -0.119 1
1 345 . 2 1 1 A 53 53 ASP H H 53 7.510 8.299 -0.789 1
1 346 . 2 1 1 A 53 53 ASP HA H 53 4.420 4.344 0.076 1
1 349 . 2 1 1 A 53 53 ASP CA C 53 56.600 57.930 -1.330 1
1 350 . 2 1 1 A 53 53 ASP CB C 53 39.800 41.811 -2.011 1
1 351 . 2 1 1 A 53 53 ASP N N 53 119.900 119.330 0.570 1
1 352 . 2 1 1 A 54 54 ALA H H 54 8.800 8.398 0.402 1
1 353 . 2 1 1 A 54 54 ALA HA H 54 4.210 4.083 0.127 1
1 357 . 2 1 1 A 54 54 ALA CA C 54 54.700 54.870 -0.170 1
1 358 . 2 1 1 A 54 54 ALA CB C 54 18.200 18.110 0.090 1
1 359 . 2 1 1 A 54 54 ALA N N 54 123.400 121.472 1.928 1
1 360 . 2 1 1 A 55 55 ARG H H 55 7.860 7.910 -0.050 1
1 361 . 2 1 1 A 55 55 ARG HA H 55 3.730 4.044 -0.314 1
1 368 . 2 1 1 A 55 55 ARG CA C 55 60.200 59.751 0.449 1
1 369 . 2 1 1 A 55 55 ARG CB C 55 30.100 30.009 0.091 1
1 372 . 2 1 1 A 55 55 ARG N N 55 117.100 118.060 -0.960 1
1 373 . 2 1 1 A 56 56 GLU H H 56 7.630 8.451 -0.821 1
1 374 . 2 1 1 A 56 56 GLU HA H 56 4.000 4.060 -0.060 1
1 379 . 2 1 1 A 56 56 GLU CA C 56 58.800 59.080 -0.280 1
1 380 . 2 1 1 A 56 56 GLU CB C 56 28.300 28.373 -0.073 1
1 382 . 2 1 1 A 56 56 GLU N N 56 115.900 118.414 -2.514 1
1 383 . 2 1 1 A 57 57 ASP H H 57 8.120 7.946 0.174 1
1 384 . 2 1 1 A 57 57 ASP HA H 57 4.380 4.402 -0.022 1
1 387 . 2 1 1 A 57 57 ASP CA C 57 57.400 56.840 0.560 1
1 388 . 2 1 1 A 57 57 ASP CB C 57 42.500 41.168 1.332 1
1 389 . 2 1 1 A 57 57 ASP N N 57 120.200 120.896 -0.696 1
1 390 . 2 1 1 A 58 58 LEU H H 58 8.160 7.978 0.182 1
1 391 . 2 1 1 A 58 58 LEU HA H 58 3.860 4.038 -0.178 1
1 401 . 2 1 1 A 58 58 LEU CA C 58 57.500 58.076 -0.576 1
1 402 . 2 1 1 A 58 58 LEU CB C 58 41.400 42.066 -0.666 1
1 406 . 2 1 1 A 58 58 LEU N N 58 117.300 119.911 -2.611 1
1 407 . 2 1 1 A 59 59 ILE H H 59 8.020 8.646 -0.626 1
1 408 . 2 1 1 A 59 59 ILE HA H 59 3.300 3.534 -0.234 1
1 418 . 2 1 1 A 59 59 ILE CA C 59 65.700 65.613 0.087 1
1 419 . 2 1 1 A 59 59 ILE CB C 59 37.500 37.694 -0.194 1
1 423 . 2 1 1 A 59 59 ILE N N 59 118.600 119.306 -0.706 1
1 424 . 2 1 1 A 60 60 LYS H H 60 7.890 8.243 -0.353 1
1 425 . 2 1 1 A 60 60 LYS HA H 60 4.090 4.068 0.022 1
1 434 . 2 1 1 A 60 60 LYS CA C 60 59.800 58.991 0.809 1
1 435 . 2 1 1 A 60 60 LYS CB C 60 31.900 31.885 0.015 1
1 439 . 2 1 1 A 60 60 LYS N N 60 119.400 120.559 -1.159 1
1 440 . 2 1 1 A 61 61 LYS H H 61 8.080 7.685 0.395 1
1 441 . 2 1 1 A 61 61 LYS HA H 61 3.980 4.013 -0.033 1
1 450 . 2 1 1 A 61 61 LYS CA C 61 59.200 59.436 -0.236 1
1 451 . 2 1 1 A 61 61 LYS CB C 61 33.500 32.435 1.065 1
1 455 . 2 1 1 A 61 61 LYS N N 61 119.200 119.451 -0.251 1
1 456 . 2 1 1 A 62 62 ALA H H 62 8.490 8.534 -0.044 1
1 457 . 2 1 1 A 62 62 ALA HA H 62 3.770 4.077 -0.307 1
1 461 . 2 1 1 A 62 62 ALA CA C 62 54.900 55.252 -0.352 1
1 462 . 2 1 1 A 62 62 ALA CB C 62 19.100 18.521 0.579 1
1 463 . 2 1 1 A 62 62 ALA N N 62 122.200 122.355 -0.155 1
1 464 . 2 1 1 A 63 63 ASP H H 63 8.850 8.010 0.840 1
1 465 . 2 1 1 A 63 63 ASP HA H 63 4.590 4.386 0.204 1
1 468 . 2 1 1 A 63 63 ASP CA C 63 56.900 57.334 -0.434 1
1 469 . 2 1 1 A 63 63 ASP CB C 63 39.000 41.077 -2.077 1
1 470 . 2 1 1 A 63 63 ASP N N 63 120.200 118.203 1.997 1
1 471 . 2 1 1 A 64 64 GLU H H 64 8.050 8.430 -0.380 1
1 472 . 2 1 1 A 64 64 GLU HA H 64 4.070 4.109 -0.039 1
1 477 . 2 1 1 A 64 64 GLU CA C 64 58.800 59.255 -0.455 1
1 478 . 2 1 1 A 64 64 GLU CB C 64 29.000 29.545 -0.545 1
1 480 . 2 1 1 A 64 64 GLU N N 64 121.300 118.953 2.347 1
1 481 . 2 1 1 A 65 65 LYS H H 65 7.180 7.786 -0.606 1
1 482 . 2 1 1 A 65 65 LYS HA H 65 4.310 4.458 -0.148 1
1 491 . 2 1 1 A 65 65 LYS CA C 65 54.800 56.883 -2.083 1
1 492 . 2 1 1 A 65 65 LYS CB C 65 33.000 33.322 -0.322 1
1 496 . 2 1 1 A 65 65 LYS N N 65 115.600 117.998 -2.398 1
1 497 . 2 1 1 A 66 66 GLY H H 66 7.870 7.721 0.149 1
1 498 . 2 1 1 A 66 66 GLY HA2 H 66 3.860 3.727 0.133 1
1 499 . 2 1 1 A 66 66 GLY HA3 H 66 3.980 3.780 0.200 1
1 500 . 2 1 1 A 66 66 GLY CA C 66 45.700 46.064 -0.364 1
1 501 . 2 1 1 A 66 66 GLY N N 66 107.500 107.953 -0.453 1
1 502 . 2 1 1 A 67 67 ALA H H 67 7.920 8.040 -0.120 1
1 503 . 2 1 1 A 67 67 ALA HA H 67 4.020 4.641 -0.621 1
1 507 . 2 1 1 A 67 67 ALA CA C 67 51.700 50.392 1.308 1
1 508 . 2 1 1 A 67 67 ALA CB C 67 21.100 21.496 -0.396 1
1 509 . 2 1 1 A 67 67 ALA N N 67 118.900 122.349 -3.449 1
1 510 . 2 1 1 A 68 68 ASP H H 68 8.790 9.157 -0.367 1
1 511 . 2 1 1 A 68 68 ASP HA H 68 5.070 4.671 0.399 1
1 514 . 2 1 1 A 68 68 ASP CA C 68 56.500 55.714 0.786 1
1 515 . 2 1 1 A 68 68 ASP CB C 68 44.900 41.557 3.343 1
1 516 . 2 1 1 A 68 68 ASP N N 68 116.500 121.038 -4.538 1
1 517 . 2 1 1 A 69 69 VAL H H 69 8.070 7.909 0.161 1
1 518 . 2 1 1 A 69 69 VAL HA H 69 5.130 5.193 -0.063 1
1 526 . 2 1 1 A 69 69 VAL CA C 69 60.300 60.691 -0.391 1
1 527 . 2 1 1 A 69 69 VAL CB C 69 37.400 35.764 1.636 1
1 530 . 2 1 1 A 69 69 VAL N N 69 118.400 116.376 2.024 1
1 531 . 2 1 1 A 70 70 VAL H H 70 8.720 9.020 -0.300 1
1 532 . 2 1 1 A 70 70 VAL HA H 70 4.550 5.122 -0.572 1
1 540 . 2 1 1 A 70 70 VAL CA C 70 59.800 59.465 0.335 1
1 541 . 2 1 1 A 70 70 VAL CB C 70 34.200 34.705 -0.505 1
1 544 . 2 1 1 A 70 70 VAL N N 70 127.300 121.847 5.453 1
1 545 . 2 1 1 A 71 71 VAL H H 71 8.890 9.315 -0.425 1
1 546 . 2 1 1 A 71 71 VAL HA H 71 4.550 4.532 0.018 1
1 554 . 2 1 1 A 71 71 VAL CA C 71 60.800 61.036 -0.236 1
1 555 . 2 1 1 A 71 71 VAL CB C 71 34.000 33.084 0.916 1
1 558 . 2 1 1 A 71 71 VAL N N 71 126.700 122.962 3.738 1
1 559 . 2 1 1 A 72 72 LEU H H 72 8.800 8.716 0.084 1
1 560 . 2 1 1 A 72 72 LEU HA H 72 4.440 4.385 0.055 1
1 570 . 2 1 1 A 72 72 LEU CA C 72 55.700 54.485 1.215 1
1 571 . 2 1 1 A 72 72 LEU CB C 72 41.500 40.813 0.687 1
1 575 . 2 1 1 A 72 72 LEU N N 72 127.400 128.885 -1.485 1
1 576 . 2 1 1 A 73 73 THR H H 73 8.630 8.198 0.432 1
1 577 . 2 1 1 A 73 73 THR HA H 73 4.430 4.010 0.420 1
1 582 . 2 1 1 A 73 73 THR CA C 73 61.500 64.395 -2.895 1
1 583 . 2 1 1 A 73 73 THR CB C 73 69.400 69.719 -0.319 1
1 585 . 2 1 1 A 73 73 THR N N 73 114.000 117.435 -3.435 1
1 586 . 2 1 1 A 74 74 SER H H 74 8.130 8.137 -0.007 1
1 587 . 2 1 1 A 74 74 SER HA H 74 4.540 4.465 0.075 1
1 590 . 2 1 1 A 74 74 SER CA C 74 58.000 58.293 -0.293 1
1 591 . 2 1 1 A 74 74 SER CB C 74 63.800 62.125 1.675 1
1 592 . 2 1 1 A 74 74 SER N N 74 116.000 116.001 -0.001 1
1 593 . 2 1 1 A 75 75 GLY H H 75 8.570 8.905 -0.335 1
1 594 . 2 1 1 A 75 75 GLY HA2 H 75 4.040 3.852 0.188 1
1 595 . 2 1 1 A 75 75 GLY HA3 H 75 4.040 3.871 0.169 1
1 596 . 2 1 1 A 75 75 GLY CA C 75 45.100 46.821 -1.721 1
1 597 . 2 1 1 A 75 75 GLY N N 75 109.800 109.996 -0.196 1
1 598 . 2 1 1 A 76 76 GLN H H 76 8.390 8.296 0.094 1
1 599 . 2 1 1 A 76 76 GLN HA H 76 4.490 3.996 0.494 1
1 606 . 2 1 1 A 76 76 GLN CA C 76 55.900 56.962 -1.062 1
1 607 . 2 1 1 A 76 76 GLN CB C 76 29.600 28.042 1.558 1
1 609 . 2 1 1 A 76 76 GLN N N 76 119.200 119.385 -0.185 1
1 611 . 2 1 1 A 77 77 THR H H 77 8.100 8.289 -0.189 1
1 612 . 2 1 1 A 77 77 THR HA H 77 4.420 4.257 0.163 1
1 617 . 2 1 1 A 77 77 THR CA C 77 61.300 65.085 -3.785 1
1 618 . 2 1 1 A 77 77 THR CB C 77 69.700 69.549 0.151 1
1 620 . 2 1 1 A 77 77 THR N N 77 113.000 112.323 0.677 1
1 621 . 2 1 1 A 78 78 GLU H H 78 8.450 8.198 0.252 1
1 622 . 2 1 1 A 78 78 GLU HA H 78 4.250 4.263 -0.013 1
1 627 . 2 1 1 A 78 78 GLU CA C 78 56.900 58.498 -1.598 1
1 628 . 2 1 1 A 78 78 GLU CB C 78 29.500 29.533 -0.033 1
1 630 . 2 1 1 A 78 78 GLU N N 78 120.700 120.990 -0.290 1
1 631 . 2 1 1 A 79 79 ASN H H 79 8.320 8.825 -0.505 1
1 632 . 2 1 1 A 79 79 ASN HA H 79 4.600 4.486 0.114 1
1 637 . 2 1 1 A 79 79 ASN CA C 79 53.700 55.979 -2.279 1
1 638 . 2 1 1 A 79 79 ASN CB C 79 38.600 38.845 -0.245 1
1 639 . 2 1 1 A 79 79 ASN N N 79 117.000 118.402 -1.402 1
1 641 . 2 1 1 A 80 80 LYS H H 80 7.910 7.527 0.383 1
1 642 . 2 1 1 A 80 80 LYS HA H 80 4.300 4.383 -0.083 1
1 651 . 2 1 1 A 80 80 LYS CA C 80 56.000 55.127 0.873 1
1 652 . 2 1 1 A 80 80 LYS CB C 80 33.300 33.288 0.012 1
1 656 . 2 1 1 A 80 80 LYS N N 80 118.800 114.120 4.680 1
1 657 . 2 1 1 A 81 81 ILE H H 81 8.340 8.037 0.303 1
1 658 . 2 1 1 A 81 81 ILE HA H 81 4.300 4.228 0.072 1
1 668 . 2 1 1 A 81 81 ILE CA C 81 60.500 63.265 -2.765 1
1 669 . 2 1 1 A 81 81 ILE CB C 81 39.800 36.955 2.845 1
1 673 . 2 1 1 A 81 81 ILE N N 81 119.600 116.760 2.840 1
1 674 . 2 1 1 A 82 82 HIS H H 82 8.470 8.140 0.330 1
1 675 . 2 1 1 A 82 82 HIS HA H 82 4.780 5.339 -0.559 1
1 680 . 2 1 1 A 82 82 HIS CA C 82 54.700 54.876 -0.176 1
1 681 . 2 1 1 A 82 82 HIS CB C 82 28.900 31.193 -2.293 1
1 684 . 2 1 1 A 82 82 HIS N N 82 121.600 124.880 -3.280 1
1 685 . 2 1 1 A 83 83 GLY H H 83 8.340 8.157 0.183 1
1 686 . 2 1 1 A 83 83 GLY HA2 H 83 3.690 3.972 -0.282 1
1 687 . 2 1 1 A 83 83 GLY HA3 H 83 4.190 3.986 0.204 1
1 688 . 2 1 1 A 83 83 GLY CA C 83 45.000 44.161 0.839 1
1 689 . 2 1 1 A 83 83 GLY N N 83 111.600 109.440 2.160 1
1 690 . 2 1 1 A 84 84 THR H H 84 8.120 8.529 -0.409 1
1 691 . 2 1 1 A 84 84 THR HA H 84 5.030 5.517 -0.487 1
1 696 . 2 1 1 A 84 84 THR CA C 84 60.100 60.176 -0.076 1
1 697 . 2 1 1 A 84 84 THR CB C 84 72.000 72.611 -0.611 1
1 699 . 2 1 1 A 84 84 THR N N 84 112.300 113.210 -0.910 1
1 700 . 2 1 1 A 85 85 ALA H H 85 8.840 8.706 0.134 1
1 701 . 2 1 1 A 85 85 ALA HA H 85 4.950 4.942 0.008 1
1 705 . 2 1 1 A 85 85 ALA CA C 85 51.200 51.620 -0.420 1
1 706 . 2 1 1 A 85 85 ALA CB C 85 23.800 22.808 0.992 1
1 707 . 2 1 1 A 85 85 ALA N N 85 122.500 121.870 0.630 1
1 708 . 2 1 1 A 86 86 ASP H H 86 8.510 9.257 -0.747 1
1 709 . 2 1 1 A 86 86 ASP HA H 86 5.200 5.395 -0.195 1
1 712 . 2 1 1 A 86 86 ASP CA C 86 53.400 52.619 0.781 1
1 713 . 2 1 1 A 86 86 ASP CB C 86 43.100 44.576 -1.476 1
1 714 . 2 1 1 A 86 86 ASP N N 86 121.400 123.019 -1.619 1
1 715 . 2 1 1 A 87 87 ILE H H 87 7.970 8.562 -0.592 1
1 716 . 2 1 1 A 87 87 ILE HA H 87 5.370 5.203 0.167 1
1 726 . 2 1 1 A 87 87 ILE CA C 87 58.200 59.265 -1.065 1
1 727 . 2 1 1 A 87 87 ILE CB C 87 41.200 40.837 0.363 1
1 731 . 2 1 1 A 87 87 ILE N N 87 111.200 120.379 -9.179 1
1 732 . 2 1 1 A 88 88 TYR H H 88 8.750 9.587 -0.837 1
1 733 . 2 1 1 A 88 88 TYR HA H 88 5.440 5.405 0.035 1
1 740 . 2 1 1 A 88 88 TYR CA C 88 56.900 56.186 0.714 1
1 741 . 2 1 1 A 88 88 TYR CB C 88 44.000 43.107 0.893 1
1 744 . 2 1 1 A 88 88 TYR N N 88 118.000 121.452 -3.452 1
1 745 . 2 1 1 A 89 89 LYS H H 89 9.590 9.195 0.395 1
1 746 . 2 1 1 A 89 89 LYS HA H 89 5.170 4.902 0.268 1
1 755 . 2 1 1 A 89 89 LYS CA C 89 54.400 54.560 -0.160 1
1 756 . 2 1 1 A 89 89 LYS CB C 89 36.800 34.974 1.826 1
1 760 . 2 1 1 A 89 89 LYS N N 89 123.500 119.677 3.823 1
1 761 . 2 1 1 A 90 90 LYS H H 90 10.190 8.155 2.035 1
1 762 . 2 1 1 A 90 90 LYS HA H 90 3.810 3.901 -0.091 1
1 771 . 2 1 1 A 90 90 LYS CA C 90 57.500 55.699 1.801 1
1 772 . 2 1 1 A 90 90 LYS CB C 90 32.700 33.241 -0.541 1
1 776 . 2 1 1 A 90 90 LYS N N 90 129.200 122.243 6.957 1
1 777 . 2 1 1 A 91 91 LYS H H 91 8.450 9.236 -0.786 1
1 778 . 2 1 1 A 91 91 LYS HA H 91 4.100 4.373 -0.273 1
1 787 . 2 1 1 A 91 91 LYS CA C 91 57.300 56.315 0.985 1
1 788 . 2 1 1 A 91 91 LYS CB C 91 33.100 33.491 -0.391 1
1 792 . 2 1 1 A 91 91 LYS N N 91 125.900 125.543 0.357 1
1 793 . 2 1 1 A 92 92 LEU H H 92 8.270 8.383 -0.113 1
1 794 . 2 1 1 A 92 92 LEU HA H 92 4.280 4.217 0.063 1
1 804 . 2 1 1 A 92 92 LEU CA C 92 54.600 56.842 -2.242 1
1 805 . 2 1 1 A 92 92 LEU CB C 92 42.100 42.322 -0.222 1
1 809 . 2 1 1 A 92 92 LEU N N 92 123.200 121.290 1.910 1
1 810 . 2 1 1 A 93 93 GLU H H 93 8.310 7.995 0.315 1
1 811 . 2 1 1 A 93 93 GLU HA H 93 4.220 4.562 -0.342 1
1 816 . 2 1 1 A 93 93 GLU CA C 93 55.700 55.933 -0.233 1
1 817 . 2 1 1 A 93 93 GLU CB C 93 30.200 30.015 0.185 1
1 819 . 2 1 1 A 93 93 GLU N N 93 122.000 121.353 0.647 1
1 820 . 2 1 1 A 94 94 HIS H H 94 8.570 8.568 0.002 1
1 821 . 2 1 1 A 94 94 HIS HA H 94 4.630 5.111 -0.481 1
1 826 . 2 1 1 A 94 94 HIS CA C 94 55.000 54.322 0.678 1
1 827 . 2 1 1 A 94 94 HIS CB C 94 28.900 32.597 -3.697 1
1 830 . 2 1 1 A 94 94 HIS N N 94 119.700 120.995 -1.295 1
1 831 . 2 1 1 A 95 95 HIS H H 95 8.610 9.050 -0.440 1
1 832 . 2 1 1 A 95 95 HIS HA H 95 4.650 4.144 0.506 1
1 837 . 2 1 1 A 95 95 HIS CA C 95 55.200 56.604 -1.404 1
1 838 . 2 1 1 A 95 95 HIS CB C 95 28.900 27.948 0.952 1
1 841 . 2 1 1 A 95 95 HIS N N 95 119.300 118.706 0.594 1
1 842 . 2 1 1 A 96 96 HIS H H 96 8.680 7.979 0.701 1
1 843 . 2 1 1 A 96 96 HIS HA H 96 4.660 4.720 -0.060 1
1 848 . 2 1 1 A 96 96 HIS CA C 96 55.200 55.695 -0.495 1
1 849 . 2 1 1 A 96 96 HIS CB C 96 29.100 29.689 -0.589 1
1 852 . 2 1 1 A 96 96 HIS N N 96 120.100 116.313 3.787 1
1 853 . 2 1 1 A 97 97 HIS H H 97 8.580 7.666 0.914 1
1 854 . 2 1 1 A 97 97 HIS HA H 97 4.660 4.406 0.254 1
1 859 . 2 1 1 A 97 97 HIS CA C 97 55.400 56.909 -1.509 1
1 860 . 2 1 1 A 97 97 HIS CB C 97 29.200 28.619 0.581 1
1 863 . 2 1 1 A 97 97 HIS N N 97 120.400 114.127 6.273 1
1 864 . 2 1 1 A 98 98 HIS H H 98 8.390 8.436 -0.046 1
1 865 . 2 1 1 A 98 98 HIS HA H 98 4.620 5.136 -0.516 1
1 870 . 2 1 1 A 98 98 HIS CA C 98 55.500 54.722 0.778 1
1 871 . 2 1 1 A 98 98 HIS CB C 98 29.100 31.632 -2.532 1
1 1 . 3 1 1 A 22 22 ALA HA H 22 4.130 3.991 0.139 1
1 5 . 3 1 1 A 22 22 ALA CA C 22 50.900 52.992 -2.092 1
1 6 . 3 1 1 A 22 22 ALA CB C 22 20.200 17.637 2.563 1
1 7 . 3 1 1 A 23 23 GLU H H 23 7.920 7.597 0.323 1
1 8 . 3 1 1 A 23 23 GLU HA H 23 4.710 4.906 -0.196 1
1 13 . 3 1 1 A 23 23 GLU CA C 23 54.300 54.678 -0.378 1
1 14 . 3 1 1 A 23 23 GLU CB C 23 32.500 33.757 -1.257 1
1 16 . 3 1 1 A 23 23 GLU N N 23 117.600 115.993 1.607 1
1 17 . 3 1 1 A 24 24 ILE H H 24 8.870 8.623 0.247 1
1 18 . 3 1 1 A 24 24 ILE HA H 24 4.870 4.517 0.353 1
1 28 . 3 1 1 A 24 24 ILE CA C 24 60.200 60.066 0.134 1
1 29 . 3 1 1 A 24 24 ILE CB C 24 38.100 38.081 0.019 1
1 33 . 3 1 1 A 24 24 ILE N N 24 123.800 121.448 2.352 1
1 34 . 3 1 1 A 25 25 MET H H 25 8.720 8.732 -0.012 1
1 35 . 3 1 1 A 25 25 MET HA H 25 4.760 5.087 -0.327 1
1 40 . 3 1 1 A 25 25 MET CA C 25 54.300 54.059 0.241 1
1 41 . 3 1 1 A 25 25 MET CB C 25 37.100 37.264 -0.164 1
1 43 . 3 1 1 A 25 25 MET N N 25 127.100 122.702 4.398 1
1 44 . 3 1 1 A 26 26 LYS H H 26 9.190 8.579 0.611 1
1 45 . 3 1 1 A 26 26 LYS HA H 26 4.320 4.230 0.090 1
1 54 . 3 1 1 A 26 26 LYS CA C 26 56.600 57.177 -0.577 1
1 55 . 3 1 1 A 26 26 LYS CB C 26 32.900 32.817 0.083 1
1 59 . 3 1 1 A 26 26 LYS N N 26 123.500 120.620 2.880 1
1 60 . 3 1 1 A 27 27 LYS H H 27 8.870 8.800 0.070 1
1 61 . 3 1 1 A 27 27 LYS HA H 27 3.860 4.132 -0.272 1
1 70 . 3 1 1 A 27 27 LYS CA C 27 60.500 59.219 1.281 1
1 71 . 3 1 1 A 27 27 LYS CB C 27 32.400 31.894 0.506 1
1 75 . 3 1 1 A 27 27 LYS N N 27 126.200 122.964 3.236 1
1 76 . 3 1 1 A 28 28 THR H H 28 8.110 7.930 0.180 1
1 77 . 3 1 1 A 28 28 THR HA H 28 4.130 3.889 0.241 1
1 82 . 3 1 1 A 28 28 THR CA C 28 64.600 67.452 -2.852 1
1 83 . 3 1 1 A 28 28 THR CB C 28 68.000 68.473 -0.473 1
1 85 . 3 1 1 A 28 28 THR N N 28 107.100 116.819 -9.719 1
1 86 . 3 1 1 A 29 29 ASP H H 29 6.770 8.259 -1.489 1
1 87 . 3 1 1 A 29 29 ASP HA H 29 4.580 4.319 0.261 1
1 90 . 3 1 1 A 29 29 ASP CA C 29 56.600 57.282 -0.682 1
1 91 . 3 1 1 A 29 29 ASP CB C 29 40.600 40.233 0.367 1
1 92 . 3 1 1 A 29 29 ASP N N 29 119.500 120.075 -0.575 1
1 93 . 3 1 1 A 30 30 PHE H H 30 8.630 8.629 0.001 1
1 94 . 3 1 1 A 30 30 PHE HA H 30 3.930 3.815 0.115 1
1 102 . 3 1 1 A 30 30 PHE CA C 30 60.800 61.310 -0.510 1
1 103 . 3 1 1 A 30 30 PHE CB C 30 38.900 39.022 -0.122 1
1 107 . 3 1 1 A 30 30 PHE N N 30 123.300 121.999 1.301 1
1 108 . 3 1 1 A 31 31 ASP H H 31 8.650 8.441 0.209 1
1 109 . 3 1 1 A 31 31 ASP HA H 31 4.150 3.951 0.199 1
1 112 . 3 1 1 A 31 31 ASP CA C 31 57.000 57.286 -0.286 1
1 113 . 3 1 1 A 31 31 ASP CB C 31 39.800 41.293 -1.493 1
1 114 . 3 1 1 A 31 31 ASP N N 31 117.000 118.902 -1.902 1
1 115 . 3 1 1 A 32 32 LYS H H 32 6.930 7.398 -0.468 1
1 116 . 3 1 1 A 32 32 LYS HA H 32 4.110 4.090 0.020 1
1 125 . 3 1 1 A 32 32 LYS CA C 32 58.300 58.549 -0.249 1
1 126 . 3 1 1 A 32 32 LYS CB C 32 33.100 32.206 0.894 1
1 130 . 3 1 1 A 32 32 LYS N N 32 114.800 118.533 -3.733 1
1 131 . 3 1 1 A 33 33 VAL H H 33 7.400 7.999 -0.599 1
1 132 . 3 1 1 A 33 33 VAL HA H 33 4.620 3.864 0.756 1
1 140 . 3 1 1 A 33 33 VAL CA C 33 60.100 63.705 -3.605 1
1 141 . 3 1 1 A 33 33 VAL CB C 33 32.300 31.103 1.197 1
1 144 . 3 1 1 A 33 33 VAL N N 33 109.100 116.327 -7.227 1
1 145 . 3 1 1 A 34 34 ALA H H 34 6.710 7.898 -1.188 1
1 146 . 3 1 1 A 34 34 ALA HA H 34 3.010 3.786 -0.776 1
1 150 . 3 1 1 A 34 34 ALA CA C 34 55.100 54.709 0.391 1
1 151 . 3 1 1 A 34 34 ALA CB C 34 19.200 17.751 1.449 1
1 152 . 3 1 1 A 34 34 ALA N N 34 124.300 125.384 -1.084 1
1 153 . 3 1 1 A 35 35 SER H H 35 8.120 8.265 -0.145 1
1 154 . 3 1 1 A 35 35 SER HA H 35 4.320 4.070 0.250 1
1 157 . 3 1 1 A 35 35 SER CA C 35 60.400 61.334 -0.934 1
1 158 . 3 1 1 A 35 35 SER CB C 35 62.400 62.998 -0.598 1
1 159 . 3 1 1 A 35 35 SER N N 35 110.400 112.988 -2.588 1
1 160 . 3 1 1 A 36 36 GLU H H 36 8.300 8.164 0.136 1
1 161 . 3 1 1 A 36 36 GLU HA H 36 4.270 4.585 -0.315 1
1 166 . 3 1 1 A 36 36 GLU CA C 36 55.700 56.035 -0.335 1
1 167 . 3 1 1 A 36 36 GLU CB C 36 28.900 30.290 -1.390 1
1 169 . 3 1 1 A 36 36 GLU N N 36 119.200 117.717 1.483 1
1 170 . 3 1 1 A 37 37 TYR H H 37 7.920 7.738 0.182 1
1 171 . 3 1 1 A 37 37 TYR HA H 37 5.150 5.154 -0.004 1
1 178 . 3 1 1 A 37 37 TYR CA C 37 57.900 56.429 1.471 1
1 179 . 3 1 1 A 37 37 TYR CB C 37 44.100 42.938 1.162 1
1 182 . 3 1 1 A 37 37 TYR N N 37 117.200 119.442 -2.242 1
1 183 . 3 1 1 A 38 38 THR H H 38 9.480 9.234 0.246 1
1 184 . 3 1 1 A 38 38 THR HA H 38 4.840 5.065 -0.225 1
1 189 . 3 1 1 A 38 38 THR CA C 38 60.400 61.161 -0.761 1
1 190 . 3 1 1 A 38 38 THR CB C 38 71.200 72.237 -1.037 1
1 192 . 3 1 1 A 38 38 THR N N 38 115.400 114.631 0.769 1
1 193 . 3 1 1 A 39 39 LYS H H 39 9.290 8.760 0.530 1
1 194 . 3 1 1 A 39 39 LYS HA H 39 3.880 4.007 -0.127 1
1 203 . 3 1 1 A 39 39 LYS CA C 39 57.500 57.323 0.177 1
1 204 . 3 1 1 A 39 39 LYS CB C 39 32.300 31.754 0.546 1
1 208 . 3 1 1 A 39 39 LYS N N 39 130.400 130.697 -0.297 1
1 209 . 3 1 1 A 40 40 ILE H H 40 8.820 8.275 0.545 1
1 210 . 3 1 1 A 40 40 ILE HA H 40 4.550 4.572 -0.022 1
1 220 . 3 1 1 A 40 40 ILE CA C 40 60.900 60.138 0.762 1
1 221 . 3 1 1 A 40 40 ILE CB C 40 39.200 38.397 0.803 1
1 225 . 3 1 1 A 40 40 ILE N N 40 121.900 122.942 -1.042 1
1 226 . 3 1 1 A 41 41 GLY H H 41 7.130 7.234 -0.104 1
1 227 . 3 1 1 A 41 41 GLY HA2 H 41 3.950 3.978 -0.028 1
1 228 . 3 1 1 A 41 41 GLY HA3 H 41 4.260 3.992 0.268 1
1 229 . 3 1 1 A 41 41 GLY CA C 41 45.100 43.897 1.203 1
1 230 . 3 1 1 A 41 41 GLY N N 41 107.400 110.297 -2.897 1
1 231 . 3 1 1 A 42 42 THR H H 42 8.210 8.196 0.014 1
1 232 . 3 1 1 A 42 42 THR HA H 42 5.230 4.971 0.259 1
1 237 . 3 1 1 A 42 42 THR CA C 42 60.900 61.485 -0.585 1
1 238 . 3 1 1 A 42 42 THR CB C 42 72.300 71.040 1.260 1
1 240 . 3 1 1 A 42 42 THR N N 42 115.100 115.675 -0.575 1
1 241 . 3 1 1 A 43 43 ILE H H 43 9.130 9.480 -0.350 1
1 242 . 3 1 1 A 43 43 ILE HA H 43 4.790 5.245 -0.455 1
1 252 . 3 1 1 A 43 43 ILE CA C 43 59.400 58.969 0.431 1
1 253 . 3 1 1 A 43 43 ILE CB C 43 42.600 42.289 0.311 1
1 257 . 3 1 1 A 43 43 ILE N N 43 118.000 119.941 -1.941 1
1 258 . 3 1 1 A 44 44 SER H H 44 8.330 8.806 -0.476 1
1 259 . 3 1 1 A 44 44 SER HA H 44 5.250 5.278 -0.028 1
1 262 . 3 1 1 A 44 44 SER CA C 44 56.700 56.999 -0.299 1
1 263 . 3 1 1 A 44 44 SER CB C 44 66.000 66.966 -0.966 1
1 264 . 3 1 1 A 44 44 SER N N 44 113.300 116.200 -2.900 1
1 265 . 3 1 1 A 45 45 THR H H 45 8.380 8.346 0.034 1
1 266 . 3 1 1 A 45 45 THR HA H 45 4.550 5.276 -0.726 1
1 271 . 3 1 1 A 45 45 THR CA C 45 60.900 60.195 0.705 1
1 272 . 3 1 1 A 45 45 THR CB C 45 70.000 71.282 -1.282 1
1 274 . 3 1 1 A 45 45 THR N N 45 113.300 110.458 2.842 1
1 275 . 3 1 1 A 46 46 THR H H 46 8.540 8.739 -0.199 1
1 276 . 3 1 1 A 46 46 THR HA H 46 4.400 4.823 -0.423 1
1 281 . 3 1 1 A 46 46 THR CA C 46 62.000 59.777 2.223 1
1 282 . 3 1 1 A 46 46 THR CB C 46 69.300 72.225 -2.925 1
1 284 . 3 1 1 A 46 46 THR N N 46 117.700 118.533 -0.833 1
1 285 . 3 1 1 A 47 47 GLY H H 47 8.320 8.570 -0.250 1
1 286 . 3 1 1 A 47 47 GLY HA2 H 47 3.890 3.913 -0.023 1
1 287 . 3 1 1 A 47 47 GLY HA3 H 47 3.980 3.930 0.050 1
1 288 . 3 1 1 A 47 47 GLY CA C 47 44.800 44.909 -0.109 1
1 289 . 3 1 1 A 47 47 GLY N N 47 111.700 115.516 -3.816 1
1 290 . 3 1 1 A 48 48 GLU H H 48 8.430 8.218 0.212 1
1 291 . 3 1 1 A 48 48 GLU HA H 48 4.390 3.897 0.493 1
1 296 . 3 1 1 A 48 48 GLU CA C 48 55.600 56.814 -1.214 1
1 297 . 3 1 1 A 48 48 GLU CB C 48 29.400 28.264 1.136 1
1 299 . 3 1 1 A 48 48 GLU N N 48 120.100 116.866 3.234 1
1 300 . 3 1 1 A 49 49 MET H H 49 8.390 8.309 0.081 1
1 301 . 3 1 1 A 49 49 MET HA H 49 4.700 5.018 -0.318 1
1 306 . 3 1 1 A 49 49 MET CA C 49 55.000 53.842 1.158 1
1 307 . 3 1 1 A 49 49 MET CB C 49 35.900 36.550 -0.650 1
1 309 . 3 1 1 A 49 49 MET N N 49 120.000 120.063 -0.063 1
1 310 . 3 1 1 A 50 50 SER H H 50 9.020 8.494 0.526 1
1 311 . 3 1 1 A 50 50 SER HA H 50 4.780 4.518 0.262 1
1 314 . 3 1 1 A 50 50 SER CA C 50 57.700 57.444 0.256 1
1 315 . 3 1 1 A 50 50 SER CB C 50 62.600 62.566 0.034 1
1 316 . 3 1 1 A 50 50 SER N N 50 117.900 116.441 1.459 1
1 317 . 3 1 1 A 51 51 PRO HA H 51 4.240 4.271 -0.031 1
1 324 . 3 1 1 A 51 51 PRO CA C 51 66.000 65.854 0.146 1
1 325 . 3 1 1 A 51 51 PRO CB C 51 31.800 31.731 0.069 1
1 328 . 3 1 1 A 52 52 LEU H H 52 8.160 7.728 0.432 1
1 329 . 3 1 1 A 52 52 LEU HA H 52 4.110 4.046 0.064 1
1 339 . 3 1 1 A 52 52 LEU CA C 52 57.900 57.191 0.709 1
1 340 . 3 1 1 A 52 52 LEU CB C 52 41.400 41.914 -0.514 1
1 344 . 3 1 1 A 52 52 LEU N N 52 117.600 117.168 0.432 1
1 345 . 3 1 1 A 53 53 ASP H H 53 7.510 8.422 -0.912 1
1 346 . 3 1 1 A 53 53 ASP HA H 53 4.420 4.316 0.104 1
1 349 . 3 1 1 A 53 53 ASP CA C 53 56.600 57.273 -0.673 1
1 350 . 3 1 1 A 53 53 ASP CB C 53 39.800 40.121 -0.321 1
1 351 . 3 1 1 A 53 53 ASP N N 53 119.900 118.533 1.367 1
1 352 . 3 1 1 A 54 54 ALA H H 54 8.800 8.498 0.302 1
1 353 . 3 1 1 A 54 54 ALA HA H 54 4.210 4.025 0.185 1
1 357 . 3 1 1 A 54 54 ALA CA C 54 54.700 55.029 -0.329 1
1 358 . 3 1 1 A 54 54 ALA CB C 54 18.200 18.437 -0.237 1
1 359 . 3 1 1 A 54 54 ALA N N 54 123.400 122.740 0.660 1
1 360 . 3 1 1 A 55 55 ARG H H 55 7.860 8.177 -0.317 1
1 361 . 3 1 1 A 55 55 ARG HA H 55 3.730 4.004 -0.274 1
1 368 . 3 1 1 A 55 55 ARG CA C 55 60.200 59.789 0.411 1
1 369 . 3 1 1 A 55 55 ARG CB C 55 30.100 30.137 -0.037 1
1 372 . 3 1 1 A 55 55 ARG N N 55 117.100 117.569 -0.469 1
1 373 . 3 1 1 A 56 56 GLU H H 56 7.630 8.322 -0.692 1
1 374 . 3 1 1 A 56 56 GLU HA H 56 4.000 4.024 -0.024 1
1 379 . 3 1 1 A 56 56 GLU CA C 56 58.800 59.611 -0.811 1
1 380 . 3 1 1 A 56 56 GLU CB C 56 28.300 29.021 -0.721 1
1 382 . 3 1 1 A 56 56 GLU N N 56 115.900 119.906 -4.006 1
1 383 . 3 1 1 A 57 57 ASP H H 57 8.120 7.979 0.141 1
1 384 . 3 1 1 A 57 57 ASP HA H 57 4.380 4.384 -0.004 1
1 387 . 3 1 1 A 57 57 ASP CA C 57 57.400 57.179 0.221 1
1 388 . 3 1 1 A 57 57 ASP CB C 57 42.500 41.361 1.139 1
1 389 . 3 1 1 A 57 57 ASP N N 57 120.200 119.579 0.621 1
1 390 . 3 1 1 A 58 58 LEU H H 58 8.160 8.251 -0.091 1
1 391 . 3 1 1 A 58 58 LEU HA H 58 3.860 3.991 -0.131 1
1 401 . 3 1 1 A 58 58 LEU CA C 58 57.500 57.996 -0.496 1
1 402 . 3 1 1 A 58 58 LEU CB C 58 41.400 42.207 -0.807 1
1 406 . 3 1 1 A 58 58 LEU N N 58 117.300 119.791 -2.491 1
1 407 . 3 1 1 A 59 59 ILE H H 59 8.020 8.694 -0.674 1
1 408 . 3 1 1 A 59 59 ILE HA H 59 3.300 3.486 -0.186 1
1 418 . 3 1 1 A 59 59 ILE CA C 59 65.700 65.966 -0.266 1
1 419 . 3 1 1 A 59 59 ILE CB C 59 37.500 38.113 -0.613 1
1 423 . 3 1 1 A 59 59 ILE N N 59 118.600 119.057 -0.457 1
1 424 . 3 1 1 A 60 60 LYS H H 60 7.890 8.180 -0.290 1
1 425 . 3 1 1 A 60 60 LYS HA H 60 4.090 4.074 0.016 1
1 434 . 3 1 1 A 60 60 LYS CA C 60 59.800 59.630 0.170 1
1 435 . 3 1 1 A 60 60 LYS CB C 60 31.900 32.176 -0.276 1
1 439 . 3 1 1 A 60 60 LYS N N 60 119.400 119.102 0.298 1
1 440 . 3 1 1 A 61 61 LYS H H 61 8.080 8.041 0.039 1
1 441 . 3 1 1 A 61 61 LYS HA H 61 3.980 4.102 -0.122 1
1 450 . 3 1 1 A 61 61 LYS CA C 61 59.200 58.928 0.272 1
1 451 . 3 1 1 A 61 61 LYS CB C 61 33.500 32.315 1.185 1
1 455 . 3 1 1 A 61 61 LYS N N 61 119.200 120.001 -0.801 1
1 456 . 3 1 1 A 62 62 ALA H H 62 8.490 8.309 0.181 1
1 457 . 3 1 1 A 62 62 ALA HA H 62 3.770 4.102 -0.332 1
1 461 . 3 1 1 A 62 62 ALA CA C 62 54.900 55.275 -0.375 1
1 462 . 3 1 1 A 62 62 ALA CB C 62 19.100 18.142 0.958 1
1 463 . 3 1 1 A 62 62 ALA N N 62 122.200 121.949 0.251 1
1 464 . 3 1 1 A 63 63 ASP H H 63 8.850 8.684 0.166 1
1 465 . 3 1 1 A 63 63 ASP HA H 63 4.590 4.392 0.198 1
1 468 . 3 1 1 A 63 63 ASP CA C 63 56.900 57.901 -1.001 1
1 469 . 3 1 1 A 63 63 ASP CB C 63 39.000 42.451 -3.451 1
1 470 . 3 1 1 A 63 63 ASP N N 63 120.200 118.878 1.322 1
1 471 . 3 1 1 A 64 64 GLU H H 64 8.050 8.679 -0.629 1
1 472 . 3 1 1 A 64 64 GLU HA H 64 4.070 4.098 -0.028 1
1 477 . 3 1 1 A 64 64 GLU CA C 64 58.800 59.207 -0.407 1
1 478 . 3 1 1 A 64 64 GLU CB C 64 29.000 29.120 -0.120 1
1 480 . 3 1 1 A 64 64 GLU N N 64 121.300 120.099 1.201 1
1 481 . 3 1 1 A 65 65 LYS H H 65 7.180 7.546 -0.366 1
1 482 . 3 1 1 A 65 65 LYS HA H 65 4.310 4.450 -0.140 1
1 491 . 3 1 1 A 65 65 LYS CA C 65 54.800 56.037 -1.237 1
1 492 . 3 1 1 A 65 65 LYS CB C 65 33.000 32.723 0.277 1
1 496 . 3 1 1 A 65 65 LYS N N 65 115.600 117.718 -2.118 1
1 497 . 3 1 1 A 66 66 GLY H H 66 7.870 8.050 -0.180 1
1 498 . 3 1 1 A 66 66 GLY HA2 H 66 3.860 3.959 -0.099 1
1 499 . 3 1 1 A 66 66 GLY HA3 H 66 3.980 3.964 0.016 1
1 500 . 3 1 1 A 66 66 GLY CA C 66 45.700 45.554 0.146 1
1 501 . 3 1 1 A 66 66 GLY N N 66 107.500 107.709 -0.209 1
1 502 . 3 1 1 A 67 67 ALA H H 67 7.920 8.296 -0.376 1
1 503 . 3 1 1 A 67 67 ALA HA H 67 4.020 4.405 -0.385 1
1 507 . 3 1 1 A 67 67 ALA CA C 67 51.700 52.514 -0.814 1
1 508 . 3 1 1 A 67 67 ALA CB C 67 21.100 19.827 1.273 1
1 509 . 3 1 1 A 67 67 ALA N N 67 118.900 122.420 -3.520 1
1 510 . 3 1 1 A 68 68 ASP H H 68 8.790 9.252 -0.462 1
1 511 . 3 1 1 A 68 68 ASP HA H 68 5.070 4.929 0.141 1
1 514 . 3 1 1 A 68 68 ASP CA C 68 56.500 56.118 0.382 1
1 515 . 3 1 1 A 68 68 ASP CB C 68 44.900 42.837 2.063 1
1 516 . 3 1 1 A 68 68 ASP N N 68 116.500 120.667 -4.167 1
1 517 . 3 1 1 A 69 69 VAL H H 69 8.070 8.209 -0.139 1
1 518 . 3 1 1 A 69 69 VAL HA H 69 5.130 4.868 0.262 1
1 526 . 3 1 1 A 69 69 VAL CA C 69 60.300 60.747 -0.447 1
1 527 . 3 1 1 A 69 69 VAL CB C 69 37.400 34.898 2.502 1
1 530 . 3 1 1 A 69 69 VAL N N 69 118.400 118.040 0.360 1
1 531 . 3 1 1 A 70 70 VAL H H 70 8.720 9.224 -0.504 1
1 532 . 3 1 1 A 70 70 VAL HA H 70 4.550 5.131 -0.581 1
1 540 . 3 1 1 A 70 70 VAL CA C 70 59.800 59.577 0.223 1
1 541 . 3 1 1 A 70 70 VAL CB C 70 34.200 34.238 -0.038 1
1 544 . 3 1 1 A 70 70 VAL N N 70 127.300 121.839 5.461 1
1 545 . 3 1 1 A 71 71 VAL H H 71 8.890 8.914 -0.024 1
1 546 . 3 1 1 A 71 71 VAL HA H 71 4.550 4.500 0.050 1
1 554 . 3 1 1 A 71 71 VAL CA C 71 60.800 60.636 0.164 1
1 555 . 3 1 1 A 71 71 VAL CB C 71 34.000 35.220 -1.220 1
1 558 . 3 1 1 A 71 71 VAL N N 71 126.700 122.145 4.555 1
1 559 . 3 1 1 A 72 72 LEU H H 72 8.800 8.738 0.062 1
1 560 . 3 1 1 A 72 72 LEU HA H 72 4.440 4.482 -0.042 1
1 570 . 3 1 1 A 72 72 LEU CA C 72 55.700 54.405 1.295 1
1 571 . 3 1 1 A 72 72 LEU CB C 72 41.500 40.896 0.604 1
1 575 . 3 1 1 A 72 72 LEU N N 72 127.400 127.406 -0.006 1
1 576 . 3 1 1 A 73 73 THR H H 73 8.630 8.468 0.162 1
1 577 . 3 1 1 A 73 73 THR HA H 73 4.430 4.320 0.110 1
1 582 . 3 1 1 A 73 73 THR CA C 73 61.500 63.741 -2.241 1
1 583 . 3 1 1 A 73 73 THR CB C 73 69.400 69.084 0.316 1
1 585 . 3 1 1 A 73 73 THR N N 73 114.000 116.466 -2.466 1
1 586 . 3 1 1 A 74 74 SER H H 74 8.130 7.191 0.939 1
1 587 . 3 1 1 A 74 74 SER HA H 74 4.540 4.598 -0.058 1
1 590 . 3 1 1 A 74 74 SER CA C 74 58.000 57.645 0.355 1
1 591 . 3 1 1 A 74 74 SER CB C 74 63.800 63.490 0.310 1
1 592 . 3 1 1 A 74 74 SER N N 74 116.000 115.592 0.408 1
1 593 . 3 1 1 A 75 75 GLY H H 75 8.570 8.259 0.311 1
1 594 . 3 1 1 A 75 75 GLY HA2 H 75 4.040 4.186 -0.146 1
1 595 . 3 1 1 A 75 75 GLY HA3 H 75 4.040 4.190 -0.150 1
1 596 . 3 1 1 A 75 75 GLY CA C 75 45.100 44.484 0.616 1
1 597 . 3 1 1 A 75 75 GLY N N 75 109.800 108.891 0.909 1
1 598 . 3 1 1 A 76 76 GLN H H 76 8.390 8.529 -0.139 1
1 599 . 3 1 1 A 76 76 GLN HA H 76 4.490 4.785 -0.295 1
1 606 . 3 1 1 A 76 76 GLN CA C 76 55.900 56.095 -0.195 1
1 607 . 3 1 1 A 76 76 GLN CB C 76 29.600 30.624 -1.024 1
1 609 . 3 1 1 A 76 76 GLN N N 76 119.200 120.580 -1.380 1
1 611 . 3 1 1 A 77 77 THR H H 77 8.100 8.973 -0.873 1
1 612 . 3 1 1 A 77 77 THR HA H 77 4.420 3.971 0.449 1
1 617 . 3 1 1 A 77 77 THR CA C 77 61.300 65.451 -4.151 1
1 618 . 3 1 1 A 77 77 THR CB C 77 69.700 69.163 0.537 1
1 620 . 3 1 1 A 77 77 THR N N 77 113.000 120.046 -7.046 1
1 621 . 3 1 1 A 78 78 GLU H H 78 8.450 7.638 0.812 1
1 622 . 3 1 1 A 78 78 GLU HA H 78 4.250 4.456 -0.206 1
1 627 . 3 1 1 A 78 78 GLU CA C 78 56.900 57.722 -0.822 1
1 628 . 3 1 1 A 78 78 GLU CB C 78 29.500 30.736 -1.236 1
1 630 . 3 1 1 A 78 78 GLU N N 78 120.700 115.767 4.933 1
1 631 . 3 1 1 A 79 79 ASN H H 79 8.320 8.433 -0.113 1
1 632 . 3 1 1 A 79 79 ASN HA H 79 4.600 4.552 0.048 1
1 637 . 3 1 1 A 79 79 ASN CA C 79 53.700 55.639 -1.939 1
1 638 . 3 1 1 A 79 79 ASN CB C 79 38.600 38.800 -0.200 1
1 639 . 3 1 1 A 79 79 ASN N N 79 117.000 118.398 -1.398 1
1 641 . 3 1 1 A 80 80 LYS H H 80 7.910 7.781 0.129 1
1 642 . 3 1 1 A 80 80 LYS HA H 80 4.300 4.986 -0.686 1
1 651 . 3 1 1 A 80 80 LYS CA C 80 56.000 54.803 1.197 1
1 652 . 3 1 1 A 80 80 LYS CB C 80 33.300 35.665 -2.365 1
1 656 . 3 1 1 A 80 80 LYS N N 80 118.800 113.935 4.865 1
1 657 . 3 1 1 A 81 81 ILE H H 81 8.340 8.695 -0.355 1
1 658 . 3 1 1 A 81 81 ILE HA H 81 4.300 4.890 -0.590 1
1 668 . 3 1 1 A 81 81 ILE CA C 81 60.500 59.524 0.976 1
1 669 . 3 1 1 A 81 81 ILE CB C 81 39.800 42.142 -2.342 1
1 673 . 3 1 1 A 81 81 ILE N N 81 119.600 118.833 0.767 1
1 674 . 3 1 1 A 82 82 HIS H H 82 8.470 8.792 -0.322 1
1 675 . 3 1 1 A 82 82 HIS HA H 82 4.780 5.188 -0.408 1
1 680 . 3 1 1 A 82 82 HIS CA C 82 54.700 55.503 -0.803 1
1 681 . 3 1 1 A 82 82 HIS CB C 82 28.900 29.829 -0.929 1
1 684 . 3 1 1 A 82 82 HIS N N 82 121.600 119.784 1.816 1
1 685 . 3 1 1 A 83 83 GLY H H 83 8.340 8.071 0.269 1
1 686 . 3 1 1 A 83 83 GLY HA2 H 83 3.690 3.936 -0.246 1
1 687 . 3 1 1 A 83 83 GLY HA3 H 83 4.190 3.952 0.238 1
1 688 . 3 1 1 A 83 83 GLY CA C 83 45.000 45.623 -0.623 1
1 689 . 3 1 1 A 83 83 GLY N N 83 111.600 107.944 3.656 1
1 690 . 3 1 1 A 84 84 THR H H 84 8.120 9.071 -0.951 1
1 691 . 3 1 1 A 84 84 THR HA H 84 5.030 5.484 -0.454 1
1 696 . 3 1 1 A 84 84 THR CA C 84 60.100 59.691 0.409 1
1 697 . 3 1 1 A 84 84 THR CB C 84 72.000 71.534 0.466 1
1 699 . 3 1 1 A 84 84 THR N N 84 112.300 112.229 0.071 1
1 700 . 3 1 1 A 85 85 ALA H H 85 8.840 9.394 -0.554 1
1 701 . 3 1 1 A 85 85 ALA HA H 85 4.950 5.357 -0.407 1
1 705 . 3 1 1 A 85 85 ALA CA C 85 51.200 49.951 1.249 1
1 706 . 3 1 1 A 85 85 ALA CB C 85 23.800 21.864 1.936 1
1 707 . 3 1 1 A 85 85 ALA N N 85 122.500 125.847 -3.347 1
1 708 . 3 1 1 A 86 86 ASP H H 86 8.510 9.189 -0.679 1
1 709 . 3 1 1 A 86 86 ASP HA H 86 5.200 5.212 -0.012 1
1 712 . 3 1 1 A 86 86 ASP CA C 86 53.400 53.197 0.203 1
1 713 . 3 1 1 A 86 86 ASP CB C 86 43.100 43.723 -0.623 1
1 714 . 3 1 1 A 86 86 ASP N N 86 121.400 123.184 -1.784 1
1 715 . 3 1 1 A 87 87 ILE H H 87 7.970 8.759 -0.789 1
1 716 . 3 1 1 A 87 87 ILE HA H 87 5.370 5.316 0.054 1
1 726 . 3 1 1 A 87 87 ILE CA C 87 58.200 59.313 -1.113 1
1 727 . 3 1 1 A 87 87 ILE CB C 87 41.200 40.808 0.392 1
1 731 . 3 1 1 A 87 87 ILE N N 87 111.200 120.581 -9.381 1
1 732 . 3 1 1 A 88 88 TYR H H 88 8.750 9.692 -0.942 1
1 733 . 3 1 1 A 88 88 TYR HA H 88 5.440 5.406 0.034 1
1 740 . 3 1 1 A 88 88 TYR CA C 88 56.900 56.268 0.632 1
1 741 . 3 1 1 A 88 88 TYR CB C 88 44.000 43.277 0.723 1
1 744 . 3 1 1 A 88 88 TYR N N 88 118.000 121.809 -3.809 1
1 745 . 3 1 1 A 89 89 LYS H H 89 9.590 9.803 -0.213 1
1 746 . 3 1 1 A 89 89 LYS HA H 89 5.170 5.134 0.036 1
1 755 . 3 1 1 A 89 89 LYS CA C 89 54.400 54.204 0.196 1
1 756 . 3 1 1 A 89 89 LYS CB C 89 36.800 36.019 0.781 1
1 760 . 3 1 1 A 89 89 LYS N N 89 123.500 123.162 0.338 1
1 761 . 3 1 1 A 90 90 LYS H H 90 10.190 8.559 1.631 1
1 762 . 3 1 1 A 90 90 LYS HA H 90 3.810 3.411 0.399 1
1 771 . 3 1 1 A 90 90 LYS CA C 90 57.500 55.961 1.539 1
1 772 . 3 1 1 A 90 90 LYS CB C 90 32.700 33.046 -0.346 1
1 776 . 3 1 1 A 90 90 LYS N N 90 129.200 127.639 1.561 1
1 777 . 3 1 1 A 91 91 LYS H H 91 8.450 8.366 0.084 1
1 778 . 3 1 1 A 91 91 LYS HA H 91 4.100 4.425 -0.325 1
1 787 . 3 1 1 A 91 91 LYS CA C 91 57.300 55.852 1.448 1
1 788 . 3 1 1 A 91 91 LYS CB C 91 33.100 33.712 -0.612 1
1 792 . 3 1 1 A 91 91 LYS N N 91 125.900 126.001 -0.101 1
1 793 . 3 1 1 A 92 92 LEU H H 92 8.270 8.369 -0.099 1
1 794 . 3 1 1 A 92 92 LEU HA H 92 4.280 4.368 -0.088 1
1 804 . 3 1 1 A 92 92 LEU CA C 92 54.600 54.871 -0.271 1
1 805 . 3 1 1 A 92 92 LEU CB C 92 42.100 41.937 0.163 1
1 809 . 3 1 1 A 92 92 LEU N N 92 123.200 119.769 3.431 1
1 810 . 3 1 1 A 93 93 GLU H H 93 8.310 7.677 0.633 1
1 811 . 3 1 1 A 93 93 GLU HA H 93 4.220 4.388 -0.168 1
1 816 . 3 1 1 A 93 93 GLU CA C 93 55.700 55.614 0.086 1
1 817 . 3 1 1 A 93 93 GLU CB C 93 30.200 28.534 1.666 1
1 819 . 3 1 1 A 93 93 GLU N N 93 122.000 121.336 0.664 1
1 820 . 3 1 1 A 94 94 HIS H H 94 8.570 7.814 0.756 1
1 821 . 3 1 1 A 94 94 HIS HA H 94 4.630 5.114 -0.484 1
1 826 . 3 1 1 A 94 94 HIS CA C 94 55.000 54.890 0.110 1
1 827 . 3 1 1 A 94 94 HIS CB C 94 28.900 31.098 -2.198 1
1 830 . 3 1 1 A 94 94 HIS N N 94 119.700 120.921 -1.221 1
1 831 . 3 1 1 A 95 95 HIS H H 95 8.610 9.224 -0.614 1
1 832 . 3 1 1 A 95 95 HIS HA H 95 4.650 5.251 -0.601 1
1 837 . 3 1 1 A 95 95 HIS CA C 95 55.200 54.674 0.526 1
1 838 . 3 1 1 A 95 95 HIS CB C 95 28.900 31.447 -2.547 1
1 841 . 3 1 1 A 95 95 HIS N N 95 119.300 118.190 1.110 1
1 842 . 3 1 1 A 96 96 HIS H H 96 8.680 8.937 -0.257 1
1 843 . 3 1 1 A 96 96 HIS HA H 96 4.660 4.547 0.113 1
1 848 . 3 1 1 A 96 96 HIS CA C 96 55.200 57.526 -2.326 1
1 849 . 3 1 1 A 96 96 HIS CB C 96 29.100 30.654 -1.554 1
1 852 . 3 1 1 A 96 96 HIS N N 96 120.100 123.678 -3.578 1
1 853 . 3 1 1 A 97 97 HIS H H 97 8.580 8.477 0.103 1
1 854 . 3 1 1 A 97 97 HIS HA H 97 4.660 4.674 -0.014 1
1 859 . 3 1 1 A 97 97 HIS CA C 97 55.400 56.490 -1.090 1
1 860 . 3 1 1 A 97 97 HIS CB C 97 29.200 30.701 -1.501 1
1 863 . 3 1 1 A 97 97 HIS N N 97 120.400 126.370 -5.970 1
1 864 . 3 1 1 A 98 98 HIS H H 98 8.390 8.436 -0.046 1
1 865 . 3 1 1 A 98 98 HIS HA H 98 4.620 4.480 0.140 1
1 870 . 3 1 1 A 98 98 HIS CA C 98 55.500 56.399 -0.899 1
1 871 . 3 1 1 A 98 98 HIS CB C 98 29.100 29.894 -0.794 1
1 1 . 4 1 1 A 22 22 ALA HA H 22 4.130 4.570 -0.440 1
1 5 . 4 1 1 A 22 22 ALA CA C 22 50.900 53.351 -2.451 1
1 6 . 4 1 1 A 22 22 ALA CB C 22 20.200 19.269 0.931 1
1 7 . 4 1 1 A 23 23 GLU H H 23 7.920 8.646 -0.726 1
1 8 . 4 1 1 A 23 23 GLU HA H 23 4.710 4.946 -0.236 1
1 13 . 4 1 1 A 23 23 GLU CA C 23 54.300 54.737 -0.437 1
1 14 . 4 1 1 A 23 23 GLU CB C 23 32.500 33.555 -1.055 1
1 16 . 4 1 1 A 23 23 GLU N N 23 117.600 122.242 -4.642 1
1 17 . 4 1 1 A 24 24 ILE H H 24 8.870 8.319 0.551 1
1 18 . 4 1 1 A 24 24 ILE HA H 24 4.870 4.654 0.216 1
1 28 . 4 1 1 A 24 24 ILE CA C 24 60.200 60.020 0.180 1
1 29 . 4 1 1 A 24 24 ILE CB C 24 38.100 38.108 -0.008 1
1 33 . 4 1 1 A 24 24 ILE N N 24 123.800 125.042 -1.242 1
1 34 . 4 1 1 A 25 25 MET H H 25 8.720 8.728 -0.008 1
1 35 . 4 1 1 A 25 25 MET HA H 25 4.760 5.120 -0.360 1
1 40 . 4 1 1 A 25 25 MET CA C 25 54.300 54.071 0.229 1
1 41 . 4 1 1 A 25 25 MET CB C 25 37.100 37.049 0.051 1
1 43 . 4 1 1 A 25 25 MET N N 25 127.100 123.983 3.117 1
1 44 . 4 1 1 A 26 26 LYS H H 26 9.190 8.679 0.511 1
1 45 . 4 1 1 A 26 26 LYS HA H 26 4.320 4.288 0.032 1
1 54 . 4 1 1 A 26 26 LYS CA C 26 56.600 56.013 0.587 1
1 55 . 4 1 1 A 26 26 LYS CB C 26 32.900 33.106 -0.206 1
1 59 . 4 1 1 A 26 26 LYS N N 26 123.500 121.087 2.413 1
1 60 . 4 1 1 A 27 27 LYS H H 27 8.870 9.058 -0.188 1
1 61 . 4 1 1 A 27 27 LYS HA H 27 3.860 3.888 -0.028 1
1 70 . 4 1 1 A 27 27 LYS CA C 27 60.500 60.090 0.410 1
1 71 . 4 1 1 A 27 27 LYS CB C 27 32.400 32.293 0.107 1
1 75 . 4 1 1 A 27 27 LYS N N 27 126.200 124.368 1.832 1
1 76 . 4 1 1 A 28 28 THR H H 28 8.110 8.146 -0.036 1
1 77 . 4 1 1 A 28 28 THR HA H 28 4.130 3.868 0.262 1
1 82 . 4 1 1 A 28 28 THR CA C 28 64.600 67.326 -2.726 1
1 83 . 4 1 1 A 28 28 THR CB C 28 68.000 68.674 -0.674 1
1 85 . 4 1 1 A 28 28 THR N N 28 107.100 115.965 -8.865 1
1 86 . 4 1 1 A 29 29 ASP H H 29 6.770 8.232 -1.462 1
1 87 . 4 1 1 A 29 29 ASP HA H 29 4.580 4.323 0.257 1
1 90 . 4 1 1 A 29 29 ASP CA C 29 56.600 56.988 -0.388 1
1 91 . 4 1 1 A 29 29 ASP CB C 29 40.600 40.546 0.054 1
1 92 . 4 1 1 A 29 29 ASP N N 29 119.500 121.401 -1.901 1
1 93 . 4 1 1 A 30 30 PHE H H 30 8.630 8.722 -0.092 1
1 94 . 4 1 1 A 30 30 PHE HA H 30 3.930 3.962 -0.032 1
1 102 . 4 1 1 A 30 30 PHE CA C 30 60.800 60.449 0.351 1
1 103 . 4 1 1 A 30 30 PHE CB C 30 38.900 38.912 -0.012 1
1 107 . 4 1 1 A 30 30 PHE N N 30 123.300 120.357 2.943 1
1 108 . 4 1 1 A 31 31 ASP H H 31 8.650 8.421 0.229 1
1 109 . 4 1 1 A 31 31 ASP HA H 31 4.150 4.056 0.094 1
1 112 . 4 1 1 A 31 31 ASP CA C 31 57.000 57.250 -0.250 1
1 113 . 4 1 1 A 31 31 ASP CB C 31 39.800 41.411 -1.611 1
1 114 . 4 1 1 A 31 31 ASP N N 31 117.000 118.628 -1.628 1
1 115 . 4 1 1 A 32 32 LYS H H 32 6.930 7.565 -0.635 1
1 116 . 4 1 1 A 32 32 LYS HA H 32 4.110 4.100 0.010 1
1 125 . 4 1 1 A 32 32 LYS CA C 32 58.300 58.688 -0.388 1
1 126 . 4 1 1 A 32 32 LYS CB C 32 33.100 32.694 0.406 1
1 130 . 4 1 1 A 32 32 LYS N N 32 114.800 118.865 -4.065 1
1 131 . 4 1 1 A 33 33 VAL H H 33 7.400 7.917 -0.517 1
1 132 . 4 1 1 A 33 33 VAL HA H 33 4.620 3.985 0.635 1
1 140 . 4 1 1 A 33 33 VAL CA C 33 60.100 62.818 -2.718 1
1 141 . 4 1 1 A 33 33 VAL CB C 33 32.300 31.641 0.659 1
1 144 . 4 1 1 A 33 33 VAL N N 33 109.100 115.351 -6.251 1
1 145 . 4 1 1 A 34 34 ALA H H 34 6.710 7.703 -0.993 1
1 146 . 4 1 1 A 34 34 ALA HA H 34 3.010 3.540 -0.530 1
1 150 . 4 1 1 A 34 34 ALA CA C 34 55.100 54.453 0.647 1
1 151 . 4 1 1 A 34 34 ALA CB C 34 19.200 17.665 1.535 1
1 152 . 4 1 1 A 34 34 ALA N N 34 124.300 125.420 -1.120 1
1 153 . 4 1 1 A 35 35 SER H H 35 8.120 7.736 0.384 1
1 154 . 4 1 1 A 35 35 SER HA H 35 4.320 4.084 0.236 1
1 157 . 4 1 1 A 35 35 SER CA C 35 60.400 61.286 -0.886 1
1 158 . 4 1 1 A 35 35 SER CB C 35 62.400 62.992 -0.592 1
1 159 . 4 1 1 A 35 35 SER N N 35 110.400 112.995 -2.595 1
1 160 . 4 1 1 A 36 36 GLU H H 36 8.300 7.845 0.455 1
1 161 . 4 1 1 A 36 36 GLU HA H 36 4.270 4.416 -0.146 1
1 166 . 4 1 1 A 36 36 GLU CA C 36 55.700 56.404 -0.704 1
1 167 . 4 1 1 A 36 36 GLU CB C 36 28.900 30.559 -1.659 1
1 169 . 4 1 1 A 36 36 GLU N N 36 119.200 117.961 1.239 1
1 170 . 4 1 1 A 37 37 TYR H H 37 7.920 7.719 0.201 1
1 171 . 4 1 1 A 37 37 TYR HA H 37 5.150 5.103 0.047 1
1 178 . 4 1 1 A 37 37 TYR CA C 37 57.900 56.317 1.583 1
1 179 . 4 1 1 A 37 37 TYR CB C 37 44.100 42.773 1.327 1
1 182 . 4 1 1 A 37 37 TYR N N 37 117.200 119.319 -2.119 1
1 183 . 4 1 1 A 38 38 THR H H 38 9.480 9.062 0.418 1
1 184 . 4 1 1 A 38 38 THR HA H 38 4.840 5.098 -0.258 1
1 189 . 4 1 1 A 38 38 THR CA C 38 60.400 61.364 -0.964 1
1 190 . 4 1 1 A 38 38 THR CB C 38 71.200 72.027 -0.827 1
1 192 . 4 1 1 A 38 38 THR N N 38 115.400 116.073 -0.673 1
1 193 . 4 1 1 A 39 39 LYS H H 39 9.290 8.837 0.453 1
1 194 . 4 1 1 A 39 39 LYS HA H 39 3.880 4.009 -0.129 1
1 203 . 4 1 1 A 39 39 LYS CA C 39 57.500 56.856 0.644 1
1 204 . 4 1 1 A 39 39 LYS CB C 39 32.300 32.018 0.282 1
1 208 . 4 1 1 A 39 39 LYS N N 39 130.400 128.795 1.605 1
1 209 . 4 1 1 A 40 40 ILE H H 40 8.820 8.756 0.064 1
1 210 . 4 1 1 A 40 40 ILE HA H 40 4.550 4.443 0.107 1
1 220 . 4 1 1 A 40 40 ILE CA C 40 60.900 61.150 -0.250 1
1 221 . 4 1 1 A 40 40 ILE CB C 40 39.200 38.835 0.365 1
1 225 . 4 1 1 A 40 40 ILE N N 40 121.900 122.199 -0.299 1
1 226 . 4 1 1 A 41 41 GLY H H 41 7.130 7.192 -0.062 1
1 227 . 4 1 1 A 41 41 GLY HA2 H 41 3.950 3.985 -0.035 1
1 228 . 4 1 1 A 41 41 GLY HA3 H 41 4.260 4.001 0.259 1
1 229 . 4 1 1 A 41 41 GLY CA C 41 45.100 45.216 -0.116 1
1 230 . 4 1 1 A 41 41 GLY N N 41 107.400 108.813 -1.413 1
1 231 . 4 1 1 A 42 42 THR H H 42 8.210 8.271 -0.061 1
1 232 . 4 1 1 A 42 42 THR HA H 42 5.230 5.052 0.178 1
1 237 . 4 1 1 A 42 42 THR CA C 42 60.900 61.447 -0.547 1
1 238 . 4 1 1 A 42 42 THR CB C 42 72.300 70.932 1.368 1
1 240 . 4 1 1 A 42 42 THR N N 42 115.100 115.402 -0.302 1
1 241 . 4 1 1 A 43 43 ILE H H 43 9.130 9.247 -0.117 1
1 242 . 4 1 1 A 43 43 ILE HA H 43 4.790 5.137 -0.347 1
1 252 . 4 1 1 A 43 43 ILE CA C 43 59.400 59.024 0.376 1
1 253 . 4 1 1 A 43 43 ILE CB C 43 42.600 41.577 1.023 1
1 257 . 4 1 1 A 43 43 ILE N N 43 118.000 122.082 -4.082 1
1 258 . 4 1 1 A 44 44 SER H H 44 8.330 8.588 -0.258 1
1 259 . 4 1 1 A 44 44 SER HA H 44 5.250 5.229 0.021 1
1 262 . 4 1 1 A 44 44 SER CA C 44 56.700 57.371 -0.671 1
1 263 . 4 1 1 A 44 44 SER CB C 44 66.000 66.482 -0.482 1
1 264 . 4 1 1 A 44 44 SER N N 44 113.300 115.700 -2.400 1
1 265 . 4 1 1 A 45 45 THR H H 45 8.380 8.666 -0.286 1
1 266 . 4 1 1 A 45 45 THR HA H 45 4.550 5.196 -0.646 1
1 271 . 4 1 1 A 45 45 THR CA C 45 60.900 60.079 0.821 1
1 272 . 4 1 1 A 45 45 THR CB C 45 70.000 71.396 -1.396 1
1 274 . 4 1 1 A 45 45 THR N N 45 113.300 111.118 2.182 1
1 275 . 4 1 1 A 46 46 THR H H 46 8.540 8.714 -0.174 1
1 276 . 4 1 1 A 46 46 THR HA H 46 4.400 5.030 -0.630 1
1 281 . 4 1 1 A 46 46 THR CA C 46 62.000 61.232 0.768 1
1 282 . 4 1 1 A 46 46 THR CB C 46 69.300 70.909 -1.609 1
1 284 . 4 1 1 A 46 46 THR N N 46 117.700 117.572 0.128 1
1 285 . 4 1 1 A 47 47 GLY H H 47 8.320 7.894 0.426 1
1 286 . 4 1 1 A 47 47 GLY HA2 H 47 3.890 4.261 -0.371 1
1 287 . 4 1 1 A 47 47 GLY HA3 H 47 3.980 4.270 -0.290 1
1 288 . 4 1 1 A 47 47 GLY CA C 47 44.800 46.218 -1.418 1
1 289 . 4 1 1 A 47 47 GLY N N 47 111.700 111.913 -0.213 1
1 290 . 4 1 1 A 48 48 GLU H H 48 8.430 8.875 -0.445 1
1 291 . 4 1 1 A 48 48 GLU HA H 48 4.390 5.120 -0.730 1
1 296 . 4 1 1 A 48 48 GLU CA C 48 55.600 55.281 0.319 1
1 297 . 4 1 1 A 48 48 GLU CB C 48 29.400 31.910 -2.510 1
1 299 . 4 1 1 A 48 48 GLU N N 48 120.100 119.141 0.959 1
1 300 . 4 1 1 A 49 49 MET H H 49 8.390 8.628 -0.238 1
1 301 . 4 1 1 A 49 49 MET HA H 49 4.700 5.164 -0.464 1
1 306 . 4 1 1 A 49 49 MET CA C 49 55.000 53.918 1.082 1
1 307 . 4 1 1 A 49 49 MET CB C 49 35.900 37.559 -1.659 1
1 309 . 4 1 1 A 49 49 MET N N 49 120.000 124.291 -4.291 1
1 310 . 4 1 1 A 50 50 SER H H 50 9.020 8.539 0.481 1
1 311 . 4 1 1 A 50 50 SER HA H 50 4.780 4.582 0.198 1
1 314 . 4 1 1 A 50 50 SER CA C 50 57.700 57.386 0.314 1
1 315 . 4 1 1 A 50 50 SER CB C 50 62.600 62.504 0.096 1
1 316 . 4 1 1 A 50 50 SER N N 50 117.900 116.350 1.550 1
1 317 . 4 1 1 A 51 51 PRO HA H 51 4.240 4.307 -0.067 1
1 324 . 4 1 1 A 51 51 PRO CA C 51 66.000 65.895 0.105 1
1 325 . 4 1 1 A 51 51 PRO CB C 51 31.800 31.817 -0.017 1
1 328 . 4 1 1 A 52 52 LEU H H 52 8.160 7.526 0.634 1
1 329 . 4 1 1 A 52 52 LEU HA H 52 4.110 4.057 0.053 1
1 339 . 4 1 1 A 52 52 LEU CA C 52 57.900 57.051 0.849 1
1 340 . 4 1 1 A 52 52 LEU CB C 52 41.400 42.319 -0.919 1
1 344 . 4 1 1 A 52 52 LEU N N 52 117.600 116.713 0.887 1
1 345 . 4 1 1 A 53 53 ASP H H 53 7.510 8.248 -0.738 1
1 346 . 4 1 1 A 53 53 ASP HA H 53 4.420 4.358 0.062 1
1 349 . 4 1 1 A 53 53 ASP CA C 53 56.600 57.833 -1.233 1
1 350 . 4 1 1 A 53 53 ASP CB C 53 39.800 41.090 -1.290 1
1 351 . 4 1 1 A 53 53 ASP N N 53 119.900 119.092 0.808 1
1 352 . 4 1 1 A 54 54 ALA H H 54 8.800 8.615 0.185 1
1 353 . 4 1 1 A 54 54 ALA HA H 54 4.210 4.109 0.101 1
1 357 . 4 1 1 A 54 54 ALA CA C 54 54.700 54.953 -0.253 1
1 358 . 4 1 1 A 54 54 ALA CB C 54 18.200 18.281 -0.081 1
1 359 . 4 1 1 A 54 54 ALA N N 54 123.400 121.750 1.650 1
1 360 . 4 1 1 A 55 55 ARG H H 55 7.860 7.611 0.249 1
1 361 . 4 1 1 A 55 55 ARG HA H 55 3.730 4.031 -0.301 1
1 368 . 4 1 1 A 55 55 ARG CA C 55 60.200 59.707 0.493 1
1 369 . 4 1 1 A 55 55 ARG CB C 55 30.100 30.048 0.052 1
1 372 . 4 1 1 A 55 55 ARG N N 55 117.100 117.641 -0.541 1
1 373 . 4 1 1 A 56 56 GLU H H 56 7.630 8.534 -0.904 1
1 374 . 4 1 1 A 56 56 GLU HA H 56 4.000 4.022 -0.022 1
1 379 . 4 1 1 A 56 56 GLU CA C 56 58.800 59.629 -0.829 1
1 380 . 4 1 1 A 56 56 GLU CB C 56 28.300 28.988 -0.688 1
1 382 . 4 1 1 A 56 56 GLU N N 56 115.900 119.971 -4.071 1
1 383 . 4 1 1 A 57 57 ASP H H 57 8.120 8.289 -0.169 1
1 384 . 4 1 1 A 57 57 ASP HA H 57 4.380 4.401 -0.021 1
1 387 . 4 1 1 A 57 57 ASP CA C 57 57.400 57.190 0.210 1
1 388 . 4 1 1 A 57 57 ASP CB C 57 42.500 41.257 1.243 1
1 389 . 4 1 1 A 57 57 ASP N N 57 120.200 119.570 0.630 1
1 390 . 4 1 1 A 58 58 LEU H H 58 8.160 8.162 -0.002 1
1 391 . 4 1 1 A 58 58 LEU HA H 58 3.860 3.997 -0.137 1
1 401 . 4 1 1 A 58 58 LEU CA C 58 57.500 58.008 -0.508 1
1 402 . 4 1 1 A 58 58 LEU CB C 58 41.400 42.170 -0.770 1
1 406 . 4 1 1 A 58 58 LEU N N 58 117.300 119.939 -2.639 1
1 407 . 4 1 1 A 59 59 ILE H H 59 8.020 8.622 -0.602 1
1 408 . 4 1 1 A 59 59 ILE HA H 59 3.300 3.488 -0.188 1
1 418 . 4 1 1 A 59 59 ILE CA C 59 65.700 66.004 -0.304 1
1 419 . 4 1 1 A 59 59 ILE CB C 59 37.500 38.109 -0.609 1
1 423 . 4 1 1 A 59 59 ILE N N 59 118.600 119.041 -0.441 1
1 424 . 4 1 1 A 60 60 LYS H H 60 7.890 8.432 -0.542 1
1 425 . 4 1 1 A 60 60 LYS HA H 60 4.090 4.059 0.031 1
1 434 . 4 1 1 A 60 60 LYS CA C 60 59.800 59.818 -0.018 1
1 435 . 4 1 1 A 60 60 LYS CB C 60 31.900 32.160 -0.260 1
1 439 . 4 1 1 A 60 60 LYS N N 60 119.400 118.955 0.445 1
1 440 . 4 1 1 A 61 61 LYS H H 61 8.080 7.900 0.180 1
1 441 . 4 1 1 A 61 61 LYS HA H 61 3.980 4.081 -0.101 1
1 450 . 4 1 1 A 61 61 LYS CA C 61 59.200 59.027 0.173 1
1 451 . 4 1 1 A 61 61 LYS CB C 61 33.500 32.303 1.197 1
1 455 . 4 1 1 A 61 61 LYS N N 61 119.200 119.941 -0.741 1
1 456 . 4 1 1 A 62 62 ALA H H 62 8.490 8.099 0.391 1
1 457 . 4 1 1 A 62 62 ALA HA H 62 3.770 4.078 -0.308 1
1 461 . 4 1 1 A 62 62 ALA CA C 62 54.900 55.062 -0.162 1
1 462 . 4 1 1 A 62 62 ALA CB C 62 19.100 18.247 0.853 1
1 463 . 4 1 1 A 62 62 ALA N N 62 122.200 121.707 0.493 1
1 464 . 4 1 1 A 63 63 ASP H H 63 8.850 8.562 0.288 1
1 465 . 4 1 1 A 63 63 ASP HA H 63 4.590 4.462 0.128 1
1 468 . 4 1 1 A 63 63 ASP CA C 63 56.900 57.899 -0.999 1
1 469 . 4 1 1 A 63 63 ASP CB C 63 39.000 42.546 -3.546 1
1 470 . 4 1 1 A 63 63 ASP N N 63 120.200 118.325 1.875 1
1 471 . 4 1 1 A 64 64 GLU H H 64 8.050 8.287 -0.237 1
1 472 . 4 1 1 A 64 64 GLU HA H 64 4.070 3.688 0.382 1
1 477 . 4 1 1 A 64 64 GLU CA C 64 58.800 59.108 -0.308 1
1 478 . 4 1 1 A 64 64 GLU CB C 64 29.000 29.436 -0.436 1
1 480 . 4 1 1 A 64 64 GLU N N 64 121.300 119.035 2.265 1
1 481 . 4 1 1 A 65 65 LYS H H 65 7.180 7.958 -0.778 1
1 482 . 4 1 1 A 65 65 LYS HA H 65 4.310 4.281 0.029 1
1 491 . 4 1 1 A 65 65 LYS CA C 65 54.800 57.176 -2.376 1
1 492 . 4 1 1 A 65 65 LYS CB C 65 33.000 33.337 -0.337 1
1 496 . 4 1 1 A 65 65 LYS N N 65 115.600 118.101 -2.501 1
1 497 . 4 1 1 A 66 66 GLY H H 66 7.870 7.610 0.260 1
1 498 . 4 1 1 A 66 66 GLY HA2 H 66 3.860 4.048 -0.188 1
1 499 . 4 1 1 A 66 66 GLY HA3 H 66 3.980 4.077 -0.097 1
1 500 . 4 1 1 A 66 66 GLY CA C 66 45.700 46.022 -0.322 1
1 501 . 4 1 1 A 66 66 GLY N N 66 107.500 107.437 0.063 1
1 502 . 4 1 1 A 67 67 ALA H H 67 7.920 7.472 0.448 1
1 503 . 4 1 1 A 67 67 ALA HA H 67 4.020 4.624 -0.604 1
1 507 . 4 1 1 A 67 67 ALA CA C 67 51.700 50.811 0.889 1
1 508 . 4 1 1 A 67 67 ALA CB C 67 21.100 20.692 0.408 1
1 509 . 4 1 1 A 67 67 ALA N N 67 118.900 122.603 -3.703 1
1 510 . 4 1 1 A 68 68 ASP H H 68 8.790 9.210 -0.420 1
1 511 . 4 1 1 A 68 68 ASP HA H 68 5.070 4.789 0.281 1
1 514 . 4 1 1 A 68 68 ASP CA C 68 56.500 55.669 0.831 1
1 515 . 4 1 1 A 68 68 ASP CB C 68 44.900 42.490 2.410 1
1 516 . 4 1 1 A 68 68 ASP N N 68 116.500 121.728 -5.228 1
1 517 . 4 1 1 A 69 69 VAL H H 69 8.070 8.102 -0.032 1
1 518 . 4 1 1 A 69 69 VAL HA H 69 5.130 5.000 0.130 1
1 526 . 4 1 1 A 69 69 VAL CA C 69 60.300 60.653 -0.353 1
1 527 . 4 1 1 A 69 69 VAL CB C 69 37.400 35.355 2.045 1
1 530 . 4 1 1 A 69 69 VAL N N 69 118.400 117.090 1.310 1
1 531 . 4 1 1 A 70 70 VAL H H 70 8.720 9.215 -0.495 1
1 532 . 4 1 1 A 70 70 VAL HA H 70 4.550 5.008 -0.458 1
1 540 . 4 1 1 A 70 70 VAL CA C 70 59.800 59.294 0.506 1
1 541 . 4 1 1 A 70 70 VAL CB C 70 34.200 34.991 -0.791 1
1 544 . 4 1 1 A 70 70 VAL N N 70 127.300 121.619 5.681 1
1 545 . 4 1 1 A 71 71 VAL H H 71 8.890 8.816 0.074 1
1 546 . 4 1 1 A 71 71 VAL HA H 71 4.550 4.548 0.002 1
1 554 . 4 1 1 A 71 71 VAL CA C 71 60.800 60.413 0.387 1
1 555 . 4 1 1 A 71 71 VAL CB C 71 34.000 34.738 -0.738 1
1 558 . 4 1 1 A 71 71 VAL N N 71 126.700 122.283 4.417 1
1 559 . 4 1 1 A 72 72 LEU H H 72 8.800 8.717 0.083 1
1 560 . 4 1 1 A 72 72 LEU HA H 72 4.440 4.486 -0.046 1
1 570 . 4 1 1 A 72 72 LEU CA C 72 55.700 54.501 1.199 1
1 571 . 4 1 1 A 72 72 LEU CB C 72 41.500 41.172 0.328 1
1 575 . 4 1 1 A 72 72 LEU N N 72 127.400 128.123 -0.723 1
1 576 . 4 1 1 A 73 73 THR H H 73 8.630 8.362 0.268 1
1 577 . 4 1 1 A 73 73 THR HA H 73 4.430 4.231 0.199 1
1 582 . 4 1 1 A 73 73 THR CA C 73 61.500 61.812 -0.312 1
1 583 . 4 1 1 A 73 73 THR CB C 73 69.400 69.159 0.241 1
1 585 . 4 1 1 A 73 73 THR N N 73 114.000 117.012 -3.012 1
1 586 . 4 1 1 A 74 74 SER H H 74 8.130 7.299 0.831 1
1 587 . 4 1 1 A 74 74 SER HA H 74 4.540 4.226 0.314 1
1 590 . 4 1 1 A 74 74 SER CA C 74 58.000 60.009 -2.009 1
1 591 . 4 1 1 A 74 74 SER CB C 74 63.800 63.511 0.289 1
1 592 . 4 1 1 A 74 74 SER N N 74 116.000 120.233 -4.233 1
1 593 . 4 1 1 A 75 75 GLY H H 75 8.570 8.379 0.191 1
1 594 . 4 1 1 A 75 75 GLY HA2 H 75 4.040 4.182 -0.142 1
1 595 . 4 1 1 A 75 75 GLY HA3 H 75 4.040 4.187 -0.147 1
1 596 . 4 1 1 A 75 75 GLY CA C 75 45.100 45.756 -0.656 1
1 597 . 4 1 1 A 75 75 GLY N N 75 109.800 112.759 -2.959 1
1 598 . 4 1 1 A 76 76 GLN H H 76 8.390 8.544 -0.154 1
1 599 . 4 1 1 A 76 76 GLN HA H 76 4.490 4.595 -0.105 1
1 606 . 4 1 1 A 76 76 GLN CA C 76 55.900 56.689 -0.789 1
1 607 . 4 1 1 A 76 76 GLN CB C 76 29.600 30.464 -0.864 1
1 609 . 4 1 1 A 76 76 GLN N N 76 119.200 121.033 -1.833 1
1 611 . 4 1 1 A 77 77 THR H H 77 8.100 7.616 0.484 1
1 612 . 4 1 1 A 77 77 THR HA H 77 4.420 4.613 -0.193 1
1 617 . 4 1 1 A 77 77 THR CA C 77 61.300 61.292 0.008 1
1 618 . 4 1 1 A 77 77 THR CB C 77 69.700 71.470 -1.770 1
1 620 . 4 1 1 A 77 77 THR N N 77 113.000 109.911 3.089 1
1 621 . 4 1 1 A 78 78 GLU H H 78 8.450 9.032 -0.582 1
1 622 . 4 1 1 A 78 78 GLU HA H 78 4.250 3.973 0.277 1
1 627 . 4 1 1 A 78 78 GLU CA C 78 56.900 60.568 -3.668 1
1 628 . 4 1 1 A 78 78 GLU CB C 78 29.500 29.695 -0.195 1
1 630 . 4 1 1 A 78 78 GLU N N 78 120.700 127.884 -7.184 1
1 631 . 4 1 1 A 79 79 ASN H H 79 8.320 8.173 0.147 1
1 632 . 4 1 1 A 79 79 ASN HA H 79 4.600 4.564 0.036 1
1 637 . 4 1 1 A 79 79 ASN CA C 79 53.700 55.960 -2.260 1
1 638 . 4 1 1 A 79 79 ASN CB C 79 38.600 38.560 0.040 1
1 639 . 4 1 1 A 79 79 ASN N N 79 117.000 118.225 -1.225 1
1 641 . 4 1 1 A 80 80 LYS H H 80 7.910 7.709 0.201 1
1 642 . 4 1 1 A 80 80 LYS HA H 80 4.300 4.551 -0.251 1
1 651 . 4 1 1 A 80 80 LYS CA C 80 56.000 55.275 0.725 1
1 652 . 4 1 1 A 80 80 LYS CB C 80 33.300 32.566 0.734 1
1 656 . 4 1 1 A 80 80 LYS N N 80 118.800 113.407 5.393 1
1 657 . 4 1 1 A 81 81 ILE H H 81 8.340 7.111 1.229 1
1 658 . 4 1 1 A 81 81 ILE HA H 81 4.300 4.058 0.242 1
1 668 . 4 1 1 A 81 81 ILE CA C 81 60.500 61.767 -1.267 1
1 669 . 4 1 1 A 81 81 ILE CB C 81 39.800 38.509 1.291 1
1 673 . 4 1 1 A 81 81 ILE N N 81 119.600 117.620 1.980 1
1 674 . 4 1 1 A 82 82 HIS H H 82 8.470 8.809 -0.339 1
1 675 . 4 1 1 A 82 82 HIS HA H 82 4.780 5.572 -0.792 1
1 680 . 4 1 1 A 82 82 HIS CA C 82 54.700 54.310 0.390 1
1 681 . 4 1 1 A 82 82 HIS CB C 82 28.900 30.010 -1.110 1
1 684 . 4 1 1 A 82 82 HIS N N 82 121.600 127.186 -5.586 1
1 685 . 4 1 1 A 83 83 GLY H H 83 8.340 8.059 0.281 1
1 686 . 4 1 1 A 83 83 GLY HA2 H 83 3.690 3.990 -0.300 1
1 687 . 4 1 1 A 83 83 GLY HA3 H 83 4.190 4.043 0.147 1
1 688 . 4 1 1 A 83 83 GLY CA C 83 45.000 44.263 0.737 1
1 689 . 4 1 1 A 83 83 GLY N N 83 111.600 112.196 -0.596 1
1 690 . 4 1 1 A 84 84 THR H H 84 8.120 8.529 -0.409 1
1 691 . 4 1 1 A 84 84 THR HA H 84 5.030 5.519 -0.489 1
1 696 . 4 1 1 A 84 84 THR CA C 84 60.100 59.547 0.553 1
1 697 . 4 1 1 A 84 84 THR CB C 84 72.000 72.171 -0.171 1
1 699 . 4 1 1 A 84 84 THR N N 84 112.300 111.154 1.146 1
1 700 . 4 1 1 A 85 85 ALA H H 85 8.840 9.169 -0.329 1
1 701 . 4 1 1 A 85 85 ALA HA H 85 4.950 5.240 -0.290 1
1 705 . 4 1 1 A 85 85 ALA CA C 85 51.200 50.973 0.227 1
1 706 . 4 1 1 A 85 85 ALA CB C 85 23.800 22.635 1.165 1
1 707 . 4 1 1 A 85 85 ALA N N 85 122.500 122.388 0.112 1
1 708 . 4 1 1 A 86 86 ASP H H 86 8.510 9.227 -0.717 1
1 709 . 4 1 1 A 86 86 ASP HA H 86 5.200 5.338 -0.138 1
1 712 . 4 1 1 A 86 86 ASP CA C 86 53.400 52.929 0.471 1
1 713 . 4 1 1 A 86 86 ASP CB C 86 43.100 44.139 -1.039 1
1 714 . 4 1 1 A 86 86 ASP N N 86 121.400 123.217 -1.817 1
1 715 . 4 1 1 A 87 87 ILE H H 87 7.970 8.987 -1.017 1
1 716 . 4 1 1 A 87 87 ILE HA H 87 5.370 5.252 0.118 1
1 726 . 4 1 1 A 87 87 ILE CA C 87 58.200 59.334 -1.134 1
1 727 . 4 1 1 A 87 87 ILE CB C 87 41.200 41.055 0.145 1
1 731 . 4 1 1 A 87 87 ILE N N 87 111.200 120.544 -9.344 1
1 732 . 4 1 1 A 88 88 TYR H H 88 8.750 9.711 -0.961 1
1 733 . 4 1 1 A 88 88 TYR HA H 88 5.440 5.303 0.137 1
1 740 . 4 1 1 A 88 88 TYR CA C 88 56.900 56.360 0.540 1
1 741 . 4 1 1 A 88 88 TYR CB C 88 44.000 43.428 0.572 1
1 744 . 4 1 1 A 88 88 TYR N N 88 118.000 121.479 -3.479 1
1 745 . 4 1 1 A 89 89 LYS H H 89 9.590 9.514 0.076 1
1 746 . 4 1 1 A 89 89 LYS HA H 89 5.170 5.023 0.147 1
1 755 . 4 1 1 A 89 89 LYS CA C 89 54.400 54.903 -0.503 1
1 756 . 4 1 1 A 89 89 LYS CB C 89 36.800 34.964 1.836 1
1 760 . 4 1 1 A 89 89 LYS N N 89 123.500 119.810 3.690 1
1 761 . 4 1 1 A 90 90 LYS H H 90 10.190 8.403 1.787 1
1 762 . 4 1 1 A 90 90 LYS HA H 90 3.810 3.189 0.621 1
1 771 . 4 1 1 A 90 90 LYS CA C 90 57.500 55.634 1.866 1
1 772 . 4 1 1 A 90 90 LYS CB C 90 32.700 32.964 -0.264 1
1 776 . 4 1 1 A 90 90 LYS N N 90 129.200 123.393 5.807 1
1 777 . 4 1 1 A 91 91 LYS H H 91 8.450 8.450 0.000 1
1 778 . 4 1 1 A 91 91 LYS HA H 91 4.100 4.462 -0.362 1
1 787 . 4 1 1 A 91 91 LYS CA C 91 57.300 55.233 2.067 1
1 788 . 4 1 1 A 91 91 LYS CB C 91 33.100 33.715 -0.615 1
1 792 . 4 1 1 A 91 91 LYS N N 91 125.900 125.402 0.498 1
1 793 . 4 1 1 A 92 92 LEU H H 92 8.270 8.304 -0.034 1
1 794 . 4 1 1 A 92 92 LEU HA H 92 4.280 4.444 -0.164 1
1 804 . 4 1 1 A 92 92 LEU CA C 92 54.600 54.401 0.199 1
1 805 . 4 1 1 A 92 92 LEU CB C 92 42.100 42.240 -0.140 1
1 809 . 4 1 1 A 92 92 LEU N N 92 123.200 119.045 4.155 1
1 810 . 4 1 1 A 93 93 GLU H H 93 8.310 7.604 0.706 1
1 811 . 4 1 1 A 93 93 GLU HA H 93 4.220 4.738 -0.518 1
1 816 . 4 1 1 A 93 93 GLU CA C 93 55.700 55.095 0.605 1
1 817 . 4 1 1 A 93 93 GLU CB C 93 30.200 30.933 -0.733 1
1 819 . 4 1 1 A 93 93 GLU N N 93 122.000 119.336 2.664 1
1 820 . 4 1 1 A 94 94 HIS H H 94 8.570 9.064 -0.494 1
1 821 . 4 1 1 A 94 94 HIS HA H 94 4.630 4.905 -0.275 1
1 826 . 4 1 1 A 94 94 HIS CA C 94 55.000 55.772 -0.772 1
1 827 . 4 1 1 A 94 94 HIS CB C 94 28.900 30.019 -1.119 1
1 830 . 4 1 1 A 94 94 HIS N N 94 119.700 123.435 -3.735 1
1 831 . 4 1 1 A 95 95 HIS H H 95 8.610 8.987 -0.377 1
1 832 . 4 1 1 A 95 95 HIS HA H 95 4.650 4.673 -0.023 1
1 837 . 4 1 1 A 95 95 HIS CA C 95 55.200 55.985 -0.785 1
1 838 . 4 1 1 A 95 95 HIS CB C 95 28.900 29.668 -0.768 1
1 841 . 4 1 1 A 95 95 HIS N N 95 119.300 125.433 -6.133 1
1 842 . 4 1 1 A 96 96 HIS H H 96 8.680 8.095 0.585 1
1 843 . 4 1 1 A 96 96 HIS HA H 96 4.660 4.204 0.456 1
1 848 . 4 1 1 A 96 96 HIS CA C 96 55.200 56.790 -1.590 1
1 849 . 4 1 1 A 96 96 HIS CB C 96 29.100 28.328 0.772 1
1 852 . 4 1 1 A 96 96 HIS N N 96 120.100 118.375 1.725 1
1 853 . 4 1 1 A 97 97 HIS H H 97 8.580 8.330 0.250 1
1 854 . 4 1 1 A 97 97 HIS HA H 97 4.660 4.498 0.162 1
1 859 . 4 1 1 A 97 97 HIS CA C 97 55.400 56.743 -1.343 1
1 860 . 4 1 1 A 97 97 HIS CB C 97 29.200 31.508 -2.308 1
1 863 . 4 1 1 A 97 97 HIS N N 97 120.400 125.182 -4.782 1
1 864 . 4 1 1 A 98 98 HIS H H 98 8.390 7.466 0.924 1
1 865 . 4 1 1 A 98 98 HIS HA H 98 4.620 4.473 0.147 1
1 870 . 4 1 1 A 98 98 HIS CA C 98 55.500 56.969 -1.469 1
1 871 . 4 1 1 A 98 98 HIS CB C 98 29.100 31.090 -1.990 1
1 1 . 5 1 1 A 22 22 ALA HA H 22 4.130 5.334 -1.204 1
1 5 . 5 1 1 A 22 22 ALA CA C 22 50.900 50.977 -0.077 1
1 6 . 5 1 1 A 22 22 ALA CB C 22 20.200 20.180 0.020 1
1 7 . 5 1 1 A 23 23 GLU H H 23 7.920 9.535 -1.615 1
1 8 . 5 1 1 A 23 23 GLU HA H 23 4.710 4.885 -0.175 1
1 13 . 5 1 1 A 23 23 GLU CA C 23 54.300 55.036 -0.736 1
1 14 . 5 1 1 A 23 23 GLU CB C 23 32.500 33.003 -0.503 1
1 16 . 5 1 1 A 23 23 GLU N N 23 117.600 123.721 -6.121 1
1 17 . 5 1 1 A 24 24 ILE H H 24 8.870 8.284 0.586 1
1 18 . 5 1 1 A 24 24 ILE HA H 24 4.870 4.773 0.097 1
1 28 . 5 1 1 A 24 24 ILE CA C 24 60.200 60.163 0.037 1
1 29 . 5 1 1 A 24 24 ILE CB C 24 38.100 39.665 -1.565 1
1 33 . 5 1 1 A 24 24 ILE N N 24 123.800 121.545 2.255 1
1 34 . 5 1 1 A 25 25 MET H H 25 8.720 8.934 -0.214 1
1 35 . 5 1 1 A 25 25 MET HA H 25 4.760 5.112 -0.352 1
1 40 . 5 1 1 A 25 25 MET CA C 25 54.300 54.202 0.098 1
1 41 . 5 1 1 A 25 25 MET CB C 25 37.100 37.419 -0.319 1
1 43 . 5 1 1 A 25 25 MET N N 25 127.100 125.114 1.986 1
1 44 . 5 1 1 A 26 26 LYS H H 26 9.190 8.613 0.577 1
1 45 . 5 1 1 A 26 26 LYS HA H 26 4.320 4.545 -0.225 1
1 54 . 5 1 1 A 26 26 LYS CA C 26 56.600 55.460 1.140 1
1 55 . 5 1 1 A 26 26 LYS CB C 26 32.900 33.683 -0.783 1
1 59 . 5 1 1 A 26 26 LYS N N 26 123.500 120.948 2.552 1
1 60 . 5 1 1 A 27 27 LYS H H 27 8.870 8.925 -0.055 1
1 61 . 5 1 1 A 27 27 LYS HA H 27 3.860 4.115 -0.255 1
1 70 . 5 1 1 A 27 27 LYS CA C 27 60.500 59.082 1.418 1
1 71 . 5 1 1 A 27 27 LYS CB C 27 32.400 31.832 0.568 1
1 75 . 5 1 1 A 27 27 LYS N N 27 126.200 123.643 2.557 1
1 76 . 5 1 1 A 28 28 THR H H 28 8.110 8.254 -0.144 1
1 77 . 5 1 1 A 28 28 THR HA H 28 4.130 4.003 0.127 1
1 82 . 5 1 1 A 28 28 THR CA C 28 64.600 65.707 -1.107 1
1 83 . 5 1 1 A 28 28 THR CB C 28 68.000 68.266 -0.266 1
1 85 . 5 1 1 A 28 28 THR N N 28 107.100 114.892 -7.792 1
1 86 . 5 1 1 A 29 29 ASP H H 29 6.770 8.277 -1.507 1
1 87 . 5 1 1 A 29 29 ASP HA H 29 4.580 4.275 0.305 1
1 90 . 5 1 1 A 29 29 ASP CA C 29 56.600 57.255 -0.655 1
1 91 . 5 1 1 A 29 29 ASP CB C 29 40.600 40.017 0.583 1
1 92 . 5 1 1 A 29 29 ASP N N 29 119.500 122.780 -3.280 1
1 93 . 5 1 1 A 30 30 PHE H H 30 8.630 8.322 0.308 1
1 94 . 5 1 1 A 30 30 PHE HA H 30 3.930 3.884 0.046 1
1 102 . 5 1 1 A 30 30 PHE CA C 30 60.800 61.060 -0.260 1
1 103 . 5 1 1 A 30 30 PHE CB C 30 38.900 39.001 -0.101 1
1 107 . 5 1 1 A 30 30 PHE N N 30 123.300 122.572 0.728 1
1 108 . 5 1 1 A 31 31 ASP H H 31 8.650 8.386 0.264 1
1 109 . 5 1 1 A 31 31 ASP HA H 31 4.150 3.863 0.287 1
1 112 . 5 1 1 A 31 31 ASP CA C 31 57.000 57.140 -0.140 1
1 113 . 5 1 1 A 31 31 ASP CB C 31 39.800 41.274 -1.474 1
1 114 . 5 1 1 A 31 31 ASP N N 31 117.000 118.723 -1.723 1
1 115 . 5 1 1 A 32 32 LYS H H 32 6.930 7.403 -0.473 1
1 116 . 5 1 1 A 32 32 LYS HA H 32 4.110 4.082 0.028 1
1 125 . 5 1 1 A 32 32 LYS CA C 32 58.300 58.493 -0.193 1
1 126 . 5 1 1 A 32 32 LYS CB C 32 33.100 32.434 0.666 1
1 130 . 5 1 1 A 32 32 LYS N N 32 114.800 118.497 -3.697 1
1 131 . 5 1 1 A 33 33 VAL H H 33 7.400 7.877 -0.477 1
1 132 . 5 1 1 A 33 33 VAL HA H 33 4.620 3.900 0.720 1
1 140 . 5 1 1 A 33 33 VAL CA C 33 60.100 63.836 -3.736 1
1 141 . 5 1 1 A 33 33 VAL CB C 33 32.300 31.195 1.105 1
1 144 . 5 1 1 A 33 33 VAL N N 33 109.100 116.241 -7.141 1
1 145 . 5 1 1 A 34 34 ALA H H 34 6.710 8.532 -1.822 1
1 146 . 5 1 1 A 34 34 ALA HA H 34 3.010 3.982 -0.972 1
1 150 . 5 1 1 A 34 34 ALA CA C 34 55.100 54.542 0.558 1
1 151 . 5 1 1 A 34 34 ALA CB C 34 19.200 17.904 1.296 1
1 152 . 5 1 1 A 34 34 ALA N N 34 124.300 124.782 -0.482 1
1 153 . 5 1 1 A 35 35 SER H H 35 8.120 8.249 -0.129 1
1 154 . 5 1 1 A 35 35 SER HA H 35 4.320 4.106 0.214 1
1 157 . 5 1 1 A 35 35 SER CA C 35 60.400 61.127 -0.727 1
1 158 . 5 1 1 A 35 35 SER CB C 35 62.400 63.097 -0.697 1
1 159 . 5 1 1 A 35 35 SER N N 35 110.400 113.033 -2.633 1
1 160 . 5 1 1 A 36 36 GLU H H 36 8.300 8.420 -0.120 1
1 161 . 5 1 1 A 36 36 GLU HA H 36 4.270 4.681 -0.411 1
1 166 . 5 1 1 A 36 36 GLU CA C 36 55.700 56.236 -0.536 1
1 167 . 5 1 1 A 36 36 GLU CB C 36 28.900 30.933 -2.033 1
1 169 . 5 1 1 A 36 36 GLU N N 36 119.200 117.635 1.565 1
1 170 . 5 1 1 A 37 37 TYR H H 37 7.920 7.653 0.267 1
1 171 . 5 1 1 A 37 37 TYR HA H 37 5.150 5.559 -0.409 1
1 178 . 5 1 1 A 37 37 TYR CA C 37 57.900 56.559 1.341 1
1 179 . 5 1 1 A 37 37 TYR CB C 37 44.100 42.961 1.139 1
1 182 . 5 1 1 A 37 37 TYR N N 37 117.200 119.298 -2.098 1
1 183 . 5 1 1 A 38 38 THR H H 38 9.480 9.213 0.267 1
1 184 . 5 1 1 A 38 38 THR HA H 38 4.840 5.065 -0.225 1
1 189 . 5 1 1 A 38 38 THR CA C 38 60.400 61.420 -1.020 1
1 190 . 5 1 1 A 38 38 THR CB C 38 71.200 72.483 -1.283 1
1 192 . 5 1 1 A 38 38 THR N N 38 115.400 116.080 -0.680 1
1 193 . 5 1 1 A 39 39 LYS H H 39 9.290 9.111 0.179 1
1 194 . 5 1 1 A 39 39 LYS HA H 39 3.880 4.629 -0.749 1
1 203 . 5 1 1 A 39 39 LYS CA C 39 57.500 56.953 0.547 1
1 204 . 5 1 1 A 39 39 LYS CB C 39 32.300 32.453 -0.153 1
1 208 . 5 1 1 A 39 39 LYS N N 39 130.400 129.212 1.188 1
1 209 . 5 1 1 A 40 40 ILE H H 40 8.820 8.368 0.452 1
1 210 . 5 1 1 A 40 40 ILE HA H 40 4.550 4.473 0.077 1
1 220 . 5 1 1 A 40 40 ILE CA C 40 60.900 61.434 -0.534 1
1 221 . 5 1 1 A 40 40 ILE CB C 40 39.200 38.729 0.471 1
1 225 . 5 1 1 A 40 40 ILE N N 40 121.900 122.751 -0.851 1
1 226 . 5 1 1 A 41 41 GLY H H 41 7.130 7.269 -0.139 1
1 227 . 5 1 1 A 41 41 GLY HA2 H 41 3.950 4.024 -0.074 1
1 228 . 5 1 1 A 41 41 GLY HA3 H 41 4.260 4.025 0.235 1
1 229 . 5 1 1 A 41 41 GLY CA C 41 45.100 45.111 -0.011 1
1 230 . 5 1 1 A 41 41 GLY N N 41 107.400 108.975 -1.575 1
1 231 . 5 1 1 A 42 42 THR H H 42 8.210 8.301 -0.091 1
1 232 . 5 1 1 A 42 42 THR HA H 42 5.230 4.933 0.297 1
1 237 . 5 1 1 A 42 42 THR CA C 42 60.900 61.287 -0.387 1
1 238 . 5 1 1 A 42 42 THR CB C 42 72.300 71.014 1.286 1
1 240 . 5 1 1 A 42 42 THR N N 42 115.100 115.751 -0.651 1
1 241 . 5 1 1 A 43 43 ILE H H 43 9.130 9.346 -0.216 1
1 242 . 5 1 1 A 43 43 ILE HA H 43 4.790 5.196 -0.406 1
1 252 . 5 1 1 A 43 43 ILE CA C 43 59.400 58.947 0.453 1
1 253 . 5 1 1 A 43 43 ILE CB C 43 42.600 42.447 0.153 1
1 257 . 5 1 1 A 43 43 ILE N N 43 118.000 119.488 -1.488 1
1 258 . 5 1 1 A 44 44 SER H H 44 8.330 8.772 -0.442 1
1 259 . 5 1 1 A 44 44 SER HA H 44 5.250 4.786 0.464 1
1 262 . 5 1 1 A 44 44 SER CA C 44 56.700 56.460 0.240 1
1 263 . 5 1 1 A 44 44 SER CB C 44 66.000 64.936 1.064 1
1 264 . 5 1 1 A 44 44 SER N N 44 113.300 117.003 -3.703 1
1 265 . 5 1 1 A 45 45 THR H H 45 8.380 8.274 0.106 1
1 266 . 5 1 1 A 45 45 THR HA H 45 4.550 5.036 -0.486 1
1 271 . 5 1 1 A 45 45 THR CA C 45 60.900 60.060 0.840 1
1 272 . 5 1 1 A 45 45 THR CB C 45 70.000 70.440 -0.440 1
1 274 . 5 1 1 A 45 45 THR N N 45 113.300 114.207 -0.907 1
1 275 . 5 1 1 A 46 46 THR H H 46 8.540 8.741 -0.201 1
1 276 . 5 1 1 A 46 46 THR HA H 46 4.400 5.068 -0.668 1
1 281 . 5 1 1 A 46 46 THR CA C 46 62.000 60.803 1.197 1
1 282 . 5 1 1 A 46 46 THR CB C 46 69.300 70.568 -1.268 1
1 284 . 5 1 1 A 46 46 THR N N 46 117.700 118.415 -0.715 1
1 285 . 5 1 1 A 47 47 GLY H H 47 8.320 8.345 -0.025 1
1 286 . 5 1 1 A 47 47 GLY HA2 H 47 3.890 4.218 -0.328 1
1 287 . 5 1 1 A 47 47 GLY HA3 H 47 3.980 4.218 -0.238 1
1 288 . 5 1 1 A 47 47 GLY CA C 47 44.800 45.214 -0.414 1
1 289 . 5 1 1 A 47 47 GLY N N 47 111.700 112.069 -0.369 1
1 290 . 5 1 1 A 48 48 GLU H H 48 8.430 8.575 -0.145 1
1 291 . 5 1 1 A 48 48 GLU HA H 48 4.390 4.983 -0.593 1
1 296 . 5 1 1 A 48 48 GLU CA C 48 55.600 55.423 0.177 1
1 297 . 5 1 1 A 48 48 GLU CB C 48 29.400 32.525 -3.125 1
1 299 . 5 1 1 A 48 48 GLU N N 48 120.100 119.767 0.333 1
1 300 . 5 1 1 A 49 49 MET H H 49 8.390 8.811 -0.421 1
1 301 . 5 1 1 A 49 49 MET HA H 49 4.700 5.127 -0.427 1
1 306 . 5 1 1 A 49 49 MET CA C 49 55.000 53.961 1.039 1
1 307 . 5 1 1 A 49 49 MET CB C 49 35.900 37.625 -1.725 1
1 309 . 5 1 1 A 49 49 MET N N 49 120.000 123.536 -3.536 1
1 310 . 5 1 1 A 50 50 SER H H 50 9.020 8.794 0.226 1
1 311 . 5 1 1 A 50 50 SER HA H 50 4.780 4.802 -0.022 1
1 314 . 5 1 1 A 50 50 SER CA C 50 57.700 56.797 0.903 1
1 315 . 5 1 1 A 50 50 SER CB C 50 62.600 63.462 -0.862 1
1 316 . 5 1 1 A 50 50 SER N N 50 117.900 115.056 2.844 1
1 317 . 5 1 1 A 51 51 PRO HA H 51 4.240 4.307 -0.067 1
1 324 . 5 1 1 A 51 51 PRO CA C 51 66.000 65.867 0.133 1
1 325 . 5 1 1 A 51 51 PRO CB C 51 31.800 31.674 0.126 1
1 328 . 5 1 1 A 52 52 LEU H H 52 8.160 7.728 0.432 1
1 329 . 5 1 1 A 52 52 LEU HA H 52 4.110 4.000 0.110 1
1 339 . 5 1 1 A 52 52 LEU CA C 52 57.900 57.428 0.472 1
1 340 . 5 1 1 A 52 52 LEU CB C 52 41.400 41.058 0.342 1
1 344 . 5 1 1 A 52 52 LEU N N 52 117.600 116.936 0.664 1
1 345 . 5 1 1 A 53 53 ASP H H 53 7.510 8.269 -0.759 1
1 346 . 5 1 1 A 53 53 ASP HA H 53 4.420 4.356 0.064 1
1 349 . 5 1 1 A 53 53 ASP CA C 53 56.600 57.060 -0.460 1
1 350 . 5 1 1 A 53 53 ASP CB C 53 39.800 40.062 -0.262 1
1 351 . 5 1 1 A 53 53 ASP N N 53 119.900 119.804 0.096 1
1 352 . 5 1 1 A 54 54 ALA H H 54 8.800 8.589 0.211 1
1 353 . 5 1 1 A 54 54 ALA HA H 54 4.210 4.018 0.192 1
1 357 . 5 1 1 A 54 54 ALA CA C 54 54.700 55.051 -0.351 1
1 358 . 5 1 1 A 54 54 ALA CB C 54 18.200 18.119 0.081 1
1 359 . 5 1 1 A 54 54 ALA N N 54 123.400 122.189 1.211 1
1 360 . 5 1 1 A 55 55 ARG H H 55 7.860 8.003 -0.143 1
1 361 . 5 1 1 A 55 55 ARG HA H 55 3.730 3.998 -0.268 1
1 368 . 5 1 1 A 55 55 ARG CA C 55 60.200 59.734 0.466 1
1 369 . 5 1 1 A 55 55 ARG CB C 55 30.100 30.068 0.032 1
1 372 . 5 1 1 A 55 55 ARG N N 55 117.100 117.557 -0.457 1
1 373 . 5 1 1 A 56 56 GLU H H 56 7.630 8.124 -0.494 1
1 374 . 5 1 1 A 56 56 GLU HA H 56 4.000 4.015 -0.015 1
1 379 . 5 1 1 A 56 56 GLU CA C 56 58.800 59.556 -0.756 1
1 380 . 5 1 1 A 56 56 GLU CB C 56 28.300 29.286 -0.986 1
1 382 . 5 1 1 A 56 56 GLU N N 56 115.900 119.884 -3.984 1
1 383 . 5 1 1 A 57 57 ASP H H 57 8.120 7.994 0.126 1
1 384 . 5 1 1 A 57 57 ASP HA H 57 4.380 4.365 0.015 1
1 387 . 5 1 1 A 57 57 ASP CA C 57 57.400 57.323 0.077 1
1 388 . 5 1 1 A 57 57 ASP CB C 57 42.500 41.372 1.128 1
1 389 . 5 1 1 A 57 57 ASP N N 57 120.200 119.478 0.722 1
1 390 . 5 1 1 A 58 58 LEU H H 58 8.160 7.989 0.171 1
1 391 . 5 1 1 A 58 58 LEU HA H 58 3.860 3.997 -0.137 1
1 401 . 5 1 1 A 58 58 LEU CA C 58 57.500 57.960 -0.460 1
1 402 . 5 1 1 A 58 58 LEU CB C 58 41.400 42.050 -0.650 1
1 406 . 5 1 1 A 58 58 LEU N N 58 117.300 119.915 -2.615 1
1 407 . 5 1 1 A 59 59 ILE H H 59 8.020 8.593 -0.573 1
1 408 . 5 1 1 A 59 59 ILE HA H 59 3.300 3.472 -0.172 1
1 418 . 5 1 1 A 59 59 ILE CA C 59 65.700 65.745 -0.045 1
1 419 . 5 1 1 A 59 59 ILE CB C 59 37.500 37.998 -0.498 1
1 423 . 5 1 1 A 59 59 ILE N N 59 118.600 119.325 -0.725 1
1 424 . 5 1 1 A 60 60 LYS H H 60 7.890 8.067 -0.177 1
1 425 . 5 1 1 A 60 60 LYS HA H 60 4.090 4.034 0.056 1
1 434 . 5 1 1 A 60 60 LYS CA C 60 59.800 59.714 0.086 1
1 435 . 5 1 1 A 60 60 LYS CB C 60 31.900 32.236 -0.336 1
1 439 . 5 1 1 A 60 60 LYS N N 60 119.400 119.030 0.370 1
1 440 . 5 1 1 A 61 61 LYS H H 61 8.080 8.033 0.047 1
1 441 . 5 1 1 A 61 61 LYS HA H 61 3.980 4.060 -0.080 1
1 450 . 5 1 1 A 61 61 LYS CA C 61 59.200 58.869 0.331 1
1 451 . 5 1 1 A 61 61 LYS CB C 61 33.500 32.292 1.208 1
1 455 . 5 1 1 A 61 61 LYS N N 61 119.200 120.214 -1.014 1
1 456 . 5 1 1 A 62 62 ALA H H 62 8.490 8.083 0.407 1
1 457 . 5 1 1 A 62 62 ALA HA H 62 3.770 4.051 -0.281 1
1 461 . 5 1 1 A 62 62 ALA CA C 62 54.900 55.124 -0.224 1
1 462 . 5 1 1 A 62 62 ALA CB C 62 19.100 17.902 1.198 1
1 463 . 5 1 1 A 62 62 ALA N N 62 122.200 121.302 0.898 1
1 464 . 5 1 1 A 63 63 ASP H H 63 8.850 8.355 0.495 1
1 465 . 5 1 1 A 63 63 ASP HA H 63 4.590 4.339 0.251 1
1 468 . 5 1 1 A 63 63 ASP CA C 63 56.900 57.833 -0.933 1
1 469 . 5 1 1 A 63 63 ASP CB C 63 39.000 42.038 -3.038 1
1 470 . 5 1 1 A 63 63 ASP N N 63 120.200 118.438 1.762 1
1 471 . 5 1 1 A 64 64 GLU H H 64 8.050 8.349 -0.299 1
1 472 . 5 1 1 A 64 64 GLU HA H 64 4.070 3.946 0.124 1
1 477 . 5 1 1 A 64 64 GLU CA C 64 58.800 59.085 -0.285 1
1 478 . 5 1 1 A 64 64 GLU CB C 64 29.000 29.280 -0.280 1
1 480 . 5 1 1 A 64 64 GLU N N 64 121.300 118.994 2.306 1
1 481 . 5 1 1 A 65 65 LYS H H 65 7.180 7.437 -0.257 1
1 482 . 5 1 1 A 65 65 LYS HA H 65 4.310 4.285 0.025 1
1 491 . 5 1 1 A 65 65 LYS CA C 65 54.800 57.037 -2.237 1
1 492 . 5 1 1 A 65 65 LYS CB C 65 33.000 33.193 -0.193 1
1 496 . 5 1 1 A 65 65 LYS N N 65 115.600 117.691 -2.091 1
1 497 . 5 1 1 A 66 66 GLY H H 66 7.870 7.680 0.190 1
1 498 . 5 1 1 A 66 66 GLY HA2 H 66 3.860 3.673 0.187 1
1 499 . 5 1 1 A 66 66 GLY HA3 H 66 3.980 3.755 0.225 1
1 500 . 5 1 1 A 66 66 GLY CA C 66 45.700 45.927 -0.227 1
1 501 . 5 1 1 A 66 66 GLY N N 66 107.500 107.623 -0.123 1
1 502 . 5 1 1 A 67 67 ALA H H 67 7.920 8.153 -0.233 1
1 503 . 5 1 1 A 67 67 ALA HA H 67 4.020 4.583 -0.563 1
1 507 . 5 1 1 A 67 67 ALA CA C 67 51.700 51.507 0.193 1
1 508 . 5 1 1 A 67 67 ALA CB C 67 21.100 19.864 1.236 1
1 509 . 5 1 1 A 67 67 ALA N N 67 118.900 122.782 -3.882 1
1 510 . 5 1 1 A 68 68 ASP H H 68 8.790 8.661 0.129 1
1 511 . 5 1 1 A 68 68 ASP HA H 68 5.070 4.921 0.149 1
1 514 . 5 1 1 A 68 68 ASP CA C 68 56.500 57.255 -0.755 1
1 515 . 5 1 1 A 68 68 ASP CB C 68 44.900 43.133 1.767 1
1 516 . 5 1 1 A 68 68 ASP N N 68 116.500 122.347 -5.847 1
1 517 . 5 1 1 A 69 69 VAL H H 69 8.070 8.373 -0.303 1
1 518 . 5 1 1 A 69 69 VAL HA H 69 5.130 5.117 0.013 1
1 526 . 5 1 1 A 69 69 VAL CA C 69 60.300 60.741 -0.441 1
1 527 . 5 1 1 A 69 69 VAL CB C 69 37.400 35.556 1.844 1
1 530 . 5 1 1 A 69 69 VAL N N 69 118.400 118.050 0.350 1
1 531 . 5 1 1 A 70 70 VAL H H 70 8.720 9.251 -0.531 1
1 532 . 5 1 1 A 70 70 VAL HA H 70 4.550 5.026 -0.476 1
1 540 . 5 1 1 A 70 70 VAL CA C 70 59.800 59.344 0.456 1
1 541 . 5 1 1 A 70 70 VAL CB C 70 34.200 34.740 -0.540 1
1 544 . 5 1 1 A 70 70 VAL N N 70 127.300 121.796 5.504 1
1 545 . 5 1 1 A 71 71 VAL H H 71 8.890 9.088 -0.198 1
1 546 . 5 1 1 A 71 71 VAL HA H 71 4.550 4.670 -0.120 1
1 554 . 5 1 1 A 71 71 VAL CA C 71 60.800 60.989 -0.189 1
1 555 . 5 1 1 A 71 71 VAL CB C 71 34.000 33.658 0.342 1
1 558 . 5 1 1 A 71 71 VAL N N 71 126.700 122.839 3.861 1
1 559 . 5 1 1 A 72 72 LEU H H 72 8.800 8.735 0.065 1
1 560 . 5 1 1 A 72 72 LEU HA H 72 4.440 4.450 -0.010 1
1 570 . 5 1 1 A 72 72 LEU CA C 72 55.700 54.435 1.265 1
1 571 . 5 1 1 A 72 72 LEU CB C 72 41.500 40.273 1.227 1
1 575 . 5 1 1 A 72 72 LEU N N 72 127.400 128.720 -1.320 1
1 576 . 5 1 1 A 73 73 THR H H 73 8.630 8.197 0.433 1
1 577 . 5 1 1 A 73 73 THR HA H 73 4.430 4.149 0.281 1
1 582 . 5 1 1 A 73 73 THR CA C 73 61.500 64.656 -3.156 1
1 583 . 5 1 1 A 73 73 THR CB C 73 69.400 69.778 -0.378 1
1 585 . 5 1 1 A 73 73 THR N N 73 114.000 116.440 -2.440 1
1 586 . 5 1 1 A 74 74 SER H H 74 8.130 8.137 -0.007 1
1 587 . 5 1 1 A 74 74 SER HA H 74 4.540 4.240 0.300 1
1 590 . 5 1 1 A 74 74 SER CA C 74 58.000 60.630 -2.630 1
1 591 . 5 1 1 A 74 74 SER CB C 74 63.800 61.870 1.930 1
1 592 . 5 1 1 A 74 74 SER N N 74 116.000 114.121 1.879 1
1 593 . 5 1 1 A 75 75 GLY H H 75 8.570 8.515 0.055 1
1 594 . 5 1 1 A 75 75 GLY HA2 H 75 4.040 4.043 -0.003 1
1 595 . 5 1 1 A 75 75 GLY HA3 H 75 4.040 4.063 -0.023 1
1 596 . 5 1 1 A 75 75 GLY CA C 75 45.100 46.226 -1.126 1
1 597 . 5 1 1 A 75 75 GLY N N 75 109.800 111.168 -1.368 1
1 598 . 5 1 1 A 76 76 GLN H H 76 8.390 8.102 0.288 1
1 599 . 5 1 1 A 76 76 GLN HA H 76 4.490 4.503 -0.013 1
1 606 . 5 1 1 A 76 76 GLN CA C 76 55.900 55.385 0.515 1
1 607 . 5 1 1 A 76 76 GLN CB C 76 29.600 30.835 -1.235 1
1 609 . 5 1 1 A 76 76 GLN N N 76 119.200 123.571 -4.371 1
1 611 . 5 1 1 A 77 77 THR H H 77 8.100 7.662 0.438 1
1 612 . 5 1 1 A 77 77 THR HA H 77 4.420 4.593 -0.173 1
1 617 . 5 1 1 A 77 77 THR CA C 77 61.300 61.233 0.067 1
1 618 . 5 1 1 A 77 77 THR CB C 77 69.700 71.388 -1.688 1
1 620 . 5 1 1 A 77 77 THR N N 77 113.000 113.079 -0.079 1
1 621 . 5 1 1 A 78 78 GLU H H 78 8.450 9.092 -0.642 1
1 622 . 5 1 1 A 78 78 GLU HA H 78 4.250 4.246 0.004 1
1 627 . 5 1 1 A 78 78 GLU CA C 78 56.900 58.376 -1.476 1
1 628 . 5 1 1 A 78 78 GLU CB C 78 29.500 29.306 0.194 1
1 630 . 5 1 1 A 78 78 GLU N N 78 120.700 127.703 -7.003 1
1 631 . 5 1 1 A 79 79 ASN H H 79 8.320 7.738 0.582 1
1 632 . 5 1 1 A 79 79 ASN HA H 79 4.600 4.336 0.264 1
1 637 . 5 1 1 A 79 79 ASN CA C 79 53.700 56.682 -2.982 1
1 638 . 5 1 1 A 79 79 ASN CB C 79 38.600 38.998 -0.398 1
1 639 . 5 1 1 A 79 79 ASN N N 79 117.000 119.862 -2.862 1
1 641 . 5 1 1 A 80 80 LYS H H 80 7.910 7.292 0.618 1
1 642 . 5 1 1 A 80 80 LYS HA H 80 4.300 4.288 0.012 1
1 651 . 5 1 1 A 80 80 LYS CA C 80 56.000 55.365 0.635 1
1 652 . 5 1 1 A 80 80 LYS CB C 80 33.300 31.848 1.452 1
1 656 . 5 1 1 A 80 80 LYS N N 80 118.800 114.797 4.003 1
1 657 . 5 1 1 A 81 81 ILE H H 81 8.340 8.055 0.285 1
1 658 . 5 1 1 A 81 81 ILE HA H 81 4.300 3.967 0.333 1
1 668 . 5 1 1 A 81 81 ILE CA C 81 60.500 63.437 -2.937 1
1 669 . 5 1 1 A 81 81 ILE CB C 81 39.800 36.702 3.098 1
1 673 . 5 1 1 A 81 81 ILE N N 81 119.600 115.816 3.784 1
1 674 . 5 1 1 A 82 82 HIS H H 82 8.470 8.893 -0.423 1
1 675 . 5 1 1 A 82 82 HIS HA H 82 4.780 4.185 0.595 1
1 680 . 5 1 1 A 82 82 HIS CA C 82 54.700 56.666 -1.966 1
1 681 . 5 1 1 A 82 82 HIS CB C 82 28.900 27.955 0.945 1
1 684 . 5 1 1 A 82 82 HIS N N 82 121.600 122.443 -0.843 1
1 685 . 5 1 1 A 83 83 GLY H H 83 8.340 8.226 0.114 1
1 686 . 5 1 1 A 83 83 GLY HA2 H 83 3.690 3.881 -0.191 1
1 687 . 5 1 1 A 83 83 GLY HA3 H 83 4.190 3.904 0.286 1
1 688 . 5 1 1 A 83 83 GLY CA C 83 45.000 44.804 0.196 1
1 689 . 5 1 1 A 83 83 GLY N N 83 111.600 113.035 -1.435 1
1 690 . 5 1 1 A 84 84 THR H H 84 8.120 8.616 -0.496 1
1 691 . 5 1 1 A 84 84 THR HA H 84 5.030 5.059 -0.029 1
1 696 . 5 1 1 A 84 84 THR CA C 84 60.100 60.691 -0.591 1
1 697 . 5 1 1 A 84 84 THR CB C 84 72.000 72.472 -0.472 1
1 699 . 5 1 1 A 84 84 THR N N 84 112.300 118.828 -6.528 1
1 700 . 5 1 1 A 85 85 ALA H H 85 8.840 8.922 -0.082 1
1 701 . 5 1 1 A 85 85 ALA HA H 85 4.950 5.275 -0.325 1
1 705 . 5 1 1 A 85 85 ALA CA C 85 51.200 51.329 -0.129 1
1 706 . 5 1 1 A 85 85 ALA CB C 85 23.800 22.726 1.074 1
1 707 . 5 1 1 A 85 85 ALA N N 85 122.500 124.174 -1.674 1
1 708 . 5 1 1 A 86 86 ASP H H 86 8.510 8.917 -0.407 1
1 709 . 5 1 1 A 86 86 ASP HA H 86 5.200 5.014 0.186 1
1 712 . 5 1 1 A 86 86 ASP CA C 86 53.400 53.426 -0.026 1
1 713 . 5 1 1 A 86 86 ASP CB C 86 43.100 41.843 1.257 1
1 714 . 5 1 1 A 86 86 ASP N N 86 121.400 122.793 -1.393 1
1 715 . 5 1 1 A 87 87 ILE H H 87 7.970 8.450 -0.480 1
1 716 . 5 1 1 A 87 87 ILE HA H 87 5.370 4.918 0.452 1
1 726 . 5 1 1 A 87 87 ILE CA C 87 58.200 59.001 -0.801 1
1 727 . 5 1 1 A 87 87 ILE CB C 87 41.200 40.467 0.733 1
1 731 . 5 1 1 A 87 87 ILE N N 87 111.200 119.156 -7.956 1
1 732 . 5 1 1 A 88 88 TYR H H 88 8.750 9.567 -0.817 1
1 733 . 5 1 1 A 88 88 TYR HA H 88 5.440 5.598 -0.158 1
1 740 . 5 1 1 A 88 88 TYR CA C 88 56.900 56.226 0.674 1
1 741 . 5 1 1 A 88 88 TYR CB C 88 44.000 43.149 0.851 1
1 744 . 5 1 1 A 88 88 TYR N N 88 118.000 121.729 -3.729 1
1 745 . 5 1 1 A 89 89 LYS H H 89 9.590 9.369 0.221 1
1 746 . 5 1 1 A 89 89 LYS HA H 89 5.170 5.330 -0.160 1
1 755 . 5 1 1 A 89 89 LYS CA C 89 54.400 54.761 -0.361 1
1 756 . 5 1 1 A 89 89 LYS CB C 89 36.800 35.305 1.495 1
1 760 . 5 1 1 A 89 89 LYS N N 89 123.500 119.987 3.513 1
1 761 . 5 1 1 A 90 90 LYS H H 90 10.190 8.757 1.433 1
1 762 . 5 1 1 A 90 90 LYS HA H 90 3.810 3.830 -0.020 1
1 771 . 5 1 1 A 90 90 LYS CA C 90 57.500 55.746 1.754 1
1 772 . 5 1 1 A 90 90 LYS CB C 90 32.700 33.040 -0.340 1
1 776 . 5 1 1 A 90 90 LYS N N 90 129.200 122.588 6.612 1
1 777 . 5 1 1 A 91 91 LYS H H 91 8.450 9.286 -0.836 1
1 778 . 5 1 1 A 91 91 LYS HA H 91 4.100 4.603 -0.503 1
1 787 . 5 1 1 A 91 91 LYS CA C 91 57.300 55.271 2.029 1
1 788 . 5 1 1 A 91 91 LYS CB C 91 33.100 34.341 -1.241 1
1 792 . 5 1 1 A 91 91 LYS N N 91 125.900 125.717 0.183 1
1 793 . 5 1 1 A 92 92 LEU H H 92 8.270 8.353 -0.083 1
1 794 . 5 1 1 A 92 92 LEU HA H 92 4.280 4.577 -0.297 1
1 804 . 5 1 1 A 92 92 LEU CA C 92 54.600 55.338 -0.738 1
1 805 . 5 1 1 A 92 92 LEU CB C 92 42.100 43.191 -1.091 1
1 809 . 5 1 1 A 92 92 LEU N N 92 123.200 120.595 2.605 1
1 810 . 5 1 1 A 93 93 GLU H H 93 8.310 7.867 0.443 1
1 811 . 5 1 1 A 93 93 GLU HA H 93 4.220 4.463 -0.243 1
1 816 . 5 1 1 A 93 93 GLU CA C 93 55.700 55.858 -0.158 1
1 817 . 5 1 1 A 93 93 GLU CB C 93 30.200 30.282 -0.082 1
1 819 . 5 1 1 A 93 93 GLU N N 93 122.000 120.617 1.383 1
1 820 . 5 1 1 A 94 94 HIS H H 94 8.570 8.283 0.287 1
1 821 . 5 1 1 A 94 94 HIS HA H 94 4.630 5.499 -0.869 1
1 826 . 5 1 1 A 94 94 HIS CA C 94 55.000 53.853 1.147 1
1 827 . 5 1 1 A 94 94 HIS CB C 94 28.900 33.095 -4.195 1
1 830 . 5 1 1 A 94 94 HIS N N 94 119.700 120.751 -1.051 1
1 831 . 5 1 1 A 95 95 HIS H H 95 8.610 9.011 -0.401 1
1 832 . 5 1 1 A 95 95 HIS HA H 95 4.650 4.735 -0.085 1
1 837 . 5 1 1 A 95 95 HIS CA C 95 55.200 56.174 -0.974 1
1 838 . 5 1 1 A 95 95 HIS CB C 95 28.900 31.058 -2.158 1
1 841 . 5 1 1 A 95 95 HIS N N 95 119.300 118.396 0.904 1
1 842 . 5 1 1 A 96 96 HIS H H 96 8.680 7.889 0.791 1
1 843 . 5 1 1 A 96 96 HIS HA H 96 4.660 4.066 0.594 1
1 848 . 5 1 1 A 96 96 HIS CA C 96 55.200 56.686 -1.486 1
1 849 . 5 1 1 A 96 96 HIS CB C 96 29.100 28.087 1.013 1
1 852 . 5 1 1 A 96 96 HIS N N 96 120.100 118.312 1.788 1
1 853 . 5 1 1 A 97 97 HIS H H 97 8.580 7.750 0.830 1
1 854 . 5 1 1 A 97 97 HIS HA H 97 4.660 4.351 0.309 1
1 859 . 5 1 1 A 97 97 HIS CA C 97 55.400 55.874 -0.474 1
1 860 . 5 1 1 A 97 97 HIS CB C 97 29.200 29.700 -0.500 1
1 863 . 5 1 1 A 97 97 HIS N N 97 120.400 120.398 0.002 1
1 864 . 5 1 1 A 98 98 HIS H H 98 8.390 8.871 -0.481 1
1 865 . 5 1 1 A 98 98 HIS HA H 98 4.620 4.780 -0.160 1
1 870 . 5 1 1 A 98 98 HIS CA C 98 55.500 54.030 1.470 1
1 871 . 5 1 1 A 98 98 HIS CB C 98 29.100 29.184 -0.084 1
1 1 . 6 1 1 A 22 22 ALA HA H 22 4.130 4.042 0.088 1
1 5 . 6 1 1 A 22 22 ALA CA C 22 50.900 52.739 -1.839 1
1 6 . 6 1 1 A 22 22 ALA CB C 22 20.200 17.806 2.394 1
1 7 . 6 1 1 A 23 23 GLU H H 23 7.920 8.371 -0.451 1
1 8 . 6 1 1 A 23 23 GLU HA H 23 4.710 4.833 -0.123 1
1 13 . 6 1 1 A 23 23 GLU CA C 23 54.300 54.692 -0.392 1
1 14 . 6 1 1 A 23 23 GLU CB C 23 32.500 33.379 -0.879 1
1 16 . 6 1 1 A 23 23 GLU N N 23 117.600 118.764 -1.164 1
1 17 . 6 1 1 A 24 24 ILE H H 24 8.870 8.395 0.475 1
1 18 . 6 1 1 A 24 24 ILE HA H 24 4.870 4.436 0.434 1
1 28 . 6 1 1 A 24 24 ILE CA C 24 60.200 60.456 -0.256 1
1 29 . 6 1 1 A 24 24 ILE CB C 24 38.100 37.948 0.152 1
1 33 . 6 1 1 A 24 24 ILE N N 24 123.800 124.225 -0.425 1
1 34 . 6 1 1 A 25 25 MET H H 25 8.720 8.483 0.237 1
1 35 . 6 1 1 A 25 25 MET HA H 25 4.760 5.005 -0.245 1
1 40 . 6 1 1 A 25 25 MET CA C 25 54.300 54.384 -0.084 1
1 41 . 6 1 1 A 25 25 MET CB C 25 37.100 35.792 1.308 1
1 43 . 6 1 1 A 25 25 MET N N 25 127.100 128.289 -1.189 1
1 44 . 6 1 1 A 26 26 LYS H H 26 9.190 8.605 0.585 1
1 45 . 6 1 1 A 26 26 LYS HA H 26 4.320 4.243 0.077 1
1 54 . 6 1 1 A 26 26 LYS CA C 26 56.600 57.048 -0.448 1
1 55 . 6 1 1 A 26 26 LYS CB C 26 32.900 32.946 -0.046 1
1 59 . 6 1 1 A 26 26 LYS N N 26 123.500 124.026 -0.526 1
1 60 . 6 1 1 A 27 27 LYS H H 27 8.870 8.779 0.091 1
1 61 . 6 1 1 A 27 27 LYS HA H 27 3.860 3.993 -0.133 1
1 70 . 6 1 1 A 27 27 LYS CA C 27 60.500 60.175 0.325 1
1 71 . 6 1 1 A 27 27 LYS CB C 27 32.400 32.300 0.100 1
1 75 . 6 1 1 A 27 27 LYS N N 27 126.200 122.766 3.434 1
1 76 . 6 1 1 A 28 28 THR H H 28 8.110 8.087 0.023 1
1 77 . 6 1 1 A 28 28 THR HA H 28 4.130 3.933 0.197 1
1 82 . 6 1 1 A 28 28 THR CA C 28 64.600 67.253 -2.653 1
1 83 . 6 1 1 A 28 28 THR CB C 28 68.000 68.125 -0.125 1
1 85 . 6 1 1 A 28 28 THR N N 28 107.100 118.565 -11.465 1
1 86 . 6 1 1 A 29 29 ASP H H 29 6.770 8.218 -1.448 1
1 87 . 6 1 1 A 29 29 ASP HA H 29 4.580 4.388 0.192 1
1 90 . 6 1 1 A 29 29 ASP CA C 29 56.600 57.289 -0.689 1
1 91 . 6 1 1 A 29 29 ASP CB C 29 40.600 40.486 0.114 1
1 92 . 6 1 1 A 29 29 ASP N N 29 119.500 122.430 -2.930 1
1 93 . 6 1 1 A 30 30 PHE H H 30 8.630 9.133 -0.503 1
1 94 . 6 1 1 A 30 30 PHE HA H 30 3.930 3.935 -0.005 1
1 102 . 6 1 1 A 30 30 PHE CA C 30 60.800 61.301 -0.501 1
1 103 . 6 1 1 A 30 30 PHE CB C 30 38.900 39.033 -0.133 1
1 107 . 6 1 1 A 30 30 PHE N N 30 123.300 121.919 1.381 1
1 108 . 6 1 1 A 31 31 ASP H H 31 8.650 8.460 0.190 1
1 109 . 6 1 1 A 31 31 ASP HA H 31 4.150 3.919 0.231 1
1 112 . 6 1 1 A 31 31 ASP CA C 31 57.000 57.202 -0.202 1
1 113 . 6 1 1 A 31 31 ASP CB C 31 39.800 41.521 -1.721 1
1 114 . 6 1 1 A 31 31 ASP N N 31 117.000 118.865 -1.865 1
1 115 . 6 1 1 A 32 32 LYS H H 32 6.930 7.386 -0.456 1
1 116 . 6 1 1 A 32 32 LYS HA H 32 4.110 4.116 -0.006 1
1 125 . 6 1 1 A 32 32 LYS CA C 32 58.300 58.582 -0.282 1
1 126 . 6 1 1 A 32 32 LYS CB C 32 33.100 32.493 0.607 1
1 130 . 6 1 1 A 32 32 LYS N N 32 114.800 118.665 -3.865 1
1 131 . 6 1 1 A 33 33 VAL H H 33 7.400 8.105 -0.705 1
1 132 . 6 1 1 A 33 33 VAL HA H 33 4.620 4.082 0.538 1
1 140 . 6 1 1 A 33 33 VAL CA C 33 60.100 63.577 -3.477 1
1 141 . 6 1 1 A 33 33 VAL CB C 33 32.300 31.491 0.809 1
1 144 . 6 1 1 A 33 33 VAL N N 33 109.100 116.308 -7.208 1
1 145 . 6 1 1 A 34 34 ALA H H 34 6.710 7.891 -1.181 1
1 146 . 6 1 1 A 34 34 ALA HA H 34 3.010 3.752 -0.742 1
1 150 . 6 1 1 A 34 34 ALA CA C 34 55.100 54.791 0.309 1
1 151 . 6 1 1 A 34 34 ALA CB C 34 19.200 17.732 1.468 1
1 152 . 6 1 1 A 34 34 ALA N N 34 124.300 125.360 -1.060 1
1 153 . 6 1 1 A 35 35 SER H H 35 8.120 8.057 0.063 1
1 154 . 6 1 1 A 35 35 SER HA H 35 4.320 4.080 0.240 1
1 157 . 6 1 1 A 35 35 SER CA C 35 60.400 61.191 -0.791 1
1 158 . 6 1 1 A 35 35 SER CB C 35 62.400 63.134 -0.734 1
1 159 . 6 1 1 A 35 35 SER N N 35 110.400 113.217 -2.817 1
1 160 . 6 1 1 A 36 36 GLU H H 36 8.300 7.987 0.313 1
1 161 . 6 1 1 A 36 36 GLU HA H 36 4.270 4.407 -0.137 1
1 166 . 6 1 1 A 36 36 GLU CA C 36 55.700 56.213 -0.513 1
1 167 . 6 1 1 A 36 36 GLU CB C 36 28.900 30.133 -1.233 1
1 169 . 6 1 1 A 36 36 GLU N N 36 119.200 117.728 1.472 1
1 170 . 6 1 1 A 37 37 TYR H H 37 7.920 7.655 0.265 1
1 171 . 6 1 1 A 37 37 TYR HA H 37 5.150 5.201 -0.051 1
1 178 . 6 1 1 A 37 37 TYR CA C 37 57.900 56.372 1.528 1
1 179 . 6 1 1 A 37 37 TYR CB C 37 44.100 43.091 1.009 1
1 182 . 6 1 1 A 37 37 TYR N N 37 117.200 118.977 -1.777 1
1 183 . 6 1 1 A 38 38 THR H H 38 9.480 9.359 0.121 1
1 184 . 6 1 1 A 38 38 THR HA H 38 4.840 5.178 -0.338 1
1 189 . 6 1 1 A 38 38 THR CA C 38 60.400 60.912 -0.512 1
1 190 . 6 1 1 A 38 38 THR CB C 38 71.200 72.745 -1.545 1
1 192 . 6 1 1 A 38 38 THR N N 38 115.400 115.600 -0.200 1
1 193 . 6 1 1 A 39 39 LYS H H 39 9.290 8.884 0.406 1
1 194 . 6 1 1 A 39 39 LYS HA H 39 3.880 4.248 -0.368 1
1 203 . 6 1 1 A 39 39 LYS CA C 39 57.500 56.007 1.493 1
1 204 . 6 1 1 A 39 39 LYS CB C 39 32.300 33.107 -0.807 1
1 208 . 6 1 1 A 39 39 LYS N N 39 130.400 127.598 2.802 1
1 209 . 6 1 1 A 40 40 ILE H H 40 8.820 8.781 0.039 1
1 210 . 6 1 1 A 40 40 ILE HA H 40 4.550 4.630 -0.080 1
1 220 . 6 1 1 A 40 40 ILE CA C 40 60.900 60.371 0.529 1
1 221 . 6 1 1 A 40 40 ILE CB C 40 39.200 38.984 0.216 1
1 225 . 6 1 1 A 40 40 ILE N N 40 121.900 122.708 -0.808 1
1 226 . 6 1 1 A 41 41 GLY H H 41 7.130 7.087 0.043 1
1 227 . 6 1 1 A 41 41 GLY HA2 H 41 3.950 4.011 -0.061 1
1 228 . 6 1 1 A 41 41 GLY HA3 H 41 4.260 4.026 0.234 1
1 229 . 6 1 1 A 41 41 GLY CA C 41 45.100 43.894 1.206 1
1 230 . 6 1 1 A 41 41 GLY N N 41 107.400 109.754 -2.354 1
1 231 . 6 1 1 A 42 42 THR H H 42 8.210 8.173 0.037 1
1 232 . 6 1 1 A 42 42 THR HA H 42 5.230 4.956 0.274 1
1 237 . 6 1 1 A 42 42 THR CA C 42 60.900 61.459 -0.559 1
1 238 . 6 1 1 A 42 42 THR CB C 42 72.300 70.968 1.332 1
1 240 . 6 1 1 A 42 42 THR N N 42 115.100 115.556 -0.456 1
1 241 . 6 1 1 A 43 43 ILE H H 43 9.130 9.508 -0.378 1
1 242 . 6 1 1 A 43 43 ILE HA H 43 4.790 5.225 -0.435 1
1 252 . 6 1 1 A 43 43 ILE CA C 43 59.400 58.955 0.445 1
1 253 . 6 1 1 A 43 43 ILE CB C 43 42.600 42.283 0.317 1
1 257 . 6 1 1 A 43 43 ILE N N 43 118.000 120.186 -2.186 1
1 258 . 6 1 1 A 44 44 SER H H 44 8.330 8.519 -0.189 1
1 259 . 6 1 1 A 44 44 SER HA H 44 5.250 5.073 0.177 1
1 262 . 6 1 1 A 44 44 SER CA C 44 56.700 57.297 -0.597 1
1 263 . 6 1 1 A 44 44 SER CB C 44 66.000 66.197 -0.197 1
1 264 . 6 1 1 A 44 44 SER N N 44 113.300 115.317 -2.017 1
1 265 . 6 1 1 A 45 45 THR H H 45 8.380 8.708 -0.328 1
1 266 . 6 1 1 A 45 45 THR HA H 45 4.550 4.712 -0.162 1
1 271 . 6 1 1 A 45 45 THR CA C 45 60.900 60.659 0.241 1
1 272 . 6 1 1 A 45 45 THR CB C 45 70.000 70.103 -0.103 1
1 274 . 6 1 1 A 45 45 THR N N 45 113.300 115.342 -2.042 1
1 275 . 6 1 1 A 46 46 THR H H 46 8.540 8.431 0.109 1
1 276 . 6 1 1 A 46 46 THR HA H 46 4.400 5.216 -0.816 1
1 281 . 6 1 1 A 46 46 THR CA C 46 62.000 60.776 1.224 1
1 282 . 6 1 1 A 46 46 THR CB C 46 69.300 73.067 -3.767 1
1 284 . 6 1 1 A 46 46 THR N N 46 117.700 118.391 -0.691 1
1 285 . 6 1 1 A 47 47 GLY H H 47 8.320 8.341 -0.021 1
1 286 . 6 1 1 A 47 47 GLY HA2 H 47 3.890 4.269 -0.379 1
1 287 . 6 1 1 A 47 47 GLY HA3 H 47 3.980 4.275 -0.295 1
1 288 . 6 1 1 A 47 47 GLY CA C 47 44.800 45.959 -1.159 1
1 289 . 6 1 1 A 47 47 GLY N N 47 111.700 110.787 0.913 1
1 290 . 6 1 1 A 48 48 GLU H H 48 8.430 8.693 -0.263 1
1 291 . 6 1 1 A 48 48 GLU HA H 48 4.390 4.826 -0.436 1
1 296 . 6 1 1 A 48 48 GLU CA C 48 55.600 55.565 0.035 1
1 297 . 6 1 1 A 48 48 GLU CB C 48 29.400 29.964 -0.564 1
1 299 . 6 1 1 A 48 48 GLU N N 48 120.100 121.881 -1.781 1
1 300 . 6 1 1 A 49 49 MET H H 49 8.390 7.537 0.853 1
1 301 . 6 1 1 A 49 49 MET HA H 49 4.700 4.714 -0.014 1
1 306 . 6 1 1 A 49 49 MET CA C 49 55.000 54.570 0.430 1
1 307 . 6 1 1 A 49 49 MET CB C 49 35.900 34.532 1.368 1
1 309 . 6 1 1 A 49 49 MET N N 49 120.000 120.817 -0.817 1
1 310 . 6 1 1 A 50 50 SER H H 50 9.020 8.764 0.256 1
1 311 . 6 1 1 A 50 50 SER HA H 50 4.780 4.822 -0.042 1
1 314 . 6 1 1 A 50 50 SER CA C 50 57.700 56.180 1.520 1
1 315 . 6 1 1 A 50 50 SER CB C 50 62.600 63.932 -1.332 1
1 316 . 6 1 1 A 50 50 SER N N 50 117.900 116.220 1.680 1
1 317 . 6 1 1 A 51 51 PRO HA H 51 4.240 4.268 -0.028 1
1 324 . 6 1 1 A 51 51 PRO CA C 51 66.000 65.866 0.134 1
1 325 . 6 1 1 A 51 51 PRO CB C 51 31.800 31.817 -0.017 1
1 328 . 6 1 1 A 52 52 LEU H H 52 8.160 7.702 0.458 1
1 329 . 6 1 1 A 52 52 LEU HA H 52 4.110 4.024 0.086 1
1 339 . 6 1 1 A 52 52 LEU CA C 52 57.900 57.541 0.359 1
1 340 . 6 1 1 A 52 52 LEU CB C 52 41.400 41.256 0.144 1
1 344 . 6 1 1 A 52 52 LEU N N 52 117.600 116.924 0.676 1
1 345 . 6 1 1 A 53 53 ASP H H 53 7.510 8.265 -0.755 1
1 346 . 6 1 1 A 53 53 ASP HA H 53 4.420 4.277 0.143 1
1 349 . 6 1 1 A 53 53 ASP CA C 53 56.600 57.781 -1.181 1
1 350 . 6 1 1 A 53 53 ASP CB C 53 39.800 41.030 -1.230 1
1 351 . 6 1 1 A 53 53 ASP N N 53 119.900 120.224 -0.324 1
1 352 . 6 1 1 A 54 54 ALA H H 54 8.800 8.589 0.211 1
1 353 . 6 1 1 A 54 54 ALA HA H 54 4.210 4.045 0.165 1
1 357 . 6 1 1 A 54 54 ALA CA C 54 54.700 55.020 -0.320 1
1 358 . 6 1 1 A 54 54 ALA CB C 54 18.200 18.112 0.088 1
1 359 . 6 1 1 A 54 54 ALA N N 54 123.400 121.826 1.574 1
1 360 . 6 1 1 A 55 55 ARG H H 55 7.860 7.635 0.225 1
1 361 . 6 1 1 A 55 55 ARG HA H 55 3.730 4.002 -0.272 1
1 368 . 6 1 1 A 55 55 ARG CA C 55 60.200 59.731 0.469 1
1 369 . 6 1 1 A 55 55 ARG CB C 55 30.100 30.012 0.088 1
1 372 . 6 1 1 A 55 55 ARG N N 55 117.100 117.478 -0.378 1
1 373 . 6 1 1 A 56 56 GLU H H 56 7.630 8.253 -0.623 1
1 374 . 6 1 1 A 56 56 GLU HA H 56 4.000 4.028 -0.028 1
1 379 . 6 1 1 A 56 56 GLU CA C 56 58.800 59.617 -0.817 1
1 380 . 6 1 1 A 56 56 GLU CB C 56 28.300 29.026 -0.726 1
1 382 . 6 1 1 A 56 56 GLU N N 56 115.900 119.910 -4.010 1
1 383 . 6 1 1 A 57 57 ASP H H 57 8.120 8.049 0.071 1
1 384 . 6 1 1 A 57 57 ASP HA H 57 4.380 4.387 -0.007 1
1 387 . 6 1 1 A 57 57 ASP CA C 57 57.400 57.416 -0.016 1
1 388 . 6 1 1 A 57 57 ASP CB C 57 42.500 41.365 1.135 1
1 389 . 6 1 1 A 57 57 ASP N N 57 120.200 119.568 0.632 1
1 390 . 6 1 1 A 58 58 LEU H H 58 8.160 8.040 0.120 1
1 391 . 6 1 1 A 58 58 LEU HA H 58 3.860 4.065 -0.205 1
1 401 . 6 1 1 A 58 58 LEU CA C 58 57.500 57.925 -0.425 1
1 402 . 6 1 1 A 58 58 LEU CB C 58 41.400 41.867 -0.467 1
1 406 . 6 1 1 A 58 58 LEU N N 58 117.300 119.592 -2.292 1
1 407 . 6 1 1 A 59 59 ILE H H 59 8.020 8.742 -0.722 1
1 408 . 6 1 1 A 59 59 ILE HA H 59 3.300 3.473 -0.173 1
1 418 . 6 1 1 A 59 59 ILE CA C 59 65.700 65.704 -0.004 1
1 419 . 6 1 1 A 59 59 ILE CB C 59 37.500 37.653 -0.153 1
1 423 . 6 1 1 A 59 59 ILE N N 59 118.600 119.521 -0.921 1
1 424 . 6 1 1 A 60 60 LYS H H 60 7.890 8.015 -0.125 1
1 425 . 6 1 1 A 60 60 LYS HA H 60 4.090 4.094 -0.004 1
1 434 . 6 1 1 A 60 60 LYS CA C 60 59.800 59.529 0.271 1
1 435 . 6 1 1 A 60 60 LYS CB C 60 31.900 32.008 -0.108 1
1 439 . 6 1 1 A 60 60 LYS N N 60 119.400 119.637 -0.237 1
1 440 . 6 1 1 A 61 61 LYS H H 61 8.080 7.739 0.341 1
1 441 . 6 1 1 A 61 61 LYS HA H 61 3.980 4.023 -0.043 1
1 450 . 6 1 1 A 61 61 LYS CA C 61 59.200 59.397 -0.197 1
1 451 . 6 1 1 A 61 61 LYS CB C 61 33.500 32.406 1.094 1
1 455 . 6 1 1 A 61 61 LYS N N 61 119.200 120.109 -0.909 1
1 456 . 6 1 1 A 62 62 ALA H H 62 8.490 8.677 -0.187 1
1 457 . 6 1 1 A 62 62 ALA HA H 62 3.770 4.085 -0.315 1
1 461 . 6 1 1 A 62 62 ALA CA C 62 54.900 55.209 -0.309 1
1 462 . 6 1 1 A 62 62 ALA CB C 62 19.100 18.439 0.661 1
1 463 . 6 1 1 A 62 62 ALA N N 62 122.200 122.358 -0.158 1
1 464 . 6 1 1 A 63 63 ASP H H 63 8.850 8.352 0.498 1
1 465 . 6 1 1 A 63 63 ASP HA H 63 4.590 4.449 0.141 1
1 468 . 6 1 1 A 63 63 ASP CA C 63 56.900 57.371 -0.471 1
1 469 . 6 1 1 A 63 63 ASP CB C 63 39.000 41.223 -2.223 1
1 470 . 6 1 1 A 63 63 ASP N N 63 120.200 118.455 1.745 1
1 471 . 6 1 1 A 64 64 GLU H H 64 8.050 8.447 -0.397 1
1 472 . 6 1 1 A 64 64 GLU HA H 64 4.070 4.167 -0.097 1
1 477 . 6 1 1 A 64 64 GLU CA C 64 58.800 59.340 -0.540 1
1 478 . 6 1 1 A 64 64 GLU CB C 64 29.000 29.338 -0.338 1
1 480 . 6 1 1 A 64 64 GLU N N 64 121.300 119.028 2.272 1
1 481 . 6 1 1 A 65 65 LYS H H 65 7.180 7.617 -0.437 1
1 482 . 6 1 1 A 65 65 LYS HA H 65 4.310 4.469 -0.159 1
1 491 . 6 1 1 A 65 65 LYS CA C 65 54.800 56.501 -1.701 1
1 492 . 6 1 1 A 65 65 LYS CB C 65 33.000 33.140 -0.140 1
1 496 . 6 1 1 A 65 65 LYS N N 65 115.600 118.968 -3.368 1
1 497 . 6 1 1 A 66 66 GLY H H 66 7.870 7.996 -0.126 1
1 498 . 6 1 1 A 66 66 GLY HA2 H 66 3.860 3.777 0.083 1
1 499 . 6 1 1 A 66 66 GLY HA3 H 66 3.980 3.814 0.166 1
1 500 . 6 1 1 A 66 66 GLY CA C 66 45.700 45.404 0.296 1
1 501 . 6 1 1 A 66 66 GLY N N 66 107.500 108.004 -0.504 1
1 502 . 6 1 1 A 67 67 ALA H H 67 7.920 7.903 0.017 1
1 503 . 6 1 1 A 67 67 ALA HA H 67 4.020 4.374 -0.354 1
1 507 . 6 1 1 A 67 67 ALA CA C 67 51.700 52.536 -0.836 1
1 508 . 6 1 1 A 67 67 ALA CB C 67 21.100 19.810 1.290 1
1 509 . 6 1 1 A 67 67 ALA N N 67 118.900 122.414 -3.514 1
1 510 . 6 1 1 A 68 68 ASP H H 68 8.790 9.161 -0.371 1
1 511 . 6 1 1 A 68 68 ASP HA H 68 5.070 4.865 0.205 1
1 514 . 6 1 1 A 68 68 ASP CA C 68 56.500 56.485 0.015 1
1 515 . 6 1 1 A 68 68 ASP CB C 68 44.900 43.020 1.880 1
1 516 . 6 1 1 A 68 68 ASP N N 68 116.500 121.093 -4.593 1
1 517 . 6 1 1 A 69 69 VAL H H 69 8.070 8.099 -0.029 1
1 518 . 6 1 1 A 69 69 VAL HA H 69 5.130 5.001 0.129 1
1 526 . 6 1 1 A 69 69 VAL CA C 69 60.300 60.714 -0.414 1
1 527 . 6 1 1 A 69 69 VAL CB C 69 37.400 35.156 2.244 1
1 530 . 6 1 1 A 69 69 VAL N N 69 118.400 118.176 0.224 1
1 531 . 6 1 1 A 70 70 VAL H H 70 8.720 9.311 -0.591 1
1 532 . 6 1 1 A 70 70 VAL HA H 70 4.550 5.013 -0.463 1
1 540 . 6 1 1 A 70 70 VAL CA C 70 59.800 59.386 0.414 1
1 541 . 6 1 1 A 70 70 VAL CB C 70 34.200 34.716 -0.516 1
1 544 . 6 1 1 A 70 70 VAL N N 70 127.300 121.759 5.541 1
1 545 . 6 1 1 A 71 71 VAL H H 71 8.890 9.178 -0.288 1
1 546 . 6 1 1 A 71 71 VAL HA H 71 4.550 4.510 0.040 1
1 554 . 6 1 1 A 71 71 VAL CA C 71 60.800 61.157 -0.357 1
1 555 . 6 1 1 A 71 71 VAL CB C 71 34.000 32.993 1.007 1
1 558 . 6 1 1 A 71 71 VAL N N 71 126.700 122.838 3.862 1
1 559 . 6 1 1 A 72 72 LEU H H 72 8.800 8.696 0.104 1
1 560 . 6 1 1 A 72 72 LEU HA H 72 4.440 4.373 0.067 1
1 570 . 6 1 1 A 72 72 LEU CA C 72 55.700 54.463 1.237 1
1 571 . 6 1 1 A 72 72 LEU CB C 72 41.500 40.827 0.673 1
1 575 . 6 1 1 A 72 72 LEU N N 72 127.400 128.797 -1.397 1
1 576 . 6 1 1 A 73 73 THR H H 73 8.630 8.082 0.548 1
1 577 . 6 1 1 A 73 73 THR HA H 73 4.430 4.044 0.386 1
1 582 . 6 1 1 A 73 73 THR CA C 73 61.500 65.216 -3.716 1
1 583 . 6 1 1 A 73 73 THR CB C 73 69.400 69.123 0.277 1
1 585 . 6 1 1 A 73 73 THR N N 73 114.000 117.571 -3.571 1
1 586 . 6 1 1 A 74 74 SER H H 74 8.130 8.238 -0.108 1
1 587 . 6 1 1 A 74 74 SER HA H 74 4.540 4.436 0.104 1
1 590 . 6 1 1 A 74 74 SER CA C 74 58.000 58.419 -0.419 1
1 591 . 6 1 1 A 74 74 SER CB C 74 63.800 63.085 0.715 1
1 592 . 6 1 1 A 74 74 SER N N 74 116.000 116.321 -0.321 1
1 593 . 6 1 1 A 75 75 GLY H H 75 8.570 8.731 -0.161 1
1 594 . 6 1 1 A 75 75 GLY HA2 H 75 4.040 4.287 -0.247 1
1 595 . 6 1 1 A 75 75 GLY HA3 H 75 4.040 4.297 -0.257 1
1 596 . 6 1 1 A 75 75 GLY CA C 75 45.100 44.917 0.183 1
1 597 . 6 1 1 A 75 75 GLY N N 75 109.800 107.672 2.128 1
1 598 . 6 1 1 A 76 76 GLN H H 76 8.390 8.764 -0.374 1
1 599 . 6 1 1 A 76 76 GLN HA H 76 4.490 4.459 0.031 1
1 606 . 6 1 1 A 76 76 GLN CA C 76 55.900 55.158 0.742 1
1 607 . 6 1 1 A 76 76 GLN CB C 76 29.600 27.893 1.707 1
1 609 . 6 1 1 A 76 76 GLN N N 76 119.200 126.190 -6.990 1
1 611 . 6 1 1 A 77 77 THR H H 77 8.100 8.553 -0.453 1
1 612 . 6 1 1 A 77 77 THR HA H 77 4.420 4.608 -0.188 1
1 617 . 6 1 1 A 77 77 THR CA C 77 61.300 62.541 -1.241 1
1 618 . 6 1 1 A 77 77 THR CB C 77 69.700 70.026 -0.326 1
1 620 . 6 1 1 A 77 77 THR N N 77 113.000 120.062 -7.062 1
1 621 . 6 1 1 A 78 78 GLU H H 78 8.450 7.631 0.819 1
1 622 . 6 1 1 A 78 78 GLU HA H 78 4.250 4.562 -0.312 1
1 627 . 6 1 1 A 78 78 GLU CA C 78 56.900 57.861 -0.961 1
1 628 . 6 1 1 A 78 78 GLU CB C 78 29.500 31.173 -1.673 1
1 630 . 6 1 1 A 78 78 GLU N N 78 120.700 116.125 4.575 1
1 631 . 6 1 1 A 79 79 ASN H H 79 8.320 8.422 -0.102 1
1 632 . 6 1 1 A 79 79 ASN HA H 79 4.600 4.984 -0.384 1
1 637 . 6 1 1 A 79 79 ASN CA C 79 53.700 55.038 -1.338 1
1 638 . 6 1 1 A 79 79 ASN CB C 79 38.600 39.520 -0.920 1
1 639 . 6 1 1 A 79 79 ASN N N 79 117.000 118.699 -1.699 1
1 641 . 6 1 1 A 80 80 LYS H H 80 7.910 8.214 -0.304 1
1 642 . 6 1 1 A 80 80 LYS HA H 80 4.300 4.245 0.055 1
1 651 . 6 1 1 A 80 80 LYS CA C 80 56.000 56.553 -0.553 1
1 652 . 6 1 1 A 80 80 LYS CB C 80 33.300 31.977 1.323 1
1 656 . 6 1 1 A 80 80 LYS N N 80 118.800 115.722 3.078 1
1 657 . 6 1 1 A 81 81 ILE H H 81 8.340 7.790 0.550 1
1 658 . 6 1 1 A 81 81 ILE HA H 81 4.300 4.468 -0.168 1
1 668 . 6 1 1 A 81 81 ILE CA C 81 60.500 60.482 0.018 1
1 669 . 6 1 1 A 81 81 ILE CB C 81 39.800 38.630 1.170 1
1 673 . 6 1 1 A 81 81 ILE N N 81 119.600 117.176 2.424 1
1 674 . 6 1 1 A 82 82 HIS H H 82 8.470 8.893 -0.423 1
1 675 . 6 1 1 A 82 82 HIS HA H 82 4.780 5.034 -0.254 1
1 680 . 6 1 1 A 82 82 HIS CA C 82 54.700 54.231 0.469 1
1 681 . 6 1 1 A 82 82 HIS CB C 82 28.900 30.444 -1.544 1
1 684 . 6 1 1 A 82 82 HIS N N 82 121.600 126.381 -4.781 1
1 685 . 6 1 1 A 83 83 GLY H H 83 8.340 8.401 -0.061 1
1 686 . 6 1 1 A 83 83 GLY HA2 H 83 3.690 3.756 -0.066 1
1 687 . 6 1 1 A 83 83 GLY HA3 H 83 4.190 3.779 0.411 1
1 688 . 6 1 1 A 83 83 GLY CA C 83 45.000 45.532 -0.532 1
1 689 . 6 1 1 A 83 83 GLY N N 83 111.600 113.450 -1.850 1
1 690 . 6 1 1 A 84 84 THR H H 84 8.120 8.354 -0.234 1
1 691 . 6 1 1 A 84 84 THR HA H 84 5.030 5.216 -0.186 1
1 696 . 6 1 1 A 84 84 THR CA C 84 60.100 60.519 -0.419 1
1 697 . 6 1 1 A 84 84 THR CB C 84 72.000 71.966 0.034 1
1 699 . 6 1 1 A 84 84 THR N N 84 112.300 112.731 -0.431 1
1 700 . 6 1 1 A 85 85 ALA H H 85 8.840 8.819 0.021 1
1 701 . 6 1 1 A 85 85 ALA HA H 85 4.950 5.160 -0.210 1
1 705 . 6 1 1 A 85 85 ALA CA C 85 51.200 51.509 -0.309 1
1 706 . 6 1 1 A 85 85 ALA CB C 85 23.800 22.702 1.098 1
1 707 . 6 1 1 A 85 85 ALA N N 85 122.500 123.311 -0.811 1
1 708 . 6 1 1 A 86 86 ASP H H 86 8.510 9.043 -0.533 1
1 709 . 6 1 1 A 86 86 ASP HA H 86 5.200 5.193 0.007 1
1 712 . 6 1 1 A 86 86 ASP CA C 86 53.400 53.134 0.266 1
1 713 . 6 1 1 A 86 86 ASP CB C 86 43.100 43.587 -0.487 1
1 714 . 6 1 1 A 86 86 ASP N N 86 121.400 123.142 -1.742 1
1 715 . 6 1 1 A 87 87 ILE H H 87 7.970 8.518 -0.548 1
1 716 . 6 1 1 A 87 87 ILE HA H 87 5.370 5.179 0.191 1
1 726 . 6 1 1 A 87 87 ILE CA C 87 58.200 59.297 -1.097 1
1 727 . 6 1 1 A 87 87 ILE CB C 87 41.200 40.762 0.438 1
1 731 . 6 1 1 A 87 87 ILE N N 87 111.200 120.487 -9.287 1
1 732 . 6 1 1 A 88 88 TYR H H 88 8.750 9.767 -1.017 1
1 733 . 6 1 1 A 88 88 TYR HA H 88 5.440 5.432 0.008 1
1 740 . 6 1 1 A 88 88 TYR CA C 88 56.900 56.224 0.676 1
1 741 . 6 1 1 A 88 88 TYR CB C 88 44.000 43.646 0.354 1
1 744 . 6 1 1 A 88 88 TYR N N 88 118.000 121.415 -3.415 1
1 745 . 6 1 1 A 89 89 LYS H H 89 9.590 9.598 -0.008 1
1 746 . 6 1 1 A 89 89 LYS HA H 89 5.170 5.171 -0.001 1
1 755 . 6 1 1 A 89 89 LYS CA C 89 54.400 54.120 0.280 1
1 756 . 6 1 1 A 89 89 LYS CB C 89 36.800 36.169 0.631 1
1 760 . 6 1 1 A 89 89 LYS N N 89 123.500 122.969 0.531 1
1 761 . 6 1 1 A 90 90 LYS H H 90 10.190 8.702 1.488 1
1 762 . 6 1 1 A 90 90 LYS HA H 90 3.810 3.304 0.506 1
1 771 . 6 1 1 A 90 90 LYS CA C 90 57.500 55.924 1.576 1
1 772 . 6 1 1 A 90 90 LYS CB C 90 32.700 32.848 -0.148 1
1 776 . 6 1 1 A 90 90 LYS N N 90 129.200 127.639 1.561 1
1 777 . 6 1 1 A 91 91 LYS H H 91 8.450 8.283 0.167 1
1 778 . 6 1 1 A 91 91 LYS HA H 91 4.100 4.405 -0.305 1
1 787 . 6 1 1 A 91 91 LYS CA C 91 57.300 55.695 1.605 1
1 788 . 6 1 1 A 91 91 LYS CB C 91 33.100 33.548 -0.448 1
1 792 . 6 1 1 A 91 91 LYS N N 91 125.900 125.477 0.423 1
1 793 . 6 1 1 A 92 92 LEU H H 92 8.270 8.642 -0.372 1
1 794 . 6 1 1 A 92 92 LEU HA H 92 4.280 4.208 0.072 1
1 804 . 6 1 1 A 92 92 LEU CA C 92 54.600 55.781 -1.181 1
1 805 . 6 1 1 A 92 92 LEU CB C 92 42.100 41.528 0.572 1
1 809 . 6 1 1 A 92 92 LEU N N 92 123.200 121.340 1.860 1
1 810 . 6 1 1 A 93 93 GLU H H 93 8.310 7.646 0.664 1
1 811 . 6 1 1 A 93 93 GLU HA H 93 4.220 4.421 -0.201 1
1 816 . 6 1 1 A 93 93 GLU CA C 93 55.700 55.596 0.104 1
1 817 . 6 1 1 A 93 93 GLU CB C 93 30.200 28.040 2.160 1
1 819 . 6 1 1 A 93 93 GLU N N 93 122.000 119.229 2.771 1
1 820 . 6 1 1 A 94 94 HIS H H 94 8.570 8.229 0.341 1
1 821 . 6 1 1 A 94 94 HIS HA H 94 4.630 5.371 -0.741 1
1 826 . 6 1 1 A 94 94 HIS CA C 94 55.000 53.856 1.144 1
1 827 . 6 1 1 A 94 94 HIS CB C 94 28.900 30.756 -1.856 1
1 830 . 6 1 1 A 94 94 HIS N N 94 119.700 119.150 0.550 1
1 831 . 6 1 1 A 95 95 HIS H H 95 8.610 9.045 -0.435 1
1 832 . 6 1 1 A 95 95 HIS HA H 95 4.650 4.866 -0.216 1
1 837 . 6 1 1 A 95 95 HIS CA C 95 55.200 54.598 0.602 1
1 838 . 6 1 1 A 95 95 HIS CB C 95 28.900 31.517 -2.617 1
1 841 . 6 1 1 A 95 95 HIS N N 95 119.300 123.715 -4.415 1
1 842 . 6 1 1 A 96 96 HIS H H 96 8.680 8.664 0.016 1
1 843 . 6 1 1 A 96 96 HIS HA H 96 4.660 4.458 0.202 1
1 848 . 6 1 1 A 96 96 HIS CA C 96 55.200 58.172 -2.972 1
1 849 . 6 1 1 A 96 96 HIS CB C 96 29.100 28.525 0.575 1
1 852 . 6 1 1 A 96 96 HIS N N 96 120.100 119.143 0.957 1
1 853 . 6 1 1 A 97 97 HIS H H 97 8.580 8.436 0.144 1
1 854 . 6 1 1 A 97 97 HIS HA H 97 4.660 4.785 -0.125 1
1 859 . 6 1 1 A 97 97 HIS CA C 97 55.400 54.292 1.108 1
1 860 . 6 1 1 A 97 97 HIS CB C 97 29.200 29.430 -0.230 1
1 863 . 6 1 1 A 97 97 HIS N N 97 120.400 115.397 5.003 1
1 864 . 6 1 1 A 98 98 HIS H H 98 8.390 8.750 -0.360 1
1 865 . 6 1 1 A 98 98 HIS HA H 98 4.620 4.110 0.510 1
1 870 . 6 1 1 A 98 98 HIS CA C 98 55.500 58.772 -3.272 1
1 871 . 6 1 1 A 98 98 HIS CB C 98 29.100 28.246 0.854 1
1 1 . 7 1 1 A 22 22 ALA HA H 22 4.130 3.885 0.245 1
1 5 . 7 1 1 A 22 22 ALA CA C 22 50.900 52.765 -1.865 1
1 6 . 7 1 1 A 22 22 ALA CB C 22 20.200 17.498 2.702 1
1 7 . 7 1 1 A 23 23 GLU H H 23 7.920 8.029 -0.109 1
1 8 . 7 1 1 A 23 23 GLU HA H 23 4.710 4.866 -0.156 1
1 13 . 7 1 1 A 23 23 GLU CA C 23 54.300 54.532 -0.232 1
1 14 . 7 1 1 A 23 23 GLU CB C 23 32.500 31.305 1.195 1
1 16 . 7 1 1 A 23 23 GLU N N 23 117.600 115.540 2.060 1
1 17 . 7 1 1 A 24 24 ILE H H 24 8.870 8.515 0.355 1
1 18 . 7 1 1 A 24 24 ILE HA H 24 4.870 4.734 0.136 1
1 28 . 7 1 1 A 24 24 ILE CA C 24 60.200 60.282 -0.082 1
1 29 . 7 1 1 A 24 24 ILE CB C 24 38.100 39.128 -1.028 1
1 33 . 7 1 1 A 24 24 ILE N N 24 123.800 121.840 1.960 1
1 34 . 7 1 1 A 25 25 MET H H 25 8.720 8.857 -0.137 1
1 35 . 7 1 1 A 25 25 MET HA H 25 4.760 5.248 -0.488 1
1 40 . 7 1 1 A 25 25 MET CA C 25 54.300 53.764 0.536 1
1 41 . 7 1 1 A 25 25 MET CB C 25 37.100 34.267 2.833 1
1 43 . 7 1 1 A 25 25 MET N N 25 127.100 125.000 2.100 1
1 44 . 7 1 1 A 26 26 LYS H H 26 9.190 8.811 0.379 1
1 45 . 7 1 1 A 26 26 LYS HA H 26 4.320 4.320 0.000 1
1 54 . 7 1 1 A 26 26 LYS CA C 26 56.600 55.915 0.685 1
1 55 . 7 1 1 A 26 26 LYS CB C 26 32.900 33.235 -0.335 1
1 59 . 7 1 1 A 26 26 LYS N N 26 123.500 122.308 1.192 1
1 60 . 7 1 1 A 27 27 LYS H H 27 8.870 8.983 -0.113 1
1 61 . 7 1 1 A 27 27 LYS HA H 27 3.860 3.990 -0.130 1
1 70 . 7 1 1 A 27 27 LYS CA C 27 60.500 59.318 1.182 1
1 71 . 7 1 1 A 27 27 LYS CB C 27 32.400 32.054 0.346 1
1 75 . 7 1 1 A 27 27 LYS N N 27 126.200 124.023 2.177 1
1 76 . 7 1 1 A 28 28 THR H H 28 8.110 8.243 -0.133 1
1 77 . 7 1 1 A 28 28 THR HA H 28 4.130 3.932 0.198 1
1 82 . 7 1 1 A 28 28 THR CA C 28 64.600 67.239 -2.639 1
1 83 . 7 1 1 A 28 28 THR CB C 28 68.000 68.127 -0.127 1
1 85 . 7 1 1 A 28 28 THR N N 28 107.100 117.383 -10.283 1
1 86 . 7 1 1 A 29 29 ASP H H 29 6.770 8.111 -1.341 1
1 87 . 7 1 1 A 29 29 ASP HA H 29 4.580 4.383 0.197 1
1 90 . 7 1 1 A 29 29 ASP CA C 29 56.600 57.014 -0.414 1
1 91 . 7 1 1 A 29 29 ASP CB C 29 40.600 40.393 0.207 1
1 92 . 7 1 1 A 29 29 ASP N N 29 119.500 121.197 -1.697 1
1 93 . 7 1 1 A 30 30 PHE H H 30 8.630 8.796 -0.166 1
1 94 . 7 1 1 A 30 30 PHE HA H 30 3.930 4.111 -0.181 1
1 102 . 7 1 1 A 30 30 PHE CA C 30 60.800 60.745 0.055 1
1 103 . 7 1 1 A 30 30 PHE CB C 30 38.900 38.967 -0.067 1
1 107 . 7 1 1 A 30 30 PHE N N 30 123.300 120.491 2.809 1
1 108 . 7 1 1 A 31 31 ASP H H 31 8.650 8.677 -0.027 1
1 109 . 7 1 1 A 31 31 ASP HA H 31 4.150 4.071 0.079 1
1 112 . 7 1 1 A 31 31 ASP CA C 31 57.000 57.075 -0.075 1
1 113 . 7 1 1 A 31 31 ASP CB C 31 39.800 40.569 -0.769 1
1 114 . 7 1 1 A 31 31 ASP N N 31 117.000 119.146 -2.146 1
1 115 . 7 1 1 A 32 32 LYS H H 32 6.930 7.962 -1.032 1
1 116 . 7 1 1 A 32 32 LYS HA H 32 4.110 4.236 -0.126 1
1 125 . 7 1 1 A 32 32 LYS CA C 32 58.300 58.949 -0.649 1
1 126 . 7 1 1 A 32 32 LYS CB C 32 33.100 32.645 0.455 1
1 130 . 7 1 1 A 32 32 LYS N N 32 114.800 120.718 -5.918 1
1 131 . 7 1 1 A 33 33 VAL H H 33 7.400 8.182 -0.782 1
1 132 . 7 1 1 A 33 33 VAL HA H 33 4.620 4.257 0.363 1
1 140 . 7 1 1 A 33 33 VAL CA C 33 60.100 63.163 -3.063 1
1 141 . 7 1 1 A 33 33 VAL CB C 33 32.300 31.772 0.528 1
1 144 . 7 1 1 A 33 33 VAL N N 33 109.100 115.439 -6.339 1
1 145 . 7 1 1 A 34 34 ALA H H 34 6.710 7.854 -1.144 1
1 146 . 7 1 1 A 34 34 ALA HA H 34 3.010 3.905 -0.895 1
1 150 . 7 1 1 A 34 34 ALA CA C 34 55.100 53.819 1.281 1
1 151 . 7 1 1 A 34 34 ALA CB C 34 19.200 18.039 1.161 1
1 152 . 7 1 1 A 34 34 ALA N N 34 124.300 125.331 -1.031 1
1 153 . 7 1 1 A 35 35 SER H H 35 8.120 7.766 0.354 1
1 154 . 7 1 1 A 35 35 SER HA H 35 4.320 4.269 0.051 1
1 157 . 7 1 1 A 35 35 SER CA C 35 60.400 59.792 0.608 1
1 158 . 7 1 1 A 35 35 SER CB C 35 62.400 63.264 -0.864 1
1 159 . 7 1 1 A 35 35 SER N N 35 110.400 112.038 -1.638 1
1 160 . 7 1 1 A 36 36 GLU H H 36 8.300 8.032 0.268 1
1 161 . 7 1 1 A 36 36 GLU HA H 36 4.270 4.408 -0.138 1
1 166 . 7 1 1 A 36 36 GLU CA C 36 55.700 55.798 -0.098 1
1 167 . 7 1 1 A 36 36 GLU CB C 36 28.900 31.370 -2.470 1
1 169 . 7 1 1 A 36 36 GLU N N 36 119.200 117.708 1.492 1
1 170 . 7 1 1 A 37 37 TYR H H 37 7.920 7.430 0.490 1
1 171 . 7 1 1 A 37 37 TYR HA H 37 5.150 5.315 -0.165 1
1 178 . 7 1 1 A 37 37 TYR CA C 37 57.900 56.248 1.652 1
1 179 . 7 1 1 A 37 37 TYR CB C 37 44.100 42.662 1.438 1
1 182 . 7 1 1 A 37 37 TYR N N 37 117.200 119.051 -1.851 1
1 183 . 7 1 1 A 38 38 THR H H 38 9.480 9.182 0.298 1
1 184 . 7 1 1 A 38 38 THR HA H 38 4.840 4.875 -0.035 1
1 189 . 7 1 1 A 38 38 THR CA C 38 60.400 61.228 -0.828 1
1 190 . 7 1 1 A 38 38 THR CB C 38 71.200 72.070 -0.870 1
1 192 . 7 1 1 A 38 38 THR N N 38 115.400 115.883 -0.483 1
1 193 . 7 1 1 A 39 39 LYS H H 39 9.290 8.936 0.354 1
1 194 . 7 1 1 A 39 39 LYS HA H 39 3.880 4.133 -0.253 1
1 203 . 7 1 1 A 39 39 LYS CA C 39 57.500 57.418 0.082 1
1 204 . 7 1 1 A 39 39 LYS CB C 39 32.300 32.554 -0.254 1
1 208 . 7 1 1 A 39 39 LYS N N 39 130.400 130.331 0.069 1
1 209 . 7 1 1 A 40 40 ILE H H 40 8.820 8.340 0.480 1
1 210 . 7 1 1 A 40 40 ILE HA H 40 4.550 4.602 -0.052 1
1 220 . 7 1 1 A 40 40 ILE CA C 40 60.900 60.743 0.157 1
1 221 . 7 1 1 A 40 40 ILE CB C 40 39.200 38.728 0.472 1
1 225 . 7 1 1 A 40 40 ILE N N 40 121.900 122.085 -0.185 1
1 226 . 7 1 1 A 41 41 GLY H H 41 7.130 7.079 0.051 1
1 227 . 7 1 1 A 41 41 GLY HA2 H 41 3.950 3.995 -0.045 1
1 228 . 7 1 1 A 41 41 GLY HA3 H 41 4.260 4.007 0.253 1
1 229 . 7 1 1 A 41 41 GLY CA C 41 45.100 44.508 0.592 1
1 230 . 7 1 1 A 41 41 GLY N N 41 107.400 109.285 -1.885 1
1 231 . 7 1 1 A 42 42 THR H H 42 8.210 8.269 -0.059 1
1 232 . 7 1 1 A 42 42 THR HA H 42 5.230 4.996 0.234 1
1 237 . 7 1 1 A 42 42 THR CA C 42 60.900 61.493 -0.593 1
1 238 . 7 1 1 A 42 42 THR CB C 42 72.300 71.019 1.281 1
1 240 . 7 1 1 A 42 42 THR N N 42 115.100 115.565 -0.465 1
1 241 . 7 1 1 A 43 43 ILE H H 43 9.130 9.336 -0.206 1
1 242 . 7 1 1 A 43 43 ILE HA H 43 4.790 5.258 -0.468 1
1 252 . 7 1 1 A 43 43 ILE CA C 43 59.400 58.995 0.405 1
1 253 . 7 1 1 A 43 43 ILE CB C 43 42.600 42.409 0.191 1
1 257 . 7 1 1 A 43 43 ILE N N 43 118.000 120.059 -2.059 1
1 258 . 7 1 1 A 44 44 SER H H 44 8.330 8.448 -0.118 1
1 259 . 7 1 1 A 44 44 SER HA H 44 5.250 5.126 0.124 1
1 262 . 7 1 1 A 44 44 SER CA C 44 56.700 57.387 -0.687 1
1 263 . 7 1 1 A 44 44 SER CB C 44 66.000 66.264 -0.264 1
1 264 . 7 1 1 A 44 44 SER N N 44 113.300 115.363 -2.063 1
1 265 . 7 1 1 A 45 45 THR H H 45 8.380 8.816 -0.436 1
1 266 . 7 1 1 A 45 45 THR HA H 45 4.550 4.919 -0.369 1
1 271 . 7 1 1 A 45 45 THR CA C 45 60.900 60.509 0.391 1
1 272 . 7 1 1 A 45 45 THR CB C 45 70.000 71.001 -1.001 1
1 274 . 7 1 1 A 45 45 THR N N 45 113.300 115.491 -2.191 1
1 275 . 7 1 1 A 46 46 THR H H 46 8.540 8.541 -0.001 1
1 276 . 7 1 1 A 46 46 THR HA H 46 4.400 4.760 -0.360 1
1 281 . 7 1 1 A 46 46 THR CA C 46 62.000 60.473 1.527 1
1 282 . 7 1 1 A 46 46 THR CB C 46 69.300 70.490 -1.190 1
1 284 . 7 1 1 A 46 46 THR N N 46 117.700 120.505 -2.805 1
1 285 . 7 1 1 A 47 47 GLY H H 47 8.320 8.238 0.082 1
1 286 . 7 1 1 A 47 47 GLY HA2 H 47 3.890 4.157 -0.267 1
1 287 . 7 1 1 A 47 47 GLY HA3 H 47 3.980 4.162 -0.182 1
1 288 . 7 1 1 A 47 47 GLY CA C 47 44.800 45.744 -0.944 1
1 289 . 7 1 1 A 47 47 GLY N N 47 111.700 112.241 -0.541 1
1 290 . 7 1 1 A 48 48 GLU H H 48 8.430 8.644 -0.214 1
1 291 . 7 1 1 A 48 48 GLU HA H 48 4.390 5.008 -0.618 1
1 296 . 7 1 1 A 48 48 GLU CA C 48 55.600 55.593 0.007 1
1 297 . 7 1 1 A 48 48 GLU CB C 48 29.400 30.658 -1.258 1
1 299 . 7 1 1 A 48 48 GLU N N 48 120.100 122.510 -2.410 1
1 300 . 7 1 1 A 49 49 MET H H 49 8.390 8.584 -0.194 1
1 301 . 7 1 1 A 49 49 MET HA H 49 4.700 5.071 -0.371 1
1 306 . 7 1 1 A 49 49 MET CA C 49 55.000 54.090 0.910 1
1 307 . 7 1 1 A 49 49 MET CB C 49 35.900 38.066 -2.166 1
1 309 . 7 1 1 A 49 49 MET N N 49 120.000 123.952 -3.952 1
1 310 . 7 1 1 A 50 50 SER H H 50 9.020 8.473 0.547 1
1 311 . 7 1 1 A 50 50 SER HA H 50 4.780 4.801 -0.021 1
1 314 . 7 1 1 A 50 50 SER CA C 50 57.700 56.698 1.002 1
1 315 . 7 1 1 A 50 50 SER CB C 50 62.600 63.603 -1.003 1
1 316 . 7 1 1 A 50 50 SER N N 50 117.900 116.437 1.463 1
1 317 . 7 1 1 A 51 51 PRO HA H 51 4.240 4.247 -0.007 1
1 324 . 7 1 1 A 51 51 PRO CA C 51 66.000 65.866 0.134 1
1 325 . 7 1 1 A 51 51 PRO CB C 51 31.800 31.208 0.592 1
1 328 . 7 1 1 A 52 52 LEU H H 52 8.160 7.525 0.635 1
1 329 . 7 1 1 A 52 52 LEU HA H 52 4.110 4.003 0.107 1
1 339 . 7 1 1 A 52 52 LEU CA C 52 57.900 57.633 0.267 1
1 340 . 7 1 1 A 52 52 LEU CB C 52 41.400 41.536 -0.136 1
1 344 . 7 1 1 A 52 52 LEU N N 52 117.600 117.010 0.590 1
1 345 . 7 1 1 A 53 53 ASP H H 53 7.510 8.396 -0.886 1
1 346 . 7 1 1 A 53 53 ASP HA H 53 4.420 4.344 0.076 1
1 349 . 7 1 1 A 53 53 ASP CA C 53 56.600 57.209 -0.609 1
1 350 . 7 1 1 A 53 53 ASP CB C 53 39.800 40.076 -0.276 1
1 351 . 7 1 1 A 53 53 ASP N N 53 119.900 119.684 0.216 1
1 352 . 7 1 1 A 54 54 ALA H H 54 8.800 8.533 0.267 1
1 353 . 7 1 1 A 54 54 ALA HA H 54 4.210 3.949 0.261 1
1 357 . 7 1 1 A 54 54 ALA CA C 54 54.700 55.373 -0.673 1
1 358 . 7 1 1 A 54 54 ALA CB C 54 18.200 18.054 0.146 1
1 359 . 7 1 1 A 54 54 ALA N N 54 123.400 122.778 0.622 1
1 360 . 7 1 1 A 55 55 ARG H H 55 7.860 8.035 -0.175 1
1 361 . 7 1 1 A 55 55 ARG HA H 55 3.730 4.034 -0.304 1
1 368 . 7 1 1 A 55 55 ARG CA C 55 60.200 59.780 0.420 1
1 369 . 7 1 1 A 55 55 ARG CB C 55 30.100 30.027 0.073 1
1 372 . 7 1 1 A 55 55 ARG N N 55 117.100 117.444 -0.344 1
1 373 . 7 1 1 A 56 56 GLU H H 56 7.630 8.776 -1.146 1
1 374 . 7 1 1 A 56 56 GLU HA H 56 4.000 4.000 0.000 1
1 379 . 7 1 1 A 56 56 GLU CA C 56 58.800 59.634 -0.834 1
1 380 . 7 1 1 A 56 56 GLU CB C 56 28.300 29.001 -0.701 1
1 382 . 7 1 1 A 56 56 GLU N N 56 115.900 120.006 -4.106 1
1 383 . 7 1 1 A 57 57 ASP H H 57 8.120 8.259 -0.139 1
1 384 . 7 1 1 A 57 57 ASP HA H 57 4.380 4.358 0.022 1
1 387 . 7 1 1 A 57 57 ASP CA C 57 57.400 57.626 -0.226 1
1 388 . 7 1 1 A 57 57 ASP CB C 57 42.500 41.366 1.134 1
1 389 . 7 1 1 A 57 57 ASP N N 57 120.200 119.529 0.671 1
1 390 . 7 1 1 A 58 58 LEU H H 58 8.160 8.227 -0.067 1
1 391 . 7 1 1 A 58 58 LEU HA H 58 3.860 3.966 -0.106 1
1 401 . 7 1 1 A 58 58 LEU CA C 58 57.500 58.009 -0.509 1
1 402 . 7 1 1 A 58 58 LEU CB C 58 41.400 42.176 -0.776 1
1 406 . 7 1 1 A 58 58 LEU N N 58 117.300 119.774 -2.474 1
1 407 . 7 1 1 A 59 59 ILE H H 59 8.020 8.550 -0.530 1
1 408 . 7 1 1 A 59 59 ILE HA H 59 3.300 3.477 -0.177 1
1 418 . 7 1 1 A 59 59 ILE CA C 59 65.700 65.580 0.120 1
1 419 . 7 1 1 A 59 59 ILE CB C 59 37.500 37.837 -0.337 1
1 423 . 7 1 1 A 59 59 ILE N N 59 118.600 118.939 -0.339 1
1 424 . 7 1 1 A 60 60 LYS H H 60 7.890 8.246 -0.356 1
1 425 . 7 1 1 A 60 60 LYS HA H 60 4.090 3.991 0.099 1
1 434 . 7 1 1 A 60 60 LYS CA C 60 59.800 59.717 0.083 1
1 435 . 7 1 1 A 60 60 LYS CB C 60 31.900 32.239 -0.339 1
1 439 . 7 1 1 A 60 60 LYS N N 60 119.400 119.038 0.362 1
1 440 . 7 1 1 A 61 61 LYS H H 61 8.080 8.156 -0.076 1
1 441 . 7 1 1 A 61 61 LYS HA H 61 3.980 4.083 -0.103 1
1 450 . 7 1 1 A 61 61 LYS CA C 61 59.200 58.889 0.311 1
1 451 . 7 1 1 A 61 61 LYS CB C 61 33.500 32.342 1.158 1
1 455 . 7 1 1 A 61 61 LYS N N 61 119.200 120.339 -1.139 1
1 456 . 7 1 1 A 62 62 ALA H H 62 8.490 8.339 0.151 1
1 457 . 7 1 1 A 62 62 ALA HA H 62 3.770 4.082 -0.312 1
1 461 . 7 1 1 A 62 62 ALA CA C 62 54.900 54.890 0.010 1
1 462 . 7 1 1 A 62 62 ALA CB C 62 19.100 18.573 0.527 1
1 463 . 7 1 1 A 62 62 ALA N N 62 122.200 121.848 0.352 1
1 464 . 7 1 1 A 63 63 ASP H H 63 8.850 7.953 0.897 1
1 465 . 7 1 1 A 63 63 ASP HA H 63 4.590 4.312 0.278 1
1 468 . 7 1 1 A 63 63 ASP CA C 63 56.900 57.282 -0.382 1
1 469 . 7 1 1 A 63 63 ASP CB C 63 39.000 41.120 -2.120 1
1 470 . 7 1 1 A 63 63 ASP N N 63 120.200 118.423 1.777 1
1 471 . 7 1 1 A 64 64 GLU H H 64 8.050 8.250 -0.200 1
1 472 . 7 1 1 A 64 64 GLU HA H 64 4.070 3.985 0.085 1
1 477 . 7 1 1 A 64 64 GLU CA C 64 58.800 59.307 -0.507 1
1 478 . 7 1 1 A 64 64 GLU CB C 64 29.000 29.422 -0.422 1
1 480 . 7 1 1 A 64 64 GLU N N 64 121.300 118.607 2.693 1
1 481 . 7 1 1 A 65 65 LYS H H 65 7.180 7.580 -0.400 1
1 482 . 7 1 1 A 65 65 LYS HA H 65 4.310 4.360 -0.050 1
1 491 . 7 1 1 A 65 65 LYS CA C 65 54.800 56.774 -1.974 1
1 492 . 7 1 1 A 65 65 LYS CB C 65 33.000 33.418 -0.418 1
1 496 . 7 1 1 A 65 65 LYS N N 65 115.600 118.107 -2.507 1
1 497 . 7 1 1 A 66 66 GLY H H 66 7.870 8.083 -0.213 1
1 498 . 7 1 1 A 66 66 GLY HA2 H 66 3.860 3.976 -0.116 1
1 499 . 7 1 1 A 66 66 GLY HA3 H 66 3.980 3.983 -0.003 1
1 500 . 7 1 1 A 66 66 GLY CA C 66 45.700 46.337 -0.637 1
1 501 . 7 1 1 A 66 66 GLY N N 66 107.500 107.521 -0.021 1
1 502 . 7 1 1 A 67 67 ALA H H 67 7.920 7.919 0.001 1
1 503 . 7 1 1 A 67 67 ALA HA H 67 4.020 4.578 -0.558 1
1 507 . 7 1 1 A 67 67 ALA CA C 67 51.700 51.290 0.410 1
1 508 . 7 1 1 A 67 67 ALA CB C 67 21.100 20.570 0.530 1
1 509 . 7 1 1 A 67 67 ALA N N 67 118.900 122.529 -3.629 1
1 510 . 7 1 1 A 68 68 ASP H H 68 8.790 9.419 -0.629 1
1 511 . 7 1 1 A 68 68 ASP HA H 68 5.070 5.006 0.064 1
1 514 . 7 1 1 A 68 68 ASP CA C 68 56.500 55.653 0.847 1
1 515 . 7 1 1 A 68 68 ASP CB C 68 44.900 43.694 1.206 1
1 516 . 7 1 1 A 68 68 ASP N N 68 116.500 118.683 -2.183 1
1 517 . 7 1 1 A 69 69 VAL H H 69 8.070 8.243 -0.173 1
1 518 . 7 1 1 A 69 69 VAL HA H 69 5.130 4.851 0.279 1
1 526 . 7 1 1 A 69 69 VAL CA C 69 60.300 60.546 -0.246 1
1 527 . 7 1 1 A 69 69 VAL CB C 69 37.400 35.209 2.191 1
1 530 . 7 1 1 A 69 69 VAL N N 69 118.400 118.390 0.010 1
1 531 . 7 1 1 A 70 70 VAL H H 70 8.720 9.304 -0.584 1
1 532 . 7 1 1 A 70 70 VAL HA H 70 4.550 5.037 -0.487 1
1 540 . 7 1 1 A 70 70 VAL CA C 70 59.800 59.398 0.402 1
1 541 . 7 1 1 A 70 70 VAL CB C 70 34.200 35.268 -1.068 1
1 544 . 7 1 1 A 70 70 VAL N N 70 127.300 121.282 6.018 1
1 545 . 7 1 1 A 71 71 VAL H H 71 8.890 9.005 -0.115 1
1 546 . 7 1 1 A 71 71 VAL HA H 71 4.550 4.627 -0.077 1
1 554 . 7 1 1 A 71 71 VAL CA C 71 60.800 61.370 -0.570 1
1 555 . 7 1 1 A 71 71 VAL CB C 71 34.000 34.024 -0.024 1
1 558 . 7 1 1 A 71 71 VAL N N 71 126.700 122.958 3.742 1
1 559 . 7 1 1 A 72 72 LEU H H 72 8.800 8.776 0.024 1
1 560 . 7 1 1 A 72 72 LEU HA H 72 4.440 4.337 0.103 1
1 570 . 7 1 1 A 72 72 LEU CA C 72 55.700 54.552 1.148 1
1 571 . 7 1 1 A 72 72 LEU CB C 72 41.500 40.470 1.030 1
1 575 . 7 1 1 A 72 72 LEU N N 72 127.400 128.910 -1.510 1
1 576 . 7 1 1 A 73 73 THR H H 73 8.630 8.538 0.092 1
1 577 . 7 1 1 A 73 73 THR HA H 73 4.430 3.889 0.541 1
1 582 . 7 1 1 A 73 73 THR CA C 73 61.500 66.266 -4.766 1
1 583 . 7 1 1 A 73 73 THR CB C 73 69.400 69.005 0.395 1
1 585 . 7 1 1 A 73 73 THR N N 73 114.000 121.565 -7.565 1
1 586 . 7 1 1 A 74 74 SER H H 74 8.130 8.572 -0.442 1
1 587 . 7 1 1 A 74 74 SER HA H 74 4.540 4.496 0.044 1
1 590 . 7 1 1 A 74 74 SER CA C 74 58.000 60.611 -2.611 1
1 591 . 7 1 1 A 74 74 SER CB C 74 63.800 62.110 1.690 1
1 592 . 7 1 1 A 74 74 SER N N 74 116.000 114.683 1.317 1
1 593 . 7 1 1 A 75 75 GLY H H 75 8.570 8.730 -0.160 1
1 594 . 7 1 1 A 75 75 GLY HA2 H 75 4.040 4.398 -0.358 1
1 595 . 7 1 1 A 75 75 GLY HA3 H 75 4.040 4.425 -0.385 1
1 596 . 7 1 1 A 75 75 GLY CA C 75 45.100 44.783 0.317 1
1 597 . 7 1 1 A 75 75 GLY N N 75 109.800 109.603 0.197 1
1 598 . 7 1 1 A 76 76 GLN H H 76 8.390 8.525 -0.135 1
1 599 . 7 1 1 A 76 76 GLN HA H 76 4.490 4.342 0.148 1
1 606 . 7 1 1 A 76 76 GLN CA C 76 55.900 54.776 1.124 1
1 607 . 7 1 1 A 76 76 GLN CB C 76 29.600 27.076 2.524 1
1 609 . 7 1 1 A 76 76 GLN N N 76 119.200 121.875 -2.675 1
1 611 . 7 1 1 A 77 77 THR H H 77 8.100 8.686 -0.586 1
1 612 . 7 1 1 A 77 77 THR HA H 77 4.420 4.471 -0.051 1
1 617 . 7 1 1 A 77 77 THR CA C 77 61.300 63.523 -2.223 1
1 618 . 7 1 1 A 77 77 THR CB C 77 69.700 70.009 -0.309 1
1 620 . 7 1 1 A 77 77 THR N N 77 113.000 117.947 -4.947 1
1 621 . 7 1 1 A 78 78 GLU H H 78 8.450 8.252 0.198 1
1 622 . 7 1 1 A 78 78 GLU HA H 78 4.250 4.309 -0.059 1
1 627 . 7 1 1 A 78 78 GLU CA C 78 56.900 58.473 -1.573 1
1 628 . 7 1 1 A 78 78 GLU CB C 78 29.500 29.517 -0.017 1
1 630 . 7 1 1 A 78 78 GLU N N 78 120.700 120.982 -0.282 1
1 631 . 7 1 1 A 79 79 ASN H H 79 8.320 8.916 -0.596 1
1 632 . 7 1 1 A 79 79 ASN HA H 79 4.600 4.464 0.136 1
1 637 . 7 1 1 A 79 79 ASN CA C 79 53.700 56.332 -2.632 1
1 638 . 7 1 1 A 79 79 ASN CB C 79 38.600 38.818 -0.218 1
1 639 . 7 1 1 A 79 79 ASN N N 79 117.000 118.130 -1.130 1
1 641 . 7 1 1 A 80 80 LYS H H 80 7.910 7.779 0.131 1
1 642 . 7 1 1 A 80 80 LYS HA H 80 4.300 4.330 -0.030 1
1 651 . 7 1 1 A 80 80 LYS CA C 80 56.000 55.324 0.676 1
1 652 . 7 1 1 A 80 80 LYS CB C 80 33.300 31.890 1.410 1
1 656 . 7 1 1 A 80 80 LYS N N 80 118.800 114.036 4.764 1
1 657 . 7 1 1 A 81 81 ILE H H 81 8.340 8.018 0.322 1
1 658 . 7 1 1 A 81 81 ILE HA H 81 4.300 4.262 0.038 1
1 668 . 7 1 1 A 81 81 ILE CA C 81 60.500 63.038 -2.538 1
1 669 . 7 1 1 A 81 81 ILE CB C 81 39.800 36.979 2.821 1
1 673 . 7 1 1 A 81 81 ILE N N 81 119.600 116.684 2.916 1
1 674 . 7 1 1 A 82 82 HIS H H 82 8.470 8.961 -0.491 1
1 675 . 7 1 1 A 82 82 HIS HA H 82 4.780 4.753 0.027 1
1 680 . 7 1 1 A 82 82 HIS CA C 82 54.700 55.535 -0.835 1
1 681 . 7 1 1 A 82 82 HIS CB C 82 28.900 30.759 -1.859 1
1 684 . 7 1 1 A 82 82 HIS N N 82 121.600 124.594 -2.994 1
1 685 . 7 1 1 A 83 83 GLY H H 83 8.340 8.109 0.231 1
1 686 . 7 1 1 A 83 83 GLY HA2 H 83 3.690 3.868 -0.178 1
1 687 . 7 1 1 A 83 83 GLY HA3 H 83 4.190 3.883 0.307 1
1 688 . 7 1 1 A 83 83 GLY CA C 83 45.000 45.608 -0.608 1
1 689 . 7 1 1 A 83 83 GLY N N 83 111.600 107.929 3.671 1
1 690 . 7 1 1 A 84 84 THR H H 84 8.120 8.605 -0.485 1
1 691 . 7 1 1 A 84 84 THR HA H 84 5.030 5.447 -0.417 1
1 696 . 7 1 1 A 84 84 THR CA C 84 60.100 59.662 0.438 1
1 697 . 7 1 1 A 84 84 THR CB C 84 72.000 71.937 0.063 1
1 699 . 7 1 1 A 84 84 THR N N 84 112.300 113.451 -1.151 1
1 700 . 7 1 1 A 85 85 ALA H H 85 8.840 9.135 -0.295 1
1 701 . 7 1 1 A 85 85 ALA HA H 85 4.950 5.206 -0.256 1
1 705 . 7 1 1 A 85 85 ALA CA C 85 51.200 51.419 -0.219 1
1 706 . 7 1 1 A 85 85 ALA CB C 85 23.800 22.774 1.026 1
1 707 . 7 1 1 A 85 85 ALA N N 85 122.500 121.948 0.552 1
1 708 . 7 1 1 A 86 86 ASP H H 86 8.510 9.010 -0.500 1
1 709 . 7 1 1 A 86 86 ASP HA H 86 5.200 5.381 -0.181 1
1 712 . 7 1 1 A 86 86 ASP CA C 86 53.400 52.519 0.881 1
1 713 . 7 1 1 A 86 86 ASP CB C 86 43.100 42.222 0.878 1
1 714 . 7 1 1 A 86 86 ASP N N 86 121.400 121.015 0.385 1
1 715 . 7 1 1 A 87 87 ILE H H 87 7.970 8.528 -0.558 1
1 716 . 7 1 1 A 87 87 ILE HA H 87 5.370 5.188 0.182 1
1 726 . 7 1 1 A 87 87 ILE CA C 87 58.200 59.256 -1.056 1
1 727 . 7 1 1 A 87 87 ILE CB C 87 41.200 40.733 0.467 1
1 731 . 7 1 1 A 87 87 ILE N N 87 111.200 119.897 -8.697 1
1 732 . 7 1 1 A 88 88 TYR H H 88 8.750 9.715 -0.965 1
1 733 . 7 1 1 A 88 88 TYR HA H 88 5.440 5.367 0.073 1
1 740 . 7 1 1 A 88 88 TYR CA C 88 56.900 56.227 0.673 1
1 741 . 7 1 1 A 88 88 TYR CB C 88 44.000 43.373 0.627 1
1 744 . 7 1 1 A 88 88 TYR N N 88 118.000 121.378 -3.378 1
1 745 . 7 1 1 A 89 89 LYS H H 89 9.590 9.386 0.204 1
1 746 . 7 1 1 A 89 89 LYS HA H 89 5.170 5.281 -0.111 1
1 755 . 7 1 1 A 89 89 LYS CA C 89 54.400 54.317 0.083 1
1 756 . 7 1 1 A 89 89 LYS CB C 89 36.800 35.523 1.277 1
1 760 . 7 1 1 A 89 89 LYS N N 89 123.500 120.534 2.966 1
1 761 . 7 1 1 A 90 90 LYS H H 90 10.190 8.972 1.218 1
1 762 . 7 1 1 A 90 90 LYS HA H 90 3.810 4.359 -0.549 1
1 771 . 7 1 1 A 90 90 LYS CA C 90 57.500 55.953 1.547 1
1 772 . 7 1 1 A 90 90 LYS CB C 90 32.700 33.633 -0.933 1
1 776 . 7 1 1 A 90 90 LYS N N 90 129.200 122.353 6.847 1
1 777 . 7 1 1 A 91 91 LYS H H 91 8.450 7.937 0.513 1
1 778 . 7 1 1 A 91 91 LYS HA H 91 4.100 4.531 -0.431 1
1 787 . 7 1 1 A 91 91 LYS CA C 91 57.300 54.481 2.819 1
1 788 . 7 1 1 A 91 91 LYS CB C 91 33.100 34.098 -0.998 1
1 792 . 7 1 1 A 91 91 LYS N N 91 125.900 125.386 0.514 1
1 793 . 7 1 1 A 92 92 LEU H H 92 8.270 8.276 -0.006 1
1 794 . 7 1 1 A 92 92 LEU HA H 92 4.280 4.614 -0.334 1
1 804 . 7 1 1 A 92 92 LEU CA C 92 54.600 54.229 0.371 1
1 805 . 7 1 1 A 92 92 LEU CB C 92 42.100 42.137 -0.037 1
1 809 . 7 1 1 A 92 92 LEU N N 92 123.200 118.527 4.673 1
1 810 . 7 1 1 A 93 93 GLU H H 93 8.310 7.294 1.016 1
1 811 . 7 1 1 A 93 93 GLU HA H 93 4.220 5.054 -0.834 1
1 816 . 7 1 1 A 93 93 GLU CA C 93 55.700 54.678 1.022 1
1 817 . 7 1 1 A 93 93 GLU CB C 93 30.200 32.331 -2.131 1
1 819 . 7 1 1 A 93 93 GLU N N 93 122.000 121.195 0.805 1
1 820 . 7 1 1 A 94 94 HIS H H 94 8.570 8.848 -0.278 1
1 821 . 7 1 1 A 94 94 HIS HA H 94 4.630 5.029 -0.399 1
1 826 . 7 1 1 A 94 94 HIS CA C 94 55.000 54.799 0.201 1
1 827 . 7 1 1 A 94 94 HIS CB C 94 28.900 34.444 -5.544 1
1 830 . 7 1 1 A 94 94 HIS N N 94 119.700 124.052 -4.352 1
1 831 . 7 1 1 A 95 95 HIS H H 95 8.610 9.218 -0.608 1
1 832 . 7 1 1 A 95 95 HIS HA H 95 4.650 4.649 0.001 1
1 837 . 7 1 1 A 95 95 HIS CA C 95 55.200 56.264 -1.064 1
1 838 . 7 1 1 A 95 95 HIS CB C 95 28.900 30.718 -1.818 1
1 841 . 7 1 1 A 95 95 HIS N N 95 119.300 117.498 1.802 1
1 842 . 7 1 1 A 96 96 HIS H H 96 8.680 8.713 -0.033 1
1 843 . 7 1 1 A 96 96 HIS HA H 96 4.660 4.264 0.396 1
1 848 . 7 1 1 A 96 96 HIS CA C 96 55.200 58.789 -3.589 1
1 849 . 7 1 1 A 96 96 HIS CB C 96 29.100 30.092 -0.992 1
1 852 . 7 1 1 A 96 96 HIS N N 96 120.100 120.411 -0.311 1
1 853 . 7 1 1 A 97 97 HIS H H 97 8.580 7.738 0.842 1
1 854 . 7 1 1 A 97 97 HIS HA H 97 4.660 4.498 0.162 1
1 859 . 7 1 1 A 97 97 HIS CA C 97 55.400 55.999 -0.599 1
1 860 . 7 1 1 A 97 97 HIS CB C 97 29.200 29.633 -0.433 1
1 863 . 7 1 1 A 97 97 HIS N N 97 120.400 120.021 0.379 1
1 864 . 7 1 1 A 98 98 HIS H H 98 8.390 8.762 -0.372 1
1 865 . 7 1 1 A 98 98 HIS HA H 98 4.620 4.675 -0.055 1
1 870 . 7 1 1 A 98 98 HIS CA C 98 55.500 54.508 0.992 1
1 871 . 7 1 1 A 98 98 HIS CB C 98 29.100 27.407 1.693 1
1 1 . 8 1 1 A 22 22 ALA HA H 22 4.130 4.761 -0.631 1
1 5 . 8 1 1 A 22 22 ALA CA C 22 50.900 53.271 -2.371 1
1 6 . 8 1 1 A 22 22 ALA CB C 22 20.200 19.052 1.148 1
1 7 . 8 1 1 A 23 23 GLU H H 23 7.920 9.119 -1.199 1
1 8 . 8 1 1 A 23 23 GLU HA H 23 4.710 4.900 -0.190 1
1 13 . 8 1 1 A 23 23 GLU CA C 23 54.300 54.970 -0.670 1
1 14 . 8 1 1 A 23 23 GLU CB C 23 32.500 33.971 -1.471 1
1 16 . 8 1 1 A 23 23 GLU N N 23 117.600 122.648 -5.048 1
1 17 . 8 1 1 A 24 24 ILE H H 24 8.870 9.046 -0.176 1
1 18 . 8 1 1 A 24 24 ILE HA H 24 4.870 4.848 0.022 1
1 28 . 8 1 1 A 24 24 ILE CA C 24 60.200 60.765 -0.565 1
1 29 . 8 1 1 A 24 24 ILE CB C 24 38.100 38.977 -0.877 1
1 33 . 8 1 1 A 24 24 ILE N N 24 123.800 126.505 -2.705 1
1 34 . 8 1 1 A 25 25 MET H H 25 8.720 8.726 -0.006 1
1 35 . 8 1 1 A 25 25 MET HA H 25 4.760 4.992 -0.232 1
1 40 . 8 1 1 A 25 25 MET CA C 25 54.300 54.168 0.132 1
1 41 . 8 1 1 A 25 25 MET CB C 25 37.100 34.033 3.067 1
1 43 . 8 1 1 A 25 25 MET N N 25 127.100 126.291 0.809 1
1 44 . 8 1 1 A 26 26 LYS H H 26 9.190 8.759 0.431 1
1 45 . 8 1 1 A 26 26 LYS HA H 26 4.320 4.302 0.018 1
1 54 . 8 1 1 A 26 26 LYS CA C 26 56.600 56.322 0.278 1
1 55 . 8 1 1 A 26 26 LYS CB C 26 32.900 33.230 -0.330 1
1 59 . 8 1 1 A 26 26 LYS N N 26 123.500 121.252 2.248 1
1 60 . 8 1 1 A 27 27 LYS H H 27 8.870 8.977 -0.107 1
1 61 . 8 1 1 A 27 27 LYS HA H 27 3.860 4.033 -0.173 1
1 70 . 8 1 1 A 27 27 LYS CA C 27 60.500 59.036 1.464 1
1 71 . 8 1 1 A 27 27 LYS CB C 27 32.400 32.226 0.174 1
1 75 . 8 1 1 A 27 27 LYS N N 27 126.200 123.979 2.221 1
1 76 . 8 1 1 A 28 28 THR H H 28 8.110 8.094 0.016 1
1 77 . 8 1 1 A 28 28 THR HA H 28 4.130 4.065 0.065 1
1 82 . 8 1 1 A 28 28 THR CA C 28 64.600 65.641 -1.041 1
1 83 . 8 1 1 A 28 28 THR CB C 28 68.000 68.324 -0.324 1
1 85 . 8 1 1 A 28 28 THR N N 28 107.100 114.951 -7.851 1
1 86 . 8 1 1 A 29 29 ASP H H 29 6.770 8.321 -1.551 1
1 87 . 8 1 1 A 29 29 ASP HA H 29 4.580 4.226 0.354 1
1 90 . 8 1 1 A 29 29 ASP CA C 29 56.600 57.410 -0.810 1
1 91 . 8 1 1 A 29 29 ASP CB C 29 40.600 40.329 0.271 1
1 92 . 8 1 1 A 29 29 ASP N N 29 119.500 123.359 -3.859 1
1 93 . 8 1 1 A 30 30 PHE H H 30 8.630 8.806 -0.176 1
1 94 . 8 1 1 A 30 30 PHE HA H 30 3.930 3.964 -0.034 1
1 102 . 8 1 1 A 30 30 PHE CA C 30 60.800 61.157 -0.357 1
1 103 . 8 1 1 A 30 30 PHE CB C 30 38.900 39.208 -0.308 1
1 107 . 8 1 1 A 30 30 PHE N N 30 123.300 122.563 0.737 1
1 108 . 8 1 1 A 31 31 ASP H H 31 8.650 7.962 0.688 1
1 109 . 8 1 1 A 31 31 ASP HA H 31 4.150 3.940 0.210 1
1 112 . 8 1 1 A 31 31 ASP CA C 31 57.000 57.208 -0.208 1
1 113 . 8 1 1 A 31 31 ASP CB C 31 39.800 41.155 -1.355 1
1 114 . 8 1 1 A 31 31 ASP N N 31 117.000 118.595 -1.595 1
1 115 . 8 1 1 A 32 32 LYS H H 32 6.930 7.405 -0.475 1
1 116 . 8 1 1 A 32 32 LYS HA H 32 4.110 4.054 0.056 1
1 125 . 8 1 1 A 32 32 LYS CA C 32 58.300 58.682 -0.382 1
1 126 . 8 1 1 A 32 32 LYS CB C 32 33.100 32.573 0.527 1
1 130 . 8 1 1 A 32 32 LYS N N 32 114.800 118.675 -3.875 1
1 131 . 8 1 1 A 33 33 VAL H H 33 7.400 8.019 -0.619 1
1 132 . 8 1 1 A 33 33 VAL HA H 33 4.620 3.764 0.856 1
1 140 . 8 1 1 A 33 33 VAL CA C 33 60.100 63.617 -3.517 1
1 141 . 8 1 1 A 33 33 VAL CB C 33 32.300 31.062 1.238 1
1 144 . 8 1 1 A 33 33 VAL N N 33 109.100 116.182 -7.082 1
1 145 . 8 1 1 A 34 34 ALA H H 34 6.710 8.064 -1.354 1
1 146 . 8 1 1 A 34 34 ALA HA H 34 3.010 3.517 -0.507 1
1 150 . 8 1 1 A 34 34 ALA CA C 34 55.100 54.477 0.623 1
1 151 . 8 1 1 A 34 34 ALA CB C 34 19.200 17.713 1.487 1
1 152 . 8 1 1 A 34 34 ALA N N 34 124.300 124.925 -0.625 1
1 153 . 8 1 1 A 35 35 SER H H 35 8.120 8.023 0.097 1
1 154 . 8 1 1 A 35 35 SER HA H 35 4.320 3.993 0.327 1
1 157 . 8 1 1 A 35 35 SER CA C 35 60.400 61.146 -0.746 1
1 158 . 8 1 1 A 35 35 SER CB C 35 62.400 62.947 -0.547 1
1 159 . 8 1 1 A 35 35 SER N N 35 110.400 112.850 -2.450 1
1 160 . 8 1 1 A 36 36 GLU H H 36 8.300 7.785 0.515 1
1 161 . 8 1 1 A 36 36 GLU HA H 36 4.270 4.453 -0.183 1
1 166 . 8 1 1 A 36 36 GLU CA C 36 55.700 56.184 -0.484 1
1 167 . 8 1 1 A 36 36 GLU CB C 36 28.900 30.069 -1.169 1
1 169 . 8 1 1 A 36 36 GLU N N 36 119.200 117.479 1.721 1
1 170 . 8 1 1 A 37 37 TYR H H 37 7.920 7.386 0.534 1
1 171 . 8 1 1 A 37 37 TYR HA H 37 5.150 5.485 -0.335 1
1 178 . 8 1 1 A 37 37 TYR CA C 37 57.900 56.217 1.683 1
1 179 . 8 1 1 A 37 37 TYR CB C 37 44.100 42.435 1.665 1
1 182 . 8 1 1 A 37 37 TYR N N 37 117.200 119.669 -2.469 1
1 183 . 8 1 1 A 38 38 THR H H 38 9.480 9.243 0.237 1
1 184 . 8 1 1 A 38 38 THR HA H 38 4.840 5.021 -0.181 1
1 189 . 8 1 1 A 38 38 THR CA C 38 60.400 61.332 -0.932 1
1 190 . 8 1 1 A 38 38 THR CB C 38 71.200 72.394 -1.194 1
1 192 . 8 1 1 A 38 38 THR N N 38 115.400 116.284 -0.884 1
1 193 . 8 1 1 A 39 39 LYS H H 39 9.290 8.983 0.307 1
1 194 . 8 1 1 A 39 39 LYS HA H 39 3.880 4.268 -0.388 1
1 203 . 8 1 1 A 39 39 LYS CA C 39 57.500 56.287 1.213 1
1 204 . 8 1 1 A 39 39 LYS CB C 39 32.300 32.586 -0.286 1
1 208 . 8 1 1 A 39 39 LYS N N 39 130.400 128.565 1.835 1
1 209 . 8 1 1 A 40 40 ILE H H 40 8.820 8.718 0.102 1
1 210 . 8 1 1 A 40 40 ILE HA H 40 4.550 4.556 -0.006 1
1 220 . 8 1 1 A 40 40 ILE CA C 40 60.900 60.933 -0.033 1
1 221 . 8 1 1 A 40 40 ILE CB C 40 39.200 38.580 0.620 1
1 225 . 8 1 1 A 40 40 ILE N N 40 121.900 122.274 -0.374 1
1 226 . 8 1 1 A 41 41 GLY H H 41 7.130 7.074 0.056 1
1 227 . 8 1 1 A 41 41 GLY HA2 H 41 3.950 3.988 -0.038 1
1 228 . 8 1 1 A 41 41 GLY HA3 H 41 4.260 3.997 0.263 1
1 229 . 8 1 1 A 41 41 GLY CA C 41 45.100 44.551 0.549 1
1 230 . 8 1 1 A 41 41 GLY N N 41 107.400 109.322 -1.922 1
1 231 . 8 1 1 A 42 42 THR H H 42 8.210 8.213 -0.003 1
1 232 . 8 1 1 A 42 42 THR HA H 42 5.230 4.984 0.246 1
1 237 . 8 1 1 A 42 42 THR CA C 42 60.900 61.340 -0.440 1
1 238 . 8 1 1 A 42 42 THR CB C 42 72.300 71.095 1.205 1
1 240 . 8 1 1 A 42 42 THR N N 42 115.100 115.350 -0.250 1
1 241 . 8 1 1 A 43 43 ILE H H 43 9.130 9.202 -0.072 1
1 242 . 8 1 1 A 43 43 ILE HA H 43 4.790 5.236 -0.446 1
1 252 . 8 1 1 A 43 43 ILE CA C 43 59.400 58.980 0.420 1
1 253 . 8 1 1 A 43 43 ILE CB C 43 42.600 42.306 0.294 1
1 257 . 8 1 1 A 43 43 ILE N N 43 118.000 119.186 -1.186 1
1 258 . 8 1 1 A 44 44 SER H H 44 8.330 8.496 -0.166 1
1 259 . 8 1 1 A 44 44 SER HA H 44 5.250 4.927 0.323 1
1 262 . 8 1 1 A 44 44 SER CA C 44 56.700 57.403 -0.703 1
1 263 . 8 1 1 A 44 44 SER CB C 44 66.000 66.294 -0.294 1
1 264 . 8 1 1 A 44 44 SER N N 44 113.300 115.252 -1.952 1
1 265 . 8 1 1 A 45 45 THR H H 45 8.380 8.384 -0.004 1
1 266 . 8 1 1 A 45 45 THR HA H 45 4.550 5.339 -0.789 1
1 271 . 8 1 1 A 45 45 THR CA C 45 60.900 60.435 0.465 1
1 272 . 8 1 1 A 45 45 THR CB C 45 70.000 71.828 -1.828 1
1 274 . 8 1 1 A 45 45 THR N N 45 113.300 111.045 2.255 1
1 275 . 8 1 1 A 46 46 THR H H 46 8.540 8.648 -0.108 1
1 276 . 8 1 1 A 46 46 THR HA H 46 4.400 5.099 -0.699 1
1 281 . 8 1 1 A 46 46 THR CA C 46 62.000 60.927 1.073 1
1 282 . 8 1 1 A 46 46 THR CB C 46 69.300 72.306 -3.006 1
1 284 . 8 1 1 A 46 46 THR N N 46 117.700 116.005 1.695 1
1 285 . 8 1 1 A 47 47 GLY H H 47 8.320 8.325 -0.005 1
1 286 . 8 1 1 A 47 47 GLY HA2 H 47 3.890 4.235 -0.345 1
1 287 . 8 1 1 A 47 47 GLY HA3 H 47 3.980 4.237 -0.257 1
1 288 . 8 1 1 A 47 47 GLY CA C 47 44.800 45.416 -0.616 1
1 289 . 8 1 1 A 47 47 GLY N N 47 111.700 110.892 0.808 1
1 290 . 8 1 1 A 48 48 GLU H H 48 8.430 8.646 -0.216 1
1 291 . 8 1 1 A 48 48 GLU HA H 48 4.390 5.323 -0.933 1
1 296 . 8 1 1 A 48 48 GLU CA C 48 55.600 54.741 0.859 1
1 297 . 8 1 1 A 48 48 GLU CB C 48 29.400 32.224 -2.824 1
1 299 . 8 1 1 A 48 48 GLU N N 48 120.100 122.099 -1.999 1
1 300 . 8 1 1 A 49 49 MET H H 49 8.390 8.681 -0.291 1
1 301 . 8 1 1 A 49 49 MET HA H 49 4.700 5.084 -0.384 1
1 306 . 8 1 1 A 49 49 MET CA C 49 55.000 54.078 0.922 1
1 307 . 8 1 1 A 49 49 MET CB C 49 35.900 37.837 -1.937 1
1 309 . 8 1 1 A 49 49 MET N N 49 120.000 122.682 -2.682 1
1 310 . 8 1 1 A 50 50 SER H H 50 9.020 8.764 0.256 1
1 311 . 8 1 1 A 50 50 SER HA H 50 4.780 4.845 -0.065 1
1 314 . 8 1 1 A 50 50 SER CA C 50 57.700 56.286 1.414 1
1 315 . 8 1 1 A 50 50 SER CB C 50 62.600 64.023 -1.423 1
1 316 . 8 1 1 A 50 50 SER N N 50 117.900 116.411 1.489 1
1 317 . 8 1 1 A 51 51 PRO HA H 51 4.240 4.305 -0.065 1
1 324 . 8 1 1 A 51 51 PRO CA C 51 66.000 65.863 0.137 1
1 325 . 8 1 1 A 51 51 PRO CB C 51 31.800 31.708 0.092 1
1 328 . 8 1 1 A 52 52 LEU H H 52 8.160 7.705 0.455 1
1 329 . 8 1 1 A 52 52 LEU HA H 52 4.110 4.032 0.078 1
1 339 . 8 1 1 A 52 52 LEU CA C 52 57.900 57.447 0.453 1
1 340 . 8 1 1 A 52 52 LEU CB C 52 41.400 41.281 0.119 1
1 344 . 8 1 1 A 52 52 LEU N N 52 117.600 117.122 0.478 1
1 345 . 8 1 1 A 53 53 ASP H H 53 7.510 8.289 -0.779 1
1 346 . 8 1 1 A 53 53 ASP HA H 53 4.420 4.377 0.043 1
1 349 . 8 1 1 A 53 53 ASP CA C 53 56.600 56.960 -0.360 1
1 350 . 8 1 1 A 53 53 ASP CB C 53 39.800 40.248 -0.448 1
1 351 . 8 1 1 A 53 53 ASP N N 53 119.900 119.763 0.137 1
1 352 . 8 1 1 A 54 54 ALA H H 54 8.800 8.565 0.235 1
1 353 . 8 1 1 A 54 54 ALA HA H 54 4.210 4.092 0.118 1
1 357 . 8 1 1 A 54 54 ALA CA C 54 54.700 55.024 -0.324 1
1 358 . 8 1 1 A 54 54 ALA CB C 54 18.200 18.316 -0.116 1
1 359 . 8 1 1 A 54 54 ALA N N 54 123.400 122.664 0.736 1
1 360 . 8 1 1 A 55 55 ARG H H 55 7.860 7.865 -0.005 1
1 361 . 8 1 1 A 55 55 ARG HA H 55 3.730 4.116 -0.386 1
1 368 . 8 1 1 A 55 55 ARG CA C 55 60.200 59.933 0.267 1
1 369 . 8 1 1 A 55 55 ARG CB C 55 30.100 29.962 0.138 1
1 372 . 8 1 1 A 55 55 ARG N N 55 117.100 117.724 -0.624 1
1 373 . 8 1 1 A 56 56 GLU H H 56 7.630 8.526 -0.896 1
1 374 . 8 1 1 A 56 56 GLU HA H 56 4.000 4.052 -0.052 1
1 379 . 8 1 1 A 56 56 GLU CA C 56 58.800 59.289 -0.489 1
1 380 . 8 1 1 A 56 56 GLU CB C 56 28.300 29.362 -1.062 1
1 382 . 8 1 1 A 56 56 GLU N N 56 115.900 119.904 -4.004 1
1 383 . 8 1 1 A 57 57 ASP H H 57 8.120 7.954 0.166 1
1 384 . 8 1 1 A 57 57 ASP HA H 57 4.380 4.371 0.009 1
1 387 . 8 1 1 A 57 57 ASP CA C 57 57.400 56.624 0.776 1
1 388 . 8 1 1 A 57 57 ASP CB C 57 42.500 41.089 1.411 1
1 389 . 8 1 1 A 57 57 ASP N N 57 120.200 119.730 0.470 1
1 390 . 8 1 1 A 58 58 LEU H H 58 8.160 8.092 0.068 1
1 391 . 8 1 1 A 58 58 LEU HA H 58 3.860 4.034 -0.174 1
1 401 . 8 1 1 A 58 58 LEU CA C 58 57.500 57.943 -0.443 1
1 402 . 8 1 1 A 58 58 LEU CB C 58 41.400 41.831 -0.431 1
1 406 . 8 1 1 A 58 58 LEU N N 58 117.300 119.570 -2.270 1
1 407 . 8 1 1 A 59 59 ILE H H 59 8.020 8.645 -0.625 1
1 408 . 8 1 1 A 59 59 ILE HA H 59 3.300 3.594 -0.294 1
1 418 . 8 1 1 A 59 59 ILE CA C 59 65.700 64.568 1.132 1
1 419 . 8 1 1 A 59 59 ILE CB C 59 37.500 37.176 0.324 1
1 423 . 8 1 1 A 59 59 ILE N N 59 118.600 119.195 -0.595 1
1 424 . 8 1 1 A 60 60 LYS H H 60 7.890 8.237 -0.347 1
1 425 . 8 1 1 A 60 60 LYS HA H 60 4.090 3.995 0.095 1
1 434 . 8 1 1 A 60 60 LYS CA C 60 59.800 59.795 0.005 1
1 435 . 8 1 1 A 60 60 LYS CB C 60 31.900 32.100 -0.200 1
1 439 . 8 1 1 A 60 60 LYS N N 60 119.400 119.284 0.116 1
1 440 . 8 1 1 A 61 61 LYS H H 61 8.080 7.722 0.358 1
1 441 . 8 1 1 A 61 61 LYS HA H 61 3.980 4.066 -0.086 1
1 450 . 8 1 1 A 61 61 LYS CA C 61 59.200 58.985 0.215 1
1 451 . 8 1 1 A 61 61 LYS CB C 61 33.500 32.362 1.138 1
1 455 . 8 1 1 A 61 61 LYS N N 61 119.200 120.093 -0.893 1
1 456 . 8 1 1 A 62 62 ALA H H 62 8.490 8.325 0.165 1
1 457 . 8 1 1 A 62 62 ALA HA H 62 3.770 4.059 -0.289 1
1 461 . 8 1 1 A 62 62 ALA CA C 62 54.900 55.194 -0.294 1
1 462 . 8 1 1 A 62 62 ALA CB C 62 19.100 18.354 0.746 1
1 463 . 8 1 1 A 62 62 ALA N N 62 122.200 122.251 -0.051 1
1 464 . 8 1 1 A 63 63 ASP H H 63 8.850 8.420 0.430 1
1 465 . 8 1 1 A 63 63 ASP HA H 63 4.590 4.354 0.236 1
1 468 . 8 1 1 A 63 63 ASP CA C 63 56.900 57.822 -0.922 1
1 469 . 8 1 1 A 63 63 ASP CB C 63 39.000 41.827 -2.827 1
1 470 . 8 1 1 A 63 63 ASP N N 63 120.200 118.105 2.095 1
1 471 . 8 1 1 A 64 64 GLU H H 64 8.050 8.282 -0.232 1
1 472 . 8 1 1 A 64 64 GLU HA H 64 4.070 4.036 0.034 1
1 477 . 8 1 1 A 64 64 GLU CA C 64 58.800 59.221 -0.421 1
1 478 . 8 1 1 A 64 64 GLU CB C 64 29.000 29.487 -0.487 1
1 480 . 8 1 1 A 64 64 GLU N N 64 121.300 118.949 2.351 1
1 481 . 8 1 1 A 65 65 LYS H H 65 7.180 8.148 -0.968 1
1 482 . 8 1 1 A 65 65 LYS HA H 65 4.310 4.310 0.000 1
1 491 . 8 1 1 A 65 65 LYS CA C 65 54.800 57.361 -2.561 1
1 492 . 8 1 1 A 65 65 LYS CB C 65 33.000 33.273 -0.273 1
1 496 . 8 1 1 A 65 65 LYS N N 65 115.600 117.983 -2.383 1
1 497 . 8 1 1 A 66 66 GLY H H 66 7.870 8.319 -0.449 1
1 498 . 8 1 1 A 66 66 GLY HA2 H 66 3.860 3.971 -0.111 1
1 499 . 8 1 1 A 66 66 GLY HA3 H 66 3.980 3.975 0.005 1
1 500 . 8 1 1 A 66 66 GLY CA C 66 45.700 46.007 -0.307 1
1 501 . 8 1 1 A 66 66 GLY N N 66 107.500 106.617 0.883 1
1 502 . 8 1 1 A 67 67 ALA H H 67 7.920 8.180 -0.260 1
1 503 . 8 1 1 A 67 67 ALA HA H 67 4.020 4.762 -0.742 1
1 507 . 8 1 1 A 67 67 ALA CA C 67 51.700 50.756 0.944 1
1 508 . 8 1 1 A 67 67 ALA CB C 67 21.100 22.256 -1.156 1
1 509 . 8 1 1 A 67 67 ALA N N 67 118.900 123.764 -4.864 1
1 510 . 8 1 1 A 68 68 ASP H H 68 8.790 9.014 -0.224 1
1 511 . 8 1 1 A 68 68 ASP HA H 68 5.070 4.857 0.213 1
1 514 . 8 1 1 A 68 68 ASP CA C 68 56.500 55.266 1.234 1
1 515 . 8 1 1 A 68 68 ASP CB C 68 44.900 41.782 3.118 1
1 516 . 8 1 1 A 68 68 ASP N N 68 116.500 119.234 -2.734 1
1 517 . 8 1 1 A 69 69 VAL H H 69 8.070 7.700 0.370 1
1 518 . 8 1 1 A 69 69 VAL HA H 69 5.130 5.239 -0.109 1
1 526 . 8 1 1 A 69 69 VAL CA C 69 60.300 60.640 -0.340 1
1 527 . 8 1 1 A 69 69 VAL CB C 69 37.400 35.641 1.759 1
1 530 . 8 1 1 A 69 69 VAL N N 69 118.400 117.777 0.623 1
1 531 . 8 1 1 A 70 70 VAL H H 70 8.720 8.594 0.126 1
1 532 . 8 1 1 A 70 70 VAL HA H 70 4.550 5.086 -0.536 1
1 540 . 8 1 1 A 70 70 VAL CA C 70 59.800 60.940 -1.140 1
1 541 . 8 1 1 A 70 70 VAL CB C 70 34.200 34.971 -0.771 1
1 544 . 8 1 1 A 70 70 VAL N N 70 127.300 126.391 0.909 1
1 545 . 8 1 1 A 71 71 VAL H H 71 8.890 9.052 -0.162 1
1 546 . 8 1 1 A 71 71 VAL HA H 71 4.550 4.603 -0.053 1
1 554 . 8 1 1 A 71 71 VAL CA C 71 60.800 60.731 0.069 1
1 555 . 8 1 1 A 71 71 VAL CB C 71 34.000 33.663 0.337 1
1 558 . 8 1 1 A 71 71 VAL N N 71 126.700 127.120 -0.420 1
1 559 . 8 1 1 A 72 72 LEU H H 72 8.800 8.811 -0.011 1
1 560 . 8 1 1 A 72 72 LEU HA H 72 4.440 4.504 -0.064 1
1 570 . 8 1 1 A 72 72 LEU CA C 72 55.700 54.345 1.355 1
1 571 . 8 1 1 A 72 72 LEU CB C 72 41.500 40.884 0.616 1
1 575 . 8 1 1 A 72 72 LEU N N 72 127.400 128.503 -1.103 1
1 576 . 8 1 1 A 73 73 THR H H 73 8.630 7.992 0.638 1
1 577 . 8 1 1 A 73 73 THR HA H 73 4.430 4.348 0.082 1
1 582 . 8 1 1 A 73 73 THR CA C 73 61.500 61.773 -0.273 1
1 583 . 8 1 1 A 73 73 THR CB C 73 69.400 69.098 0.302 1
1 585 . 8 1 1 A 73 73 THR N N 73 114.000 115.786 -1.786 1
1 586 . 8 1 1 A 74 74 SER H H 74 8.130 7.290 0.840 1
1 587 . 8 1 1 A 74 74 SER HA H 74 4.540 4.346 0.194 1
1 590 . 8 1 1 A 74 74 SER CA C 74 58.000 59.343 -1.343 1
1 591 . 8 1 1 A 74 74 SER CB C 74 63.800 64.270 -0.470 1
1 592 . 8 1 1 A 74 74 SER N N 74 116.000 119.386 -3.386 1
1 593 . 8 1 1 A 75 75 GLY H H 75 8.570 8.678 -0.108 1
1 594 . 8 1 1 A 75 75 GLY HA2 H 75 4.040 4.015 0.025 1
1 595 . 8 1 1 A 75 75 GLY HA3 H 75 4.040 4.038 0.002 1
1 596 . 8 1 1 A 75 75 GLY CA C 75 45.100 46.442 -1.342 1
1 597 . 8 1 1 A 75 75 GLY N N 75 109.800 113.170 -3.370 1
1 598 . 8 1 1 A 76 76 GLN H H 76 8.390 8.566 -0.176 1
1 599 . 8 1 1 A 76 76 GLN HA H 76 4.490 4.374 0.116 1
1 606 . 8 1 1 A 76 76 GLN CA C 76 55.900 54.398 1.502 1
1 607 . 8 1 1 A 76 76 GLN CB C 76 29.600 27.639 1.961 1
1 609 . 8 1 1 A 76 76 GLN N N 76 119.200 125.368 -6.168 1
1 611 . 8 1 1 A 77 77 THR H H 77 8.100 8.536 -0.436 1
1 612 . 8 1 1 A 77 77 THR HA H 77 4.420 4.008 0.412 1
1 617 . 8 1 1 A 77 77 THR CA C 77 61.300 65.070 -3.770 1
1 618 . 8 1 1 A 77 77 THR CB C 77 69.700 69.233 0.467 1
1 620 . 8 1 1 A 77 77 THR N N 77 113.000 118.665 -5.665 1
1 621 . 8 1 1 A 78 78 GLU H H 78 8.450 7.218 1.232 1
1 622 . 8 1 1 A 78 78 GLU HA H 78 4.250 4.532 -0.282 1
1 627 . 8 1 1 A 78 78 GLU CA C 78 56.900 57.783 -0.883 1
1 628 . 8 1 1 A 78 78 GLU CB C 78 29.500 30.694 -1.194 1
1 630 . 8 1 1 A 78 78 GLU N N 78 120.700 116.079 4.621 1
1 631 . 8 1 1 A 79 79 ASN H H 79 8.320 8.309 0.011 1
1 632 . 8 1 1 A 79 79 ASN HA H 79 4.600 5.032 -0.432 1
1 637 . 8 1 1 A 79 79 ASN CA C 79 53.700 55.568 -1.868 1
1 638 . 8 1 1 A 79 79 ASN CB C 79 38.600 39.300 -0.700 1
1 639 . 8 1 1 A 79 79 ASN N N 79 117.000 118.364 -1.364 1
1 641 . 8 1 1 A 80 80 LYS H H 80 7.910 7.671 0.239 1
1 642 . 8 1 1 A 80 80 LYS HA H 80 4.300 4.738 -0.438 1
1 651 . 8 1 1 A 80 80 LYS CA C 80 56.000 55.600 0.400 1
1 652 . 8 1 1 A 80 80 LYS CB C 80 33.300 33.442 -0.142 1
1 656 . 8 1 1 A 80 80 LYS N N 80 118.800 115.514 3.286 1
1 657 . 8 1 1 A 81 81 ILE H H 81 8.340 8.767 -0.427 1
1 658 . 8 1 1 A 81 81 ILE HA H 81 4.300 4.923 -0.623 1
1 668 . 8 1 1 A 81 81 ILE CA C 81 60.500 59.346 1.154 1
1 669 . 8 1 1 A 81 81 ILE CB C 81 39.800 41.784 -1.984 1
1 673 . 8 1 1 A 81 81 ILE N N 81 119.600 120.426 -0.826 1
1 674 . 8 1 1 A 82 82 HIS H H 82 8.470 9.026 -0.556 1
1 675 . 8 1 1 A 82 82 HIS HA H 82 4.780 5.032 -0.252 1
1 680 . 8 1 1 A 82 82 HIS CA C 82 54.700 54.388 0.312 1
1 681 . 8 1 1 A 82 82 HIS CB C 82 28.900 29.775 -0.875 1
1 684 . 8 1 1 A 82 82 HIS N N 82 121.600 124.841 -3.241 1
1 685 . 8 1 1 A 83 83 GLY H H 83 8.340 8.716 -0.376 1
1 686 . 8 1 1 A 83 83 GLY HA2 H 83 3.690 3.829 -0.139 1
1 687 . 8 1 1 A 83 83 GLY HA3 H 83 4.190 3.847 0.343 1
1 688 . 8 1 1 A 83 83 GLY CA C 83 45.000 45.157 -0.157 1
1 689 . 8 1 1 A 83 83 GLY N N 83 111.600 113.504 -1.904 1
1 690 . 8 1 1 A 84 84 THR H H 84 8.120 8.906 -0.786 1
1 691 . 8 1 1 A 84 84 THR HA H 84 5.030 5.083 -0.053 1
1 696 . 8 1 1 A 84 84 THR CA C 84 60.100 60.617 -0.517 1
1 697 . 8 1 1 A 84 84 THR CB C 84 72.000 72.819 -0.819 1
1 699 . 8 1 1 A 84 84 THR N N 84 112.300 117.049 -4.749 1
1 700 . 8 1 1 A 85 85 ALA H H 85 8.840 8.780 0.060 1
1 701 . 8 1 1 A 85 85 ALA HA H 85 4.950 5.242 -0.292 1
1 705 . 8 1 1 A 85 85 ALA CA C 85 51.200 51.652 -0.452 1
1 706 . 8 1 1 A 85 85 ALA CB C 85 23.800 22.777 1.023 1
1 707 . 8 1 1 A 85 85 ALA N N 85 122.500 123.441 -0.941 1
1 708 . 8 1 1 A 86 86 ASP H H 86 8.510 9.105 -0.595 1
1 709 . 8 1 1 A 86 86 ASP HA H 86 5.200 5.429 -0.229 1
1 712 . 8 1 1 A 86 86 ASP CA C 86 53.400 52.455 0.945 1
1 713 . 8 1 1 A 86 86 ASP CB C 86 43.100 42.727 0.373 1
1 714 . 8 1 1 A 86 86 ASP N N 86 121.400 121.028 0.372 1
1 715 . 8 1 1 A 87 87 ILE H H 87 7.970 8.307 -0.337 1
1 716 . 8 1 1 A 87 87 ILE HA H 87 5.370 5.166 0.204 1
1 726 . 8 1 1 A 87 87 ILE CA C 87 58.200 59.266 -1.066 1
1 727 . 8 1 1 A 87 87 ILE CB C 87 41.200 40.194 1.006 1
1 731 . 8 1 1 A 87 87 ILE N N 87 111.200 120.391 -9.191 1
1 732 . 8 1 1 A 88 88 TYR H H 88 8.750 9.489 -0.739 1
1 733 . 8 1 1 A 88 88 TYR HA H 88 5.440 5.234 0.206 1
1 740 . 8 1 1 A 88 88 TYR CA C 88 56.900 56.117 0.783 1
1 741 . 8 1 1 A 88 88 TYR CB C 88 44.000 43.462 0.538 1
1 744 . 8 1 1 A 88 88 TYR N N 88 118.000 121.648 -3.648 1
1 745 . 8 1 1 A 89 89 LYS H H 89 9.590 8.988 0.602 1
1 746 . 8 1 1 A 89 89 LYS HA H 89 5.170 4.880 0.290 1
1 755 . 8 1 1 A 89 89 LYS CA C 89 54.400 53.861 0.539 1
1 756 . 8 1 1 A 89 89 LYS CB C 89 36.800 36.217 0.583 1
1 760 . 8 1 1 A 89 89 LYS N N 89 123.500 119.643 3.857 1
1 761 . 8 1 1 A 90 90 LYS H H 90 10.190 8.077 2.113 1
1 762 . 8 1 1 A 90 90 LYS HA H 90 3.810 4.222 -0.412 1
1 771 . 8 1 1 A 90 90 LYS CA C 90 57.500 56.738 0.762 1
1 772 . 8 1 1 A 90 90 LYS CB C 90 32.700 32.947 -0.247 1
1 776 . 8 1 1 A 90 90 LYS N N 90 129.200 121.349 7.851 1
1 777 . 8 1 1 A 91 91 LYS H H 91 8.450 8.845 -0.395 1
1 778 . 8 1 1 A 91 91 LYS HA H 91 4.100 4.423 -0.323 1
1 787 . 8 1 1 A 91 91 LYS CA C 91 57.300 55.872 1.428 1
1 788 . 8 1 1 A 91 91 LYS CB C 91 33.100 33.371 -0.271 1
1 792 . 8 1 1 A 91 91 LYS N N 91 125.900 121.576 4.324 1
1 793 . 8 1 1 A 92 92 LEU H H 92 8.270 8.318 -0.048 1
1 794 . 8 1 1 A 92 92 LEU HA H 92 4.280 3.966 0.314 1
1 804 . 8 1 1 A 92 92 LEU CA C 92 54.600 56.738 -2.138 1
1 805 . 8 1 1 A 92 92 LEU CB C 92 42.100 42.125 -0.025 1
1 809 . 8 1 1 A 92 92 LEU N N 92 123.200 120.835 2.365 1
1 810 . 8 1 1 A 93 93 GLU H H 93 8.310 7.750 0.560 1
1 811 . 8 1 1 A 93 93 GLU HA H 93 4.220 4.289 -0.069 1
1 816 . 8 1 1 A 93 93 GLU CA C 93 55.700 55.743 -0.043 1
1 817 . 8 1 1 A 93 93 GLU CB C 93 30.200 29.998 0.202 1
1 819 . 8 1 1 A 93 93 GLU N N 93 122.000 120.612 1.388 1
1 820 . 8 1 1 A 94 94 HIS H H 94 8.570 8.559 0.011 1
1 821 . 8 1 1 A 94 94 HIS HA H 94 4.630 4.590 0.040 1
1 826 . 8 1 1 A 94 94 HIS CA C 94 55.000 56.799 -1.799 1
1 827 . 8 1 1 A 94 94 HIS CB C 94 28.900 31.532 -2.632 1
1 830 . 8 1 1 A 94 94 HIS N N 94 119.700 125.167 -5.467 1
1 831 . 8 1 1 A 95 95 HIS H H 95 8.610 8.136 0.474 1
1 832 . 8 1 1 A 95 95 HIS HA H 95 4.650 4.160 0.490 1
1 837 . 8 1 1 A 95 95 HIS CA C 95 55.200 56.759 -1.559 1
1 838 . 8 1 1 A 95 95 HIS CB C 95 28.900 28.102 0.798 1
1 841 . 8 1 1 A 95 95 HIS N N 95 119.300 117.716 1.584 1
1 842 . 8 1 1 A 96 96 HIS H H 96 8.680 8.400 0.280 1
1 843 . 8 1 1 A 96 96 HIS HA H 96 4.660 4.588 0.072 1
1 848 . 8 1 1 A 96 96 HIS CA C 96 55.200 55.981 -0.781 1
1 849 . 8 1 1 A 96 96 HIS CB C 96 29.100 29.870 -0.770 1
1 852 . 8 1 1 A 96 96 HIS N N 96 120.100 124.890 -4.790 1
1 853 . 8 1 1 A 97 97 HIS H H 97 8.580 8.760 -0.180 1
1 854 . 8 1 1 A 97 97 HIS HA H 97 4.660 4.689 -0.029 1
1 859 . 8 1 1 A 97 97 HIS CA C 97 55.400 55.292 0.108 1
1 860 . 8 1 1 A 97 97 HIS CB C 97 29.200 30.354 -1.154 1
1 863 . 8 1 1 A 97 97 HIS N N 97 120.400 128.098 -7.698 1
1 864 . 8 1 1 A 98 98 HIS H H 98 8.390 8.684 -0.294 1
1 865 . 8 1 1 A 98 98 HIS HA H 98 4.620 5.680 -1.060 1
1 870 . 8 1 1 A 98 98 HIS CA C 98 55.500 53.189 2.311 1
1 871 . 8 1 1 A 98 98 HIS CB C 98 29.100 33.295 -4.195 1
1 1 . 9 1 1 A 22 22 ALA HA H 22 4.130 5.077 -0.947 1
1 5 . 9 1 1 A 22 22 ALA CA C 22 50.900 52.244 -1.344 1
1 6 . 9 1 1 A 22 22 ALA CB C 22 20.200 18.726 1.474 1
1 7 . 9 1 1 A 23 23 GLU H H 23 7.920 9.404 -1.484 1
1 8 . 9 1 1 A 23 23 GLU HA H 23 4.710 4.784 -0.074 1
1 13 . 9 1 1 A 23 23 GLU CA C 23 54.300 55.913 -1.613 1
1 14 . 9 1 1 A 23 23 GLU CB C 23 32.500 31.092 1.408 1
1 16 . 9 1 1 A 23 23 GLU N N 23 117.600 125.027 -7.427 1
1 17 . 9 1 1 A 24 24 ILE H H 24 8.870 8.337 0.533 1
1 18 . 9 1 1 A 24 24 ILE HA H 24 4.870 4.669 0.201 1
1 28 . 9 1 1 A 24 24 ILE CA C 24 60.200 59.969 0.231 1
1 29 . 9 1 1 A 24 24 ILE CB C 24 38.100 39.787 -1.687 1
1 33 . 9 1 1 A 24 24 ILE N N 24 123.800 125.102 -1.302 1
1 34 . 9 1 1 A 25 25 MET H H 25 8.720 8.666 0.054 1
1 35 . 9 1 1 A 25 25 MET HA H 25 4.760 4.989 -0.229 1
1 40 . 9 1 1 A 25 25 MET CA C 25 54.300 54.230 0.070 1
1 41 . 9 1 1 A 25 25 MET CB C 25 37.100 36.667 0.433 1
1 43 . 9 1 1 A 25 25 MET N N 25 127.100 123.066 4.034 1
1 44 . 9 1 1 A 26 26 LYS H H 26 9.190 8.722 0.468 1
1 45 . 9 1 1 A 26 26 LYS HA H 26 4.320 4.394 -0.074 1
1 54 . 9 1 1 A 26 26 LYS CA C 26 56.600 55.639 0.961 1
1 55 . 9 1 1 A 26 26 LYS CB C 26 32.900 33.221 -0.321 1
1 59 . 9 1 1 A 26 26 LYS N N 26 123.500 121.405 2.095 1
1 60 . 9 1 1 A 27 27 LYS H H 27 8.870 9.032 -0.162 1
1 61 . 9 1 1 A 27 27 LYS HA H 27 3.860 4.007 -0.147 1
1 70 . 9 1 1 A 27 27 LYS CA C 27 60.500 59.615 0.885 1
1 71 . 9 1 1 A 27 27 LYS CB C 27 32.400 32.145 0.255 1
1 75 . 9 1 1 A 27 27 LYS N N 27 126.200 124.245 1.955 1
1 76 . 9 1 1 A 28 28 THR H H 28 8.110 8.153 -0.043 1
1 77 . 9 1 1 A 28 28 THR HA H 28 4.130 4.006 0.124 1
1 82 . 9 1 1 A 28 28 THR CA C 28 64.600 65.723 -1.123 1
1 83 . 9 1 1 A 28 28 THR CB C 28 68.000 68.433 -0.433 1
1 85 . 9 1 1 A 28 28 THR N N 28 107.100 114.340 -7.240 1
1 86 . 9 1 1 A 29 29 ASP H H 29 6.770 8.289 -1.519 1
1 87 . 9 1 1 A 29 29 ASP HA H 29 4.580 4.432 0.148 1
1 90 . 9 1 1 A 29 29 ASP CA C 29 56.600 57.318 -0.718 1
1 91 . 9 1 1 A 29 29 ASP CB C 29 40.600 40.274 0.326 1
1 92 . 9 1 1 A 29 29 ASP N N 29 119.500 122.739 -3.239 1
1 93 . 9 1 1 A 30 30 PHE H H 30 8.630 8.916 -0.286 1
1 94 . 9 1 1 A 30 30 PHE HA H 30 3.930 3.926 0.004 1
1 102 . 9 1 1 A 30 30 PHE CA C 30 60.800 61.330 -0.530 1
1 103 . 9 1 1 A 30 30 PHE CB C 30 38.900 39.097 -0.197 1
1 107 . 9 1 1 A 30 30 PHE N N 30 123.300 122.190 1.110 1
1 108 . 9 1 1 A 31 31 ASP H H 31 8.650 8.420 0.230 1
1 109 . 9 1 1 A 31 31 ASP HA H 31 4.150 3.950 0.200 1
1 112 . 9 1 1 A 31 31 ASP CA C 31 57.000 56.844 0.156 1
1 113 . 9 1 1 A 31 31 ASP CB C 31 39.800 39.997 -0.197 1
1 114 . 9 1 1 A 31 31 ASP N N 31 117.000 119.175 -2.175 1
1 115 . 9 1 1 A 32 32 LYS H H 32 6.930 7.565 -0.635 1
1 116 . 9 1 1 A 32 32 LYS HA H 32 4.110 4.115 -0.005 1
1 125 . 9 1 1 A 32 32 LYS CA C 32 58.300 59.266 -0.966 1
1 126 . 9 1 1 A 32 32 LYS CB C 32 33.100 32.830 0.270 1
1 130 . 9 1 1 A 32 32 LYS N N 32 114.800 121.067 -6.267 1
1 131 . 9 1 1 A 33 33 VAL H H 33 7.400 8.198 -0.798 1
1 132 . 9 1 1 A 33 33 VAL HA H 33 4.620 4.096 0.524 1
1 140 . 9 1 1 A 33 33 VAL CA C 33 60.100 63.481 -3.381 1
1 141 . 9 1 1 A 33 33 VAL CB C 33 32.300 31.338 0.962 1
1 144 . 9 1 1 A 33 33 VAL N N 33 109.100 114.540 -5.440 1
1 145 . 9 1 1 A 34 34 ALA H H 34 6.710 7.603 -0.893 1
1 146 . 9 1 1 A 34 34 ALA HA H 34 3.010 3.982 -0.972 1
1 150 . 9 1 1 A 34 34 ALA CA C 34 55.100 54.207 0.893 1
1 151 . 9 1 1 A 34 34 ALA CB C 34 19.200 18.057 1.143 1
1 152 . 9 1 1 A 34 34 ALA N N 34 124.300 125.320 -1.020 1
1 153 . 9 1 1 A 35 35 SER H H 35 8.120 7.487 0.633 1
1 154 . 9 1 1 A 35 35 SER HA H 35 4.320 4.275 0.045 1
1 157 . 9 1 1 A 35 35 SER CA C 35 60.400 60.032 0.368 1
1 158 . 9 1 1 A 35 35 SER CB C 35 62.400 63.227 -0.827 1
1 159 . 9 1 1 A 35 35 SER N N 35 110.400 111.962 -1.562 1
1 160 . 9 1 1 A 36 36 GLU H H 36 8.300 7.857 0.443 1
1 161 . 9 1 1 A 36 36 GLU HA H 36 4.270 4.513 -0.243 1
1 166 . 9 1 1 A 36 36 GLU CA C 36 55.700 56.118 -0.418 1
1 167 . 9 1 1 A 36 36 GLU CB C 36 28.900 31.299 -2.399 1
1 169 . 9 1 1 A 36 36 GLU N N 36 119.200 117.814 1.386 1
1 170 . 9 1 1 A 37 37 TYR H H 37 7.920 7.699 0.221 1
1 171 . 9 1 1 A 37 37 TYR HA H 37 5.150 5.167 -0.017 1
1 178 . 9 1 1 A 37 37 TYR CA C 37 57.900 56.327 1.573 1
1 179 . 9 1 1 A 37 37 TYR CB C 37 44.100 43.435 0.665 1
1 182 . 9 1 1 A 37 37 TYR N N 37 117.200 118.983 -1.783 1
1 183 . 9 1 1 A 38 38 THR H H 38 9.480 9.466 0.014 1
1 184 . 9 1 1 A 38 38 THR HA H 38 4.840 5.032 -0.192 1
1 189 . 9 1 1 A 38 38 THR CA C 38 60.400 61.333 -0.933 1
1 190 . 9 1 1 A 38 38 THR CB C 38 71.200 72.190 -0.990 1
1 192 . 9 1 1 A 38 38 THR N N 38 115.400 116.240 -0.840 1
1 193 . 9 1 1 A 39 39 LYS H H 39 9.290 8.755 0.535 1
1 194 . 9 1 1 A 39 39 LYS HA H 39 3.880 3.615 0.265 1
1 203 . 9 1 1 A 39 39 LYS CA C 39 57.500 57.074 0.426 1
1 204 . 9 1 1 A 39 39 LYS CB C 39 32.300 32.572 -0.272 1
1 208 . 9 1 1 A 39 39 LYS N N 39 130.400 129.156 1.244 1
1 209 . 9 1 1 A 40 40 ILE H H 40 8.820 8.326 0.494 1
1 210 . 9 1 1 A 40 40 ILE HA H 40 4.550 4.606 -0.056 1
1 220 . 9 1 1 A 40 40 ILE CA C 40 60.900 60.536 0.364 1
1 221 . 9 1 1 A 40 40 ILE CB C 40 39.200 39.220 -0.020 1
1 225 . 9 1 1 A 40 40 ILE N N 40 121.900 122.122 -0.222 1
1 226 . 9 1 1 A 41 41 GLY H H 41 7.130 7.072 0.058 1
1 227 . 9 1 1 A 41 41 GLY HA2 H 41 3.950 3.988 -0.038 1
1 228 . 9 1 1 A 41 41 GLY HA3 H 41 4.260 4.003 0.257 1
1 229 . 9 1 1 A 41 41 GLY CA C 41 45.100 44.243 0.857 1
1 230 . 9 1 1 A 41 41 GLY N N 41 107.400 109.371 -1.971 1
1 231 . 9 1 1 A 42 42 THR H H 42 8.210 8.224 -0.014 1
1 232 . 9 1 1 A 42 42 THR HA H 42 5.230 5.011 0.219 1
1 237 . 9 1 1 A 42 42 THR CA C 42 60.900 61.473 -0.573 1
1 238 . 9 1 1 A 42 42 THR CB C 42 72.300 71.103 1.197 1
1 240 . 9 1 1 A 42 42 THR N N 42 115.100 115.430 -0.330 1
1 241 . 9 1 1 A 43 43 ILE H H 43 9.130 9.349 -0.219 1
1 242 . 9 1 1 A 43 43 ILE HA H 43 4.790 5.231 -0.441 1
1 252 . 9 1 1 A 43 43 ILE CA C 43 59.400 58.948 0.452 1
1 253 . 9 1 1 A 43 43 ILE CB C 43 42.600 42.324 0.276 1
1 257 . 9 1 1 A 43 43 ILE N N 43 118.000 119.822 -1.822 1
1 258 . 9 1 1 A 44 44 SER H H 44 8.330 8.586 -0.256 1
1 259 . 9 1 1 A 44 44 SER HA H 44 5.250 5.271 -0.021 1
1 262 . 9 1 1 A 44 44 SER CA C 44 56.700 57.307 -0.607 1
1 263 . 9 1 1 A 44 44 SER CB C 44 66.000 66.162 -0.162 1
1 264 . 9 1 1 A 44 44 SER N N 44 113.300 116.293 -2.993 1
1 265 . 9 1 1 A 45 45 THR H H 45 8.380 8.937 -0.557 1
1 266 . 9 1 1 A 45 45 THR HA H 45 4.550 5.392 -0.842 1
1 271 . 9 1 1 A 45 45 THR CA C 45 60.900 60.081 0.819 1
1 272 . 9 1 1 A 45 45 THR CB C 45 70.000 70.589 -0.589 1
1 274 . 9 1 1 A 45 45 THR N N 45 113.300 112.632 0.668 1
1 275 . 9 1 1 A 46 46 THR H H 46 8.540 8.661 -0.121 1
1 276 . 9 1 1 A 46 46 THR HA H 46 4.400 5.074 -0.674 1
1 281 . 9 1 1 A 46 46 THR CA C 46 62.000 61.275 0.725 1
1 282 . 9 1 1 A 46 46 THR CB C 46 69.300 71.624 -2.324 1
1 284 . 9 1 1 A 46 46 THR N N 46 117.700 117.616 0.084 1
1 285 . 9 1 1 A 47 47 GLY H H 47 8.320 7.858 0.462 1
1 286 . 9 1 1 A 47 47 GLY HA2 H 47 3.890 4.231 -0.341 1
1 287 . 9 1 1 A 47 47 GLY HA3 H 47 3.980 4.233 -0.253 1
1 288 . 9 1 1 A 47 47 GLY CA C 47 44.800 45.886 -1.086 1
1 289 . 9 1 1 A 47 47 GLY N N 47 111.700 111.564 0.136 1
1 290 . 9 1 1 A 48 48 GLU H H 48 8.430 8.511 -0.081 1
1 291 . 9 1 1 A 48 48 GLU HA H 48 4.390 5.047 -0.657 1
1 296 . 9 1 1 A 48 48 GLU CA C 48 55.600 55.288 0.312 1
1 297 . 9 1 1 A 48 48 GLU CB C 48 29.400 31.486 -2.086 1
1 299 . 9 1 1 A 48 48 GLU N N 48 120.100 123.218 -3.118 1
1 300 . 9 1 1 A 49 49 MET H H 49 8.390 8.514 -0.124 1
1 301 . 9 1 1 A 49 49 MET HA H 49 4.700 4.960 -0.260 1
1 306 . 9 1 1 A 49 49 MET CA C 49 55.000 54.141 0.859 1
1 307 . 9 1 1 A 49 49 MET CB C 49 35.900 37.814 -1.914 1
1 309 . 9 1 1 A 49 49 MET N N 49 120.000 124.110 -4.110 1
1 310 . 9 1 1 A 50 50 SER H H 50 9.020 8.460 0.560 1
1 311 . 9 1 1 A 50 50 SER HA H 50 4.780 5.025 -0.245 1
1 314 . 9 1 1 A 50 50 SER CA C 50 57.700 55.906 1.794 1
1 315 . 9 1 1 A 50 50 SER CB C 50 62.600 64.005 -1.405 1
1 316 . 9 1 1 A 50 50 SER N N 50 117.900 113.264 4.636 1
1 317 . 9 1 1 A 51 51 PRO HA H 51 4.240 4.292 -0.052 1
1 324 . 9 1 1 A 51 51 PRO CA C 51 66.000 65.872 0.128 1
1 325 . 9 1 1 A 51 51 PRO CB C 51 31.800 31.714 0.086 1
1 328 . 9 1 1 A 52 52 LEU H H 52 8.160 7.607 0.553 1
1 329 . 9 1 1 A 52 52 LEU HA H 52 4.110 3.961 0.149 1
1 339 . 9 1 1 A 52 52 LEU CA C 52 57.900 57.441 0.459 1
1 340 . 9 1 1 A 52 52 LEU CB C 52 41.400 40.981 0.419 1
1 344 . 9 1 1 A 52 52 LEU N N 52 117.600 116.726 0.874 1
1 345 . 9 1 1 A 53 53 ASP H H 53 7.510 8.224 -0.714 1
1 346 . 9 1 1 A 53 53 ASP HA H 53 4.420 4.458 -0.038 1
1 349 . 9 1 1 A 53 53 ASP CA C 53 56.600 56.956 -0.356 1
1 350 . 9 1 1 A 53 53 ASP CB C 53 39.800 40.349 -0.549 1
1 351 . 9 1 1 A 53 53 ASP N N 53 119.900 120.230 -0.330 1
1 352 . 9 1 1 A 54 54 ALA H H 54 8.800 8.541 0.259 1
1 353 . 9 1 1 A 54 54 ALA HA H 54 4.210 4.014 0.196 1
1 357 . 9 1 1 A 54 54 ALA CA C 54 54.700 55.188 -0.488 1
1 358 . 9 1 1 A 54 54 ALA CB C 54 18.200 18.018 0.182 1
1 359 . 9 1 1 A 54 54 ALA N N 54 123.400 122.711 0.689 1
1 360 . 9 1 1 A 55 55 ARG H H 55 7.860 8.319 -0.459 1
1 361 . 9 1 1 A 55 55 ARG HA H 55 3.730 3.963 -0.233 1
1 368 . 9 1 1 A 55 55 ARG CA C 55 60.200 59.817 0.383 1
1 369 . 9 1 1 A 55 55 ARG CB C 55 30.100 30.230 -0.130 1
1 372 . 9 1 1 A 55 55 ARG N N 55 117.100 117.548 -0.448 1
1 373 . 9 1 1 A 56 56 GLU H H 56 7.630 8.413 -0.783 1
1 374 . 9 1 1 A 56 56 GLU HA H 56 4.000 4.037 -0.037 1
1 379 . 9 1 1 A 56 56 GLU CA C 56 58.800 59.622 -0.822 1
1 380 . 9 1 1 A 56 56 GLU CB C 56 28.300 29.100 -0.800 1
1 382 . 9 1 1 A 56 56 GLU N N 56 115.900 119.692 -3.792 1
1 383 . 9 1 1 A 57 57 ASP H H 57 8.120 8.234 -0.114 1
1 384 . 9 1 1 A 57 57 ASP HA H 57 4.380 4.404 -0.024 1
1 387 . 9 1 1 A 57 57 ASP CA C 57 57.400 56.961 0.439 1
1 388 . 9 1 1 A 57 57 ASP CB C 57 42.500 40.999 1.501 1
1 389 . 9 1 1 A 57 57 ASP N N 57 120.200 120.529 -0.329 1
1 390 . 9 1 1 A 58 58 LEU H H 58 8.160 8.324 -0.164 1
1 391 . 9 1 1 A 58 58 LEU HA H 58 3.860 4.033 -0.173 1
1 401 . 9 1 1 A 58 58 LEU CA C 58 57.500 58.074 -0.574 1
1 402 . 9 1 1 A 58 58 LEU CB C 58 41.400 42.056 -0.656 1
1 406 . 9 1 1 A 58 58 LEU N N 58 117.300 119.465 -2.165 1
1 407 . 9 1 1 A 59 59 ILE H H 59 8.020 8.518 -0.498 1
1 408 . 9 1 1 A 59 59 ILE HA H 59 3.300 3.512 -0.212 1
1 418 . 9 1 1 A 59 59 ILE CA C 59 65.700 65.443 0.257 1
1 419 . 9 1 1 A 59 59 ILE CB C 59 37.500 37.265 0.235 1
1 423 . 9 1 1 A 59 59 ILE N N 59 118.600 119.453 -0.853 1
1 424 . 9 1 1 A 60 60 LYS H H 60 7.890 8.145 -0.255 1
1 425 . 9 1 1 A 60 60 LYS HA H 60 4.090 3.950 0.140 1
1 434 . 9 1 1 A 60 60 LYS CA C 60 59.800 59.302 0.498 1
1 435 . 9 1 1 A 60 60 LYS CB C 60 31.900 32.040 -0.140 1
1 439 . 9 1 1 A 60 60 LYS N N 60 119.400 121.227 -1.827 1
1 440 . 9 1 1 A 61 61 LYS H H 61 8.080 8.299 -0.219 1
1 441 . 9 1 1 A 61 61 LYS HA H 61 3.980 4.257 -0.277 1
1 450 . 9 1 1 A 61 61 LYS CA C 61 59.200 58.933 0.267 1
1 451 . 9 1 1 A 61 61 LYS CB C 61 33.500 32.322 1.178 1
1 455 . 9 1 1 A 61 61 LYS N N 61 119.200 119.560 -0.360 1
1 456 . 9 1 1 A 62 62 ALA H H 62 8.490 8.590 -0.100 1
1 457 . 9 1 1 A 62 62 ALA HA H 62 3.770 4.070 -0.300 1
1 461 . 9 1 1 A 62 62 ALA CA C 62 54.900 55.293 -0.393 1
1 462 . 9 1 1 A 62 62 ALA CB C 62 19.100 18.353 0.747 1
1 463 . 9 1 1 A 62 62 ALA N N 62 122.200 122.204 -0.004 1
1 464 . 9 1 1 A 63 63 ASP H H 63 8.850 8.108 0.742 1
1 465 . 9 1 1 A 63 63 ASP HA H 63 4.590 4.348 0.242 1
1 468 . 9 1 1 A 63 63 ASP CA C 63 56.900 57.400 -0.500 1
1 469 . 9 1 1 A 63 63 ASP CB C 63 39.000 41.288 -2.288 1
1 470 . 9 1 1 A 63 63 ASP N N 63 120.200 118.099 2.101 1
1 471 . 9 1 1 A 64 64 GLU H H 64 8.050 8.372 -0.322 1
1 472 . 9 1 1 A 64 64 GLU HA H 64 4.070 4.099 -0.029 1
1 477 . 9 1 1 A 64 64 GLU CA C 64 58.800 59.292 -0.492 1
1 478 . 9 1 1 A 64 64 GLU CB C 64 29.000 29.532 -0.532 1
1 480 . 9 1 1 A 64 64 GLU N N 64 121.300 119.133 2.167 1
1 481 . 9 1 1 A 65 65 LYS H H 65 7.180 8.263 -1.083 1
1 482 . 9 1 1 A 65 65 LYS HA H 65 4.310 4.366 -0.056 1
1 491 . 9 1 1 A 65 65 LYS CA C 65 54.800 57.139 -2.339 1
1 492 . 9 1 1 A 65 65 LYS CB C 65 33.000 33.326 -0.326 1
1 496 . 9 1 1 A 65 65 LYS N N 65 115.600 118.187 -2.587 1
1 497 . 9 1 1 A 66 66 GLY H H 66 7.870 7.837 0.033 1
1 498 . 9 1 1 A 66 66 GLY HA2 H 66 3.860 4.137 -0.277 1
1 499 . 9 1 1 A 66 66 GLY HA3 H 66 3.980 4.280 -0.300 1
1 500 . 9 1 1 A 66 66 GLY CA C 66 45.700 45.524 0.176 1
1 501 . 9 1 1 A 66 66 GLY N N 66 107.500 107.662 -0.162 1
1 502 . 9 1 1 A 67 67 ALA H H 67 7.920 8.045 -0.125 1
1 503 . 9 1 1 A 67 67 ALA HA H 67 4.020 4.618 -0.598 1
1 507 . 9 1 1 A 67 67 ALA CA C 67 51.700 51.354 0.346 1
1 508 . 9 1 1 A 67 67 ALA CB C 67 21.100 20.273 0.827 1
1 509 . 9 1 1 A 67 67 ALA N N 67 118.900 122.741 -3.841 1
1 510 . 9 1 1 A 68 68 ASP H H 68 8.790 9.504 -0.714 1
1 511 . 9 1 1 A 68 68 ASP HA H 68 5.070 4.626 0.444 1
1 514 . 9 1 1 A 68 68 ASP CA C 68 56.500 55.262 1.238 1
1 515 . 9 1 1 A 68 68 ASP CB C 68 44.900 43.201 1.699 1
1 516 . 9 1 1 A 68 68 ASP N N 68 116.500 121.046 -4.546 1
1 517 . 9 1 1 A 69 69 VAL H H 69 8.070 7.927 0.143 1
1 518 . 9 1 1 A 69 69 VAL HA H 69 5.130 4.926 0.204 1
1 526 . 9 1 1 A 69 69 VAL CA C 69 60.300 60.589 -0.289 1
1 527 . 9 1 1 A 69 69 VAL CB C 69 37.400 35.338 2.062 1
1 530 . 9 1 1 A 69 69 VAL N N 69 118.400 116.980 1.420 1
1 531 . 9 1 1 A 70 70 VAL H H 70 8.720 9.191 -0.471 1
1 532 . 9 1 1 A 70 70 VAL HA H 70 4.550 4.971 -0.421 1
1 540 . 9 1 1 A 70 70 VAL CA C 70 59.800 59.364 0.436 1
1 541 . 9 1 1 A 70 70 VAL CB C 70 34.200 34.721 -0.521 1
1 544 . 9 1 1 A 70 70 VAL N N 70 127.300 121.701 5.599 1
1 545 . 9 1 1 A 71 71 VAL H H 71 8.890 9.104 -0.214 1
1 546 . 9 1 1 A 71 71 VAL HA H 71 4.550 4.433 0.117 1
1 554 . 9 1 1 A 71 71 VAL CA C 71 60.800 61.269 -0.469 1
1 555 . 9 1 1 A 71 71 VAL CB C 71 34.000 32.661 1.339 1
1 558 . 9 1 1 A 71 71 VAL N N 71 126.700 123.010 3.690 1
1 559 . 9 1 1 A 72 72 LEU H H 72 8.800 8.757 0.043 1
1 560 . 9 1 1 A 72 72 LEU HA H 72 4.440 4.344 0.096 1
1 570 . 9 1 1 A 72 72 LEU CA C 72 55.700 54.353 1.347 1
1 571 . 9 1 1 A 72 72 LEU CB C 72 41.500 40.349 1.151 1
1 575 . 9 1 1 A 72 72 LEU N N 72 127.400 129.160 -1.760 1
1 576 . 9 1 1 A 73 73 THR H H 73 8.630 7.899 0.731 1
1 577 . 9 1 1 A 73 73 THR HA H 73 4.430 4.189 0.241 1
1 582 . 9 1 1 A 73 73 THR CA C 73 61.500 63.096 -1.596 1
1 583 . 9 1 1 A 73 73 THR CB C 73 69.400 68.922 0.478 1
1 585 . 9 1 1 A 73 73 THR N N 73 114.000 115.746 -1.746 1
1 586 . 9 1 1 A 74 74 SER H H 74 8.130 7.472 0.658 1
1 587 . 9 1 1 A 74 74 SER HA H 74 4.540 4.296 0.244 1
1 590 . 9 1 1 A 74 74 SER CA C 74 58.000 58.705 -0.705 1
1 591 . 9 1 1 A 74 74 SER CB C 74 63.800 63.633 0.167 1
1 592 . 9 1 1 A 74 74 SER N N 74 116.000 119.185 -3.185 1
1 593 . 9 1 1 A 75 75 GLY H H 75 8.570 8.604 -0.034 1
1 594 . 9 1 1 A 75 75 GLY HA2 H 75 4.040 3.854 0.186 1
1 595 . 9 1 1 A 75 75 GLY HA3 H 75 4.040 3.861 0.179 1
1 596 . 9 1 1 A 75 75 GLY CA C 75 45.100 46.860 -1.760 1
1 597 . 9 1 1 A 75 75 GLY N N 75 109.800 109.996 -0.196 1
1 598 . 9 1 1 A 76 76 GLN H H 76 8.390 8.055 0.335 1
1 599 . 9 1 1 A 76 76 GLN HA H 76 4.490 4.598 -0.108 1
1 606 . 9 1 1 A 76 76 GLN CA C 76 55.900 57.220 -1.320 1
1 607 . 9 1 1 A 76 76 GLN CB C 76 29.600 30.631 -1.031 1
1 609 . 9 1 1 A 76 76 GLN N N 76 119.200 119.160 0.040 1
1 611 . 9 1 1 A 77 77 THR H H 77 8.100 8.061 0.039 1
1 612 . 9 1 1 A 77 77 THR HA H 77 4.420 4.031 0.389 1
1 617 . 9 1 1 A 77 77 THR CA C 77 61.300 62.233 -0.933 1
1 618 . 9 1 1 A 77 77 THR CB C 77 69.700 67.275 2.425 1
1 620 . 9 1 1 A 77 77 THR N N 77 113.000 112.624 0.376 1
1 621 . 9 1 1 A 78 78 GLU H H 78 8.450 8.253 0.197 1
1 622 . 9 1 1 A 78 78 GLU HA H 78 4.250 4.387 -0.137 1
1 627 . 9 1 1 A 78 78 GLU CA C 78 56.900 58.209 -1.309 1
1 628 . 9 1 1 A 78 78 GLU CB C 78 29.500 29.632 -0.132 1
1 630 . 9 1 1 A 78 78 GLU N N 78 120.700 121.962 -1.262 1
1 631 . 9 1 1 A 79 79 ASN H H 79 8.320 8.014 0.306 1
1 632 . 9 1 1 A 79 79 ASN HA H 79 4.600 4.399 0.201 1
1 637 . 9 1 1 A 79 79 ASN CA C 79 53.700 56.181 -2.481 1
1 638 . 9 1 1 A 79 79 ASN CB C 79 38.600 38.874 -0.274 1
1 639 . 9 1 1 A 79 79 ASN N N 79 117.000 118.473 -1.473 1
1 641 . 9 1 1 A 80 80 LYS H H 80 7.910 7.494 0.416 1
1 642 . 9 1 1 A 80 80 LYS HA H 80 4.300 4.435 -0.135 1
1 651 . 9 1 1 A 80 80 LYS CA C 80 56.000 55.229 0.771 1
1 652 . 9 1 1 A 80 80 LYS CB C 80 33.300 33.154 0.146 1
1 656 . 9 1 1 A 80 80 LYS N N 80 118.800 113.908 4.892 1
1 657 . 9 1 1 A 81 81 ILE H H 81 8.340 8.112 0.228 1
1 658 . 9 1 1 A 81 81 ILE HA H 81 4.300 4.645 -0.345 1
1 668 . 9 1 1 A 81 81 ILE CA C 81 60.500 63.044 -2.544 1
1 669 . 9 1 1 A 81 81 ILE CB C 81 39.800 37.005 2.795 1
1 673 . 9 1 1 A 81 81 ILE N N 81 119.600 116.222 3.378 1
1 674 . 9 1 1 A 82 82 HIS H H 82 8.470 8.564 -0.094 1
1 675 . 9 1 1 A 82 82 HIS HA H 82 4.780 5.240 -0.460 1
1 680 . 9 1 1 A 82 82 HIS CA C 82 54.700 54.973 -0.273 1
1 681 . 9 1 1 A 82 82 HIS CB C 82 28.900 30.979 -2.079 1
1 684 . 9 1 1 A 82 82 HIS N N 82 121.600 125.301 -3.701 1
1 685 . 9 1 1 A 83 83 GLY H H 83 8.340 8.122 0.218 1
1 686 . 9 1 1 A 83 83 GLY HA2 H 83 3.690 3.824 -0.134 1
1 687 . 9 1 1 A 83 83 GLY HA3 H 83 4.190 3.851 0.339 1
1 688 . 9 1 1 A 83 83 GLY CA C 83 45.000 45.727 -0.727 1
1 689 . 9 1 1 A 83 83 GLY N N 83 111.600 108.773 2.827 1
1 690 . 9 1 1 A 84 84 THR H H 84 8.120 8.650 -0.530 1
1 691 . 9 1 1 A 84 84 THR HA H 84 5.030 5.278 -0.248 1
1 696 . 9 1 1 A 84 84 THR CA C 84 60.100 60.851 -0.751 1
1 697 . 9 1 1 A 84 84 THR CB C 84 72.000 72.006 -0.006 1
1 699 . 9 1 1 A 84 84 THR N N 84 112.300 118.507 -6.207 1
1 700 . 9 1 1 A 85 85 ALA H H 85 8.840 9.228 -0.388 1
1 701 . 9 1 1 A 85 85 ALA HA H 85 4.950 5.182 -0.232 1
1 705 . 9 1 1 A 85 85 ALA CA C 85 51.200 50.847 0.353 1
1 706 . 9 1 1 A 85 85 ALA CB C 85 23.800 22.700 1.100 1
1 707 . 9 1 1 A 85 85 ALA N N 85 122.500 125.824 -3.324 1
1 708 . 9 1 1 A 86 86 ASP H H 86 8.510 9.040 -0.530 1
1 709 . 9 1 1 A 86 86 ASP HA H 86 5.200 5.326 -0.126 1
1 712 . 9 1 1 A 86 86 ASP CA C 86 53.400 52.817 0.583 1
1 713 . 9 1 1 A 86 86 ASP CB C 86 43.100 44.212 -1.112 1
1 714 . 9 1 1 A 86 86 ASP N N 86 121.400 123.159 -1.759 1
1 715 . 9 1 1 A 87 87 ILE H H 87 7.970 8.718 -0.748 1
1 716 . 9 1 1 A 87 87 ILE HA H 87 5.370 5.297 0.073 1
1 726 . 9 1 1 A 87 87 ILE CA C 87 58.200 59.331 -1.131 1
1 727 . 9 1 1 A 87 87 ILE CB C 87 41.200 40.928 0.272 1
1 731 . 9 1 1 A 87 87 ILE N N 87 111.200 120.296 -9.096 1
1 732 . 9 1 1 A 88 88 TYR H H 88 8.750 9.532 -0.782 1
1 733 . 9 1 1 A 88 88 TYR HA H 88 5.440 5.332 0.108 1
1 740 . 9 1 1 A 88 88 TYR CA C 88 56.900 56.288 0.612 1
1 741 . 9 1 1 A 88 88 TYR CB C 88 44.000 43.451 0.549 1
1 744 . 9 1 1 A 88 88 TYR N N 88 118.000 121.411 -3.411 1
1 745 . 9 1 1 A 89 89 LYS H H 89 9.590 9.452 0.138 1
1 746 . 9 1 1 A 89 89 LYS HA H 89 5.170 5.133 0.037 1
1 755 . 9 1 1 A 89 89 LYS CA C 89 54.400 54.891 -0.491 1
1 756 . 9 1 1 A 89 89 LYS CB C 89 36.800 35.153 1.647 1
1 760 . 9 1 1 A 89 89 LYS N N 89 123.500 119.684 3.816 1
1 761 . 9 1 1 A 90 90 LYS H H 90 10.190 8.273 1.917 1
1 762 . 9 1 1 A 90 90 LYS HA H 90 3.810 3.167 0.643 1
1 771 . 9 1 1 A 90 90 LYS CA C 90 57.500 55.772 1.728 1
1 772 . 9 1 1 A 90 90 LYS CB C 90 32.700 32.450 0.250 1
1 776 . 9 1 1 A 90 90 LYS N N 90 129.200 120.554 8.646 1
1 777 . 9 1 1 A 91 91 LYS H H 91 8.450 8.235 0.215 1
1 778 . 9 1 1 A 91 91 LYS HA H 91 4.100 4.505 -0.405 1
1 787 . 9 1 1 A 91 91 LYS CA C 91 57.300 54.886 2.414 1
1 788 . 9 1 1 A 91 91 LYS CB C 91 33.100 34.345 -1.245 1
1 792 . 9 1 1 A 91 91 LYS N N 91 125.900 121.752 4.148 1
1 793 . 9 1 1 A 92 92 LEU H H 92 8.270 8.442 -0.172 1
1 794 . 9 1 1 A 92 92 LEU HA H 92 4.280 4.529 -0.249 1
1 804 . 9 1 1 A 92 92 LEU CA C 92 54.600 54.551 0.049 1
1 805 . 9 1 1 A 92 92 LEU CB C 92 42.100 42.093 0.007 1
1 809 . 9 1 1 A 92 92 LEU N N 92 123.200 119.773 3.427 1
1 810 . 9 1 1 A 93 93 GLU H H 93 8.310 7.844 0.466 1
1 811 . 9 1 1 A 93 93 GLU HA H 93 4.220 4.653 -0.433 1
1 816 . 9 1 1 A 93 93 GLU CA C 93 55.700 56.068 -0.368 1
1 817 . 9 1 1 A 93 93 GLU CB C 93 30.200 30.653 -0.453 1
1 819 . 9 1 1 A 93 93 GLU N N 93 122.000 118.983 3.017 1
1 820 . 9 1 1 A 94 94 HIS H H 94 8.570 8.685 -0.115 1
1 821 . 9 1 1 A 94 94 HIS HA H 94 4.630 4.582 0.048 1
1 826 . 9 1 1 A 94 94 HIS CA C 94 55.000 57.495 -2.495 1
1 827 . 9 1 1 A 94 94 HIS CB C 94 28.900 30.802 -1.902 1
1 830 . 9 1 1 A 94 94 HIS N N 94 119.700 120.494 -0.794 1
1 831 . 9 1 1 A 95 95 HIS H H 95 8.610 8.515 0.095 1
1 832 . 9 1 1 A 95 95 HIS HA H 95 4.650 4.822 -0.172 1
1 837 . 9 1 1 A 95 95 HIS CA C 95 55.200 54.592 0.608 1
1 838 . 9 1 1 A 95 95 HIS CB C 95 28.900 31.864 -2.964 1
1 841 . 9 1 1 A 95 95 HIS N N 95 119.300 117.316 1.984 1
1 842 . 9 1 1 A 96 96 HIS H H 96 8.680 9.108 -0.428 1
1 843 . 9 1 1 A 96 96 HIS HA H 96 4.660 3.997 0.663 1
1 848 . 9 1 1 A 96 96 HIS CA C 96 55.200 58.917 -3.717 1
1 849 . 9 1 1 A 96 96 HIS CB C 96 29.100 29.150 -0.050 1
1 852 . 9 1 1 A 96 96 HIS N N 96 120.100 121.871 -1.771 1
1 853 . 9 1 1 A 97 97 HIS H H 97 8.580 7.936 0.644 1
1 854 . 9 1 1 A 97 97 HIS HA H 97 4.660 4.754 -0.094 1
1 859 . 9 1 1 A 97 97 HIS CA C 97 55.400 55.850 -0.450 1
1 860 . 9 1 1 A 97 97 HIS CB C 97 29.200 32.209 -3.009 1
1 863 . 9 1 1 A 97 97 HIS N N 97 120.400 112.461 7.939 1
1 864 . 9 1 1 A 98 98 HIS H H 98 8.390 7.646 0.744 1
1 865 . 9 1 1 A 98 98 HIS HA H 98 4.620 4.824 -0.204 1
1 870 . 9 1 1 A 98 98 HIS CA C 98 55.500 57.080 -1.580 1
1 871 . 9 1 1 A 98 98 HIS CB C 98 29.100 31.989 -2.889 1
1 1 . 10 1 1 A 22 22 ALA HA H 22 4.130 4.710 -0.580 1
1 5 . 10 1 1 A 22 22 ALA CA C 22 50.900 51.267 -0.367 1
1 6 . 10 1 1 A 22 22 ALA CB C 22 20.200 21.433 -1.233 1
1 7 . 10 1 1 A 23 23 GLU H H 23 7.920 8.347 -0.427 1
1 8 . 10 1 1 A 23 23 GLU HA H 23 4.710 4.672 0.038 1
1 13 . 10 1 1 A 23 23 GLU CA C 23 54.300 55.335 -1.035 1
1 14 . 10 1 1 A 23 23 GLU CB C 23 32.500 34.221 -1.721 1
1 16 . 10 1 1 A 23 23 GLU N N 23 117.600 120.565 -2.965 1
1 17 . 10 1 1 A 24 24 ILE H H 24 8.870 8.336 0.534 1
1 18 . 10 1 1 A 24 24 ILE HA H 24 4.870 4.582 0.288 1
1 28 . 10 1 1 A 24 24 ILE CA C 24 60.200 60.393 -0.193 1
1 29 . 10 1 1 A 24 24 ILE CB C 24 38.100 37.875 0.225 1
1 33 . 10 1 1 A 24 24 ILE N N 24 123.800 125.986 -2.186 1
1 34 . 10 1 1 A 25 25 MET H H 25 8.720 8.828 -0.108 1
1 35 . 10 1 1 A 25 25 MET HA H 25 4.760 5.099 -0.339 1
1 40 . 10 1 1 A 25 25 MET CA C 25 54.300 54.180 0.120 1
1 41 . 10 1 1 A 25 25 MET CB C 25 37.100 36.581 0.519 1
1 43 . 10 1 1 A 25 25 MET N N 25 127.100 124.846 2.254 1
1 44 . 10 1 1 A 26 26 LYS H H 26 9.190 8.566 0.624 1
1 45 . 10 1 1 A 26 26 LYS HA H 26 4.320 4.272 0.048 1
1 54 . 10 1 1 A 26 26 LYS CA C 26 56.600 56.746 -0.146 1
1 55 . 10 1 1 A 26 26 LYS CB C 26 32.900 33.123 -0.223 1
1 59 . 10 1 1 A 26 26 LYS N N 26 123.500 122.281 1.219 1
1 60 . 10 1 1 A 27 27 LYS H H 27 8.870 8.978 -0.108 1
1 61 . 10 1 1 A 27 27 LYS HA H 27 3.860 4.119 -0.259 1
1 70 . 10 1 1 A 27 27 LYS CA C 27 60.500 59.059 1.441 1
1 71 . 10 1 1 A 27 27 LYS CB C 27 32.400 31.996 0.404 1
1 75 . 10 1 1 A 27 27 LYS N N 27 126.200 122.791 3.409 1
1 76 . 10 1 1 A 28 28 THR H H 28 8.110 8.162 -0.052 1
1 77 . 10 1 1 A 28 28 THR HA H 28 4.130 4.052 0.078 1
1 82 . 10 1 1 A 28 28 THR CA C 28 64.600 65.750 -1.150 1
1 83 . 10 1 1 A 28 28 THR CB C 28 68.000 68.255 -0.255 1
1 85 . 10 1 1 A 28 28 THR N N 28 107.100 112.636 -5.536 1
1 86 . 10 1 1 A 29 29 ASP H H 29 6.770 8.309 -1.539 1
1 87 . 10 1 1 A 29 29 ASP HA H 29 4.580 4.478 0.102 1
1 90 . 10 1 1 A 29 29 ASP CA C 29 56.600 57.082 -0.482 1
1 91 . 10 1 1 A 29 29 ASP CB C 29 40.600 40.510 0.090 1
1 92 . 10 1 1 A 29 29 ASP N N 29 119.500 122.710 -3.210 1
1 93 . 10 1 1 A 30 30 PHE H H 30 8.630 8.675 -0.045 1
1 94 . 10 1 1 A 30 30 PHE HA H 30 3.930 4.051 -0.121 1
1 102 . 10 1 1 A 30 30 PHE CA C 30 60.800 61.124 -0.324 1
1 103 . 10 1 1 A 30 30 PHE CB C 30 38.900 39.008 -0.108 1
1 107 . 10 1 1 A 30 30 PHE N N 30 123.300 122.696 0.604 1
1 108 . 10 1 1 A 31 31 ASP H H 31 8.650 8.232 0.418 1
1 109 . 10 1 1 A 31 31 ASP HA H 31 4.150 4.006 0.144 1
1 112 . 10 1 1 A 31 31 ASP CA C 31 57.000 57.389 -0.389 1
1 113 . 10 1 1 A 31 31 ASP CB C 31 39.800 41.517 -1.717 1
1 114 . 10 1 1 A 31 31 ASP N N 31 117.000 118.931 -1.931 1
1 115 . 10 1 1 A 32 32 LYS H H 32 6.930 7.551 -0.621 1
1 116 . 10 1 1 A 32 32 LYS HA H 32 4.110 4.114 -0.004 1
1 125 . 10 1 1 A 32 32 LYS CA C 32 58.300 58.969 -0.669 1
1 126 . 10 1 1 A 32 32 LYS CB C 32 33.100 32.549 0.551 1
1 130 . 10 1 1 A 32 32 LYS N N 32 114.800 118.926 -4.126 1
1 131 . 10 1 1 A 33 33 VAL H H 33 7.400 8.178 -0.778 1
1 132 . 10 1 1 A 33 33 VAL HA H 33 4.620 4.236 0.384 1
1 140 . 10 1 1 A 33 33 VAL CA C 33 60.100 63.312 -3.212 1
1 141 . 10 1 1 A 33 33 VAL CB C 33 32.300 31.958 0.342 1
1 144 . 10 1 1 A 33 33 VAL N N 33 109.100 115.409 -6.309 1
1 145 . 10 1 1 A 34 34 ALA H H 34 6.710 7.685 -0.975 1
1 146 . 10 1 1 A 34 34 ALA HA H 34 3.010 3.874 -0.864 1
1 150 . 10 1 1 A 34 34 ALA CA C 34 55.100 53.831 1.269 1
1 151 . 10 1 1 A 34 34 ALA CB C 34 19.200 18.100 1.100 1
1 152 . 10 1 1 A 34 34 ALA N N 34 124.300 125.560 -1.260 1
1 153 . 10 1 1 A 35 35 SER H H 35 8.120 7.410 0.710 1
1 154 . 10 1 1 A 35 35 SER HA H 35 4.320 4.320 0.000 1
1 157 . 10 1 1 A 35 35 SER CA C 35 60.400 60.538 -0.138 1
1 158 . 10 1 1 A 35 35 SER CB C 35 62.400 63.403 -1.003 1
1 159 . 10 1 1 A 35 35 SER N N 35 110.400 112.405 -2.005 1
1 160 . 10 1 1 A 36 36 GLU H H 36 8.300 7.822 0.478 1
1 161 . 10 1 1 A 36 36 GLU HA H 36 4.270 4.385 -0.115 1
1 166 . 10 1 1 A 36 36 GLU CA C 36 55.700 56.307 -0.607 1
1 167 . 10 1 1 A 36 36 GLU CB C 36 28.900 30.709 -1.809 1
1 169 . 10 1 1 A 36 36 GLU N N 36 119.200 118.129 1.071 1
1 170 . 10 1 1 A 37 37 TYR H H 37 7.920 7.481 0.439 1
1 171 . 10 1 1 A 37 37 TYR HA H 37 5.150 5.475 -0.325 1
1 178 . 10 1 1 A 37 37 TYR CA C 37 57.900 56.444 1.456 1
1 179 . 10 1 1 A 37 37 TYR CB C 37 44.100 42.560 1.540 1
1 182 . 10 1 1 A 37 37 TYR N N 37 117.200 118.955 -1.755 1
1 183 . 10 1 1 A 38 38 THR H H 38 9.480 9.391 0.089 1
1 184 . 10 1 1 A 38 38 THR HA H 38 4.840 5.143 -0.303 1
1 189 . 10 1 1 A 38 38 THR CA C 38 60.400 60.996 -0.596 1
1 190 . 10 1 1 A 38 38 THR CB C 38 71.200 72.496 -1.296 1
1 192 . 10 1 1 A 38 38 THR N N 38 115.400 115.795 -0.395 1
1 193 . 10 1 1 A 39 39 LYS H H 39 9.290 8.852 0.438 1
1 194 . 10 1 1 A 39 39 LYS HA H 39 3.880 3.961 -0.081 1
1 203 . 10 1 1 A 39 39 LYS CA C 39 57.500 57.119 0.381 1
1 204 . 10 1 1 A 39 39 LYS CB C 39 32.300 32.823 -0.523 1
1 208 . 10 1 1 A 39 39 LYS N N 39 130.400 127.540 2.860 1
1 209 . 10 1 1 A 40 40 ILE H H 40 8.820 8.258 0.562 1
1 210 . 10 1 1 A 40 40 ILE HA H 40 4.550 4.531 0.019 1
1 220 . 10 1 1 A 40 40 ILE CA C 40 60.900 59.973 0.927 1
1 221 . 10 1 1 A 40 40 ILE CB C 40 39.200 38.543 0.657 1
1 225 . 10 1 1 A 40 40 ILE N N 40 121.900 122.448 -0.548 1
1 226 . 10 1 1 A 41 41 GLY H H 41 7.130 7.346 -0.216 1
1 227 . 10 1 1 A 41 41 GLY HA2 H 41 3.950 4.021 -0.071 1
1 228 . 10 1 1 A 41 41 GLY HA3 H 41 4.260 4.031 0.229 1
1 229 . 10 1 1 A 41 41 GLY CA C 41 45.100 43.911 1.189 1
1 230 . 10 1 1 A 41 41 GLY N N 41 107.400 110.997 -3.597 1
1 231 . 10 1 1 A 42 42 THR H H 42 8.210 8.184 0.026 1
1 232 . 10 1 1 A 42 42 THR HA H 42 5.230 5.018 0.212 1
1 237 . 10 1 1 A 42 42 THR CA C 42 60.900 61.403 -0.503 1
1 238 . 10 1 1 A 42 42 THR CB C 42 72.300 71.016 1.284 1
1 240 . 10 1 1 A 42 42 THR N N 42 115.100 115.318 -0.218 1
1 241 . 10 1 1 A 43 43 ILE H H 43 9.130 9.323 -0.193 1
1 242 . 10 1 1 A 43 43 ILE HA H 43 4.790 5.122 -0.332 1
1 252 . 10 1 1 A 43 43 ILE CA C 43 59.400 58.973 0.427 1
1 253 . 10 1 1 A 43 43 ILE CB C 43 42.600 41.935 0.665 1
1 257 . 10 1 1 A 43 43 ILE N N 43 118.000 118.713 -0.713 1
1 258 . 10 1 1 A 44 44 SER H H 44 8.330 8.694 -0.364 1
1 259 . 10 1 1 A 44 44 SER HA H 44 5.250 4.850 0.400 1
1 262 . 10 1 1 A 44 44 SER CA C 44 56.700 56.536 0.164 1
1 263 . 10 1 1 A 44 44 SER CB C 44 66.000 64.723 1.277 1
1 264 . 10 1 1 A 44 44 SER N N 44 113.300 117.260 -3.960 1
1 265 . 10 1 1 A 45 45 THR H H 45 8.380 8.400 -0.020 1
1 266 . 10 1 1 A 45 45 THR HA H 45 4.550 5.200 -0.650 1
1 271 . 10 1 1 A 45 45 THR CA C 45 60.900 60.098 0.802 1
1 272 . 10 1 1 A 45 45 THR CB C 45 70.000 71.068 -1.068 1
1 274 . 10 1 1 A 45 45 THR N N 45 113.300 113.618 -0.318 1
1 275 . 10 1 1 A 46 46 THR H H 46 8.540 8.747 -0.207 1
1 276 . 10 1 1 A 46 46 THR HA H 46 4.400 4.822 -0.422 1
1 281 . 10 1 1 A 46 46 THR CA C 46 62.000 60.979 1.021 1
1 282 . 10 1 1 A 46 46 THR CB C 46 69.300 72.403 -3.103 1
1 284 . 10 1 1 A 46 46 THR N N 46 117.700 116.341 1.359 1
1 285 . 10 1 1 A 47 47 GLY H H 47 8.320 8.437 -0.117 1
1 286 . 10 1 1 A 47 47 GLY HA2 H 47 3.890 3.977 -0.087 1
1 287 . 10 1 1 A 47 47 GLY HA3 H 47 3.980 3.981 -0.001 1
1 288 . 10 1 1 A 47 47 GLY CA C 47 44.800 45.302 -0.502 1
1 289 . 10 1 1 A 47 47 GLY N N 47 111.700 114.112 -2.412 1
1 290 . 10 1 1 A 48 48 GLU H H 48 8.430 8.341 0.089 1
1 291 . 10 1 1 A 48 48 GLU HA H 48 4.390 4.410 -0.020 1
1 296 . 10 1 1 A 48 48 GLU CA C 48 55.600 57.050 -1.450 1
1 297 . 10 1 1 A 48 48 GLU CB C 48 29.400 28.397 1.003 1
1 299 . 10 1 1 A 48 48 GLU N N 48 120.100 116.572 3.528 1
1 300 . 10 1 1 A 49 49 MET H H 49 8.390 8.094 0.296 1
1 301 . 10 1 1 A 49 49 MET HA H 49 4.700 5.126 -0.426 1
1 306 . 10 1 1 A 49 49 MET CA C 49 55.000 54.054 0.946 1
1 307 . 10 1 1 A 49 49 MET CB C 49 35.900 37.204 -1.304 1
1 309 . 10 1 1 A 49 49 MET N N 49 120.000 120.274 -0.274 1
1 310 . 10 1 1 A 50 50 SER H H 50 9.020 8.695 0.325 1
1 311 . 10 1 1 A 50 50 SER HA H 50 4.780 4.744 0.036 1
1 314 . 10 1 1 A 50 50 SER CA C 50 57.700 56.955 0.745 1
1 315 . 10 1 1 A 50 50 SER CB C 50 62.600 62.759 -0.159 1
1 316 . 10 1 1 A 50 50 SER N N 50 117.900 116.195 1.705 1
1 317 . 10 1 1 A 51 51 PRO HA H 51 4.240 4.262 -0.022 1
1 324 . 10 1 1 A 51 51 PRO CA C 51 66.000 65.831 0.169 1
1 325 . 10 1 1 A 51 51 PRO CB C 51 31.800 31.745 0.055 1
1 328 . 10 1 1 A 52 52 LEU H H 52 8.160 7.530 0.630 1
1 329 . 10 1 1 A 52 52 LEU HA H 52 4.110 3.981 0.129 1
1 339 . 10 1 1 A 52 52 LEU CA C 52 57.900 57.576 0.324 1
1 340 . 10 1 1 A 52 52 LEU CB C 52 41.400 41.349 0.051 1
1 344 . 10 1 1 A 52 52 LEU N N 52 117.600 116.350 1.250 1
1 345 . 10 1 1 A 53 53 ASP H H 53 7.510 8.241 -0.731 1
1 346 . 10 1 1 A 53 53 ASP HA H 53 4.420 4.424 -0.004 1
1 349 . 10 1 1 A 53 53 ASP CA C 53 56.600 58.215 -1.615 1
1 350 . 10 1 1 A 53 53 ASP CB C 53 39.800 41.467 -1.667 1
1 351 . 10 1 1 A 53 53 ASP N N 53 119.900 119.864 0.036 1
1 352 . 10 1 1 A 54 54 ALA H H 54 8.800 8.576 0.224 1
1 353 . 10 1 1 A 54 54 ALA HA H 54 4.210 3.957 0.253 1
1 357 . 10 1 1 A 54 54 ALA CA C 54 54.700 55.401 -0.701 1
1 358 . 10 1 1 A 54 54 ALA CB C 54 18.200 18.046 0.154 1
1 359 . 10 1 1 A 54 54 ALA N N 54 123.400 121.505 1.895 1
1 360 . 10 1 1 A 55 55 ARG H H 55 7.860 7.851 0.009 1
1 361 . 10 1 1 A 55 55 ARG HA H 55 3.730 3.959 -0.229 1
1 368 . 10 1 1 A 55 55 ARG CA C 55 60.200 59.624 0.576 1
1 369 . 10 1 1 A 55 55 ARG CB C 55 30.100 29.952 0.148 1
1 372 . 10 1 1 A 55 55 ARG N N 55 117.100 118.496 -1.396 1
1 373 . 10 1 1 A 56 56 GLU H H 56 7.630 8.546 -0.916 1
1 374 . 10 1 1 A 56 56 GLU HA H 56 4.000 3.986 0.014 1
1 379 . 10 1 1 A 56 56 GLU CA C 56 58.800 59.618 -0.818 1
1 380 . 10 1 1 A 56 56 GLU CB C 56 28.300 28.958 -0.658 1
1 382 . 10 1 1 A 56 56 GLU N N 56 115.900 118.225 -2.325 1
1 383 . 10 1 1 A 57 57 ASP H H 57 8.120 7.738 0.382 1
1 384 . 10 1 1 A 57 57 ASP HA H 57 4.380 4.376 0.004 1
1 387 . 10 1 1 A 57 57 ASP CA C 57 57.400 56.411 0.989 1
1 388 . 10 1 1 A 57 57 ASP CB C 57 42.500 41.093 1.407 1
1 389 . 10 1 1 A 57 57 ASP N N 57 120.200 119.564 0.636 1
1 390 . 10 1 1 A 58 58 LEU H H 58 8.160 8.249 -0.089 1
1 391 . 10 1 1 A 58 58 LEU HA H 58 3.860 4.015 -0.155 1
1 401 . 10 1 1 A 58 58 LEU CA C 58 57.500 58.052 -0.552 1
1 402 . 10 1 1 A 58 58 LEU CB C 58 41.400 42.050 -0.650 1
1 406 . 10 1 1 A 58 58 LEU N N 58 117.300 119.787 -2.487 1
1 407 . 10 1 1 A 59 59 ILE H H 59 8.020 8.569 -0.549 1
1 408 . 10 1 1 A 59 59 ILE HA H 59 3.300 3.466 -0.166 1
1 418 . 10 1 1 A 59 59 ILE CA C 59 65.700 65.507 0.193 1
1 419 . 10 1 1 A 59 59 ILE CB C 59 37.500 37.876 -0.376 1
1 423 . 10 1 1 A 59 59 ILE N N 59 118.600 119.395 -0.795 1
1 424 . 10 1 1 A 60 60 LYS H H 60 7.890 8.225 -0.335 1
1 425 . 10 1 1 A 60 60 LYS HA H 60 4.090 4.004 0.086 1
1 434 . 10 1 1 A 60 60 LYS CA C 60 59.800 59.091 0.709 1
1 435 . 10 1 1 A 60 60 LYS CB C 60 31.900 32.068 -0.168 1
1 439 . 10 1 1 A 60 60 LYS N N 60 119.400 120.389 -0.989 1
1 440 . 10 1 1 A 61 61 LYS H H 61 8.080 7.997 0.083 1
1 441 . 10 1 1 A 61 61 LYS HA H 61 3.980 4.083 -0.103 1
1 450 . 10 1 1 A 61 61 LYS CA C 61 59.200 58.931 0.269 1
1 451 . 10 1 1 A 61 61 LYS CB C 61 33.500 32.319 1.181 1
1 455 . 10 1 1 A 61 61 LYS N N 61 119.200 119.712 -0.512 1
1 456 . 10 1 1 A 62 62 ALA H H 62 8.490 8.174 0.316 1
1 457 . 10 1 1 A 62 62 ALA HA H 62 3.770 4.080 -0.310 1
1 461 . 10 1 1 A 62 62 ALA CA C 62 54.900 55.214 -0.314 1
1 462 . 10 1 1 A 62 62 ALA CB C 62 19.100 18.218 0.882 1
1 463 . 10 1 1 A 62 62 ALA N N 62 122.200 122.056 0.144 1
1 464 . 10 1 1 A 63 63 ASP H H 63 8.850 8.106 0.744 1
1 465 . 10 1 1 A 63 63 ASP HA H 63 4.590 4.378 0.212 1
1 468 . 10 1 1 A 63 63 ASP CA C 63 56.900 57.554 -0.654 1
1 469 . 10 1 1 A 63 63 ASP CB C 63 39.000 41.775 -2.775 1
1 470 . 10 1 1 A 63 63 ASP N N 63 120.200 118.990 1.210 1
1 471 . 10 1 1 A 64 64 GLU H H 64 8.050 8.475 -0.425 1
1 472 . 10 1 1 A 64 64 GLU HA H 64 4.070 4.128 -0.058 1
1 477 . 10 1 1 A 64 64 GLU CA C 64 58.800 59.031 -0.231 1
1 478 . 10 1 1 A 64 64 GLU CB C 64 29.000 29.071 -0.071 1
1 480 . 10 1 1 A 64 64 GLU N N 64 121.300 119.407 1.893 1
1 481 . 10 1 1 A 65 65 LYS H H 65 7.180 7.946 -0.766 1
1 482 . 10 1 1 A 65 65 LYS HA H 65 4.310 4.342 -0.032 1
1 491 . 10 1 1 A 65 65 LYS CA C 65 54.800 56.985 -2.185 1
1 492 . 10 1 1 A 65 65 LYS CB C 65 33.000 33.271 -0.271 1
1 496 . 10 1 1 A 65 65 LYS N N 65 115.600 118.557 -2.957 1
1 497 . 10 1 1 A 66 66 GLY H H 66 7.870 7.481 0.389 1
1 498 . 10 1 1 A 66 66 GLY HA2 H 66 3.860 4.064 -0.204 1
1 499 . 10 1 1 A 66 66 GLY HA3 H 66 3.980 4.069 -0.089 1
1 500 . 10 1 1 A 66 66 GLY CA C 66 45.700 45.114 0.586 1
1 501 . 10 1 1 A 66 66 GLY N N 66 107.500 107.609 -0.109 1
1 502 . 10 1 1 A 67 67 ALA H H 67 7.920 7.639 0.281 1
1 503 . 10 1 1 A 67 67 ALA HA H 67 4.020 4.382 -0.362 1
1 507 . 10 1 1 A 67 67 ALA CA C 67 51.700 52.601 -0.901 1
1 508 . 10 1 1 A 67 67 ALA CB C 67 21.100 19.728 1.372 1
1 509 . 10 1 1 A 67 67 ALA N N 67 118.900 123.038 -4.138 1
1 510 . 10 1 1 A 68 68 ASP H H 68 8.790 9.358 -0.568 1
1 511 . 10 1 1 A 68 68 ASP HA H 68 5.070 5.538 -0.468 1
1 514 . 10 1 1 A 68 68 ASP CA C 68 56.500 56.454 0.046 1
1 515 . 10 1 1 A 68 68 ASP CB C 68 44.900 43.204 1.696 1
1 516 . 10 1 1 A 68 68 ASP N N 68 116.500 120.705 -4.205 1
1 517 . 10 1 1 A 69 69 VAL H H 69 8.070 8.105 -0.035 1
1 518 . 10 1 1 A 69 69 VAL HA H 69 5.130 4.858 0.272 1
1 526 . 10 1 1 A 69 69 VAL CA C 69 60.300 60.527 -0.227 1
1 527 . 10 1 1 A 69 69 VAL CB C 69 37.400 35.147 2.253 1
1 530 . 10 1 1 A 69 69 VAL N N 69 118.400 117.806 0.594 1
1 531 . 10 1 1 A 70 70 VAL H H 70 8.720 9.378 -0.658 1
1 532 . 10 1 1 A 70 70 VAL HA H 70 4.550 5.031 -0.481 1
1 540 . 10 1 1 A 70 70 VAL CA C 70 59.800 59.346 0.454 1
1 541 . 10 1 1 A 70 70 VAL CB C 70 34.200 34.713 -0.513 1
1 544 . 10 1 1 A 70 70 VAL N N 70 127.300 121.745 5.555 1
1 545 . 10 1 1 A 71 71 VAL H H 71 8.890 9.114 -0.224 1
1 546 . 10 1 1 A 71 71 VAL HA H 71 4.550 4.594 -0.044 1
1 554 . 10 1 1 A 71 71 VAL CA C 71 60.800 60.902 -0.102 1
1 555 . 10 1 1 A 71 71 VAL CB C 71 34.000 33.958 0.042 1
1 558 . 10 1 1 A 71 71 VAL N N 71 126.700 122.858 3.842 1
1 559 . 10 1 1 A 72 72 LEU H H 72 8.800 8.814 -0.014 1
1 560 . 10 1 1 A 72 72 LEU HA H 72 4.440 4.424 0.016 1
1 570 . 10 1 1 A 72 72 LEU CA C 72 55.700 54.276 1.424 1
1 571 . 10 1 1 A 72 72 LEU CB C 72 41.500 40.006 1.494 1
1 575 . 10 1 1 A 72 72 LEU N N 72 127.400 128.624 -1.224 1
1 576 . 10 1 1 A 73 73 THR H H 73 8.630 8.039 0.591 1
1 577 . 10 1 1 A 73 73 THR HA H 73 4.430 3.868 0.562 1
1 582 . 10 1 1 A 73 73 THR CA C 73 61.500 65.511 -4.011 1
1 583 . 10 1 1 A 73 73 THR CB C 73 69.400 69.110 0.290 1
1 585 . 10 1 1 A 73 73 THR N N 73 114.000 115.592 -1.592 1
1 586 . 10 1 1 A 74 74 SER H H 74 8.130 8.494 -0.364 1
1 587 . 10 1 1 A 74 74 SER HA H 74 4.540 4.416 0.124 1
1 590 . 10 1 1 A 74 74 SER CA C 74 58.000 60.650 -2.650 1
1 591 . 10 1 1 A 74 74 SER CB C 74 63.800 61.984 1.816 1
1 592 . 10 1 1 A 74 74 SER N N 74 116.000 114.177 1.823 1
1 593 . 10 1 1 A 75 75 GLY H H 75 8.570 8.729 -0.159 1
1 594 . 10 1 1 A 75 75 GLY HA2 H 75 4.040 4.276 -0.236 1
1 595 . 10 1 1 A 75 75 GLY HA3 H 75 4.040 4.295 -0.255 1
1 596 . 10 1 1 A 75 75 GLY CA C 75 45.100 45.362 -0.262 1
1 597 . 10 1 1 A 75 75 GLY N N 75 109.800 109.111 0.689 1
1 598 . 10 1 1 A 76 76 GLN H H 76 8.390 8.593 -0.203 1
1 599 . 10 1 1 A 76 76 GLN HA H 76 4.490 4.754 -0.264 1
1 606 . 10 1 1 A 76 76 GLN CA C 76 55.900 54.637 1.263 1
1 607 . 10 1 1 A 76 76 GLN CB C 76 29.600 29.115 0.485 1
1 609 . 10 1 1 A 76 76 GLN N N 76 119.200 120.843 -1.643 1
1 611 . 10 1 1 A 77 77 THR H H 77 8.100 7.903 0.197 1
1 612 . 10 1 1 A 77 77 THR HA H 77 4.420 4.706 -0.286 1
1 617 . 10 1 1 A 77 77 THR CA C 77 61.300 61.147 0.153 1
1 618 . 10 1 1 A 77 77 THR CB C 77 69.700 69.073 0.627 1
1 620 . 10 1 1 A 77 77 THR N N 77 113.000 117.050 -4.050 1
1 621 . 10 1 1 A 78 78 GLU H H 78 8.450 8.694 -0.244 1
1 622 . 10 1 1 A 78 78 GLU HA H 78 4.250 4.249 0.001 1
1 627 . 10 1 1 A 78 78 GLU CA C 78 56.900 58.841 -1.941 1
1 628 . 10 1 1 A 78 78 GLU CB C 78 29.500 29.352 0.148 1
1 630 . 10 1 1 A 78 78 GLU N N 78 120.700 125.873 -5.173 1
1 631 . 10 1 1 A 79 79 ASN H H 79 8.320 8.155 0.165 1
1 632 . 10 1 1 A 79 79 ASN HA H 79 4.600 4.371 0.229 1
1 637 . 10 1 1 A 79 79 ASN CA C 79 53.700 56.346 -2.646 1
1 638 . 10 1 1 A 79 79 ASN CB C 79 38.600 39.234 -0.634 1
1 639 . 10 1 1 A 79 79 ASN N N 79 117.000 118.736 -1.736 1
1 641 . 10 1 1 A 80 80 LYS H H 80 7.910 7.747 0.163 1
1 642 . 10 1 1 A 80 80 LYS HA H 80 4.300 4.306 -0.006 1
1 651 . 10 1 1 A 80 80 LYS CA C 80 56.000 55.826 0.174 1
1 652 . 10 1 1 A 80 80 LYS CB C 80 33.300 32.210 1.090 1
1 656 . 10 1 1 A 80 80 LYS N N 80 118.800 113.918 4.882 1
1 657 . 10 1 1 A 81 81 ILE H H 81 8.340 7.826 0.514 1
1 658 . 10 1 1 A 81 81 ILE HA H 81 4.300 4.698 -0.398 1
1 668 . 10 1 1 A 81 81 ILE CA C 81 60.500 62.891 -2.391 1
1 669 . 10 1 1 A 81 81 ILE CB C 81 39.800 37.022 2.778 1
1 673 . 10 1 1 A 81 81 ILE N N 81 119.600 116.758 2.842 1
1 674 . 10 1 1 A 82 82 HIS H H 82 8.470 8.591 -0.121 1
1 675 . 10 1 1 A 82 82 HIS HA H 82 4.780 4.982 -0.202 1
1 680 . 10 1 1 A 82 82 HIS CA C 82 54.700 54.970 -0.270 1
1 681 . 10 1 1 A 82 82 HIS CB C 82 28.900 31.005 -2.105 1
1 684 . 10 1 1 A 82 82 HIS N N 82 121.600 125.292 -3.692 1
1 685 . 10 1 1 A 83 83 GLY H H 83 8.340 7.759 0.581 1
1 686 . 10 1 1 A 83 83 GLY HA2 H 83 3.690 3.845 -0.155 1
1 687 . 10 1 1 A 83 83 GLY HA3 H 83 4.190 3.853 0.337 1
1 688 . 10 1 1 A 83 83 GLY CA C 83 45.000 45.595 -0.595 1
1 689 . 10 1 1 A 83 83 GLY N N 83 111.600 108.835 2.765 1
1 690 . 10 1 1 A 84 84 THR H H 84 8.120 8.529 -0.409 1
1 691 . 10 1 1 A 84 84 THR HA H 84 5.030 5.437 -0.407 1
1 696 . 10 1 1 A 84 84 THR CA C 84 60.100 59.349 0.751 1
1 697 . 10 1 1 A 84 84 THR CB C 84 72.000 71.835 0.165 1
1 699 . 10 1 1 A 84 84 THR N N 84 112.300 113.202 -0.902 1
1 700 . 10 1 1 A 85 85 ALA H H 85 8.840 9.025 -0.185 1
1 701 . 10 1 1 A 85 85 ALA HA H 85 4.950 5.396 -0.446 1
1 705 . 10 1 1 A 85 85 ALA CA C 85 51.200 50.558 0.642 1
1 706 . 10 1 1 A 85 85 ALA CB C 85 23.800 22.622 1.178 1
1 707 . 10 1 1 A 85 85 ALA N N 85 122.500 123.501 -1.001 1
1 708 . 10 1 1 A 86 86 ASP H H 86 8.510 9.219 -0.709 1
1 709 . 10 1 1 A 86 86 ASP HA H 86 5.200 5.372 -0.172 1
1 712 . 10 1 1 A 86 86 ASP CA C 86 53.400 52.729 0.671 1
1 713 . 10 1 1 A 86 86 ASP CB C 86 43.100 44.362 -1.262 1
1 714 . 10 1 1 A 86 86 ASP N N 86 121.400 123.023 -1.623 1
1 715 . 10 1 1 A 87 87 ILE H H 87 7.970 8.528 -0.558 1
1 716 . 10 1 1 A 87 87 ILE HA H 87 5.370 5.257 0.113 1
1 726 . 10 1 1 A 87 87 ILE CA C 87 58.200 59.215 -1.015 1
1 727 . 10 1 1 A 87 87 ILE CB C 87 41.200 40.773 0.427 1
1 731 . 10 1 1 A 87 87 ILE N N 87 111.200 120.332 -9.132 1
1 732 . 10 1 1 A 88 88 TYR H H 88 8.750 9.674 -0.924 1
1 733 . 10 1 1 A 88 88 TYR HA H 88 5.440 5.518 -0.078 1
1 740 . 10 1 1 A 88 88 TYR CA C 88 56.900 56.276 0.624 1
1 741 . 10 1 1 A 88 88 TYR CB C 88 44.000 43.350 0.650 1
1 744 . 10 1 1 A 88 88 TYR N N 88 118.000 121.389 -3.389 1
1 745 . 10 1 1 A 89 89 LYS H H 89 9.590 9.374 0.216 1
1 746 . 10 1 1 A 89 89 LYS HA H 89 5.170 5.006 0.164 1
1 755 . 10 1 1 A 89 89 LYS CA C 89 54.400 54.347 0.053 1
1 756 . 10 1 1 A 89 89 LYS CB C 89 36.800 35.062 1.738 1
1 760 . 10 1 1 A 89 89 LYS N N 89 123.500 121.032 2.468 1
1 761 . 10 1 1 A 90 90 LYS H H 90 10.190 8.877 1.313 1
1 762 . 10 1 1 A 90 90 LYS HA H 90 3.810 3.999 -0.189 1
1 771 . 10 1 1 A 90 90 LYS CA C 90 57.500 56.649 0.851 1
1 772 . 10 1 1 A 90 90 LYS CB C 90 32.700 33.045 -0.345 1
1 776 . 10 1 1 A 90 90 LYS N N 90 129.200 121.896 7.304 1
1 777 . 10 1 1 A 91 91 LYS H H 91 8.450 8.379 0.071 1
1 778 . 10 1 1 A 91 91 LYS HA H 91 4.100 4.546 -0.446 1
1 787 . 10 1 1 A 91 91 LYS CA C 91 57.300 54.626 2.674 1
1 788 . 10 1 1 A 91 91 LYS CB C 91 33.100 34.440 -1.340 1
1 792 . 10 1 1 A 91 91 LYS N N 91 125.900 121.304 4.596 1
1 793 . 10 1 1 A 92 92 LEU H H 92 8.270 8.412 -0.142 1
1 794 . 10 1 1 A 92 92 LEU HA H 92 4.280 4.387 -0.107 1
1 804 . 10 1 1 A 92 92 LEU CA C 92 54.600 55.154 -0.554 1
1 805 . 10 1 1 A 92 92 LEU CB C 92 42.100 42.146 -0.046 1
1 809 . 10 1 1 A 92 92 LEU N N 92 123.200 119.967 3.233 1
1 810 . 10 1 1 A 93 93 GLU H H 93 8.310 7.640 0.670 1
1 811 . 10 1 1 A 93 93 GLU HA H 93 4.220 4.634 -0.414 1
1 816 . 10 1 1 A 93 93 GLU CA C 93 55.700 55.722 -0.022 1
1 817 . 10 1 1 A 93 93 GLU CB C 93 30.200 30.474 -0.274 1
1 819 . 10 1 1 A 93 93 GLU N N 93 122.000 121.395 0.605 1
1 820 . 10 1 1 A 94 94 HIS H H 94 8.570 8.546 0.024 1
1 821 . 10 1 1 A 94 94 HIS HA H 94 4.630 4.828 -0.198 1
1 826 . 10 1 1 A 94 94 HIS CA C 94 55.000 54.754 0.246 1
1 827 . 10 1 1 A 94 94 HIS CB C 94 28.900 31.818 -2.918 1
1 830 . 10 1 1 A 94 94 HIS N N 94 119.700 126.836 -7.136 1
1 831 . 10 1 1 A 95 95 HIS H H 95 8.610 8.504 0.106 1
1 832 . 10 1 1 A 95 95 HIS HA H 95 4.650 4.307 0.343 1
1 837 . 10 1 1 A 95 95 HIS CA C 95 55.200 55.855 -0.655 1
1 838 . 10 1 1 A 95 95 HIS CB C 95 28.900 30.120 -1.220 1
1 841 . 10 1 1 A 95 95 HIS N N 95 119.300 123.705 -4.405 1
1 842 . 10 1 1 A 96 96 HIS H H 96 8.680 8.641 0.039 1
1 843 . 10 1 1 A 96 96 HIS HA H 96 4.660 4.442 0.218 1
1 848 . 10 1 1 A 96 96 HIS CA C 96 55.200 56.083 -0.883 1
1 849 . 10 1 1 A 96 96 HIS CB C 96 29.100 31.025 -1.925 1
1 852 . 10 1 1 A 96 96 HIS N N 96 120.100 122.159 -2.059 1
1 853 . 10 1 1 A 97 97 HIS H H 97 8.580 9.103 -0.523 1
1 854 . 10 1 1 A 97 97 HIS HA H 97 4.660 4.218 0.442 1
1 859 . 10 1 1 A 97 97 HIS CA C 97 55.400 56.755 -1.355 1
1 860 . 10 1 1 A 97 97 HIS CB C 97 29.200 28.444 0.756 1
1 863 . 10 1 1 A 97 97 HIS N N 97 120.400 121.320 -0.920 1
1 864 . 10 1 1 A 98 98 HIS H H 98 8.390 8.166 0.224 1
1 865 . 10 1 1 A 98 98 HIS HA H 98 4.620 4.241 0.379 1
1 870 . 10 1 1 A 98 98 HIS CA C 98 55.500 58.761 -3.261 1
1 871 . 10 1 1 A 98 98 HIS CB C 98 29.100 29.337 -0.237 1
1 1 . 11 1 1 A 22 22 ALA HA H 22 4.130 4.966 -0.836 1
1 5 . 11 1 1 A 22 22 ALA CA C 22 50.900 52.839 -1.939 1
1 6 . 11 1 1 A 22 22 ALA CB C 22 20.200 18.693 1.507 1
1 7 . 11 1 1 A 23 23 GLU H H 23 7.920 9.132 -1.212 1
1 8 . 11 1 1 A 23 23 GLU HA H 23 4.710 4.954 -0.244 1
1 13 . 11 1 1 A 23 23 GLU CA C 23 54.300 54.917 -0.617 1
1 14 . 11 1 1 A 23 23 GLU CB C 23 32.500 33.335 -0.835 1
1 16 . 11 1 1 A 23 23 GLU N N 23 117.600 123.855 -6.255 1
1 17 . 11 1 1 A 24 24 ILE H H 24 8.870 8.421 0.449 1
1 18 . 11 1 1 A 24 24 ILE HA H 24 4.870 4.636 0.234 1
1 28 . 11 1 1 A 24 24 ILE CA C 24 60.200 60.885 -0.685 1
1 29 . 11 1 1 A 24 24 ILE CB C 24 38.100 37.791 0.309 1
1 33 . 11 1 1 A 24 24 ILE N N 24 123.800 126.832 -3.032 1
1 34 . 11 1 1 A 25 25 MET H H 25 8.720 8.759 -0.039 1
1 35 . 11 1 1 A 25 25 MET HA H 25 4.760 5.097 -0.337 1
1 40 . 11 1 1 A 25 25 MET CA C 25 54.300 53.997 0.303 1
1 41 . 11 1 1 A 25 25 MET CB C 25 37.100 35.766 1.334 1
1 43 . 11 1 1 A 25 25 MET N N 25 127.100 125.334 1.766 1
1 44 . 11 1 1 A 26 26 LYS H H 26 9.190 8.930 0.260 1
1 45 . 11 1 1 A 26 26 LYS HA H 26 4.320 4.379 -0.059 1
1 54 . 11 1 1 A 26 26 LYS CA C 26 56.600 55.878 0.722 1
1 55 . 11 1 1 A 26 26 LYS CB C 26 32.900 33.181 -0.281 1
1 59 . 11 1 1 A 26 26 LYS N N 26 123.500 121.288 2.212 1
1 60 . 11 1 1 A 27 27 LYS H H 27 8.870 8.933 -0.063 1
1 61 . 11 1 1 A 27 27 LYS HA H 27 3.860 4.187 -0.327 1
1 70 . 11 1 1 A 27 27 LYS CA C 27 60.500 58.941 1.559 1
1 71 . 11 1 1 A 27 27 LYS CB C 27 32.400 31.995 0.405 1
1 75 . 11 1 1 A 27 27 LYS N N 27 126.200 122.920 3.280 1
1 76 . 11 1 1 A 28 28 THR H H 28 8.110 8.120 -0.010 1
1 77 . 11 1 1 A 28 28 THR HA H 28 4.130 4.050 0.080 1
1 82 . 11 1 1 A 28 28 THR CA C 28 64.600 65.419 -0.819 1
1 83 . 11 1 1 A 28 28 THR CB C 28 68.000 68.539 -0.539 1
1 85 . 11 1 1 A 28 28 THR N N 28 107.100 113.405 -6.305 1
1 86 . 11 1 1 A 29 29 ASP H H 29 6.770 8.394 -1.624 1
1 87 . 11 1 1 A 29 29 ASP HA H 29 4.580 4.341 0.239 1
1 90 . 11 1 1 A 29 29 ASP CA C 29 56.600 56.753 -0.153 1
1 91 . 11 1 1 A 29 29 ASP CB C 29 40.600 39.716 0.884 1
1 92 . 11 1 1 A 29 29 ASP N N 29 119.500 121.105 -1.605 1
1 93 . 11 1 1 A 30 30 PHE H H 30 8.630 8.913 -0.283 1
1 94 . 11 1 1 A 30 30 PHE HA H 30 3.930 3.959 -0.029 1
1 102 . 11 1 1 A 30 30 PHE CA C 30 60.800 60.209 0.591 1
1 103 . 11 1 1 A 30 30 PHE CB C 30 38.900 38.990 -0.090 1
1 107 . 11 1 1 A 30 30 PHE N N 30 123.300 121.854 1.446 1
1 108 . 11 1 1 A 31 31 ASP H H 31 8.650 7.984 0.666 1
1 109 . 11 1 1 A 31 31 ASP HA H 31 4.150 3.855 0.295 1
1 112 . 11 1 1 A 31 31 ASP CA C 31 57.000 57.183 -0.183 1
1 113 . 11 1 1 A 31 31 ASP CB C 31 39.800 41.276 -1.476 1
1 114 . 11 1 1 A 31 31 ASP N N 31 117.000 118.681 -1.681 1
1 115 . 11 1 1 A 32 32 LYS H H 32 6.930 7.473 -0.543 1
1 116 . 11 1 1 A 32 32 LYS HA H 32 4.110 4.032 0.078 1
1 125 . 11 1 1 A 32 32 LYS CA C 32 58.300 59.099 -0.799 1
1 126 . 11 1 1 A 32 32 LYS CB C 32 33.100 32.551 0.549 1
1 130 . 11 1 1 A 32 32 LYS N N 32 114.800 119.294 -4.494 1
1 131 . 11 1 1 A 33 33 VAL H H 33 7.400 7.928 -0.528 1
1 132 . 11 1 1 A 33 33 VAL HA H 33 4.620 3.847 0.773 1
1 140 . 11 1 1 A 33 33 VAL CA C 33 60.100 64.088 -3.988 1
1 141 . 11 1 1 A 33 33 VAL CB C 33 32.300 30.869 1.431 1
1 144 . 11 1 1 A 33 33 VAL N N 33 109.100 114.829 -5.729 1
1 145 . 11 1 1 A 34 34 ALA H H 34 6.710 8.095 -1.385 1
1 146 . 11 1 1 A 34 34 ALA HA H 34 3.010 3.852 -0.842 1
1 150 . 11 1 1 A 34 34 ALA CA C 34 55.100 53.901 1.199 1
1 151 . 11 1 1 A 34 34 ALA CB C 34 19.200 17.960 1.240 1
1 152 . 11 1 1 A 34 34 ALA N N 34 124.300 124.341 -0.041 1
1 153 . 11 1 1 A 35 35 SER H H 35 8.120 7.526 0.594 1
1 154 . 11 1 1 A 35 35 SER HA H 35 4.320 4.091 0.229 1
1 157 . 11 1 1 A 35 35 SER CA C 35 60.400 61.255 -0.855 1
1 158 . 11 1 1 A 35 35 SER CB C 35 62.400 63.295 -0.895 1
1 159 . 11 1 1 A 35 35 SER N N 35 110.400 112.943 -2.543 1
1 160 . 11 1 1 A 36 36 GLU H H 36 8.300 8.302 -0.002 1
1 161 . 11 1 1 A 36 36 GLU HA H 36 4.270 4.598 -0.328 1
1 166 . 11 1 1 A 36 36 GLU CA C 36 55.700 56.147 -0.447 1
1 167 . 11 1 1 A 36 36 GLU CB C 36 28.900 30.761 -1.861 1
1 169 . 11 1 1 A 36 36 GLU N N 36 119.200 117.856 1.344 1
1 170 . 11 1 1 A 37 37 TYR H H 37 7.920 7.709 0.211 1
1 171 . 11 1 1 A 37 37 TYR HA H 37 5.150 5.287 -0.137 1
1 178 . 11 1 1 A 37 37 TYR CA C 37 57.900 56.228 1.672 1
1 179 . 11 1 1 A 37 37 TYR CB C 37 44.100 42.306 1.794 1
1 182 . 11 1 1 A 37 37 TYR N N 37 117.200 119.710 -2.510 1
1 183 . 11 1 1 A 38 38 THR H H 38 9.480 9.168 0.312 1
1 184 . 11 1 1 A 38 38 THR HA H 38 4.840 5.075 -0.235 1
1 189 . 11 1 1 A 38 38 THR CA C 38 60.400 61.261 -0.861 1
1 190 . 11 1 1 A 38 38 THR CB C 38 71.200 72.399 -1.199 1
1 192 . 11 1 1 A 38 38 THR N N 38 115.400 115.675 -0.275 1
1 193 . 11 1 1 A 39 39 LYS H H 39 9.290 8.797 0.493 1
1 194 . 11 1 1 A 39 39 LYS HA H 39 3.880 3.946 -0.066 1
1 203 . 11 1 1 A 39 39 LYS CA C 39 57.500 57.248 0.252 1
1 204 . 11 1 1 A 39 39 LYS CB C 39 32.300 31.589 0.711 1
1 208 . 11 1 1 A 39 39 LYS N N 39 130.400 129.905 0.495 1
1 209 . 11 1 1 A 40 40 ILE H H 40 8.820 8.728 0.092 1
1 210 . 11 1 1 A 40 40 ILE HA H 40 4.550 4.434 0.116 1
1 220 . 11 1 1 A 40 40 ILE CA C 40 60.900 61.339 -0.439 1
1 221 . 11 1 1 A 40 40 ILE CB C 40 39.200 38.809 0.391 1
1 225 . 11 1 1 A 40 40 ILE N N 40 121.900 122.610 -0.710 1
1 226 . 11 1 1 A 41 41 GLY H H 41 7.130 7.169 -0.039 1
1 227 . 11 1 1 A 41 41 GLY HA2 H 41 3.950 4.009 -0.059 1
1 228 . 11 1 1 A 41 41 GLY HA3 H 41 4.260 4.022 0.238 1
1 229 . 11 1 1 A 41 41 GLY CA C 41 45.100 44.993 0.107 1
1 230 . 11 1 1 A 41 41 GLY N N 41 107.400 108.927 -1.527 1
1 231 . 11 1 1 A 42 42 THR H H 42 8.210 8.291 -0.081 1
1 232 . 11 1 1 A 42 42 THR HA H 42 5.230 5.000 0.230 1
1 237 . 11 1 1 A 42 42 THR CA C 42 60.900 61.425 -0.525 1
1 238 . 11 1 1 A 42 42 THR CB C 42 72.300 70.977 1.323 1
1 240 . 11 1 1 A 42 42 THR N N 42 115.100 115.282 -0.182 1
1 241 . 11 1 1 A 43 43 ILE H H 43 9.130 9.299 -0.169 1
1 242 . 11 1 1 A 43 43 ILE HA H 43 4.790 5.092 -0.302 1
1 252 . 11 1 1 A 43 43 ILE CA C 43 59.400 58.988 0.412 1
1 253 . 11 1 1 A 43 43 ILE CB C 43 42.600 41.690 0.910 1
1 257 . 11 1 1 A 43 43 ILE N N 43 118.000 120.201 -2.201 1
1 258 . 11 1 1 A 44 44 SER H H 44 8.330 8.691 -0.361 1
1 259 . 11 1 1 A 44 44 SER HA H 44 5.250 4.722 0.528 1
1 262 . 11 1 1 A 44 44 SER CA C 44 56.700 56.953 -0.253 1
1 263 . 11 1 1 A 44 44 SER CB C 44 66.000 64.980 1.020 1
1 264 . 11 1 1 A 44 44 SER N N 44 113.300 117.019 -3.719 1
1 265 . 11 1 1 A 45 45 THR H H 45 8.380 8.151 0.229 1
1 266 . 11 1 1 A 45 45 THR HA H 45 4.550 5.246 -0.696 1
1 271 . 11 1 1 A 45 45 THR CA C 45 60.900 59.224 1.676 1
1 272 . 11 1 1 A 45 45 THR CB C 45 70.000 71.921 -1.921 1
1 274 . 11 1 1 A 45 45 THR N N 45 113.300 113.606 -0.306 1
1 275 . 11 1 1 A 46 46 THR H H 46 8.540 8.696 -0.156 1
1 276 . 11 1 1 A 46 46 THR HA H 46 4.400 4.984 -0.584 1
1 281 . 11 1 1 A 46 46 THR CA C 46 62.000 61.173 0.827 1
1 282 . 11 1 1 A 46 46 THR CB C 46 69.300 71.784 -2.484 1
1 284 . 11 1 1 A 46 46 THR N N 46 117.700 114.808 2.892 1
1 285 . 11 1 1 A 47 47 GLY H H 47 8.320 8.434 -0.114 1
1 286 . 11 1 1 A 47 47 GLY HA2 H 47 3.890 4.208 -0.318 1
1 287 . 11 1 1 A 47 47 GLY HA3 H 47 3.980 4.214 -0.234 1
1 288 . 11 1 1 A 47 47 GLY CA C 47 44.800 44.525 0.275 1
1 289 . 11 1 1 A 47 47 GLY N N 47 111.700 112.460 -0.760 1
1 290 . 11 1 1 A 48 48 GLU H H 48 8.430 8.517 -0.087 1
1 291 . 11 1 1 A 48 48 GLU HA H 48 4.390 4.632 -0.242 1
1 296 . 11 1 1 A 48 48 GLU CA C 48 55.600 57.290 -1.690 1
1 297 . 11 1 1 A 48 48 GLU CB C 48 29.400 29.724 -0.324 1
1 299 . 11 1 1 A 48 48 GLU N N 48 120.100 121.521 -1.421 1
1 300 . 11 1 1 A 49 49 MET H H 49 8.390 8.711 -0.321 1
1 301 . 11 1 1 A 49 49 MET HA H 49 4.700 5.023 -0.323 1
1 306 . 11 1 1 A 49 49 MET CA C 49 55.000 54.089 0.911 1
1 307 . 11 1 1 A 49 49 MET CB C 49 35.900 37.636 -1.736 1
1 309 . 11 1 1 A 49 49 MET N N 49 120.000 123.701 -3.701 1
1 310 . 11 1 1 A 50 50 SER H H 50 9.020 8.577 0.443 1
1 311 . 11 1 1 A 50 50 SER HA H 50 4.780 4.589 0.191 1
1 314 . 11 1 1 A 50 50 SER CA C 50 57.700 57.288 0.412 1
1 315 . 11 1 1 A 50 50 SER CB C 50 62.600 62.530 0.070 1
1 316 . 11 1 1 A 50 50 SER N N 50 117.900 117.118 0.782 1
1 317 . 11 1 1 A 51 51 PRO HA H 51 4.240 4.309 -0.069 1
1 324 . 11 1 1 A 51 51 PRO CA C 51 66.000 65.859 0.141 1
1 325 . 11 1 1 A 51 51 PRO CB C 51 31.800 31.697 0.103 1
1 328 . 11 1 1 A 52 52 LEU H H 52 8.160 7.637 0.523 1
1 329 . 11 1 1 A 52 52 LEU HA H 52 4.110 4.062 0.048 1
1 339 . 11 1 1 A 52 52 LEU CA C 52 57.900 57.127 0.773 1
1 340 . 11 1 1 A 52 52 LEU CB C 52 41.400 41.716 -0.316 1
1 344 . 11 1 1 A 52 52 LEU N N 52 117.600 117.353 0.247 1
1 345 . 11 1 1 A 53 53 ASP H H 53 7.510 8.305 -0.795 1
1 346 . 11 1 1 A 53 53 ASP HA H 53 4.420 4.366 0.054 1
1 349 . 11 1 1 A 53 53 ASP CA C 53 56.600 57.054 -0.454 1
1 350 . 11 1 1 A 53 53 ASP CB C 53 39.800 40.045 -0.245 1
1 351 . 11 1 1 A 53 53 ASP N N 53 119.900 119.478 0.422 1
1 352 . 11 1 1 A 54 54 ALA H H 54 8.800 8.331 0.469 1
1 353 . 11 1 1 A 54 54 ALA HA H 54 4.210 4.083 0.127 1
1 357 . 11 1 1 A 54 54 ALA CA C 54 54.700 54.935 -0.235 1
1 358 . 11 1 1 A 54 54 ALA CB C 54 18.200 18.189 0.011 1
1 359 . 11 1 1 A 54 54 ALA N N 54 123.400 122.804 0.596 1
1 360 . 11 1 1 A 55 55 ARG H H 55 7.860 7.728 0.132 1
1 361 . 11 1 1 A 55 55 ARG HA H 55 3.730 4.052 -0.322 1
1 368 . 11 1 1 A 55 55 ARG CA C 55 60.200 59.708 0.492 1
1 369 . 11 1 1 A 55 55 ARG CB C 55 30.100 29.823 0.277 1
1 372 . 11 1 1 A 55 55 ARG N N 55 117.100 117.645 -0.545 1
1 373 . 11 1 1 A 56 56 GLU H H 56 7.630 8.506 -0.876 1
1 374 . 11 1 1 A 56 56 GLU HA H 56 4.000 4.044 -0.044 1
1 379 . 11 1 1 A 56 56 GLU CA C 56 58.800 59.542 -0.742 1
1 380 . 11 1 1 A 56 56 GLU CB C 56 28.300 29.222 -0.922 1
1 382 . 11 1 1 A 56 56 GLU N N 56 115.900 119.616 -3.716 1
1 383 . 11 1 1 A 57 57 ASP H H 57 8.120 7.888 0.232 1
1 384 . 11 1 1 A 57 57 ASP HA H 57 4.380 4.403 -0.023 1
1 387 . 11 1 1 A 57 57 ASP CA C 57 57.400 56.941 0.459 1
1 388 . 11 1 1 A 57 57 ASP CB C 57 42.500 41.188 1.312 1
1 389 . 11 1 1 A 57 57 ASP N N 57 120.200 120.423 -0.223 1
1 390 . 11 1 1 A 58 58 LEU H H 58 8.160 7.911 0.249 1
1 391 . 11 1 1 A 58 58 LEU HA H 58 3.860 4.034 -0.174 1
1 401 . 11 1 1 A 58 58 LEU CA C 58 57.500 57.815 -0.315 1
1 402 . 11 1 1 A 58 58 LEU CB C 58 41.400 41.832 -0.432 1
1 406 . 11 1 1 A 58 58 LEU N N 58 117.300 119.364 -2.064 1
1 407 . 11 1 1 A 59 59 ILE H H 59 8.020 8.393 -0.373 1
1 408 . 11 1 1 A 59 59 ILE HA H 59 3.300 3.491 -0.191 1
1 418 . 11 1 1 A 59 59 ILE CA C 59 65.700 65.414 0.286 1
1 419 . 11 1 1 A 59 59 ILE CB C 59 37.500 37.491 0.009 1
1 423 . 11 1 1 A 59 59 ILE N N 59 118.600 119.630 -1.030 1
1 424 . 11 1 1 A 60 60 LYS H H 60 7.890 8.435 -0.545 1
1 425 . 11 1 1 A 60 60 LYS HA H 60 4.090 3.859 0.231 1
1 434 . 11 1 1 A 60 60 LYS CA C 60 59.800 60.531 -0.731 1
1 435 . 11 1 1 A 60 60 LYS CB C 60 31.900 32.330 -0.430 1
1 439 . 11 1 1 A 60 60 LYS N N 60 119.400 119.163 0.237 1
1 440 . 11 1 1 A 61 61 LYS H H 61 8.080 8.203 -0.123 1
1 441 . 11 1 1 A 61 61 LYS HA H 61 3.980 4.090 -0.110 1
1 450 . 11 1 1 A 61 61 LYS CA C 61 59.200 58.853 0.347 1
1 451 . 11 1 1 A 61 61 LYS CB C 61 33.500 32.171 1.329 1
1 455 . 11 1 1 A 61 61 LYS N N 61 119.200 120.002 -0.802 1
1 456 . 11 1 1 A 62 62 ALA H H 62 8.490 8.292 0.198 1
1 457 . 11 1 1 A 62 62 ALA HA H 62 3.770 4.070 -0.300 1
1 461 . 11 1 1 A 62 62 ALA CA C 62 54.900 55.213 -0.313 1
1 462 . 11 1 1 A 62 62 ALA CB C 62 19.100 18.391 0.709 1
1 463 . 11 1 1 A 62 62 ALA N N 62 122.200 121.900 0.300 1
1 464 . 11 1 1 A 63 63 ASP H H 63 8.850 8.272 0.578 1
1 465 . 11 1 1 A 63 63 ASP HA H 63 4.590 4.417 0.173 1
1 468 . 11 1 1 A 63 63 ASP CA C 63 56.900 57.566 -0.666 1
1 469 . 11 1 1 A 63 63 ASP CB C 63 39.000 41.028 -2.028 1
1 470 . 11 1 1 A 63 63 ASP N N 63 120.200 118.101 2.099 1
1 471 . 11 1 1 A 64 64 GLU H H 64 8.050 8.625 -0.575 1
1 472 . 11 1 1 A 64 64 GLU HA H 64 4.070 4.079 -0.009 1
1 477 . 11 1 1 A 64 64 GLU CA C 64 58.800 59.284 -0.484 1
1 478 . 11 1 1 A 64 64 GLU CB C 64 29.000 29.176 -0.176 1
1 480 . 11 1 1 A 64 64 GLU N N 64 121.300 118.930 2.370 1
1 481 . 11 1 1 A 65 65 LYS H H 65 7.180 7.985 -0.805 1
1 482 . 11 1 1 A 65 65 LYS HA H 65 4.310 4.281 0.029 1
1 491 . 11 1 1 A 65 65 LYS CA C 65 54.800 57.467 -2.667 1
1 492 . 11 1 1 A 65 65 LYS CB C 65 33.000 33.358 -0.358 1
1 496 . 11 1 1 A 65 65 LYS N N 65 115.600 118.064 -2.464 1
1 497 . 11 1 1 A 66 66 GLY H H 66 7.870 8.031 -0.161 1
1 498 . 11 1 1 A 66 66 GLY HA2 H 66 3.860 3.758 0.102 1
1 499 . 11 1 1 A 66 66 GLY HA3 H 66 3.980 3.921 0.059 1
1 500 . 11 1 1 A 66 66 GLY CA C 66 45.700 45.145 0.555 1
1 501 . 11 1 1 A 66 66 GLY N N 66 107.500 107.485 0.015 1
1 502 . 11 1 1 A 67 67 ALA H H 67 7.920 7.939 -0.019 1
1 503 . 11 1 1 A 67 67 ALA HA H 67 4.020 4.332 -0.312 1
1 507 . 11 1 1 A 67 67 ALA CA C 67 51.700 52.523 -0.823 1
1 508 . 11 1 1 A 67 67 ALA CB C 67 21.100 19.781 1.319 1
1 509 . 11 1 1 A 67 67 ALA N N 67 118.900 122.587 -3.687 1
1 510 . 11 1 1 A 68 68 ASP H H 68 8.790 9.017 -0.227 1
1 511 . 11 1 1 A 68 68 ASP HA H 68 5.070 4.851 0.219 1
1 514 . 11 1 1 A 68 68 ASP CA C 68 56.500 55.700 0.800 1
1 515 . 11 1 1 A 68 68 ASP CB C 68 44.900 42.454 2.446 1
1 516 . 11 1 1 A 68 68 ASP N N 68 116.500 121.615 -5.115 1
1 517 . 11 1 1 A 69 69 VAL H H 69 8.070 8.201 -0.131 1
1 518 . 11 1 1 A 69 69 VAL HA H 69 5.130 4.708 0.422 1
1 526 . 11 1 1 A 69 69 VAL CA C 69 60.300 61.069 -0.769 1
1 527 . 11 1 1 A 69 69 VAL CB C 69 37.400 34.274 3.126 1
1 530 . 11 1 1 A 69 69 VAL N N 69 118.400 117.436 0.964 1
1 531 . 11 1 1 A 70 70 VAL H H 70 8.720 9.122 -0.402 1
1 532 . 11 1 1 A 70 70 VAL HA H 70 4.550 4.995 -0.445 1
1 540 . 11 1 1 A 70 70 VAL CA C 70 59.800 59.383 0.417 1
1 541 . 11 1 1 A 70 70 VAL CB C 70 34.200 34.907 -0.707 1
1 544 . 11 1 1 A 70 70 VAL N N 70 127.300 121.736 5.564 1
1 545 . 11 1 1 A 71 71 VAL H H 71 8.890 8.857 0.033 1
1 546 . 11 1 1 A 71 71 VAL HA H 71 4.550 4.535 0.015 1
1 554 . 11 1 1 A 71 71 VAL CA C 71 60.800 60.396 0.404 1
1 555 . 11 1 1 A 71 71 VAL CB C 71 34.000 34.923 -0.923 1
1 558 . 11 1 1 A 71 71 VAL N N 71 126.700 122.462 4.238 1
1 559 . 11 1 1 A 72 72 LEU H H 72 8.800 8.757 0.043 1
1 560 . 11 1 1 A 72 72 LEU HA H 72 4.440 4.489 -0.049 1
1 570 . 11 1 1 A 72 72 LEU CA C 72 55.700 54.338 1.362 1
1 571 . 11 1 1 A 72 72 LEU CB C 72 41.500 40.998 0.502 1
1 575 . 11 1 1 A 72 72 LEU N N 72 127.400 127.525 -0.125 1
1 576 . 11 1 1 A 73 73 THR H H 73 8.630 8.503 0.127 1
1 577 . 11 1 1 A 73 73 THR HA H 73 4.430 4.301 0.129 1
1 582 . 11 1 1 A 73 73 THR CA C 73 61.500 62.490 -0.990 1
1 583 . 11 1 1 A 73 73 THR CB C 73 69.400 69.292 0.108 1
1 585 . 11 1 1 A 73 73 THR N N 73 114.000 116.085 -2.085 1
1 586 . 11 1 1 A 74 74 SER H H 74 8.130 7.393 0.737 1
1 587 . 11 1 1 A 74 74 SER HA H 74 4.540 4.312 0.228 1
1 590 . 11 1 1 A 74 74 SER CA C 74 58.000 58.849 -0.849 1
1 591 . 11 1 1 A 74 74 SER CB C 74 63.800 63.654 0.146 1
1 592 . 11 1 1 A 74 74 SER N N 74 116.000 119.449 -3.449 1
1 593 . 11 1 1 A 75 75 GLY H H 75 8.570 8.798 -0.228 1
1 594 . 11 1 1 A 75 75 GLY HA2 H 75 4.040 3.840 0.200 1
1 595 . 11 1 1 A 75 75 GLY HA3 H 75 4.040 3.847 0.193 1
1 596 . 11 1 1 A 75 75 GLY CA C 75 45.100 45.947 -0.847 1
1 597 . 11 1 1 A 75 75 GLY N N 75 109.800 110.433 -0.633 1
1 598 . 11 1 1 A 76 76 GLN H H 76 8.390 7.825 0.565 1
1 599 . 11 1 1 A 76 76 GLN HA H 76 4.490 4.147 0.343 1
1 606 . 11 1 1 A 76 76 GLN CA C 76 55.900 56.578 -0.678 1
1 607 . 11 1 1 A 76 76 GLN CB C 76 29.600 27.544 2.056 1
1 609 . 11 1 1 A 76 76 GLN N N 76 119.200 114.643 4.557 1
1 611 . 11 1 1 A 77 77 THR H H 77 8.100 8.350 -0.250 1
1 612 . 11 1 1 A 77 77 THR HA H 77 4.420 4.457 -0.037 1
1 617 . 11 1 1 A 77 77 THR CA C 77 61.300 62.625 -1.325 1
1 618 . 11 1 1 A 77 77 THR CB C 77 69.700 68.959 0.741 1
1 620 . 11 1 1 A 77 77 THR N N 77 113.000 116.698 -3.698 1
1 621 . 11 1 1 A 78 78 GLU H H 78 8.450 7.689 0.761 1
1 622 . 11 1 1 A 78 78 GLU HA H 78 4.250 4.581 -0.331 1
1 627 . 11 1 1 A 78 78 GLU CA C 78 56.900 57.801 -0.901 1
1 628 . 11 1 1 A 78 78 GLU CB C 78 29.500 31.102 -1.602 1
1 630 . 11 1 1 A 78 78 GLU N N 78 120.700 119.323 1.377 1
1 631 . 11 1 1 A 79 79 ASN H H 79 8.320 8.432 -0.112 1
1 632 . 11 1 1 A 79 79 ASN HA H 79 4.600 5.133 -0.533 1
1 637 . 11 1 1 A 79 79 ASN CA C 79 53.700 54.764 -1.064 1
1 638 . 11 1 1 A 79 79 ASN CB C 79 38.600 39.468 -0.868 1
1 639 . 11 1 1 A 79 79 ASN N N 79 117.000 118.419 -1.419 1
1 641 . 11 1 1 A 80 80 LYS H H 80 7.910 8.096 -0.186 1
1 642 . 11 1 1 A 80 80 LYS HA H 80 4.300 4.311 -0.011 1
1 651 . 11 1 1 A 80 80 LYS CA C 80 56.000 56.336 -0.336 1
1 652 . 11 1 1 A 80 80 LYS CB C 80 33.300 31.882 1.418 1
1 656 . 11 1 1 A 80 80 LYS N N 80 118.800 114.966 3.834 1
1 657 . 11 1 1 A 81 81 ILE H H 81 8.340 7.682 0.658 1
1 658 . 11 1 1 A 81 81 ILE HA H 81 4.300 4.539 -0.239 1
1 668 . 11 1 1 A 81 81 ILE CA C 81 60.500 60.547 -0.047 1
1 669 . 11 1 1 A 81 81 ILE CB C 81 39.800 38.834 0.966 1
1 673 . 11 1 1 A 81 81 ILE N N 81 119.600 117.503 2.097 1
1 674 . 11 1 1 A 82 82 HIS H H 82 8.470 8.894 -0.424 1
1 675 . 11 1 1 A 82 82 HIS HA H 82 4.780 4.894 -0.114 1
1 680 . 11 1 1 A 82 82 HIS CA C 82 54.700 54.592 0.108 1
1 681 . 11 1 1 A 82 82 HIS CB C 82 28.900 30.165 -1.265 1
1 684 . 11 1 1 A 82 82 HIS N N 82 121.600 126.288 -4.688 1
1 685 . 11 1 1 A 83 83 GLY H H 83 8.340 8.019 0.321 1
1 686 . 11 1 1 A 83 83 GLY HA2 H 83 3.690 3.859 -0.169 1
1 687 . 11 1 1 A 83 83 GLY HA3 H 83 4.190 3.872 0.318 1
1 688 . 11 1 1 A 83 83 GLY CA C 83 45.000 45.692 -0.692 1
1 689 . 11 1 1 A 83 83 GLY N N 83 111.600 109.042 2.558 1
1 690 . 11 1 1 A 84 84 THR H H 84 8.120 8.534 -0.414 1
1 691 . 11 1 1 A 84 84 THR HA H 84 5.030 5.162 -0.132 1
1 696 . 11 1 1 A 84 84 THR CA C 84 60.100 59.809 0.291 1
1 697 . 11 1 1 A 84 84 THR CB C 84 72.000 71.468 0.532 1
1 699 . 11 1 1 A 84 84 THR N N 84 112.300 113.353 -1.053 1
1 700 . 11 1 1 A 85 85 ALA H H 85 8.840 8.982 -0.142 1
1 701 . 11 1 1 A 85 85 ALA HA H 85 4.950 5.257 -0.307 1
1 705 . 11 1 1 A 85 85 ALA CA C 85 51.200 50.895 0.305 1
1 706 . 11 1 1 A 85 85 ALA CB C 85 23.800 22.668 1.132 1
1 707 . 11 1 1 A 85 85 ALA N N 85 122.500 122.312 0.188 1
1 708 . 11 1 1 A 86 86 ASP H H 86 8.510 9.248 -0.738 1
1 709 . 11 1 1 A 86 86 ASP HA H 86 5.200 5.329 -0.129 1
1 712 . 11 1 1 A 86 86 ASP CA C 86 53.400 52.798 0.602 1
1 713 . 11 1 1 A 86 86 ASP CB C 86 43.100 44.182 -1.082 1
1 714 . 11 1 1 A 86 86 ASP N N 86 121.400 122.978 -1.578 1
1 715 . 11 1 1 A 87 87 ILE H H 87 7.970 8.442 -0.472 1
1 716 . 11 1 1 A 87 87 ILE HA H 87 5.370 5.361 0.009 1
1 726 . 11 1 1 A 87 87 ILE CA C 87 58.200 59.299 -1.099 1
1 727 . 11 1 1 A 87 87 ILE CB C 87 41.200 41.003 0.197 1
1 731 . 11 1 1 A 87 87 ILE N N 87 111.200 120.493 -9.293 1
1 732 . 11 1 1 A 88 88 TYR H H 88 8.750 9.696 -0.946 1
1 733 . 11 1 1 A 88 88 TYR HA H 88 5.440 5.311 0.129 1
1 740 . 11 1 1 A 88 88 TYR CA C 88 56.900 56.366 0.534 1
1 741 . 11 1 1 A 88 88 TYR CB C 88 44.000 43.554 0.446 1
1 744 . 11 1 1 A 88 88 TYR N N 88 118.000 121.432 -3.432 1
1 745 . 11 1 1 A 89 89 LYS H H 89 9.590 9.216 0.374 1
1 746 . 11 1 1 A 89 89 LYS HA H 89 5.170 4.940 0.230 1
1 755 . 11 1 1 A 89 89 LYS CA C 89 54.400 54.307 0.093 1
1 756 . 11 1 1 A 89 89 LYS CB C 89 36.800 35.193 1.607 1
1 760 . 11 1 1 A 89 89 LYS N N 89 123.500 121.021 2.479 1
1 761 . 11 1 1 A 90 90 LYS H H 90 10.190 8.256 1.934 1
1 762 . 11 1 1 A 90 90 LYS HA H 90 3.810 3.508 0.302 1
1 771 . 11 1 1 A 90 90 LYS CA C 90 57.500 56.154 1.346 1
1 772 . 11 1 1 A 90 90 LYS CB C 90 32.700 32.843 -0.143 1
1 776 . 11 1 1 A 90 90 LYS N N 90 129.200 121.665 7.535 1
1 777 . 11 1 1 A 91 91 LYS H H 91 8.450 8.470 -0.020 1
1 778 . 11 1 1 A 91 91 LYS HA H 91 4.100 4.599 -0.499 1
1 787 . 11 1 1 A 91 91 LYS CA C 91 57.300 54.919 2.381 1
1 788 . 11 1 1 A 91 91 LYS CB C 91 33.100 34.634 -1.534 1
1 792 . 11 1 1 A 91 91 LYS N N 91 125.900 121.870 4.030 1
1 793 . 11 1 1 A 92 92 LEU H H 92 8.270 8.367 -0.097 1
1 794 . 11 1 1 A 92 92 LEU HA H 92 4.280 4.459 -0.179 1
1 804 . 11 1 1 A 92 92 LEU CA C 92 54.600 55.321 -0.721 1
1 805 . 11 1 1 A 92 92 LEU CB C 92 42.100 43.044 -0.944 1
1 809 . 11 1 1 A 92 92 LEU N N 92 123.200 120.864 2.336 1
1 810 . 11 1 1 A 93 93 GLU H H 93 8.310 7.632 0.678 1
1 811 . 11 1 1 A 93 93 GLU HA H 93 4.220 4.440 -0.220 1
1 816 . 11 1 1 A 93 93 GLU CA C 93 55.700 55.297 0.403 1
1 817 . 11 1 1 A 93 93 GLU CB C 93 30.200 29.966 0.234 1
1 819 . 11 1 1 A 93 93 GLU N N 93 122.000 120.727 1.273 1
1 820 . 11 1 1 A 94 94 HIS H H 94 8.570 8.021 0.549 1
1 821 . 11 1 1 A 94 94 HIS HA H 94 4.630 5.652 -1.022 1
1 826 . 11 1 1 A 94 94 HIS CA C 94 55.000 53.655 1.345 1
1 827 . 11 1 1 A 94 94 HIS CB C 94 28.900 32.542 -3.642 1
1 830 . 11 1 1 A 94 94 HIS N N 94 119.700 121.305 -1.605 1
1 831 . 11 1 1 A 95 95 HIS H H 95 8.610 9.327 -0.717 1
1 832 . 11 1 1 A 95 95 HIS HA H 95 4.650 4.381 0.269 1
1 837 . 11 1 1 A 95 95 HIS CA C 95 55.200 57.790 -2.590 1
1 838 . 11 1 1 A 95 95 HIS CB C 95 28.900 30.604 -1.704 1
1 841 . 11 1 1 A 95 95 HIS N N 95 119.300 120.784 -1.484 1
1 842 . 11 1 1 A 96 96 HIS H H 96 8.680 7.688 0.992 1
1 843 . 11 1 1 A 96 96 HIS HA H 96 4.660 4.473 0.187 1
1 848 . 11 1 1 A 96 96 HIS CA C 96 55.200 56.398 -1.198 1
1 849 . 11 1 1 A 96 96 HIS CB C 96 29.100 29.881 -0.781 1
1 852 . 11 1 1 A 96 96 HIS N N 96 120.100 116.681 3.419 1
1 853 . 11 1 1 A 97 97 HIS H H 97 8.580 8.978 -0.398 1
1 854 . 11 1 1 A 97 97 HIS HA H 97 4.660 4.692 -0.032 1
1 859 . 11 1 1 A 97 97 HIS CA C 97 55.400 57.590 -2.190 1
1 860 . 11 1 1 A 97 97 HIS CB C 97 29.200 31.916 -2.716 1
1 863 . 11 1 1 A 97 97 HIS N N 97 120.400 124.426 -4.026 1
1 864 . 11 1 1 A 98 98 HIS H H 98 8.390 7.896 0.494 1
1 865 . 11 1 1 A 98 98 HIS HA H 98 4.620 4.841 -0.221 1
1 870 . 11 1 1 A 98 98 HIS CA C 98 55.500 54.075 1.425 1
1 871 . 11 1 1 A 98 98 HIS CB C 98 29.100 32.112 -3.012 1
1 1 . 12 1 1 A 22 22 ALA HA H 22 4.130 5.014 -0.884 1
1 5 . 12 1 1 A 22 22 ALA CA C 22 50.900 52.757 -1.857 1
1 6 . 12 1 1 A 22 22 ALA CB C 22 20.200 18.643 1.557 1
1 7 . 12 1 1 A 23 23 GLU H H 23 7.920 8.310 -0.390 1
1 8 . 12 1 1 A 23 23 GLU HA H 23 4.710 4.842 -0.132 1
1 13 . 12 1 1 A 23 23 GLU CA C 23 54.300 54.738 -0.438 1
1 14 . 12 1 1 A 23 23 GLU CB C 23 32.500 33.594 -1.094 1
1 16 . 12 1 1 A 23 23 GLU N N 23 117.600 122.482 -4.882 1
1 17 . 12 1 1 A 24 24 ILE H H 24 8.870 8.411 0.459 1
1 18 . 12 1 1 A 24 24 ILE HA H 24 4.870 4.777 0.093 1
1 28 . 12 1 1 A 24 24 ILE CA C 24 60.200 60.562 -0.362 1
1 29 . 12 1 1 A 24 24 ILE CB C 24 38.100 37.868 0.232 1
1 33 . 12 1 1 A 24 24 ILE N N 24 123.800 125.624 -1.824 1
1 34 . 12 1 1 A 25 25 MET H H 25 8.720 8.819 -0.099 1
1 35 . 12 1 1 A 25 25 MET HA H 25 4.760 5.196 -0.436 1
1 40 . 12 1 1 A 25 25 MET CA C 25 54.300 53.850 0.450 1
1 41 . 12 1 1 A 25 25 MET CB C 25 37.100 36.723 0.377 1
1 43 . 12 1 1 A 25 25 MET N N 25 127.100 125.302 1.798 1
1 44 . 12 1 1 A 26 26 LYS H H 26 9.190 8.171 1.019 1
1 45 . 12 1 1 A 26 26 LYS HA H 26 4.320 4.561 -0.241 1
1 54 . 12 1 1 A 26 26 LYS CA C 26 56.600 55.234 1.366 1
1 55 . 12 1 1 A 26 26 LYS CB C 26 32.900 33.620 -0.720 1
1 59 . 12 1 1 A 26 26 LYS N N 26 123.500 120.120 3.380 1
1 60 . 12 1 1 A 27 27 LYS H H 27 8.870 8.759 0.111 1
1 61 . 12 1 1 A 27 27 LYS HA H 27 3.860 4.399 -0.539 1
1 70 . 12 1 1 A 27 27 LYS CA C 27 60.500 58.050 2.450 1
1 71 . 12 1 1 A 27 27 LYS CB C 27 32.400 33.110 -0.710 1
1 75 . 12 1 1 A 27 27 LYS N N 27 126.200 123.552 2.648 1
1 76 . 12 1 1 A 28 28 THR H H 28 8.110 8.218 -0.108 1
1 77 . 12 1 1 A 28 28 THR HA H 28 4.130 3.966 0.164 1
1 82 . 12 1 1 A 28 28 THR CA C 28 64.600 67.437 -2.837 1
1 83 . 12 1 1 A 28 28 THR CB C 28 68.000 68.378 -0.378 1
1 85 . 12 1 1 A 28 28 THR N N 28 107.100 117.639 -10.539 1
1 86 . 12 1 1 A 29 29 ASP H H 29 6.770 8.600 -1.830 1
1 87 . 12 1 1 A 29 29 ASP HA H 29 4.580 4.356 0.224 1
1 90 . 12 1 1 A 29 29 ASP CA C 29 56.600 56.700 -0.100 1
1 91 . 12 1 1 A 29 29 ASP CB C 29 40.600 39.818 0.782 1
1 92 . 12 1 1 A 29 29 ASP N N 29 119.500 120.193 -0.693 1
1 93 . 12 1 1 A 30 30 PHE H H 30 8.630 8.319 0.311 1
1 94 . 12 1 1 A 30 30 PHE HA H 30 3.930 4.114 -0.184 1
1 102 . 12 1 1 A 30 30 PHE CA C 30 60.800 60.806 -0.006 1
1 103 . 12 1 1 A 30 30 PHE CB C 30 38.900 39.225 -0.325 1
1 107 . 12 1 1 A 30 30 PHE N N 30 123.300 121.607 1.693 1
1 108 . 12 1 1 A 31 31 ASP H H 31 8.650 8.411 0.239 1
1 109 . 12 1 1 A 31 31 ASP HA H 31 4.150 4.161 -0.011 1
1 112 . 12 1 1 A 31 31 ASP CA C 31 57.000 57.436 -0.436 1
1 113 . 12 1 1 A 31 31 ASP CB C 31 39.800 41.310 -1.510 1
1 114 . 12 1 1 A 31 31 ASP N N 31 117.000 118.586 -1.586 1
1 115 . 12 1 1 A 32 32 LYS H H 32 6.930 7.528 -0.598 1
1 116 . 12 1 1 A 32 32 LYS HA H 32 4.110 4.100 0.010 1
1 125 . 12 1 1 A 32 32 LYS CA C 32 58.300 58.501 -0.201 1
1 126 . 12 1 1 A 32 32 LYS CB C 32 33.100 32.356 0.744 1
1 130 . 12 1 1 A 32 32 LYS N N 32 114.800 118.446 -3.646 1
1 131 . 12 1 1 A 33 33 VAL H H 33 7.400 8.038 -0.638 1
1 132 . 12 1 1 A 33 33 VAL HA H 33 4.620 3.762 0.858 1
1 140 . 12 1 1 A 33 33 VAL CA C 33 60.100 62.708 -2.608 1
1 141 . 12 1 1 A 33 33 VAL CB C 33 32.300 31.575 0.725 1
1 144 . 12 1 1 A 33 33 VAL N N 33 109.100 115.962 -6.862 1
1 145 . 12 1 1 A 34 34 ALA H H 34 6.710 7.786 -1.076 1
1 146 . 12 1 1 A 34 34 ALA HA H 34 3.010 3.887 -0.877 1
1 150 . 12 1 1 A 34 34 ALA CA C 34 55.100 54.607 0.493 1
1 151 . 12 1 1 A 34 34 ALA CB C 34 19.200 18.002 1.198 1
1 152 . 12 1 1 A 34 34 ALA N N 34 124.300 125.282 -0.982 1
1 153 . 12 1 1 A 35 35 SER H H 35 8.120 7.906 0.214 1
1 154 . 12 1 1 A 35 35 SER HA H 35 4.320 4.050 0.270 1
1 157 . 12 1 1 A 35 35 SER CA C 35 60.400 61.200 -0.800 1
1 158 . 12 1 1 A 35 35 SER CB C 35 62.400 62.875 -0.475 1
1 159 . 12 1 1 A 35 35 SER N N 35 110.400 113.052 -2.652 1
1 160 . 12 1 1 A 36 36 GLU H H 36 8.300 7.488 0.812 1
1 161 . 12 1 1 A 36 36 GLU HA H 36 4.270 4.249 0.021 1
1 166 . 12 1 1 A 36 36 GLU CA C 36 55.700 56.757 -1.057 1
1 167 . 12 1 1 A 36 36 GLU CB C 36 28.900 29.615 -0.715 1
1 169 . 12 1 1 A 36 36 GLU N N 36 119.200 117.620 1.580 1
1 170 . 12 1 1 A 37 37 TYR H H 37 7.920 7.418 0.502 1
1 171 . 12 1 1 A 37 37 TYR HA H 37 5.150 5.143 0.007 1
1 178 . 12 1 1 A 37 37 TYR CA C 37 57.900 56.281 1.619 1
1 179 . 12 1 1 A 37 37 TYR CB C 37 44.100 43.208 0.892 1
1 182 . 12 1 1 A 37 37 TYR N N 37 117.200 119.136 -1.936 1
1 183 . 12 1 1 A 38 38 THR H H 38 9.480 9.122 0.358 1
1 184 . 12 1 1 A 38 38 THR HA H 38 4.840 4.902 -0.062 1
1 189 . 12 1 1 A 38 38 THR CA C 38 60.400 60.875 -0.475 1
1 190 . 12 1 1 A 38 38 THR CB C 38 71.200 72.934 -1.734 1
1 192 . 12 1 1 A 38 38 THR N N 38 115.400 115.541 -0.141 1
1 193 . 12 1 1 A 39 39 LYS H H 39 9.290 8.679 0.611 1
1 194 . 12 1 1 A 39 39 LYS HA H 39 3.880 4.371 -0.491 1
1 203 . 12 1 1 A 39 39 LYS CA C 39 57.500 54.167 3.333 1
1 204 . 12 1 1 A 39 39 LYS CB C 39 32.300 34.487 -2.187 1
1 208 . 12 1 1 A 39 39 LYS N N 39 130.400 123.916 6.484 1
1 209 . 12 1 1 A 40 40 ILE H H 40 8.820 8.658 0.162 1
1 210 . 12 1 1 A 40 40 ILE HA H 40 4.550 4.205 0.345 1
1 220 . 12 1 1 A 40 40 ILE CA C 40 60.900 61.889 -0.989 1
1 221 . 12 1 1 A 40 40 ILE CB C 40 39.200 38.509 0.691 1
1 225 . 12 1 1 A 40 40 ILE N N 40 121.900 122.462 -0.562 1
1 226 . 12 1 1 A 41 41 GLY H H 41 7.130 7.244 -0.114 1
1 227 . 12 1 1 A 41 41 GLY HA2 H 41 3.950 4.025 -0.075 1
1 228 . 12 1 1 A 41 41 GLY HA3 H 41 4.260 4.032 0.228 1
1 229 . 12 1 1 A 41 41 GLY CA C 41 45.100 45.159 -0.059 1
1 230 . 12 1 1 A 41 41 GLY N N 41 107.400 109.099 -1.699 1
1 231 . 12 1 1 A 42 42 THR H H 42 8.210 8.376 -0.166 1
1 232 . 12 1 1 A 42 42 THR HA H 42 5.230 5.028 0.202 1
1 237 . 12 1 1 A 42 42 THR CA C 42 60.900 61.410 -0.510 1
1 238 . 12 1 1 A 42 42 THR CB C 42 72.300 71.107 1.193 1
1 240 . 12 1 1 A 42 42 THR N N 42 115.100 115.629 -0.529 1
1 241 . 12 1 1 A 43 43 ILE H H 43 9.130 8.823 0.307 1
1 242 . 12 1 1 A 43 43 ILE HA H 43 4.790 5.223 -0.433 1
1 252 . 12 1 1 A 43 43 ILE CA C 43 59.400 58.945 0.455 1
1 253 . 12 1 1 A 43 43 ILE CB C 43 42.600 42.259 0.341 1
1 257 . 12 1 1 A 43 43 ILE N N 43 118.000 120.141 -2.141 1
1 258 . 12 1 1 A 44 44 SER H H 44 8.330 8.597 -0.267 1
1 259 . 12 1 1 A 44 44 SER HA H 44 5.250 5.185 0.065 1
1 262 . 12 1 1 A 44 44 SER CA C 44 56.700 57.067 -0.367 1
1 263 . 12 1 1 A 44 44 SER CB C 44 66.000 66.752 -0.752 1
1 264 . 12 1 1 A 44 44 SER N N 44 113.300 116.205 -2.905 1
1 265 . 12 1 1 A 45 45 THR H H 45 8.380 8.652 -0.272 1
1 266 . 12 1 1 A 45 45 THR HA H 45 4.550 5.275 -0.725 1
1 271 . 12 1 1 A 45 45 THR CA C 45 60.900 59.754 1.146 1
1 272 . 12 1 1 A 45 45 THR CB C 45 70.000 71.347 -1.347 1
1 274 . 12 1 1 A 45 45 THR N N 45 113.300 110.917 2.383 1
1 275 . 12 1 1 A 46 46 THR H H 46 8.540 8.639 -0.099 1
1 276 . 12 1 1 A 46 46 THR HA H 46 4.400 5.206 -0.806 1
1 281 . 12 1 1 A 46 46 THR CA C 46 62.000 60.963 1.037 1
1 282 . 12 1 1 A 46 46 THR CB C 46 69.300 71.357 -2.057 1
1 284 . 12 1 1 A 46 46 THR N N 46 117.700 117.969 -0.269 1
1 285 . 12 1 1 A 47 47 GLY H H 47 8.320 7.913 0.407 1
1 286 . 12 1 1 A 47 47 GLY HA2 H 47 3.890 4.248 -0.358 1
1 287 . 12 1 1 A 47 47 GLY HA3 H 47 3.980 4.253 -0.273 1
1 288 . 12 1 1 A 47 47 GLY CA C 47 44.800 45.801 -1.001 1
1 289 . 12 1 1 A 47 47 GLY N N 47 111.700 111.574 0.126 1
1 290 . 12 1 1 A 48 48 GLU H H 48 8.430 8.808 -0.378 1
1 291 . 12 1 1 A 48 48 GLU HA H 48 4.390 5.079 -0.689 1
1 296 . 12 1 1 A 48 48 GLU CA C 48 55.600 55.824 -0.224 1
1 297 . 12 1 1 A 48 48 GLU CB C 48 29.400 30.602 -1.202 1
1 299 . 12 1 1 A 48 48 GLU N N 48 120.100 119.746 0.354 1
1 300 . 12 1 1 A 49 49 MET H H 49 8.390 8.696 -0.306 1
1 301 . 12 1 1 A 49 49 MET HA H 49 4.700 5.115 -0.415 1
1 306 . 12 1 1 A 49 49 MET CA C 49 55.000 53.967 1.033 1
1 307 . 12 1 1 A 49 49 MET CB C 49 35.900 37.702 -1.802 1
1 309 . 12 1 1 A 49 49 MET N N 49 120.000 124.437 -4.437 1
1 310 . 12 1 1 A 50 50 SER H H 50 9.020 8.562 0.458 1
1 311 . 12 1 1 A 50 50 SER HA H 50 4.780 4.578 0.202 1
1 314 . 12 1 1 A 50 50 SER CA C 50 57.700 57.309 0.391 1
1 315 . 12 1 1 A 50 50 SER CB C 50 62.600 62.363 0.237 1
1 316 . 12 1 1 A 50 50 SER N N 50 117.900 117.135 0.765 1
1 317 . 12 1 1 A 51 51 PRO HA H 51 4.240 4.284 -0.044 1
1 324 . 12 1 1 A 51 51 PRO CA C 51 66.000 65.906 0.094 1
1 325 . 12 1 1 A 51 51 PRO CB C 51 31.800 31.789 0.011 1
1 328 . 12 1 1 A 52 52 LEU H H 52 8.160 7.587 0.573 1
1 329 . 12 1 1 A 52 52 LEU HA H 52 4.110 3.998 0.112 1
1 339 . 12 1 1 A 52 52 LEU CA C 52 57.900 57.529 0.371 1
1 340 . 12 1 1 A 52 52 LEU CB C 52 41.400 41.216 0.184 1
1 344 . 12 1 1 A 52 52 LEU N N 52 117.600 116.557 1.043 1
1 345 . 12 1 1 A 53 53 ASP H H 53 7.510 8.256 -0.746 1
1 346 . 12 1 1 A 53 53 ASP HA H 53 4.420 4.451 -0.031 1
1 349 . 12 1 1 A 53 53 ASP CA C 53 56.600 58.266 -1.666 1
1 350 . 12 1 1 A 53 53 ASP CB C 53 39.800 41.388 -1.588 1
1 351 . 12 1 1 A 53 53 ASP N N 53 119.900 120.250 -0.350 1
1 352 . 12 1 1 A 54 54 ALA H H 54 8.800 8.392 0.408 1
1 353 . 12 1 1 A 54 54 ALA HA H 54 4.210 4.048 0.162 1
1 357 . 12 1 1 A 54 54 ALA CA C 54 54.700 55.126 -0.426 1
1 358 . 12 1 1 A 54 54 ALA CB C 54 18.200 18.523 -0.323 1
1 359 . 12 1 1 A 54 54 ALA N N 54 123.400 121.380 2.020 1
1 360 . 12 1 1 A 55 55 ARG H H 55 7.860 8.052 -0.192 1
1 361 . 12 1 1 A 55 55 ARG HA H 55 3.730 3.966 -0.236 1
1 368 . 12 1 1 A 55 55 ARG CA C 55 60.200 59.854 0.346 1
1 369 . 12 1 1 A 55 55 ARG CB C 55 30.100 30.082 0.018 1
1 372 . 12 1 1 A 55 55 ARG N N 55 117.100 117.610 -0.510 1
1 373 . 12 1 1 A 56 56 GLU H H 56 7.630 8.362 -0.732 1
1 374 . 12 1 1 A 56 56 GLU HA H 56 4.000 4.119 -0.119 1
1 379 . 12 1 1 A 56 56 GLU CA C 56 58.800 59.095 -0.295 1
1 380 . 12 1 1 A 56 56 GLU CB C 56 28.300 28.726 -0.426 1
1 382 . 12 1 1 A 56 56 GLU N N 56 115.900 119.458 -3.558 1
1 383 . 12 1 1 A 57 57 ASP H H 57 8.120 8.473 -0.353 1
1 384 . 12 1 1 A 57 57 ASP HA H 57 4.380 4.361 0.019 1
1 387 . 12 1 1 A 57 57 ASP CA C 57 57.400 57.720 -0.320 1
1 388 . 12 1 1 A 57 57 ASP CB C 57 42.500 41.342 1.158 1
1 389 . 12 1 1 A 57 57 ASP N N 57 120.200 119.842 0.358 1
1 390 . 12 1 1 A 58 58 LEU H H 58 8.160 8.129 0.031 1
1 391 . 12 1 1 A 58 58 LEU HA H 58 3.860 3.996 -0.136 1
1 401 . 12 1 1 A 58 58 LEU CA C 58 57.500 58.051 -0.551 1
1 402 . 12 1 1 A 58 58 LEU CB C 58 41.400 42.059 -0.659 1
1 406 . 12 1 1 A 58 58 LEU N N 58 117.300 119.756 -2.456 1
1 407 . 12 1 1 A 59 59 ILE H H 59 8.020 8.668 -0.648 1
1 408 . 12 1 1 A 59 59 ILE HA H 59 3.300 3.464 -0.164 1
1 418 . 12 1 1 A 59 59 ILE CA C 59 65.700 65.818 -0.118 1
1 419 . 12 1 1 A 59 59 ILE CB C 59 37.500 37.885 -0.385 1
1 423 . 12 1 1 A 59 59 ILE N N 59 118.600 119.534 -0.934 1
1 424 . 12 1 1 A 60 60 LYS H H 60 7.890 8.374 -0.484 1
1 425 . 12 1 1 A 60 60 LYS HA H 60 4.090 4.029 0.061 1
1 434 . 12 1 1 A 60 60 LYS CA C 60 59.800 58.891 0.909 1
1 435 . 12 1 1 A 60 60 LYS CB C 60 31.900 31.823 0.077 1
1 439 . 12 1 1 A 60 60 LYS N N 60 119.400 120.522 -1.122 1
1 440 . 12 1 1 A 61 61 LYS H H 61 8.080 7.880 0.200 1
1 441 . 12 1 1 A 61 61 LYS HA H 61 3.980 4.073 -0.093 1
1 450 . 12 1 1 A 61 61 LYS CA C 61 59.200 58.941 0.259 1
1 451 . 12 1 1 A 61 61 LYS CB C 61 33.500 32.285 1.215 1
1 455 . 12 1 1 A 61 61 LYS N N 61 119.200 119.971 -0.771 1
1 456 . 12 1 1 A 62 62 ALA H H 62 8.490 8.389 0.101 1
1 457 . 12 1 1 A 62 62 ALA HA H 62 3.770 4.073 -0.303 1
1 461 . 12 1 1 A 62 62 ALA CA C 62 54.900 54.948 -0.048 1
1 462 . 12 1 1 A 62 62 ALA CB C 62 19.100 18.617 0.483 1
1 463 . 12 1 1 A 62 62 ALA N N 62 122.200 121.802 0.398 1
1 464 . 12 1 1 A 63 63 ASP H H 63 8.850 8.083 0.767 1
1 465 . 12 1 1 A 63 63 ASP HA H 63 4.590 4.327 0.263 1
1 468 . 12 1 1 A 63 63 ASP CA C 63 56.900 57.267 -0.367 1
1 469 . 12 1 1 A 63 63 ASP CB C 63 39.000 41.100 -2.100 1
1 470 . 12 1 1 A 63 63 ASP N N 63 120.200 118.125 2.075 1
1 471 . 12 1 1 A 64 64 GLU H H 64 8.050 8.391 -0.341 1
1 472 . 12 1 1 A 64 64 GLU HA H 64 4.070 4.086 -0.016 1
1 477 . 12 1 1 A 64 64 GLU CA C 64 58.800 59.145 -0.345 1
1 478 . 12 1 1 A 64 64 GLU CB C 64 29.000 29.397 -0.397 1
1 480 . 12 1 1 A 64 64 GLU N N 64 121.300 118.791 2.509 1
1 481 . 12 1 1 A 65 65 LYS H H 65 7.180 8.112 -0.932 1
1 482 . 12 1 1 A 65 65 LYS HA H 65 4.310 4.233 0.077 1
1 491 . 12 1 1 A 65 65 LYS CA C 65 54.800 57.248 -2.448 1
1 492 . 12 1 1 A 65 65 LYS CB C 65 33.000 33.360 -0.360 1
1 496 . 12 1 1 A 65 65 LYS N N 65 115.600 118.133 -2.533 1
1 497 . 12 1 1 A 66 66 GLY H H 66 7.870 8.231 -0.361 1
1 498 . 12 1 1 A 66 66 GLY HA2 H 66 3.860 4.019 -0.159 1
1 499 . 12 1 1 A 66 66 GLY HA3 H 66 3.980 4.019 -0.039 1
1 500 . 12 1 1 A 66 66 GLY CA C 66 45.700 46.002 -0.302 1
1 501 . 12 1 1 A 66 66 GLY N N 66 107.500 106.956 0.544 1
1 502 . 12 1 1 A 67 67 ALA H H 67 7.920 7.810 0.110 1
1 503 . 12 1 1 A 67 67 ALA HA H 67 4.020 4.589 -0.569 1
1 507 . 12 1 1 A 67 67 ALA CA C 67 51.700 50.530 1.170 1
1 508 . 12 1 1 A 67 67 ALA CB C 67 21.100 21.564 -0.464 1
1 509 . 12 1 1 A 67 67 ALA N N 67 118.900 122.759 -3.859 1
1 510 . 12 1 1 A 68 68 ASP H H 68 8.790 8.777 0.013 1
1 511 . 12 1 1 A 68 68 ASP HA H 68 5.070 4.797 0.273 1
1 514 . 12 1 1 A 68 68 ASP CA C 68 56.500 55.772 0.728 1
1 515 . 12 1 1 A 68 68 ASP CB C 68 44.900 43.024 1.876 1
1 516 . 12 1 1 A 68 68 ASP N N 68 116.500 119.635 -3.135 1
1 517 . 12 1 1 A 69 69 VAL H H 69 8.070 7.980 0.090 1
1 518 . 12 1 1 A 69 69 VAL HA H 69 5.130 4.679 0.451 1
1 526 . 12 1 1 A 69 69 VAL CA C 69 60.300 60.480 -0.180 1
1 527 . 12 1 1 A 69 69 VAL CB C 69 37.400 35.282 2.118 1
1 530 . 12 1 1 A 69 69 VAL N N 69 118.400 118.362 0.038 1
1 531 . 12 1 1 A 70 70 VAL H H 70 8.720 8.838 -0.118 1
1 532 . 12 1 1 A 70 70 VAL HA H 70 4.550 4.925 -0.375 1
1 540 . 12 1 1 A 70 70 VAL CA C 70 59.800 59.325 0.475 1
1 541 . 12 1 1 A 70 70 VAL CB C 70 34.200 35.003 -0.803 1
1 544 . 12 1 1 A 70 70 VAL N N 70 127.300 121.540 5.760 1
1 545 . 12 1 1 A 71 71 VAL H H 71 8.890 8.843 0.047 1
1 546 . 12 1 1 A 71 71 VAL HA H 71 4.550 4.455 0.095 1
1 554 . 12 1 1 A 71 71 VAL CA C 71 60.800 60.647 0.153 1
1 555 . 12 1 1 A 71 71 VAL CB C 71 34.000 34.155 -0.155 1
1 558 . 12 1 1 A 71 71 VAL N N 71 126.700 122.338 4.362 1
1 559 . 12 1 1 A 72 72 LEU H H 72 8.800 8.779 0.021 1
1 560 . 12 1 1 A 72 72 LEU HA H 72 4.440 4.481 -0.041 1
1 570 . 12 1 1 A 72 72 LEU CA C 72 55.700 54.323 1.377 1
1 571 . 12 1 1 A 72 72 LEU CB C 72 41.500 40.494 1.006 1
1 575 . 12 1 1 A 72 72 LEU N N 72 127.400 128.351 -0.951 1
1 576 . 12 1 1 A 73 73 THR H H 73 8.630 7.876 0.754 1
1 577 . 12 1 1 A 73 73 THR HA H 73 4.430 4.361 0.069 1
1 582 . 12 1 1 A 73 73 THR CA C 73 61.500 61.799 -0.299 1
1 583 . 12 1 1 A 73 73 THR CB C 73 69.400 69.195 0.205 1
1 585 . 12 1 1 A 73 73 THR N N 73 114.000 115.232 -1.232 1
1 586 . 12 1 1 A 74 74 SER H H 74 8.130 7.642 0.488 1
1 587 . 12 1 1 A 74 74 SER HA H 74 4.540 4.304 0.236 1
1 590 . 12 1 1 A 74 74 SER CA C 74 58.000 59.907 -1.907 1
1 591 . 12 1 1 A 74 74 SER CB C 74 63.800 63.775 0.025 1
1 592 . 12 1 1 A 74 74 SER N N 74 116.000 119.326 -3.326 1
1 593 . 12 1 1 A 75 75 GLY H H 75 8.570 8.613 -0.043 1
1 594 . 12 1 1 A 75 75 GLY HA2 H 75 4.040 3.960 0.080 1
1 595 . 12 1 1 A 75 75 GLY HA3 H 75 4.040 3.966 0.074 1
1 596 . 12 1 1 A 75 75 GLY CA C 75 45.100 46.265 -1.165 1
1 597 . 12 1 1 A 75 75 GLY N N 75 109.800 112.338 -2.538 1
1 598 . 12 1 1 A 76 76 GLN H H 76 8.390 8.345 0.045 1
1 599 . 12 1 1 A 76 76 GLN HA H 76 4.490 4.366 0.124 1
1 606 . 12 1 1 A 76 76 GLN CA C 76 55.900 54.659 1.241 1
1 607 . 12 1 1 A 76 76 GLN CB C 76 29.600 27.503 2.097 1
1 609 . 12 1 1 A 76 76 GLN N N 76 119.200 125.906 -6.706 1
1 611 . 12 1 1 A 77 77 THR H H 77 8.100 8.739 -0.639 1
1 612 . 12 1 1 A 77 77 THR HA H 77 4.420 4.264 0.156 1
1 617 . 12 1 1 A 77 77 THR CA C 77 61.300 63.495 -2.195 1
1 618 . 12 1 1 A 77 77 THR CB C 77 69.700 69.063 0.637 1
1 620 . 12 1 1 A 77 77 THR N N 77 113.000 118.446 -5.446 1
1 621 . 12 1 1 A 78 78 GLU H H 78 8.450 8.202 0.248 1
1 622 . 12 1 1 A 78 78 GLU HA H 78 4.250 4.235 0.015 1
1 627 . 12 1 1 A 78 78 GLU CA C 78 56.900 58.842 -1.942 1
1 628 . 12 1 1 A 78 78 GLU CB C 78 29.500 29.295 0.205 1
1 630 . 12 1 1 A 78 78 GLU N N 78 120.700 120.327 0.373 1
1 631 . 12 1 1 A 79 79 ASN H H 79 8.320 8.696 -0.376 1
1 632 . 12 1 1 A 79 79 ASN HA H 79 4.600 4.521 0.079 1
1 637 . 12 1 1 A 79 79 ASN CA C 79 53.700 56.023 -2.323 1
1 638 . 12 1 1 A 79 79 ASN CB C 79 38.600 38.987 -0.387 1
1 639 . 12 1 1 A 79 79 ASN N N 79 117.000 118.371 -1.371 1
1 641 . 12 1 1 A 80 80 LYS H H 80 7.910 8.058 -0.148 1
1 642 . 12 1 1 A 80 80 LYS HA H 80 4.300 4.435 -0.135 1
1 651 . 12 1 1 A 80 80 LYS CA C 80 56.000 55.751 0.249 1
1 652 . 12 1 1 A 80 80 LYS CB C 80 33.300 31.893 1.407 1
1 656 . 12 1 1 A 80 80 LYS N N 80 118.800 115.025 3.775 1
1 657 . 12 1 1 A 81 81 ILE H H 81 8.340 7.721 0.619 1
1 658 . 12 1 1 A 81 81 ILE HA H 81 4.300 4.137 0.163 1
1 668 . 12 1 1 A 81 81 ILE CA C 81 60.500 61.732 -1.232 1
1 669 . 12 1 1 A 81 81 ILE CB C 81 39.800 38.489 1.311 1
1 673 . 12 1 1 A 81 81 ILE N N 81 119.600 117.389 2.211 1
1 674 . 12 1 1 A 82 82 HIS H H 82 8.470 8.526 -0.056 1
1 675 . 12 1 1 A 82 82 HIS HA H 82 4.780 5.511 -0.731 1
1 680 . 12 1 1 A 82 82 HIS CA C 82 54.700 54.887 -0.187 1
1 681 . 12 1 1 A 82 82 HIS CB C 82 28.900 30.224 -1.324 1
1 684 . 12 1 1 A 82 82 HIS N N 82 121.600 126.080 -4.480 1
1 685 . 12 1 1 A 83 83 GLY H H 83 8.340 7.830 0.510 1
1 686 . 12 1 1 A 83 83 GLY HA2 H 83 3.690 3.975 -0.285 1
1 687 . 12 1 1 A 83 83 GLY HA3 H 83 4.190 4.004 0.186 1
1 688 . 12 1 1 A 83 83 GLY CA C 83 45.000 44.163 0.837 1
1 689 . 12 1 1 A 83 83 GLY N N 83 111.600 110.488 1.112 1
1 690 . 12 1 1 A 84 84 THR H H 84 8.120 8.557 -0.437 1
1 691 . 12 1 1 A 84 84 THR HA H 84 5.030 5.463 -0.433 1
1 696 . 12 1 1 A 84 84 THR CA C 84 60.100 59.490 0.610 1
1 697 . 12 1 1 A 84 84 THR CB C 84 72.000 71.655 0.345 1
1 699 . 12 1 1 A 84 84 THR N N 84 112.300 111.313 0.987 1
1 700 . 12 1 1 A 85 85 ALA H H 85 8.840 9.338 -0.498 1
1 701 . 12 1 1 A 85 85 ALA HA H 85 4.950 5.207 -0.257 1
1 705 . 12 1 1 A 85 85 ALA CA C 85 51.200 49.972 1.228 1
1 706 . 12 1 1 A 85 85 ALA CB C 85 23.800 22.044 1.756 1
1 707 . 12 1 1 A 85 85 ALA N N 85 122.500 124.517 -2.017 1
1 708 . 12 1 1 A 86 86 ASP H H 86 8.510 9.012 -0.502 1
1 709 . 12 1 1 A 86 86 ASP HA H 86 5.200 5.099 0.101 1
1 712 . 12 1 1 A 86 86 ASP CA C 86 53.400 53.212 0.188 1
1 713 . 12 1 1 A 86 86 ASP CB C 86 43.100 42.703 0.397 1
1 714 . 12 1 1 A 86 86 ASP N N 86 121.400 123.430 -2.030 1
1 715 . 12 1 1 A 87 87 ILE H H 87 7.970 9.029 -1.059 1
1 716 . 12 1 1 A 87 87 ILE HA H 87 5.370 5.326 0.044 1
1 726 . 12 1 1 A 87 87 ILE CA C 87 58.200 59.341 -1.141 1
1 727 . 12 1 1 A 87 87 ILE CB C 87 41.200 40.901 0.299 1
1 731 . 12 1 1 A 87 87 ILE N N 87 111.200 120.613 -9.413 1
1 732 . 12 1 1 A 88 88 TYR H H 88 8.750 9.612 -0.862 1
1 733 . 12 1 1 A 88 88 TYR HA H 88 5.440 5.268 0.172 1
1 740 . 12 1 1 A 88 88 TYR CA C 88 56.900 56.131 0.769 1
1 741 . 12 1 1 A 88 88 TYR CB C 88 44.000 43.418 0.582 1
1 744 . 12 1 1 A 88 88 TYR N N 88 118.000 121.610 -3.610 1
1 745 . 12 1 1 A 89 89 LYS H H 89 9.590 9.367 0.223 1
1 746 . 12 1 1 A 89 89 LYS HA H 89 5.170 4.972 0.198 1
1 755 . 12 1 1 A 89 89 LYS CA C 89 54.400 53.983 0.417 1
1 756 . 12 1 1 A 89 89 LYS CB C 89 36.800 36.024 0.776 1
1 760 . 12 1 1 A 89 89 LYS N N 89 123.500 122.715 0.785 1
1 761 . 12 1 1 A 90 90 LYS H H 90 10.190 8.182 2.008 1
1 762 . 12 1 1 A 90 90 LYS HA H 90 3.810 4.391 -0.581 1
1 771 . 12 1 1 A 90 90 LYS CA C 90 57.500 56.134 1.366 1
1 772 . 12 1 1 A 90 90 LYS CB C 90 32.700 32.977 -0.277 1
1 776 . 12 1 1 A 90 90 LYS N N 90 129.200 121.686 7.514 1
1 777 . 12 1 1 A 91 91 LYS H H 91 8.450 8.686 -0.236 1
1 778 . 12 1 1 A 91 91 LYS HA H 91 4.100 4.530 -0.430 1
1 787 . 12 1 1 A 91 91 LYS CA C 91 57.300 55.359 1.941 1
1 788 . 12 1 1 A 91 91 LYS CB C 91 33.100 33.917 -0.817 1
1 792 . 12 1 1 A 91 91 LYS N N 91 125.900 121.138 4.762 1
1 793 . 12 1 1 A 92 92 LEU H H 92 8.270 8.782 -0.512 1
1 794 . 12 1 1 A 92 92 LEU HA H 92 4.280 4.492 -0.212 1
1 804 . 12 1 1 A 92 92 LEU CA C 92 54.600 54.695 -0.095 1
1 805 . 12 1 1 A 92 92 LEU CB C 92 42.100 42.082 0.018 1
1 809 . 12 1 1 A 92 92 LEU N N 92 123.200 121.172 2.028 1
1 810 . 12 1 1 A 93 93 GLU H H 93 8.310 8.190 0.120 1
1 811 . 12 1 1 A 93 93 GLU HA H 93 4.220 4.280 -0.060 1
1 816 . 12 1 1 A 93 93 GLU CA C 93 55.700 57.054 -1.354 1
1 817 . 12 1 1 A 93 93 GLU CB C 93 30.200 29.535 0.665 1
1 819 . 12 1 1 A 93 93 GLU N N 93 122.000 119.246 2.754 1
1 820 . 12 1 1 A 94 94 HIS H H 94 8.570 8.595 -0.025 1
1 821 . 12 1 1 A 94 94 HIS HA H 94 4.630 4.028 0.602 1
1 826 . 12 1 1 A 94 94 HIS CA C 94 55.000 56.371 -1.371 1
1 827 . 12 1 1 A 94 94 HIS CB C 94 28.900 27.717 1.183 1
1 830 . 12 1 1 A 94 94 HIS N N 94 119.700 117.858 1.842 1
1 831 . 12 1 1 A 95 95 HIS H H 95 8.610 7.788 0.822 1
1 832 . 12 1 1 A 95 95 HIS HA H 95 4.650 4.799 -0.149 1
1 837 . 12 1 1 A 95 95 HIS CA C 95 55.200 54.419 0.781 1
1 838 . 12 1 1 A 95 95 HIS CB C 95 28.900 33.852 -4.952 1
1 841 . 12 1 1 A 95 95 HIS N N 95 119.300 115.857 3.443 1
1 842 . 12 1 1 A 96 96 HIS H H 96 8.680 8.683 -0.003 1
1 843 . 12 1 1 A 96 96 HIS HA H 96 4.660 4.915 -0.255 1
1 848 . 12 1 1 A 96 96 HIS CA C 96 55.200 54.687 0.513 1
1 849 . 12 1 1 A 96 96 HIS CB C 96 29.100 33.914 -4.814 1
1 852 . 12 1 1 A 96 96 HIS N N 96 120.100 118.842 1.258 1
1 853 . 12 1 1 A 97 97 HIS H H 97 8.580 9.314 -0.734 1
1 854 . 12 1 1 A 97 97 HIS HA H 97 4.660 4.290 0.370 1
1 859 . 12 1 1 A 97 97 HIS CA C 97 55.400 59.442 -4.042 1
1 860 . 12 1 1 A 97 97 HIS CB C 97 29.200 29.863 -0.663 1
1 863 . 12 1 1 A 97 97 HIS N N 97 120.400 121.236 -0.836 1
1 864 . 12 1 1 A 98 98 HIS H H 98 8.390 7.876 0.514 1
1 865 . 12 1 1 A 98 98 HIS HA H 98 4.620 4.227 0.393 1
1 870 . 12 1 1 A 98 98 HIS CA C 98 55.500 56.942 -1.442 1
1 871 . 12 1 1 A 98 98 HIS CB C 98 29.100 28.175 0.925 1
1 1 . 13 1 1 A 22 22 ALA HA H 22 4.130 4.356 -0.226 1
1 5 . 13 1 1 A 22 22 ALA CA C 22 50.900 53.114 -2.214 1
1 6 . 13 1 1 A 22 22 ALA CB C 22 20.200 18.504 1.696 1
1 7 . 13 1 1 A 23 23 GLU H H 23 7.920 8.551 -0.631 1
1 8 . 13 1 1 A 23 23 GLU HA H 23 4.710 4.672 0.038 1
1 13 . 13 1 1 A 23 23 GLU CA C 23 54.300 55.294 -0.994 1
1 14 . 13 1 1 A 23 23 GLU CB C 23 32.500 33.550 -1.050 1
1 16 . 13 1 1 A 23 23 GLU N N 23 117.600 122.468 -4.868 1
1 17 . 13 1 1 A 24 24 ILE H H 24 8.870 8.446 0.424 1
1 18 . 13 1 1 A 24 24 ILE HA H 24 4.870 4.539 0.331 1
1 28 . 13 1 1 A 24 24 ILE CA C 24 60.200 60.726 -0.526 1
1 29 . 13 1 1 A 24 24 ILE CB C 24 38.100 37.887 0.213 1
1 33 . 13 1 1 A 24 24 ILE N N 24 123.800 123.539 0.261 1
1 34 . 13 1 1 A 25 25 MET H H 25 8.720 8.623 0.097 1
1 35 . 13 1 1 A 25 25 MET HA H 25 4.760 5.116 -0.356 1
1 40 . 13 1 1 A 25 25 MET CA C 25 54.300 53.928 0.372 1
1 41 . 13 1 1 A 25 25 MET CB C 25 37.100 36.759 0.341 1
1 43 . 13 1 1 A 25 25 MET N N 25 127.100 123.715 3.385 1
1 44 . 13 1 1 A 26 26 LYS H H 26 9.190 8.778 0.412 1
1 45 . 13 1 1 A 26 26 LYS HA H 26 4.320 4.420 -0.100 1
1 54 . 13 1 1 A 26 26 LYS CA C 26 56.600 55.696 0.904 1
1 55 . 13 1 1 A 26 26 LYS CB C 26 32.900 33.332 -0.432 1
1 59 . 13 1 1 A 26 26 LYS N N 26 123.500 120.374 3.126 1
1 60 . 13 1 1 A 27 27 LYS H H 27 8.870 9.068 -0.198 1
1 61 . 13 1 1 A 27 27 LYS HA H 27 3.860 3.876 -0.016 1
1 70 . 13 1 1 A 27 27 LYS CA C 27 60.500 60.074 0.426 1
1 71 . 13 1 1 A 27 27 LYS CB C 27 32.400 32.401 -0.001 1
1 75 . 13 1 1 A 27 27 LYS N N 27 126.200 124.359 1.841 1
1 76 . 13 1 1 A 28 28 THR H H 28 8.110 8.118 -0.008 1
1 77 . 13 1 1 A 28 28 THR HA H 28 4.130 3.956 0.174 1
1 82 . 13 1 1 A 28 28 THR CA C 28 64.600 67.318 -2.718 1
1 83 . 13 1 1 A 28 28 THR CB C 28 68.000 68.270 -0.270 1
1 85 . 13 1 1 A 28 28 THR N N 28 107.100 116.240 -9.140 1
1 86 . 13 1 1 A 29 29 ASP H H 29 6.770 8.243 -1.473 1
1 87 . 13 1 1 A 29 29 ASP HA H 29 4.580 4.472 0.108 1
1 90 . 13 1 1 A 29 29 ASP CA C 29 56.600 57.251 -0.651 1
1 91 . 13 1 1 A 29 29 ASP CB C 29 40.600 40.312 0.288 1
1 92 . 13 1 1 A 29 29 ASP N N 29 119.500 121.728 -2.228 1
1 93 . 13 1 1 A 30 30 PHE H H 30 8.630 8.832 -0.202 1
1 94 . 13 1 1 A 30 30 PHE HA H 30 3.930 4.019 -0.089 1
1 102 . 13 1 1 A 30 30 PHE CA C 30 60.800 60.343 0.457 1
1 103 . 13 1 1 A 30 30 PHE CB C 30 38.900 38.941 -0.041 1
1 107 . 13 1 1 A 30 30 PHE N N 30 123.300 122.452 0.848 1
1 108 . 13 1 1 A 31 31 ASP H H 31 8.650 8.176 0.474 1
1 109 . 13 1 1 A 31 31 ASP HA H 31 4.150 4.009 0.141 1
1 112 . 13 1 1 A 31 31 ASP CA C 31 57.000 57.176 -0.176 1
1 113 . 13 1 1 A 31 31 ASP CB C 31 39.800 41.342 -1.542 1
1 114 . 13 1 1 A 31 31 ASP N N 31 117.000 118.569 -1.569 1
1 115 . 13 1 1 A 32 32 LYS H H 32 6.930 7.452 -0.522 1
1 116 . 13 1 1 A 32 32 LYS HA H 32 4.110 4.131 -0.021 1
1 125 . 13 1 1 A 32 32 LYS CA C 32 58.300 58.609 -0.309 1
1 126 . 13 1 1 A 32 32 LYS CB C 32 33.100 32.463 0.637 1
1 130 . 13 1 1 A 32 32 LYS N N 32 114.800 118.372 -3.572 1
1 131 . 13 1 1 A 33 33 VAL H H 33 7.400 8.064 -0.664 1
1 132 . 13 1 1 A 33 33 VAL HA H 33 4.620 4.042 0.578 1
1 140 . 13 1 1 A 33 33 VAL CA C 33 60.100 64.152 -4.052 1
1 141 . 13 1 1 A 33 33 VAL CB C 33 32.300 31.371 0.929 1
1 144 . 13 1 1 A 33 33 VAL N N 33 109.100 116.406 -7.306 1
1 145 . 13 1 1 A 34 34 ALA H H 34 6.710 8.276 -1.566 1
1 146 . 13 1 1 A 34 34 ALA HA H 34 3.010 4.032 -1.022 1
1 150 . 13 1 1 A 34 34 ALA CA C 34 55.100 53.960 1.140 1
1 151 . 13 1 1 A 34 34 ALA CB C 34 19.200 18.142 1.058 1
1 152 . 13 1 1 A 34 34 ALA N N 34 124.300 125.047 -0.747 1
1 153 . 13 1 1 A 35 35 SER H H 35 8.120 8.001 0.119 1
1 154 . 13 1 1 A 35 35 SER HA H 35 4.320 4.082 0.238 1
1 157 . 13 1 1 A 35 35 SER CA C 35 60.400 61.160 -0.760 1
1 158 . 13 1 1 A 35 35 SER CB C 35 62.400 63.267 -0.867 1
1 159 . 13 1 1 A 35 35 SER N N 35 110.400 113.591 -3.191 1
1 160 . 13 1 1 A 36 36 GLU H H 36 8.300 8.199 0.101 1
1 161 . 13 1 1 A 36 36 GLU HA H 36 4.270 4.474 -0.204 1
1 166 . 13 1 1 A 36 36 GLU CA C 36 55.700 56.221 -0.521 1
1 167 . 13 1 1 A 36 36 GLU CB C 36 28.900 30.193 -1.293 1
1 169 . 13 1 1 A 36 36 GLU N N 36 119.200 117.655 1.545 1
1 170 . 13 1 1 A 37 37 TYR H H 37 7.920 7.533 0.387 1
1 171 . 13 1 1 A 37 37 TYR HA H 37 5.150 5.277 -0.127 1
1 178 . 13 1 1 A 37 37 TYR CA C 37 57.900 56.365 1.535 1
1 179 . 13 1 1 A 37 37 TYR CB C 37 44.100 42.986 1.114 1
1 182 . 13 1 1 A 37 37 TYR N N 37 117.200 119.266 -2.066 1
1 183 . 13 1 1 A 38 38 THR H H 38 9.480 9.318 0.162 1
1 184 . 13 1 1 A 38 38 THR HA H 38 4.840 5.178 -0.338 1
1 189 . 13 1 1 A 38 38 THR CA C 38 60.400 61.269 -0.869 1
1 190 . 13 1 1 A 38 38 THR CB C 38 71.200 73.258 -2.058 1
1 192 . 13 1 1 A 38 38 THR N N 38 115.400 114.783 0.617 1
1 193 . 13 1 1 A 39 39 LYS H H 39 9.290 8.862 0.428 1
1 194 . 13 1 1 A 39 39 LYS HA H 39 3.880 4.775 -0.895 1
1 203 . 13 1 1 A 39 39 LYS CA C 39 57.500 54.377 3.123 1
1 204 . 13 1 1 A 39 39 LYS CB C 39 32.300 34.896 -2.596 1
1 208 . 13 1 1 A 39 39 LYS N N 39 130.400 123.614 6.786 1
1 209 . 13 1 1 A 40 40 ILE H H 40 8.820 8.770 0.050 1
1 210 . 13 1 1 A 40 40 ILE HA H 40 4.550 4.582 -0.032 1
1 220 . 13 1 1 A 40 40 ILE CA C 40 60.900 60.878 0.022 1
1 221 . 13 1 1 A 40 40 ILE CB C 40 39.200 39.076 0.124 1
1 225 . 13 1 1 A 40 40 ILE N N 40 121.900 122.202 -0.302 1
1 226 . 13 1 1 A 41 41 GLY H H 41 7.130 7.220 -0.090 1
1 227 . 13 1 1 A 41 41 GLY HA2 H 41 3.950 4.009 -0.059 1
1 228 . 13 1 1 A 41 41 GLY HA3 H 41 4.260 4.021 0.239 1
1 229 . 13 1 1 A 41 41 GLY CA C 41 45.100 45.187 -0.087 1
1 230 . 13 1 1 A 41 41 GLY N N 41 107.400 109.166 -1.766 1
1 231 . 13 1 1 A 42 42 THR H H 42 8.210 8.282 -0.072 1
1 232 . 13 1 1 A 42 42 THR HA H 42 5.230 5.039 0.191 1
1 237 . 13 1 1 A 42 42 THR CA C 42 60.900 61.465 -0.565 1
1 238 . 13 1 1 A 42 42 THR CB C 42 72.300 71.118 1.182 1
1 240 . 13 1 1 A 42 42 THR N N 42 115.100 115.218 -0.118 1
1 241 . 13 1 1 A 43 43 ILE H H 43 9.130 9.282 -0.152 1
1 242 . 13 1 1 A 43 43 ILE HA H 43 4.790 5.197 -0.407 1
1 252 . 13 1 1 A 43 43 ILE CA C 43 59.400 58.996 0.404 1
1 253 . 13 1 1 A 43 43 ILE CB C 43 42.600 42.612 -0.012 1
1 257 . 13 1 1 A 43 43 ILE N N 43 118.000 118.588 -0.588 1
1 258 . 13 1 1 A 44 44 SER H H 44 8.330 8.628 -0.298 1
1 259 . 13 1 1 A 44 44 SER HA H 44 5.250 4.936 0.314 1
1 262 . 13 1 1 A 44 44 SER CA C 44 56.700 56.553 0.147 1
1 263 . 13 1 1 A 44 44 SER CB C 44 66.000 65.874 0.126 1
1 264 . 13 1 1 A 44 44 SER N N 44 113.300 116.587 -3.287 1
1 265 . 13 1 1 A 45 45 THR H H 45 8.380 8.746 -0.366 1
1 266 . 13 1 1 A 45 45 THR HA H 45 4.550 4.964 -0.414 1
1 271 . 13 1 1 A 45 45 THR CA C 45 60.900 62.391 -1.491 1
1 272 . 13 1 1 A 45 45 THR CB C 45 70.000 69.359 0.641 1
1 274 . 13 1 1 A 45 45 THR N N 45 113.300 117.847 -4.547 1
1 275 . 13 1 1 A 46 46 THR H H 46 8.540 8.653 -0.113 1
1 276 . 13 1 1 A 46 46 THR HA H 46 4.400 4.743 -0.343 1
1 281 . 13 1 1 A 46 46 THR CA C 46 62.000 61.724 0.276 1
1 282 . 13 1 1 A 46 46 THR CB C 46 69.300 68.430 0.870 1
1 284 . 13 1 1 A 46 46 THR N N 46 117.700 120.285 -2.585 1
1 285 . 13 1 1 A 47 47 GLY H H 47 8.320 8.341 -0.021 1
1 286 . 13 1 1 A 47 47 GLY HA2 H 47 3.890 4.207 -0.317 1
1 287 . 13 1 1 A 47 47 GLY HA3 H 47 3.980 4.232 -0.252 1
1 288 . 13 1 1 A 47 47 GLY CA C 47 44.800 44.680 0.120 1
1 289 . 13 1 1 A 47 47 GLY N N 47 111.700 115.379 -3.679 1
1 290 . 13 1 1 A 48 48 GLU H H 48 8.430 8.636 -0.206 1
1 291 . 13 1 1 A 48 48 GLU HA H 48 4.390 4.600 -0.210 1
1 296 . 13 1 1 A 48 48 GLU CA C 48 55.600 55.534 0.066 1
1 297 . 13 1 1 A 48 48 GLU CB C 48 29.400 28.503 0.897 1
1 299 . 13 1 1 A 48 48 GLU N N 48 120.100 120.894 -0.794 1
1 300 . 13 1 1 A 49 49 MET H H 49 8.390 8.019 0.371 1
1 301 . 13 1 1 A 49 49 MET HA H 49 4.700 5.051 -0.351 1
1 306 . 13 1 1 A 49 49 MET CA C 49 55.000 53.842 1.158 1
1 307 . 13 1 1 A 49 49 MET CB C 49 35.900 36.189 -0.289 1
1 309 . 13 1 1 A 49 49 MET N N 49 120.000 125.028 -5.028 1
1 310 . 13 1 1 A 50 50 SER H H 50 9.020 8.526 0.494 1
1 311 . 13 1 1 A 50 50 SER HA H 50 4.780 4.614 0.166 1
1 314 . 13 1 1 A 50 50 SER CA C 50 57.700 57.266 0.434 1
1 315 . 13 1 1 A 50 50 SER CB C 50 62.600 62.561 0.039 1
1 316 . 13 1 1 A 50 50 SER N N 50 117.900 115.780 2.120 1
1 317 . 13 1 1 A 51 51 PRO HA H 51 4.240 4.297 -0.057 1
1 324 . 13 1 1 A 51 51 PRO CA C 51 66.000 65.930 0.070 1
1 325 . 13 1 1 A 51 51 PRO CB C 51 31.800 31.674 0.126 1
1 328 . 13 1 1 A 52 52 LEU H H 52 8.160 7.668 0.492 1
1 329 . 13 1 1 A 52 52 LEU HA H 52 4.110 3.984 0.126 1
1 339 . 13 1 1 A 52 52 LEU CA C 52 57.900 57.424 0.476 1
1 340 . 13 1 1 A 52 52 LEU CB C 52 41.400 40.934 0.466 1
1 344 . 13 1 1 A 52 52 LEU N N 52 117.600 116.974 0.626 1
1 345 . 13 1 1 A 53 53 ASP H H 53 7.510 8.320 -0.810 1
1 346 . 13 1 1 A 53 53 ASP HA H 53 4.420 4.315 0.105 1
1 349 . 13 1 1 A 53 53 ASP CA C 53 56.600 57.220 -0.620 1
1 350 . 13 1 1 A 53 53 ASP CB C 53 39.800 40.368 -0.568 1
1 351 . 13 1 1 A 53 53 ASP N N 53 119.900 119.660 0.240 1
1 352 . 13 1 1 A 54 54 ALA H H 54 8.800 8.504 0.296 1
1 353 . 13 1 1 A 54 54 ALA HA H 54 4.210 4.000 0.210 1
1 357 . 13 1 1 A 54 54 ALA CA C 54 54.700 55.107 -0.407 1
1 358 . 13 1 1 A 54 54 ALA CB C 54 18.200 17.876 0.324 1
1 359 . 13 1 1 A 54 54 ALA N N 54 123.400 122.271 1.129 1
1 360 . 13 1 1 A 55 55 ARG H H 55 7.860 8.201 -0.341 1
1 361 . 13 1 1 A 55 55 ARG HA H 55 3.730 4.046 -0.316 1
1 368 . 13 1 1 A 55 55 ARG CA C 55 60.200 59.804 0.396 1
1 369 . 13 1 1 A 55 55 ARG CB C 55 30.100 29.779 0.321 1
1 372 . 13 1 1 A 55 55 ARG N N 55 117.100 117.490 -0.390 1
1 373 . 13 1 1 A 56 56 GLU H H 56 7.630 8.339 -0.709 1
1 374 . 13 1 1 A 56 56 GLU HA H 56 4.000 3.995 0.005 1
1 379 . 13 1 1 A 56 56 GLU CA C 56 58.800 59.679 -0.879 1
1 380 . 13 1 1 A 56 56 GLU CB C 56 28.300 29.139 -0.839 1
1 382 . 13 1 1 A 56 56 GLU N N 56 115.900 120.017 -4.117 1
1 383 . 13 1 1 A 57 57 ASP H H 57 8.120 7.833 0.287 1
1 384 . 13 1 1 A 57 57 ASP HA H 57 4.380 4.388 -0.008 1
1 387 . 13 1 1 A 57 57 ASP CA C 57 57.400 56.842 0.558 1
1 388 . 13 1 1 A 57 57 ASP CB C 57 42.500 40.991 1.509 1
1 389 . 13 1 1 A 57 57 ASP N N 57 120.200 119.592 0.608 1
1 390 . 13 1 1 A 58 58 LEU H H 58 8.160 7.894 0.266 1
1 391 . 13 1 1 A 58 58 LEU HA H 58 3.860 4.062 -0.202 1
1 401 . 13 1 1 A 58 58 LEU CA C 58 57.500 57.870 -0.370 1
1 402 . 13 1 1 A 58 58 LEU CB C 58 41.400 41.868 -0.468 1
1 406 . 13 1 1 A 58 58 LEU N N 58 117.300 119.520 -2.220 1
1 407 . 13 1 1 A 59 59 ILE H H 59 8.020 8.700 -0.680 1
1 408 . 13 1 1 A 59 59 ILE HA H 59 3.300 3.485 -0.185 1
1 418 . 13 1 1 A 59 59 ILE CA C 59 65.700 65.703 -0.003 1
1 419 . 13 1 1 A 59 59 ILE CB C 59 37.500 37.822 -0.322 1
1 423 . 13 1 1 A 59 59 ILE N N 59 118.600 119.566 -0.966 1
1 424 . 13 1 1 A 60 60 LYS H H 60 7.890 7.875 0.015 1
1 425 . 13 1 1 A 60 60 LYS HA H 60 4.090 3.909 0.181 1
1 434 . 13 1 1 A 60 60 LYS CA C 60 59.800 60.214 -0.414 1
1 435 . 13 1 1 A 60 60 LYS CB C 60 31.900 32.115 -0.215 1
1 439 . 13 1 1 A 60 60 LYS N N 60 119.400 118.732 0.668 1
1 440 . 13 1 1 A 61 61 LYS H H 61 8.080 7.864 0.216 1
1 441 . 13 1 1 A 61 61 LYS HA H 61 3.980 4.097 -0.117 1
1 450 . 13 1 1 A 61 61 LYS CA C 61 59.200 58.926 0.274 1
1 451 . 13 1 1 A 61 61 LYS CB C 61 33.500 32.339 1.161 1
1 455 . 13 1 1 A 61 61 LYS N N 61 119.200 119.964 -0.764 1
1 456 . 13 1 1 A 62 62 ALA H H 62 8.490 8.211 0.279 1
1 457 . 13 1 1 A 62 62 ALA HA H 62 3.770 4.055 -0.285 1
1 461 . 13 1 1 A 62 62 ALA CA C 62 54.900 55.110 -0.210 1
1 462 . 13 1 1 A 62 62 ALA CB C 62 19.100 18.385 0.715 1
1 463 . 13 1 1 A 62 62 ALA N N 62 122.200 121.575 0.625 1
1 464 . 13 1 1 A 63 63 ASP H H 63 8.850 8.092 0.758 1
1 465 . 13 1 1 A 63 63 ASP HA H 63 4.590 4.363 0.227 1
1 468 . 13 1 1 A 63 63 ASP CA C 63 56.900 57.285 -0.385 1
1 469 . 13 1 1 A 63 63 ASP CB C 63 39.000 41.047 -2.047 1
1 470 . 13 1 1 A 63 63 ASP N N 63 120.200 118.329 1.871 1
1 471 . 13 1 1 A 64 64 GLU H H 64 8.050 8.593 -0.543 1
1 472 . 13 1 1 A 64 64 GLU HA H 64 4.070 4.062 0.008 1
1 477 . 13 1 1 A 64 64 GLU CA C 64 58.800 59.232 -0.432 1
1 478 . 13 1 1 A 64 64 GLU CB C 64 29.000 29.214 -0.214 1
1 480 . 13 1 1 A 64 64 GLU N N 64 121.300 118.968 2.332 1
1 481 . 13 1 1 A 65 65 LYS H H 65 7.180 7.700 -0.520 1
1 482 . 13 1 1 A 65 65 LYS HA H 65 4.310 4.369 -0.059 1
1 491 . 13 1 1 A 65 65 LYS CA C 65 54.800 57.258 -2.458 1
1 492 . 13 1 1 A 65 65 LYS CB C 65 33.000 33.269 -0.269 1
1 496 . 13 1 1 A 65 65 LYS N N 65 115.600 118.527 -2.927 1
1 497 . 13 1 1 A 66 66 GLY H H 66 7.870 7.709 0.161 1
1 498 . 13 1 1 A 66 66 GLY HA2 H 66 3.860 3.951 -0.091 1
1 499 . 13 1 1 A 66 66 GLY HA3 H 66 3.980 3.955 0.025 1
1 500 . 13 1 1 A 66 66 GLY CA C 66 45.700 46.120 -0.420 1
1 501 . 13 1 1 A 66 66 GLY N N 66 107.500 107.718 -0.218 1
1 502 . 13 1 1 A 67 67 ALA H H 67 7.920 7.728 0.192 1
1 503 . 13 1 1 A 67 67 ALA HA H 67 4.020 4.629 -0.609 1
1 507 . 13 1 1 A 67 67 ALA CA C 67 51.700 51.614 0.086 1
1 508 . 13 1 1 A 67 67 ALA CB C 67 21.100 19.977 1.123 1
1 509 . 13 1 1 A 67 67 ALA N N 67 118.900 122.615 -3.715 1
1 510 . 13 1 1 A 68 68 ASP H H 68 8.790 9.504 -0.714 1
1 511 . 13 1 1 A 68 68 ASP HA H 68 5.070 5.059 0.011 1
1 514 . 13 1 1 A 68 68 ASP CA C 68 56.500 55.656 0.844 1
1 515 . 13 1 1 A 68 68 ASP CB C 68 44.900 43.385 1.515 1
1 516 . 13 1 1 A 68 68 ASP N N 68 116.500 119.071 -2.571 1
1 517 . 13 1 1 A 69 69 VAL H H 69 8.070 8.245 -0.175 1
1 518 . 13 1 1 A 69 69 VAL HA H 69 5.130 4.794 0.336 1
1 526 . 13 1 1 A 69 69 VAL CA C 69 60.300 60.609 -0.309 1
1 527 . 13 1 1 A 69 69 VAL CB C 69 37.400 35.347 2.053 1
1 530 . 13 1 1 A 69 69 VAL N N 69 118.400 118.777 -0.377 1
1 531 . 13 1 1 A 70 70 VAL H H 70 8.720 8.873 -0.153 1
1 532 . 13 1 1 A 70 70 VAL HA H 70 4.550 4.957 -0.407 1
1 540 . 13 1 1 A 70 70 VAL CA C 70 59.800 59.240 0.560 1
1 541 . 13 1 1 A 70 70 VAL CB C 70 34.200 34.674 -0.474 1
1 544 . 13 1 1 A 70 70 VAL N N 70 127.300 121.576 5.724 1
1 545 . 13 1 1 A 71 71 VAL H H 71 8.890 8.588 0.302 1
1 546 . 13 1 1 A 71 71 VAL HA H 71 4.550 4.412 0.138 1
1 554 . 13 1 1 A 71 71 VAL CA C 71 60.800 60.556 0.244 1
1 555 . 13 1 1 A 71 71 VAL CB C 71 34.000 35.040 -1.040 1
1 558 . 13 1 1 A 71 71 VAL N N 71 126.700 122.373 4.327 1
1 559 . 13 1 1 A 72 72 LEU H H 72 8.800 8.611 0.189 1
1 560 . 13 1 1 A 72 72 LEU HA H 72 4.440 4.309 0.131 1
1 570 . 13 1 1 A 72 72 LEU CA C 72 55.700 54.543 1.157 1
1 571 . 13 1 1 A 72 72 LEU CB C 72 41.500 40.622 0.878 1
1 575 . 13 1 1 A 72 72 LEU N N 72 127.400 127.456 -0.056 1
1 576 . 13 1 1 A 73 73 THR H H 73 8.630 8.439 0.191 1
1 577 . 13 1 1 A 73 73 THR HA H 73 4.430 4.267 0.163 1
1 582 . 13 1 1 A 73 73 THR CA C 73 61.500 64.001 -2.501 1
1 583 . 13 1 1 A 73 73 THR CB C 73 69.400 69.837 -0.437 1
1 585 . 13 1 1 A 73 73 THR N N 73 114.000 121.230 -7.230 1
1 586 . 13 1 1 A 74 74 SER H H 74 8.130 7.781 0.349 1
1 587 . 13 1 1 A 74 74 SER HA H 74 4.540 5.001 -0.461 1
1 590 . 13 1 1 A 74 74 SER CA C 74 58.000 57.418 0.582 1
1 591 . 13 1 1 A 74 74 SER CB C 74 63.800 67.590 -3.790 1
1 592 . 13 1 1 A 74 74 SER N N 74 116.000 113.550 2.450 1
1 593 . 13 1 1 A 75 75 GLY H H 75 8.570 8.291 0.279 1
1 594 . 13 1 1 A 75 75 GLY HA2 H 75 4.040 4.241 -0.201 1
1 595 . 13 1 1 A 75 75 GLY HA3 H 75 4.040 4.261 -0.221 1
1 596 . 13 1 1 A 75 75 GLY CA C 75 45.100 45.670 -0.570 1
1 597 . 13 1 1 A 75 75 GLY N N 75 109.800 109.057 0.743 1
1 598 . 13 1 1 A 76 76 GLN H H 76 8.390 8.356 0.034 1
1 599 . 13 1 1 A 76 76 GLN HA H 76 4.490 4.622 -0.132 1
1 606 . 13 1 1 A 76 76 GLN CA C 76 55.900 56.518 -0.618 1
1 607 . 13 1 1 A 76 76 GLN CB C 76 29.600 30.591 -0.991 1
1 609 . 13 1 1 A 76 76 GLN N N 76 119.200 122.776 -3.576 1
1 611 . 13 1 1 A 77 77 THR H H 77 8.100 8.060 0.040 1
1 612 . 13 1 1 A 77 77 THR HA H 77 4.420 4.592 -0.172 1
1 617 . 13 1 1 A 77 77 THR CA C 77 61.300 62.074 -0.774 1
1 618 . 13 1 1 A 77 77 THR CB C 77 69.700 69.336 0.364 1
1 620 . 13 1 1 A 77 77 THR N N 77 113.000 109.781 3.219 1
1 621 . 13 1 1 A 78 78 GLU H H 78 8.450 7.868 0.582 1
1 622 . 13 1 1 A 78 78 GLU HA H 78 4.250 4.598 -0.348 1
1 627 . 13 1 1 A 78 78 GLU CA C 78 56.900 58.118 -1.218 1
1 628 . 13 1 1 A 78 78 GLU CB C 78 29.500 31.321 -1.821 1
1 630 . 13 1 1 A 78 78 GLU N N 78 120.700 120.626 0.074 1
1 631 . 13 1 1 A 79 79 ASN H H 79 8.320 8.453 -0.133 1
1 632 . 13 1 1 A 79 79 ASN HA H 79 4.600 4.513 0.087 1
1 637 . 13 1 1 A 79 79 ASN CA C 79 53.700 55.643 -1.943 1
1 638 . 13 1 1 A 79 79 ASN CB C 79 38.600 38.584 0.016 1
1 639 . 13 1 1 A 79 79 ASN N N 79 117.000 118.859 -1.859 1
1 641 . 13 1 1 A 80 80 LYS H H 80 7.910 7.747 0.163 1
1 642 . 13 1 1 A 80 80 LYS HA H 80 4.300 5.087 -0.787 1
1 651 . 13 1 1 A 80 80 LYS CA C 80 56.000 54.682 1.318 1
1 652 . 13 1 1 A 80 80 LYS CB C 80 33.300 35.405 -2.105 1
1 656 . 13 1 1 A 80 80 LYS N N 80 118.800 114.269 4.531 1
1 657 . 13 1 1 A 81 81 ILE H H 81 8.340 8.776 -0.436 1
1 658 . 13 1 1 A 81 81 ILE HA H 81 4.300 4.903 -0.603 1
1 668 . 13 1 1 A 81 81 ILE CA C 81 60.500 59.085 1.415 1
1 669 . 13 1 1 A 81 81 ILE CB C 81 39.800 41.538 -1.738 1
1 673 . 13 1 1 A 81 81 ILE N N 81 119.600 120.764 -1.164 1
1 674 . 13 1 1 A 82 82 HIS H H 82 8.470 9.030 -0.560 1
1 675 . 13 1 1 A 82 82 HIS HA H 82 4.780 5.053 -0.273 1
1 680 . 13 1 1 A 82 82 HIS CA C 82 54.700 54.060 0.640 1
1 681 . 13 1 1 A 82 82 HIS CB C 82 28.900 29.729 -0.829 1
1 684 . 13 1 1 A 82 82 HIS N N 82 121.600 125.570 -3.970 1
1 685 . 13 1 1 A 83 83 GLY H H 83 8.340 8.419 -0.079 1
1 686 . 13 1 1 A 83 83 GLY HA2 H 83 3.690 3.796 -0.106 1
1 687 . 13 1 1 A 83 83 GLY HA3 H 83 4.190 3.827 0.363 1
1 688 . 13 1 1 A 83 83 GLY CA C 83 45.000 45.392 -0.392 1
1 689 . 13 1 1 A 83 83 GLY N N 83 111.600 113.475 -1.875 1
1 690 . 13 1 1 A 84 84 THR H H 84 8.120 8.608 -0.488 1
1 691 . 13 1 1 A 84 84 THR HA H 84 5.030 5.113 -0.083 1
1 696 . 13 1 1 A 84 84 THR CA C 84 60.100 60.976 -0.876 1
1 697 . 13 1 1 A 84 84 THR CB C 84 72.000 71.767 0.233 1
1 699 . 13 1 1 A 84 84 THR N N 84 112.300 118.796 -6.496 1
1 700 . 13 1 1 A 85 85 ALA H H 85 8.840 9.390 -0.550 1
1 701 . 13 1 1 A 85 85 ALA HA H 85 4.950 5.417 -0.467 1
1 705 . 13 1 1 A 85 85 ALA CA C 85 51.200 50.523 0.677 1
1 706 . 13 1 1 A 85 85 ALA CB C 85 23.800 22.585 1.215 1
1 707 . 13 1 1 A 85 85 ALA N N 85 122.500 126.547 -4.047 1
1 708 . 13 1 1 A 86 86 ASP H H 86 8.510 9.316 -0.806 1
1 709 . 13 1 1 A 86 86 ASP HA H 86 5.200 5.239 -0.039 1
1 712 . 13 1 1 A 86 86 ASP CA C 86 53.400 52.952 0.448 1
1 713 . 13 1 1 A 86 86 ASP CB C 86 43.100 43.114 -0.014 1
1 714 . 13 1 1 A 86 86 ASP N N 86 121.400 123.232 -1.832 1
1 715 . 13 1 1 A 87 87 ILE H H 87 7.970 8.457 -0.487 1
1 716 . 13 1 1 A 87 87 ILE HA H 87 5.370 5.165 0.205 1
1 726 . 13 1 1 A 87 87 ILE CA C 87 58.200 59.364 -1.164 1
1 727 . 13 1 1 A 87 87 ILE CB C 87 41.200 40.359 0.841 1
1 731 . 13 1 1 A 87 87 ILE N N 87 111.200 121.188 -9.988 1
1 732 . 13 1 1 A 88 88 TYR H H 88 8.750 9.750 -1.000 1
1 733 . 13 1 1 A 88 88 TYR HA H 88 5.440 5.536 -0.096 1
1 740 . 13 1 1 A 88 88 TYR CA C 88 56.900 56.281 0.619 1
1 741 . 13 1 1 A 88 88 TYR CB C 88 44.000 43.827 0.173 1
1 744 . 13 1 1 A 88 88 TYR N N 88 118.000 121.717 -3.717 1
1 745 . 13 1 1 A 89 89 LYS H H 89 9.590 9.701 -0.111 1
1 746 . 13 1 1 A 89 89 LYS HA H 89 5.170 5.210 -0.040 1
1 755 . 13 1 1 A 89 89 LYS CA C 89 54.400 54.329 0.071 1
1 756 . 13 1 1 A 89 89 LYS CB C 89 36.800 36.149 0.651 1
1 760 . 13 1 1 A 89 89 LYS N N 89 123.500 122.674 0.826 1
1 761 . 13 1 1 A 90 90 LYS H H 90 10.190 7.968 2.222 1
1 762 . 13 1 1 A 90 90 LYS HA H 90 3.810 3.276 0.534 1
1 771 . 13 1 1 A 90 90 LYS CA C 90 57.500 55.834 1.666 1
1 772 . 13 1 1 A 90 90 LYS CB C 90 32.700 32.408 0.292 1
1 776 . 13 1 1 A 90 90 LYS N N 90 129.200 121.689 7.511 1
1 777 . 13 1 1 A 91 91 LYS H H 91 8.450 8.387 0.063 1
1 778 . 13 1 1 A 91 91 LYS HA H 91 4.100 4.543 -0.443 1
1 787 . 13 1 1 A 91 91 LYS CA C 91 57.300 54.888 2.412 1
1 788 . 13 1 1 A 91 91 LYS CB C 91 33.100 34.597 -1.497 1
1 792 . 13 1 1 A 91 91 LYS N N 91 125.900 121.339 4.561 1
1 793 . 13 1 1 A 92 92 LEU H H 92 8.270 8.347 -0.077 1
1 794 . 13 1 1 A 92 92 LEU HA H 92 4.280 4.730 -0.450 1
1 804 . 13 1 1 A 92 92 LEU CA C 92 54.600 54.551 0.049 1
1 805 . 13 1 1 A 92 92 LEU CB C 92 42.100 42.042 0.058 1
1 809 . 13 1 1 A 92 92 LEU N N 92 123.200 120.068 3.132 1
1 810 . 13 1 1 A 93 93 GLU H H 93 8.310 8.075 0.235 1
1 811 . 13 1 1 A 93 93 GLU HA H 93 4.220 4.521 -0.301 1
1 816 . 13 1 1 A 93 93 GLU CA C 93 55.700 56.094 -0.394 1
1 817 . 13 1 1 A 93 93 GLU CB C 93 30.200 30.025 0.175 1
1 819 . 13 1 1 A 93 93 GLU N N 93 122.000 118.181 3.819 1
1 820 . 13 1 1 A 94 94 HIS H H 94 8.570 7.770 0.800 1
1 821 . 13 1 1 A 94 94 HIS HA H 94 4.630 4.856 -0.226 1
1 826 . 13 1 1 A 94 94 HIS CA C 94 55.000 54.949 0.051 1
1 827 . 13 1 1 A 94 94 HIS CB C 94 28.900 30.036 -1.136 1
1 830 . 13 1 1 A 94 94 HIS N N 94 119.700 121.494 -1.794 1
1 831 . 13 1 1 A 95 95 HIS H H 95 8.610 8.584 0.026 1
1 832 . 13 1 1 A 95 95 HIS HA H 95 4.650 4.361 0.289 1
1 837 . 13 1 1 A 95 95 HIS CA C 95 55.200 56.193 -0.993 1
1 838 . 13 1 1 A 95 95 HIS CB C 95 28.900 30.074 -1.174 1
1 841 . 13 1 1 A 95 95 HIS N N 95 119.300 123.775 -4.475 1
1 842 . 13 1 1 A 96 96 HIS H H 96 8.680 9.438 -0.758 1
1 843 . 13 1 1 A 96 96 HIS HA H 96 4.660 4.426 0.234 1
1 848 . 13 1 1 A 96 96 HIS CA C 96 55.200 57.627 -2.427 1
1 849 . 13 1 1 A 96 96 HIS CB C 96 29.100 28.954 0.146 1
1 852 . 13 1 1 A 96 96 HIS N N 96 120.100 116.709 3.391 1
1 853 . 13 1 1 A 97 97 HIS H H 97 8.580 8.505 0.075 1
1 854 . 13 1 1 A 97 97 HIS HA H 97 4.660 4.079 0.581 1
1 859 . 13 1 1 A 97 97 HIS CA C 97 55.400 56.603 -1.203 1
1 860 . 13 1 1 A 97 97 HIS CB C 97 29.200 27.225 1.975 1
1 863 . 13 1 1 A 97 97 HIS N N 97 120.400 115.925 4.475 1
1 864 . 13 1 1 A 98 98 HIS H H 98 8.390 8.098 0.292 1
1 865 . 13 1 1 A 98 98 HIS HA H 98 4.620 4.485 0.135 1
1 870 . 13 1 1 A 98 98 HIS CA C 98 55.500 57.920 -2.420 1
1 871 . 13 1 1 A 98 98 HIS CB C 98 29.100 31.263 -2.163 1
1 1 . 14 1 1 A 22 22 ALA HA H 22 4.130 4.035 0.095 1
1 5 . 14 1 1 A 22 22 ALA CA C 22 50.900 52.949 -2.049 1
1 6 . 14 1 1 A 22 22 ALA CB C 22 20.200 17.201 2.999 1
1 7 . 14 1 1 A 23 23 GLU H H 23 7.920 8.073 -0.153 1
1 8 . 14 1 1 A 23 23 GLU HA H 23 4.710 4.857 -0.147 1
1 13 . 14 1 1 A 23 23 GLU CA C 23 54.300 54.781 -0.481 1
1 14 . 14 1 1 A 23 23 GLU CB C 23 32.500 33.278 -0.778 1
1 16 . 14 1 1 A 23 23 GLU N N 23 117.600 115.809 1.791 1
1 17 . 14 1 1 A 24 24 ILE H H 24 8.870 8.692 0.178 1
1 18 . 14 1 1 A 24 24 ILE HA H 24 4.870 4.478 0.392 1
1 28 . 14 1 1 A 24 24 ILE CA C 24 60.200 60.799 -0.599 1
1 29 . 14 1 1 A 24 24 ILE CB C 24 38.100 37.718 0.382 1
1 33 . 14 1 1 A 24 24 ILE N N 24 123.800 124.496 -0.696 1
1 34 . 14 1 1 A 25 25 MET H H 25 8.720 8.574 0.146 1
1 35 . 14 1 1 A 25 25 MET HA H 25 4.760 4.948 -0.188 1
1 40 . 14 1 1 A 25 25 MET CA C 25 54.300 53.731 0.569 1
1 41 . 14 1 1 A 25 25 MET CB C 25 37.100 33.705 3.395 1
1 43 . 14 1 1 A 25 25 MET N N 25 127.100 126.429 0.671 1
1 44 . 14 1 1 A 26 26 LYS H H 26 9.190 8.629 0.561 1
1 45 . 14 1 1 A 26 26 LYS HA H 26 4.320 4.213 0.107 1
1 54 . 14 1 1 A 26 26 LYS CA C 26 56.600 57.017 -0.417 1
1 55 . 14 1 1 A 26 26 LYS CB C 26 32.900 32.918 -0.018 1
1 59 . 14 1 1 A 26 26 LYS N N 26 123.500 121.694 1.806 1
1 60 . 14 1 1 A 27 27 LYS H H 27 8.870 8.976 -0.106 1
1 61 . 14 1 1 A 27 27 LYS HA H 27 3.860 3.975 -0.115 1
1 70 . 14 1 1 A 27 27 LYS CA C 27 60.500 59.353 1.147 1
1 71 . 14 1 1 A 27 27 LYS CB C 27 32.400 32.182 0.218 1
1 75 . 14 1 1 A 27 27 LYS N N 27 126.200 124.261 1.939 1
1 76 . 14 1 1 A 28 28 THR H H 28 8.110 7.927 0.183 1
1 77 . 14 1 1 A 28 28 THR HA H 28 4.130 3.877 0.253 1
1 82 . 14 1 1 A 28 28 THR CA C 28 64.600 67.312 -2.712 1
1 83 . 14 1 1 A 28 28 THR CB C 28 68.000 68.056 -0.056 1
1 85 . 14 1 1 A 28 28 THR N N 28 107.100 117.535 -10.435 1
1 86 . 14 1 1 A 29 29 ASP H H 29 6.770 8.133 -1.363 1
1 87 . 14 1 1 A 29 29 ASP HA H 29 4.580 4.352 0.228 1
1 90 . 14 1 1 A 29 29 ASP CA C 29 56.600 56.940 -0.340 1
1 91 . 14 1 1 A 29 29 ASP CB C 29 40.600 40.614 -0.014 1
1 92 . 14 1 1 A 29 29 ASP N N 29 119.500 121.122 -1.622 1
1 93 . 14 1 1 A 30 30 PHE H H 30 8.630 8.821 -0.191 1
1 94 . 14 1 1 A 30 30 PHE HA H 30 3.930 3.950 -0.020 1
1 102 . 14 1 1 A 30 30 PHE CA C 30 60.800 59.964 0.836 1
1 103 . 14 1 1 A 30 30 PHE CB C 30 38.900 38.777 0.123 1
1 107 . 14 1 1 A 30 30 PHE N N 30 123.300 120.475 2.825 1
1 108 . 14 1 1 A 31 31 ASP H H 31 8.650 8.232 0.418 1
1 109 . 14 1 1 A 31 31 ASP HA H 31 4.150 4.008 0.142 1
1 112 . 14 1 1 A 31 31 ASP CA C 31 57.000 56.908 0.092 1
1 113 . 14 1 1 A 31 31 ASP CB C 31 39.800 40.103 -0.303 1
1 114 . 14 1 1 A 31 31 ASP N N 31 117.000 118.926 -1.926 1
1 115 . 14 1 1 A 32 32 LYS H H 32 6.930 7.482 -0.552 1
1 116 . 14 1 1 A 32 32 LYS HA H 32 4.110 4.058 0.052 1
1 125 . 14 1 1 A 32 32 LYS CA C 32 58.300 59.209 -0.909 1
1 126 . 14 1 1 A 32 32 LYS CB C 32 33.100 32.660 0.440 1
1 130 . 14 1 1 A 32 32 LYS N N 32 114.800 121.126 -6.326 1
1 131 . 14 1 1 A 33 33 VAL H H 33 7.400 8.127 -0.727 1
1 132 . 14 1 1 A 33 33 VAL HA H 33 4.620 4.149 0.471 1
1 140 . 14 1 1 A 33 33 VAL CA C 33 60.100 63.189 -3.089 1
1 141 . 14 1 1 A 33 33 VAL CB C 33 32.300 31.549 0.751 1
1 144 . 14 1 1 A 33 33 VAL N N 33 109.100 115.276 -6.176 1
1 145 . 14 1 1 A 34 34 ALA H H 34 6.710 7.680 -0.970 1
1 146 . 14 1 1 A 34 34 ALA HA H 34 3.010 3.920 -0.910 1
1 150 . 14 1 1 A 34 34 ALA CA C 34 55.100 53.936 1.164 1
1 151 . 14 1 1 A 34 34 ALA CB C 34 19.200 18.012 1.188 1
1 152 . 14 1 1 A 34 34 ALA N N 34 124.300 125.692 -1.392 1
1 153 . 14 1 1 A 35 35 SER H H 35 8.120 7.496 0.624 1
1 154 . 14 1 1 A 35 35 SER HA H 35 4.320 4.272 0.048 1
1 157 . 14 1 1 A 35 35 SER CA C 35 60.400 60.931 -0.531 1
1 158 . 14 1 1 A 35 35 SER CB C 35 62.400 63.373 -0.973 1
1 159 . 14 1 1 A 35 35 SER N N 35 110.400 112.494 -2.094 1
1 160 . 14 1 1 A 36 36 GLU H H 36 8.300 7.943 0.357 1
1 161 . 14 1 1 A 36 36 GLU HA H 36 4.270 4.415 -0.145 1
1 166 . 14 1 1 A 36 36 GLU CA C 36 55.700 56.301 -0.601 1
1 167 . 14 1 1 A 36 36 GLU CB C 36 28.900 31.003 -2.103 1
1 169 . 14 1 1 A 36 36 GLU N N 36 119.200 117.786 1.414 1
1 170 . 14 1 1 A 37 37 TYR H H 37 7.920 7.590 0.330 1
1 171 . 14 1 1 A 37 37 TYR HA H 37 5.150 5.245 -0.095 1
1 178 . 14 1 1 A 37 37 TYR CA C 37 57.900 56.383 1.517 1
1 179 . 14 1 1 A 37 37 TYR CB C 37 44.100 42.943 1.157 1
1 182 . 14 1 1 A 37 37 TYR N N 37 117.200 118.894 -1.694 1
1 183 . 14 1 1 A 38 38 THR H H 38 9.480 9.456 0.024 1
1 184 . 14 1 1 A 38 38 THR HA H 38 4.840 5.032 -0.192 1
1 189 . 14 1 1 A 38 38 THR CA C 38 60.400 61.244 -0.844 1
1 190 . 14 1 1 A 38 38 THR CB C 38 71.200 72.361 -1.161 1
1 192 . 14 1 1 A 38 38 THR N N 38 115.400 116.394 -0.994 1
1 193 . 14 1 1 A 39 39 LYS H H 39 9.290 8.930 0.360 1
1 194 . 14 1 1 A 39 39 LYS HA H 39 3.880 4.294 -0.414 1
1 203 . 14 1 1 A 39 39 LYS CA C 39 57.500 56.652 0.848 1
1 204 . 14 1 1 A 39 39 LYS CB C 39 32.300 32.202 0.098 1
1 208 . 14 1 1 A 39 39 LYS N N 39 130.400 128.992 1.408 1
1 209 . 14 1 1 A 40 40 ILE H H 40 8.820 8.755 0.065 1
1 210 . 14 1 1 A 40 40 ILE HA H 40 4.550 4.469 0.081 1
1 220 . 14 1 1 A 40 40 ILE CA C 40 60.900 61.171 -0.271 1
1 221 . 14 1 1 A 40 40 ILE CB C 40 39.200 38.656 0.544 1
1 225 . 14 1 1 A 40 40 ILE N N 40 121.900 122.500 -0.600 1
1 226 . 14 1 1 A 41 41 GLY H H 41 7.130 7.141 -0.011 1
1 227 . 14 1 1 A 41 41 GLY HA2 H 41 3.950 3.995 -0.045 1
1 228 . 14 1 1 A 41 41 GLY HA3 H 41 4.260 4.011 0.249 1
1 229 . 14 1 1 A 41 41 GLY CA C 41 45.100 44.564 0.536 1
1 230 . 14 1 1 A 41 41 GLY N N 41 107.400 109.118 -1.718 1
1 231 . 14 1 1 A 42 42 THR H H 42 8.210 8.290 -0.080 1
1 232 . 14 1 1 A 42 42 THR HA H 42 5.230 4.926 0.304 1
1 237 . 14 1 1 A 42 42 THR CA C 42 60.900 61.465 -0.565 1
1 238 . 14 1 1 A 42 42 THR CB C 42 72.300 70.906 1.394 1
1 240 . 14 1 1 A 42 42 THR N N 42 115.100 115.540 -0.440 1
1 241 . 14 1 1 A 43 43 ILE H H 43 9.130 9.470 -0.340 1
1 242 . 14 1 1 A 43 43 ILE HA H 43 4.790 5.086 -0.296 1
1 252 . 14 1 1 A 43 43 ILE CA C 43 59.400 58.988 0.412 1
1 253 . 14 1 1 A 43 43 ILE CB C 43 42.600 41.494 1.106 1
1 257 . 14 1 1 A 43 43 ILE N N 43 118.000 122.323 -4.323 1
1 258 . 14 1 1 A 44 44 SER H H 44 8.330 8.705 -0.375 1
1 259 . 14 1 1 A 44 44 SER HA H 44 5.250 5.080 0.170 1
1 262 . 14 1 1 A 44 44 SER CA C 44 56.700 56.859 -0.159 1
1 263 . 14 1 1 A 44 44 SER CB C 44 66.000 64.755 1.245 1
1 264 . 14 1 1 A 44 44 SER N N 44 113.300 117.179 -3.879 1
1 265 . 14 1 1 A 45 45 THR H H 45 8.380 8.339 0.041 1
1 266 . 14 1 1 A 45 45 THR HA H 45 4.550 4.721 -0.171 1
1 271 . 14 1 1 A 45 45 THR CA C 45 60.900 59.868 1.032 1
1 272 . 14 1 1 A 45 45 THR CB C 45 70.000 70.546 -0.546 1
1 274 . 14 1 1 A 45 45 THR N N 45 113.300 116.322 -3.022 1
1 275 . 14 1 1 A 46 46 THR H H 46 8.540 8.721 -0.181 1
1 276 . 14 1 1 A 46 46 THR HA H 46 4.400 4.701 -0.301 1
1 281 . 14 1 1 A 46 46 THR CA C 46 62.000 60.934 1.066 1
1 282 . 14 1 1 A 46 46 THR CB C 46 69.300 69.961 -0.661 1
1 284 . 14 1 1 A 46 46 THR N N 46 117.700 117.816 -0.116 1
1 285 . 14 1 1 A 47 47 GLY H H 47 8.320 8.815 -0.495 1
1 286 . 14 1 1 A 47 47 GLY HA2 H 47 3.890 3.895 -0.005 1
1 287 . 14 1 1 A 47 47 GLY HA3 H 47 3.980 3.901 0.079 1
1 288 . 14 1 1 A 47 47 GLY CA C 47 44.800 46.478 -1.678 1
1 289 . 14 1 1 A 47 47 GLY N N 47 111.700 114.267 -2.567 1
1 290 . 14 1 1 A 48 48 GLU H H 48 8.430 8.153 0.277 1
1 291 . 14 1 1 A 48 48 GLU HA H 48 4.390 4.340 0.050 1
1 296 . 14 1 1 A 48 48 GLU CA C 48 55.600 55.968 -0.368 1
1 297 . 14 1 1 A 48 48 GLU CB C 48 29.400 29.003 0.397 1
1 299 . 14 1 1 A 48 48 GLU N N 48 120.100 116.442 3.658 1
1 300 . 14 1 1 A 49 49 MET H H 49 8.390 7.702 0.688 1
1 301 . 14 1 1 A 49 49 MET HA H 49 4.700 5.002 -0.302 1
1 306 . 14 1 1 A 49 49 MET CA C 49 55.000 53.947 1.053 1
1 307 . 14 1 1 A 49 49 MET CB C 49 35.900 38.215 -2.315 1
1 309 . 14 1 1 A 49 49 MET N N 49 120.000 120.166 -0.166 1
1 310 . 14 1 1 A 50 50 SER H H 50 9.020 8.578 0.442 1
1 311 . 14 1 1 A 50 50 SER HA H 50 4.780 4.635 0.145 1
1 314 . 14 1 1 A 50 50 SER CA C 50 57.700 57.186 0.514 1
1 315 . 14 1 1 A 50 50 SER CB C 50 62.600 62.454 0.146 1
1 316 . 14 1 1 A 50 50 SER N N 50 117.900 117.190 0.710 1
1 317 . 14 1 1 A 51 51 PRO HA H 51 4.240 4.301 -0.061 1
1 324 . 14 1 1 A 51 51 PRO CA C 51 66.000 65.938 0.062 1
1 325 . 14 1 1 A 51 51 PRO CB C 51 31.800 31.678 0.122 1
1 328 . 14 1 1 A 52 52 LEU H H 52 8.160 7.658 0.502 1
1 329 . 14 1 1 A 52 52 LEU HA H 52 4.110 4.055 0.055 1
1 339 . 14 1 1 A 52 52 LEU CA C 52 57.900 57.167 0.733 1
1 340 . 14 1 1 A 52 52 LEU CB C 52 41.400 41.809 -0.409 1
1 344 . 14 1 1 A 52 52 LEU N N 52 117.600 117.525 0.075 1
1 345 . 14 1 1 A 53 53 ASP H H 53 7.510 8.279 -0.769 1
1 346 . 14 1 1 A 53 53 ASP HA H 53 4.420 4.265 0.155 1
1 349 . 14 1 1 A 53 53 ASP CA C 53 56.600 57.885 -1.285 1
1 350 . 14 1 1 A 53 53 ASP CB C 53 39.800 41.518 -1.718 1
1 351 . 14 1 1 A 53 53 ASP N N 53 119.900 119.416 0.484 1
1 352 . 14 1 1 A 54 54 ALA H H 54 8.800 8.469 0.331 1
1 353 . 14 1 1 A 54 54 ALA HA H 54 4.210 4.048 0.162 1
1 357 . 14 1 1 A 54 54 ALA CA C 54 54.700 55.028 -0.328 1
1 358 . 14 1 1 A 54 54 ALA CB C 54 18.200 17.998 0.202 1
1 359 . 14 1 1 A 54 54 ALA N N 54 123.400 121.853 1.547 1
1 360 . 14 1 1 A 55 55 ARG H H 55 7.860 7.630 0.230 1
1 361 . 14 1 1 A 55 55 ARG HA H 55 3.730 4.077 -0.347 1
1 368 . 14 1 1 A 55 55 ARG CA C 55 60.200 59.698 0.502 1
1 369 . 14 1 1 A 55 55 ARG CB C 55 30.100 30.173 -0.073 1
1 372 . 14 1 1 A 55 55 ARG N N 55 117.100 117.760 -0.660 1
1 373 . 14 1 1 A 56 56 GLU H H 56 7.630 8.578 -0.948 1
1 374 . 14 1 1 A 56 56 GLU HA H 56 4.000 4.035 -0.035 1
1 379 . 14 1 1 A 56 56 GLU CA C 56 58.800 59.532 -0.732 1
1 380 . 14 1 1 A 56 56 GLU CB C 56 28.300 29.156 -0.856 1
1 382 . 14 1 1 A 56 56 GLU N N 56 115.900 119.964 -4.064 1
1 383 . 14 1 1 A 57 57 ASP H H 57 8.120 8.290 -0.170 1
1 384 . 14 1 1 A 57 57 ASP HA H 57 4.380 4.387 -0.007 1
1 387 . 14 1 1 A 57 57 ASP CA C 57 57.400 57.224 0.176 1
1 388 . 14 1 1 A 57 57 ASP CB C 57 42.500 41.308 1.192 1
1 389 . 14 1 1 A 57 57 ASP N N 57 120.200 119.747 0.453 1
1 390 . 14 1 1 A 58 58 LEU H H 58 8.160 8.031 0.129 1
1 391 . 14 1 1 A 58 58 LEU HA H 58 3.860 4.014 -0.154 1
1 401 . 14 1 1 A 58 58 LEU CA C 58 57.500 57.955 -0.455 1
1 402 . 14 1 1 A 58 58 LEU CB C 58 41.400 41.922 -0.522 1
1 406 . 14 1 1 A 58 58 LEU N N 58 117.300 119.504 -2.204 1
1 407 . 14 1 1 A 59 59 ILE H H 59 8.020 8.576 -0.556 1
1 408 . 14 1 1 A 59 59 ILE HA H 59 3.300 3.510 -0.210 1
1 418 . 14 1 1 A 59 59 ILE CA C 59 65.700 65.286 0.414 1
1 419 . 14 1 1 A 59 59 ILE CB C 59 37.500 37.521 -0.021 1
1 423 . 14 1 1 A 59 59 ILE N N 59 118.600 119.698 -1.098 1
1 424 . 14 1 1 A 60 60 LYS H H 60 7.890 8.442 -0.552 1
1 425 . 14 1 1 A 60 60 LYS HA H 60 4.090 3.992 0.098 1
1 434 . 14 1 1 A 60 60 LYS CA C 60 59.800 58.925 0.875 1
1 435 . 14 1 1 A 60 60 LYS CB C 60 31.900 31.782 0.118 1
1 439 . 14 1 1 A 60 60 LYS N N 60 119.400 120.647 -1.247 1
1 440 . 14 1 1 A 61 61 LYS H H 61 8.080 7.790 0.290 1
1 441 . 14 1 1 A 61 61 LYS HA H 61 3.980 4.062 -0.082 1
1 450 . 14 1 1 A 61 61 LYS CA C 61 59.200 58.952 0.248 1
1 451 . 14 1 1 A 61 61 LYS CB C 61 33.500 32.288 1.212 1
1 455 . 14 1 1 A 61 61 LYS N N 61 119.200 119.953 -0.753 1
1 456 . 14 1 1 A 62 62 ALA H H 62 8.490 8.376 0.114 1
1 457 . 14 1 1 A 62 62 ALA HA H 62 3.770 4.062 -0.292 1
1 461 . 14 1 1 A 62 62 ALA CA C 62 54.900 54.959 -0.059 1
1 462 . 14 1 1 A 62 62 ALA CB C 62 19.100 18.121 0.979 1
1 463 . 14 1 1 A 62 62 ALA N N 62 122.200 121.617 0.583 1
1 464 . 14 1 1 A 63 63 ASP H H 63 8.850 7.940 0.910 1
1 465 . 14 1 1 A 63 63 ASP HA H 63 4.590 4.242 0.348 1
1 468 . 14 1 1 A 63 63 ASP CA C 63 56.900 57.286 -0.386 1
1 469 . 14 1 1 A 63 63 ASP CB C 63 39.000 41.019 -2.019 1
1 470 . 14 1 1 A 63 63 ASP N N 63 120.200 118.261 1.939 1
1 471 . 14 1 1 A 64 64 GLU H H 64 8.050 8.555 -0.505 1
1 472 . 14 1 1 A 64 64 GLU HA H 64 4.070 4.032 0.038 1
1 477 . 14 1 1 A 64 64 GLU CA C 64 58.800 59.158 -0.358 1
1 478 . 14 1 1 A 64 64 GLU CB C 64 29.000 29.328 -0.328 1
1 480 . 14 1 1 A 64 64 GLU N N 64 121.300 119.015 2.285 1
1 481 . 14 1 1 A 65 65 LYS H H 65 7.180 7.942 -0.762 1
1 482 . 14 1 1 A 65 65 LYS HA H 65 4.310 4.358 -0.048 1
1 491 . 14 1 1 A 65 65 LYS CA C 65 54.800 57.181 -2.381 1
1 492 . 14 1 1 A 65 65 LYS CB C 65 33.000 33.334 -0.334 1
1 496 . 14 1 1 A 65 65 LYS N N 65 115.600 118.328 -2.728 1
1 497 . 14 1 1 A 66 66 GLY H H 66 7.870 8.045 -0.175 1
1 498 . 14 1 1 A 66 66 GLY HA2 H 66 3.860 3.921 -0.061 1
1 499 . 14 1 1 A 66 66 GLY HA3 H 66 3.980 4.163 -0.183 1
1 500 . 14 1 1 A 66 66 GLY CA C 66 45.700 46.176 -0.476 1
1 501 . 14 1 1 A 66 66 GLY N N 66 107.500 107.561 -0.061 1
1 502 . 14 1 1 A 67 67 ALA H H 67 7.920 8.355 -0.435 1
1 503 . 14 1 1 A 67 67 ALA HA H 67 4.020 4.568 -0.548 1
1 507 . 14 1 1 A 67 67 ALA CA C 67 51.700 51.796 -0.096 1
1 508 . 14 1 1 A 67 67 ALA CB C 67 21.100 19.890 1.210 1
1 509 . 14 1 1 A 67 67 ALA N N 67 118.900 122.710 -3.810 1
1 510 . 14 1 1 A 68 68 ASP H H 68 8.790 9.501 -0.711 1
1 511 . 14 1 1 A 68 68 ASP HA H 68 5.070 5.057 0.013 1
1 514 . 14 1 1 A 68 68 ASP CA C 68 56.500 55.752 0.748 1
1 515 . 14 1 1 A 68 68 ASP CB C 68 44.900 43.456 1.444 1
1 516 . 14 1 1 A 68 68 ASP N N 68 116.500 119.200 -2.700 1
1 517 . 14 1 1 A 69 69 VAL H H 69 8.070 8.372 -0.302 1
1 518 . 14 1 1 A 69 69 VAL HA H 69 5.130 5.001 0.129 1
1 526 . 14 1 1 A 69 69 VAL CA C 69 60.300 60.635 -0.335 1
1 527 . 14 1 1 A 69 69 VAL CB C 69 37.400 35.381 2.019 1
1 530 . 14 1 1 A 69 69 VAL N N 69 118.400 118.341 0.059 1
1 531 . 14 1 1 A 70 70 VAL H H 70 8.720 8.744 -0.024 1
1 532 . 14 1 1 A 70 70 VAL HA H 70 4.550 5.043 -0.493 1
1 540 . 14 1 1 A 70 70 VAL CA C 70 59.800 59.444 0.356 1
1 541 . 14 1 1 A 70 70 VAL CB C 70 34.200 34.752 -0.552 1
1 544 . 14 1 1 A 70 70 VAL N N 70 127.300 121.552 5.748 1
1 545 . 14 1 1 A 71 71 VAL H H 71 8.890 8.770 0.120 1
1 546 . 14 1 1 A 71 71 VAL HA H 71 4.550 4.571 -0.021 1
1 554 . 14 1 1 A 71 71 VAL CA C 71 60.800 61.335 -0.535 1
1 555 . 14 1 1 A 71 71 VAL CB C 71 34.000 33.770 0.230 1
1 558 . 14 1 1 A 71 71 VAL N N 71 126.700 122.947 3.753 1
1 559 . 14 1 1 A 72 72 LEU H H 72 8.800 8.765 0.035 1
1 560 . 14 1 1 A 72 72 LEU HA H 72 4.440 4.360 0.080 1
1 570 . 14 1 1 A 72 72 LEU CA C 72 55.700 54.381 1.319 1
1 571 . 14 1 1 A 72 72 LEU CB C 72 41.500 40.709 0.791 1
1 575 . 14 1 1 A 72 72 LEU N N 72 127.400 129.179 -1.779 1
1 576 . 14 1 1 A 73 73 THR H H 73 8.630 8.160 0.470 1
1 577 . 14 1 1 A 73 73 THR HA H 73 4.430 4.327 0.103 1
1 582 . 14 1 1 A 73 73 THR CA C 73 61.500 62.951 -1.451 1
1 583 . 14 1 1 A 73 73 THR CB C 73 69.400 69.045 0.355 1
1 585 . 14 1 1 A 73 73 THR N N 73 114.000 116.253 -2.253 1
1 586 . 14 1 1 A 74 74 SER H H 74 8.130 7.739 0.391 1
1 587 . 14 1 1 A 74 74 SER HA H 74 4.540 4.831 -0.291 1
1 590 . 14 1 1 A 74 74 SER CA C 74 58.000 57.356 0.644 1
1 591 . 14 1 1 A 74 74 SER CB C 74 63.800 66.865 -3.065 1
1 592 . 14 1 1 A 74 74 SER N N 74 116.000 116.086 -0.086 1
1 593 . 14 1 1 A 75 75 GLY H H 75 8.570 8.476 0.094 1
1 594 . 14 1 1 A 75 75 GLY HA2 H 75 4.040 3.967 0.073 1
1 595 . 14 1 1 A 75 75 GLY HA3 H 75 4.040 3.972 0.068 1
1 596 . 14 1 1 A 75 75 GLY CA C 75 45.100 45.145 -0.045 1
1 597 . 14 1 1 A 75 75 GLY N N 75 109.800 111.754 -1.954 1
1 598 . 14 1 1 A 76 76 GLN H H 76 8.390 8.027 0.363 1
1 599 . 14 1 1 A 76 76 GLN HA H 76 4.490 4.419 0.071 1
1 606 . 14 1 1 A 76 76 GLN CA C 76 55.900 55.593 0.307 1
1 607 . 14 1 1 A 76 76 GLN CB C 76 29.600 28.956 0.644 1
1 609 . 14 1 1 A 76 76 GLN N N 76 119.200 119.086 0.114 1
1 611 . 14 1 1 A 77 77 THR H H 77 8.100 7.797 0.303 1
1 612 . 14 1 1 A 77 77 THR HA H 77 4.420 4.334 0.086 1
1 617 . 14 1 1 A 77 77 THR CA C 77 61.300 63.270 -1.970 1
1 618 . 14 1 1 A 77 77 THR CB C 77 69.700 69.392 0.308 1
1 620 . 14 1 1 A 77 77 THR N N 77 113.000 114.775 -1.775 1
1 621 . 14 1 1 A 78 78 GLU H H 78 8.450 8.199 0.251 1
1 622 . 14 1 1 A 78 78 GLU HA H 78 4.250 4.293 -0.043 1
1 627 . 14 1 1 A 78 78 GLU CA C 78 56.900 58.686 -1.786 1
1 628 . 14 1 1 A 78 78 GLU CB C 78 29.500 29.340 0.160 1
1 630 . 14 1 1 A 78 78 GLU N N 78 120.700 120.339 0.361 1
1 631 . 14 1 1 A 79 79 ASN H H 79 8.320 8.588 -0.268 1
1 632 . 14 1 1 A 79 79 ASN HA H 79 4.600 4.545 0.055 1
1 637 . 14 1 1 A 79 79 ASN CA C 79 53.700 55.972 -2.272 1
1 638 . 14 1 1 A 79 79 ASN CB C 79 38.600 39.344 -0.744 1
1 639 . 14 1 1 A 79 79 ASN N N 79 117.000 118.481 -1.481 1
1 641 . 14 1 1 A 80 80 LYS H H 80 7.910 7.734 0.176 1
1 642 . 14 1 1 A 80 80 LYS HA H 80 4.300 5.036 -0.736 1
1 651 . 14 1 1 A 80 80 LYS CA C 80 56.000 54.816 1.184 1
1 652 . 14 1 1 A 80 80 LYS CB C 80 33.300 35.793 -2.493 1
1 656 . 14 1 1 A 80 80 LYS N N 80 118.800 113.588 5.212 1
1 657 . 14 1 1 A 81 81 ILE H H 81 8.340 8.852 -0.512 1
1 658 . 14 1 1 A 81 81 ILE HA H 81 4.300 4.922 -0.622 1
1 668 . 14 1 1 A 81 81 ILE CA C 81 60.500 59.216 1.284 1
1 669 . 14 1 1 A 81 81 ILE CB C 81 39.800 41.279 -1.479 1
1 673 . 14 1 1 A 81 81 ILE N N 81 119.600 119.213 0.387 1
1 674 . 14 1 1 A 82 82 HIS H H 82 8.470 9.130 -0.660 1
1 675 . 14 1 1 A 82 82 HIS HA H 82 4.780 4.869 -0.089 1
1 680 . 14 1 1 A 82 82 HIS CA C 82 54.700 54.303 0.397 1
1 681 . 14 1 1 A 82 82 HIS CB C 82 28.900 28.814 0.086 1
1 684 . 14 1 1 A 82 82 HIS N N 82 121.600 126.577 -4.977 1
1 685 . 14 1 1 A 83 83 GLY H H 83 8.340 8.080 0.260 1
1 686 . 14 1 1 A 83 83 GLY HA2 H 83 3.690 3.799 -0.109 1
1 687 . 14 1 1 A 83 83 GLY HA3 H 83 4.190 3.808 0.382 1
1 688 . 14 1 1 A 83 83 GLY CA C 83 45.000 45.828 -0.828 1
1 689 . 14 1 1 A 83 83 GLY N N 83 111.600 113.027 -1.427 1
1 690 . 14 1 1 A 84 84 THR H H 84 8.120 8.802 -0.682 1
1 691 . 14 1 1 A 84 84 THR HA H 84 5.030 5.031 -0.001 1
1 696 . 14 1 1 A 84 84 THR CA C 84 60.100 61.047 -0.947 1
1 697 . 14 1 1 A 84 84 THR CB C 84 72.000 72.216 -0.216 1
1 699 . 14 1 1 A 84 84 THR N N 84 112.300 118.503 -6.203 1
1 700 . 14 1 1 A 85 85 ALA H H 85 8.840 8.711 0.129 1
1 701 . 14 1 1 A 85 85 ALA HA H 85 4.950 5.153 -0.203 1
1 705 . 14 1 1 A 85 85 ALA CA C 85 51.200 51.377 -0.177 1
1 706 . 14 1 1 A 85 85 ALA CB C 85 23.800 22.786 1.014 1
1 707 . 14 1 1 A 85 85 ALA N N 85 122.500 125.292 -2.792 1
1 708 . 14 1 1 A 86 86 ASP H H 86 8.510 8.874 -0.364 1
1 709 . 14 1 1 A 86 86 ASP HA H 86 5.200 5.274 -0.074 1
1 712 . 14 1 1 A 86 86 ASP CA C 86 53.400 52.740 0.660 1
1 713 . 14 1 1 A 86 86 ASP CB C 86 43.100 42.219 0.881 1
1 714 . 14 1 1 A 86 86 ASP N N 86 121.400 120.886 0.514 1
1 715 . 14 1 1 A 87 87 ILE H H 87 7.970 8.434 -0.464 1
1 716 . 14 1 1 A 87 87 ILE HA H 87 5.370 5.218 0.152 1
1 726 . 14 1 1 A 87 87 ILE CA C 87 58.200 59.246 -1.046 1
1 727 . 14 1 1 A 87 87 ILE CB C 87 41.200 40.247 0.953 1
1 731 . 14 1 1 A 87 87 ILE N N 87 111.200 120.354 -9.154 1
1 732 . 14 1 1 A 88 88 TYR H H 88 8.750 9.746 -0.996 1
1 733 . 14 1 1 A 88 88 TYR HA H 88 5.440 5.312 0.128 1
1 740 . 14 1 1 A 88 88 TYR CA C 88 56.900 56.277 0.623 1
1 741 . 14 1 1 A 88 88 TYR CB C 88 44.000 43.410 0.590 1
1 744 . 14 1 1 A 88 88 TYR N N 88 118.000 121.737 -3.737 1
1 745 . 14 1 1 A 89 89 LYS H H 89 9.590 9.754 -0.164 1
1 746 . 14 1 1 A 89 89 LYS HA H 89 5.170 5.212 -0.042 1
1 755 . 14 1 1 A 89 89 LYS CA C 89 54.400 54.150 0.250 1
1 756 . 14 1 1 A 89 89 LYS CB C 89 36.800 36.262 0.538 1
1 760 . 14 1 1 A 89 89 LYS N N 89 123.500 123.285 0.215 1
1 761 . 14 1 1 A 90 90 LYS H H 90 10.190 8.660 1.530 1
1 762 . 14 1 1 A 90 90 LYS HA H 90 3.810 3.201 0.609 1
1 771 . 14 1 1 A 90 90 LYS CA C 90 57.500 55.828 1.672 1
1 772 . 14 1 1 A 90 90 LYS CB C 90 32.700 32.911 -0.211 1
1 776 . 14 1 1 A 90 90 LYS N N 90 129.200 127.647 1.553 1
1 777 . 14 1 1 A 91 91 LYS H H 91 8.450 8.483 -0.033 1
1 778 . 14 1 1 A 91 91 LYS HA H 91 4.100 4.411 -0.311 1
1 787 . 14 1 1 A 91 91 LYS CA C 91 57.300 55.430 1.870 1
1 788 . 14 1 1 A 91 91 LYS CB C 91 33.100 33.685 -0.585 1
1 792 . 14 1 1 A 91 91 LYS N N 91 125.900 125.722 0.178 1
1 793 . 14 1 1 A 92 92 LEU H H 92 8.270 8.365 -0.095 1
1 794 . 14 1 1 A 92 92 LEU HA H 92 4.280 4.147 0.133 1
1 804 . 14 1 1 A 92 92 LEU CA C 92 54.600 56.287 -1.687 1
1 805 . 14 1 1 A 92 92 LEU CB C 92 42.100 41.906 0.194 1
1 809 . 14 1 1 A 92 92 LEU N N 92 123.200 121.246 1.954 1
1 810 . 14 1 1 A 93 93 GLU H H 93 8.310 7.816 0.494 1
1 811 . 14 1 1 A 93 93 GLU HA H 93 4.220 4.647 -0.427 1
1 816 . 14 1 1 A 93 93 GLU CA C 93 55.700 55.369 0.331 1
1 817 . 14 1 1 A 93 93 GLU CB C 93 30.200 30.209 -0.009 1
1 819 . 14 1 1 A 93 93 GLU N N 93 122.000 119.731 2.269 1
1 820 . 14 1 1 A 94 94 HIS H H 94 8.570 8.425 0.145 1
1 821 . 14 1 1 A 94 94 HIS HA H 94 4.630 5.093 -0.463 1
1 826 . 14 1 1 A 94 94 HIS CA C 94 55.000 55.205 -0.205 1
1 827 . 14 1 1 A 94 94 HIS CB C 94 28.900 31.484 -2.584 1
1 830 . 14 1 1 A 94 94 HIS N N 94 119.700 124.331 -4.631 1
1 831 . 14 1 1 A 95 95 HIS H H 95 8.610 8.597 0.013 1
1 832 . 14 1 1 A 95 95 HIS HA H 95 4.650 4.165 0.485 1
1 837 . 14 1 1 A 95 95 HIS CA C 95 55.200 58.924 -3.724 1
1 838 . 14 1 1 A 95 95 HIS CB C 95 28.900 29.733 -0.833 1
1 841 . 14 1 1 A 95 95 HIS N N 95 119.300 125.233 -5.933 1
1 842 . 14 1 1 A 96 96 HIS H H 96 8.680 7.798 0.882 1
1 843 . 14 1 1 A 96 96 HIS HA H 96 4.660 3.879 0.781 1
1 848 . 14 1 1 A 96 96 HIS CA C 96 55.200 56.594 -1.394 1
1 849 . 14 1 1 A 96 96 HIS CB C 96 29.100 27.852 1.248 1
1 852 . 14 1 1 A 96 96 HIS N N 96 120.100 117.239 2.861 1
1 853 . 14 1 1 A 97 97 HIS H H 97 8.580 8.120 0.460 1
1 854 . 14 1 1 A 97 97 HIS HA H 97 4.660 4.328 0.332 1
1 859 . 14 1 1 A 97 97 HIS CA C 97 55.400 57.806 -2.406 1
1 860 . 14 1 1 A 97 97 HIS CB C 97 29.200 31.061 -1.861 1
1 863 . 14 1 1 A 97 97 HIS N N 97 120.400 122.612 -2.212 1
1 864 . 14 1 1 A 98 98 HIS H H 98 8.390 7.923 0.467 1
1 865 . 14 1 1 A 98 98 HIS HA H 98 4.620 4.604 0.016 1
1 870 . 14 1 1 A 98 98 HIS CA C 98 55.500 54.213 1.287 1
1 871 . 14 1 1 A 98 98 HIS CB C 98 29.100 32.126 -3.026 1
1 1 . 15 1 1 A 22 22 ALA HA H 22 4.130 4.181 -0.051 1
1 5 . 15 1 1 A 22 22 ALA CA C 22 50.900 53.322 -2.422 1
1 6 . 15 1 1 A 22 22 ALA CB C 22 20.200 18.855 1.345 1
1 7 . 15 1 1 A 23 23 GLU H H 23 7.920 8.518 -0.598 1
1 8 . 15 1 1 A 23 23 GLU HA H 23 4.710 4.791 -0.081 1
1 13 . 15 1 1 A 23 23 GLU CA C 23 54.300 55.107 -0.807 1
1 14 . 15 1 1 A 23 23 GLU CB C 23 32.500 33.514 -1.014 1
1 16 . 15 1 1 A 23 23 GLU N N 23 117.600 122.389 -4.789 1
1 17 . 15 1 1 A 24 24 ILE H H 24 8.870 8.873 -0.003 1
1 18 . 15 1 1 A 24 24 ILE HA H 24 4.870 4.588 0.282 1
1 28 . 15 1 1 A 24 24 ILE CA C 24 60.200 60.446 -0.246 1
1 29 . 15 1 1 A 24 24 ILE CB C 24 38.100 38.316 -0.216 1
1 33 . 15 1 1 A 24 24 ILE N N 24 123.800 123.264 0.536 1
1 34 . 15 1 1 A 25 25 MET H H 25 8.720 8.620 0.100 1
1 35 . 15 1 1 A 25 25 MET HA H 25 4.760 4.935 -0.175 1
1 40 . 15 1 1 A 25 25 MET CA C 25 54.300 53.917 0.383 1
1 41 . 15 1 1 A 25 25 MET CB C 25 37.100 34.606 2.494 1
1 43 . 15 1 1 A 25 25 MET N N 25 127.100 125.610 1.490 1
1 44 . 15 1 1 A 26 26 LYS H H 26 9.190 8.819 0.371 1
1 45 . 15 1 1 A 26 26 LYS HA H 26 4.320 4.366 -0.046 1
1 54 . 15 1 1 A 26 26 LYS CA C 26 56.600 55.850 0.750 1
1 55 . 15 1 1 A 26 26 LYS CB C 26 32.900 33.329 -0.429 1
1 59 . 15 1 1 A 26 26 LYS N N 26 123.500 121.353 2.147 1
1 60 . 15 1 1 A 27 27 LYS H H 27 8.870 9.049 -0.179 1
1 61 . 15 1 1 A 27 27 LYS HA H 27 3.860 3.873 -0.013 1
1 70 . 15 1 1 A 27 27 LYS CA C 27 60.500 59.968 0.532 1
1 71 . 15 1 1 A 27 27 LYS CB C 27 32.400 32.481 -0.081 1
1 75 . 15 1 1 A 27 27 LYS N N 27 126.200 124.199 2.001 1
1 76 . 15 1 1 A 28 28 THR H H 28 8.110 7.921 0.189 1
1 77 . 15 1 1 A 28 28 THR HA H 28 4.130 4.016 0.114 1
1 82 . 15 1 1 A 28 28 THR CA C 28 64.600 65.229 -0.629 1
1 83 . 15 1 1 A 28 28 THR CB C 28 68.000 68.656 -0.656 1
1 85 . 15 1 1 A 28 28 THR N N 28 107.100 114.004 -6.904 1
1 86 . 15 1 1 A 29 29 ASP H H 29 6.770 8.054 -1.284 1
1 87 . 15 1 1 A 29 29 ASP HA H 29 4.580 4.341 0.239 1
1 90 . 15 1 1 A 29 29 ASP CA C 29 56.600 56.978 -0.378 1
1 91 . 15 1 1 A 29 29 ASP CB C 29 40.600 40.816 -0.216 1
1 92 . 15 1 1 A 29 29 ASP N N 29 119.500 121.378 -1.878 1
1 93 . 15 1 1 A 30 30 PHE H H 30 8.630 9.046 -0.416 1
1 94 . 15 1 1 A 30 30 PHE HA H 30 3.930 4.055 -0.125 1
1 102 . 15 1 1 A 30 30 PHE CA C 30 60.800 60.650 0.150 1
1 103 . 15 1 1 A 30 30 PHE CB C 30 38.900 39.045 -0.145 1
1 107 . 15 1 1 A 30 30 PHE N N 30 123.300 120.538 2.762 1
1 108 . 15 1 1 A 31 31 ASP H H 31 8.650 8.131 0.519 1
1 109 . 15 1 1 A 31 31 ASP HA H 31 4.150 3.890 0.260 1
1 112 . 15 1 1 A 31 31 ASP CA C 31 57.000 57.307 -0.307 1
1 113 . 15 1 1 A 31 31 ASP CB C 31 39.800 41.425 -1.625 1
1 114 . 15 1 1 A 31 31 ASP N N 31 117.000 118.854 -1.854 1
1 115 . 15 1 1 A 32 32 LYS H H 32 6.930 7.632 -0.702 1
1 116 . 15 1 1 A 32 32 LYS HA H 32 4.110 4.030 0.080 1
1 125 . 15 1 1 A 32 32 LYS CA C 32 58.300 59.209 -0.909 1
1 126 . 15 1 1 A 32 32 LYS CB C 32 33.100 32.629 0.471 1
1 130 . 15 1 1 A 32 32 LYS N N 32 114.800 119.229 -4.429 1
1 131 . 15 1 1 A 33 33 VAL H H 33 7.400 8.112 -0.712 1
1 132 . 15 1 1 A 33 33 VAL HA H 33 4.620 4.068 0.552 1
1 140 . 15 1 1 A 33 33 VAL CA C 33 60.100 64.275 -4.175 1
1 141 . 15 1 1 A 33 33 VAL CB C 33 32.300 31.070 1.230 1
1 144 . 15 1 1 A 33 33 VAL N N 33 109.100 114.900 -5.800 1
1 145 . 15 1 1 A 34 34 ALA H H 34 6.710 7.875 -1.165 1
1 146 . 15 1 1 A 34 34 ALA HA H 34 3.010 3.944 -0.934 1
1 150 . 15 1 1 A 34 34 ALA CA C 34 55.100 53.883 1.217 1
1 151 . 15 1 1 A 34 34 ALA CB C 34 19.200 17.945 1.255 1
1 152 . 15 1 1 A 34 34 ALA N N 34 124.300 124.974 -0.674 1
1 153 . 15 1 1 A 35 35 SER H H 35 8.120 7.406 0.714 1
1 154 . 15 1 1 A 35 35 SER HA H 35 4.320 4.284 0.036 1
1 157 . 15 1 1 A 35 35 SER CA C 35 60.400 60.539 -0.139 1
1 158 . 15 1 1 A 35 35 SER CB C 35 62.400 63.120 -0.720 1
1 159 . 15 1 1 A 35 35 SER N N 35 110.400 112.194 -1.794 1
1 160 . 15 1 1 A 36 36 GLU H H 36 8.300 8.072 0.228 1
1 161 . 15 1 1 A 36 36 GLU HA H 36 4.270 4.467 -0.197 1
1 166 . 15 1 1 A 36 36 GLU CA C 36 55.700 56.084 -0.384 1
1 167 . 15 1 1 A 36 36 GLU CB C 36 28.900 30.978 -2.078 1
1 169 . 15 1 1 A 36 36 GLU N N 36 119.200 117.877 1.323 1
1 170 . 15 1 1 A 37 37 TYR H H 37 7.920 7.755 0.165 1
1 171 . 15 1 1 A 37 37 TYR HA H 37 5.150 5.247 -0.097 1
1 178 . 15 1 1 A 37 37 TYR CA C 37 57.900 56.498 1.402 1
1 179 . 15 1 1 A 37 37 TYR CB C 37 44.100 43.187 0.913 1
1 182 . 15 1 1 A 37 37 TYR N N 37 117.200 119.233 -2.033 1
1 183 . 15 1 1 A 38 38 THR H H 38 9.480 9.311 0.169 1
1 184 . 15 1 1 A 38 38 THR HA H 38 4.840 5.138 -0.298 1
1 189 . 15 1 1 A 38 38 THR CA C 38 60.400 61.266 -0.866 1
1 190 . 15 1 1 A 38 38 THR CB C 38 71.200 73.015 -1.815 1
1 192 . 15 1 1 A 38 38 THR N N 38 115.400 115.467 -0.067 1
1 193 . 15 1 1 A 39 39 LYS H H 39 9.290 8.837 0.453 1
1 194 . 15 1 1 A 39 39 LYS HA H 39 3.880 3.866 0.014 1
1 203 . 15 1 1 A 39 39 LYS CA C 39 57.500 56.572 0.928 1
1 204 . 15 1 1 A 39 39 LYS CB C 39 32.300 32.109 0.191 1
1 208 . 15 1 1 A 39 39 LYS N N 39 130.400 128.976 1.424 1
1 209 . 15 1 1 A 40 40 ILE H H 40 8.820 8.315 0.505 1
1 210 . 15 1 1 A 40 40 ILE HA H 40 4.550 4.627 -0.077 1
1 220 . 15 1 1 A 40 40 ILE CA C 40 60.900 60.348 0.552 1
1 221 . 15 1 1 A 40 40 ILE CB C 40 39.200 38.624 0.576 1
1 225 . 15 1 1 A 40 40 ILE N N 40 121.900 122.967 -1.067 1
1 226 . 15 1 1 A 41 41 GLY H H 41 7.130 7.082 0.048 1
1 227 . 15 1 1 A 41 41 GLY HA2 H 41 3.950 4.012 -0.062 1
1 228 . 15 1 1 A 41 41 GLY HA3 H 41 4.260 4.023 0.237 1
1 229 . 15 1 1 A 41 41 GLY CA C 41 45.100 43.888 1.212 1
1 230 . 15 1 1 A 41 41 GLY N N 41 107.400 109.782 -2.382 1
1 231 . 15 1 1 A 42 42 THR H H 42 8.210 8.161 0.049 1
1 232 . 15 1 1 A 42 42 THR HA H 42 5.230 5.002 0.228 1
1 237 . 15 1 1 A 42 42 THR CA C 42 60.900 61.488 -0.588 1
1 238 . 15 1 1 A 42 42 THR CB C 42 72.300 71.064 1.236 1
1 240 . 15 1 1 A 42 42 THR N N 42 115.100 115.542 -0.442 1
1 241 . 15 1 1 A 43 43 ILE H H 43 9.130 9.503 -0.373 1
1 242 . 15 1 1 A 43 43 ILE HA H 43 4.790 5.087 -0.297 1
1 252 . 15 1 1 A 43 43 ILE CA C 43 59.400 58.940 0.460 1
1 253 . 15 1 1 A 43 43 ILE CB C 43 42.600 41.907 0.693 1
1 257 . 15 1 1 A 43 43 ILE N N 43 118.000 119.537 -1.537 1
1 258 . 15 1 1 A 44 44 SER H H 44 8.330 8.666 -0.336 1
1 259 . 15 1 1 A 44 44 SER HA H 44 5.250 5.019 0.231 1
1 262 . 15 1 1 A 44 44 SER CA C 44 56.700 56.960 -0.260 1
1 263 . 15 1 1 A 44 44 SER CB C 44 66.000 64.688 1.312 1
1 264 . 15 1 1 A 44 44 SER N N 44 113.300 117.621 -4.321 1
1 265 . 15 1 1 A 45 45 THR H H 45 8.380 8.268 0.112 1
1 266 . 15 1 1 A 45 45 THR HA H 45 4.550 5.195 -0.645 1
1 271 . 15 1 1 A 45 45 THR CA C 45 60.900 60.570 0.330 1
1 272 . 15 1 1 A 45 45 THR CB C 45 70.000 71.245 -1.245 1
1 274 . 15 1 1 A 45 45 THR N N 45 113.300 114.259 -0.959 1
1 275 . 15 1 1 A 46 46 THR H H 46 8.540 8.499 0.041 1
1 276 . 15 1 1 A 46 46 THR HA H 46 4.400 5.082 -0.682 1
1 281 . 15 1 1 A 46 46 THR CA C 46 62.000 61.235 0.765 1
1 282 . 15 1 1 A 46 46 THR CB C 46 69.300 71.632 -2.332 1
1 284 . 15 1 1 A 46 46 THR N N 46 117.700 118.265 -0.565 1
1 285 . 15 1 1 A 47 47 GLY H H 47 8.320 7.841 0.479 1
1 286 . 15 1 1 A 47 47 GLY HA2 H 47 3.890 4.258 -0.368 1
1 287 . 15 1 1 A 47 47 GLY HA3 H 47 3.980 4.266 -0.286 1
1 288 . 15 1 1 A 47 47 GLY CA C 47 44.800 46.167 -1.367 1
1 289 . 15 1 1 A 47 47 GLY N N 47 111.700 111.454 0.246 1
1 290 . 15 1 1 A 48 48 GLU H H 48 8.430 8.781 -0.351 1
1 291 . 15 1 1 A 48 48 GLU HA H 48 4.390 5.077 -0.687 1
1 296 . 15 1 1 A 48 48 GLU CA C 48 55.600 55.596 0.004 1
1 297 . 15 1 1 A 48 48 GLU CB C 48 29.400 31.105 -1.705 1
1 299 . 15 1 1 A 48 48 GLU N N 48 120.100 120.326 -0.226 1
1 300 . 15 1 1 A 49 49 MET H H 49 8.390 8.620 -0.230 1
1 301 . 15 1 1 A 49 49 MET HA H 49 4.700 5.089 -0.389 1
1 306 . 15 1 1 A 49 49 MET CA C 49 55.000 54.077 0.923 1
1 307 . 15 1 1 A 49 49 MET CB C 49 35.900 37.833 -1.933 1
1 309 . 15 1 1 A 49 49 MET N N 49 120.000 123.983 -3.983 1
1 310 . 15 1 1 A 50 50 SER H H 50 9.020 8.771 0.249 1
1 311 . 15 1 1 A 50 50 SER HA H 50 4.780 4.794 -0.014 1
1 314 . 15 1 1 A 50 50 SER CA C 50 57.700 56.825 0.875 1
1 315 . 15 1 1 A 50 50 SER CB C 50 62.600 63.085 -0.485 1
1 316 . 15 1 1 A 50 50 SER N N 50 117.900 116.420 1.480 1
1 317 . 15 1 1 A 51 51 PRO HA H 51 4.240 4.282 -0.042 1
1 324 . 15 1 1 A 51 51 PRO CA C 51 66.000 66.075 -0.075 1
1 325 . 15 1 1 A 51 51 PRO CB C 51 31.800 31.758 0.042 1
1 328 . 15 1 1 A 52 52 LEU H H 52 8.160 7.564 0.596 1
1 329 . 15 1 1 A 52 52 LEU HA H 52 4.110 3.984 0.126 1
1 339 . 15 1 1 A 52 52 LEU CA C 52 57.900 57.513 0.387 1
1 340 . 15 1 1 A 52 52 LEU CB C 52 41.400 41.151 0.249 1
1 344 . 15 1 1 A 52 52 LEU N N 52 117.600 116.190 1.410 1
1 345 . 15 1 1 A 53 53 ASP H H 53 7.510 8.161 -0.651 1
1 346 . 15 1 1 A 53 53 ASP HA H 53 4.420 4.307 0.113 1
1 349 . 15 1 1 A 53 53 ASP CA C 53 56.600 57.354 -0.754 1
1 350 . 15 1 1 A 53 53 ASP CB C 53 39.800 40.257 -0.457 1
1 351 . 15 1 1 A 53 53 ASP N N 53 119.900 120.155 -0.255 1
1 352 . 15 1 1 A 54 54 ALA H H 54 8.800 8.121 0.679 1
1 353 . 15 1 1 A 54 54 ALA HA H 54 4.210 4.089 0.121 1
1 357 . 15 1 1 A 54 54 ALA CA C 54 54.700 55.118 -0.418 1
1 358 . 15 1 1 A 54 54 ALA CB C 54 18.200 18.703 -0.503 1
1 359 . 15 1 1 A 54 54 ALA N N 54 123.400 122.232 1.168 1
1 360 . 15 1 1 A 55 55 ARG H H 55 7.860 8.014 -0.154 1
1 361 . 15 1 1 A 55 55 ARG HA H 55 3.730 3.975 -0.245 1
1 368 . 15 1 1 A 55 55 ARG CA C 55 60.200 59.695 0.505 1
1 369 . 15 1 1 A 55 55 ARG CB C 55 30.100 30.063 0.037 1
1 372 . 15 1 1 A 55 55 ARG N N 55 117.100 117.575 -0.475 1
1 373 . 15 1 1 A 56 56 GLU H H 56 7.630 8.803 -1.173 1
1 374 . 15 1 1 A 56 56 GLU HA H 56 4.000 4.038 -0.038 1
1 379 . 15 1 1 A 56 56 GLU CA C 56 58.800 59.438 -0.638 1
1 380 . 15 1 1 A 56 56 GLU CB C 56 28.300 29.304 -1.004 1
1 382 . 15 1 1 A 56 56 GLU N N 56 115.900 119.891 -3.991 1
1 383 . 15 1 1 A 57 57 ASP H H 57 8.120 8.010 0.110 1
1 384 . 15 1 1 A 57 57 ASP HA H 57 4.380 4.393 -0.013 1
1 387 . 15 1 1 A 57 57 ASP CA C 57 57.400 56.843 0.557 1
1 388 . 15 1 1 A 57 57 ASP CB C 57 42.500 40.893 1.607 1
1 389 . 15 1 1 A 57 57 ASP N N 57 120.200 119.376 0.824 1
1 390 . 15 1 1 A 58 58 LEU H H 58 8.160 8.197 -0.037 1
1 391 . 15 1 1 A 58 58 LEU HA H 58 3.860 4.028 -0.168 1
1 401 . 15 1 1 A 58 58 LEU CA C 58 57.500 58.008 -0.508 1
1 402 . 15 1 1 A 58 58 LEU CB C 58 41.400 41.985 -0.585 1
1 406 . 15 1 1 A 58 58 LEU N N 58 117.300 119.410 -2.110 1
1 407 . 15 1 1 A 59 59 ILE H H 59 8.020 8.581 -0.561 1
1 408 . 15 1 1 A 59 59 ILE HA H 59 3.300 3.478 -0.178 1
1 418 . 15 1 1 A 59 59 ILE CA C 59 65.700 65.439 0.261 1
1 419 . 15 1 1 A 59 59 ILE CB C 59 37.500 37.532 -0.032 1
1 423 . 15 1 1 A 59 59 ILE N N 59 118.600 119.597 -0.997 1
1 424 . 15 1 1 A 60 60 LYS H H 60 7.890 8.509 -0.619 1
1 425 . 15 1 1 A 60 60 LYS HA H 60 4.090 4.005 0.085 1
1 434 . 15 1 1 A 60 60 LYS CA C 60 59.800 59.054 0.746 1
1 435 . 15 1 1 A 60 60 LYS CB C 60 31.900 32.046 -0.146 1
1 439 . 15 1 1 A 60 60 LYS N N 60 119.400 120.459 -1.059 1
1 440 . 15 1 1 A 61 61 LYS H H 61 8.080 7.970 0.110 1
1 441 . 15 1 1 A 61 61 LYS HA H 61 3.980 4.034 -0.054 1
1 450 . 15 1 1 A 61 61 LYS CA C 61 59.200 58.898 0.302 1
1 451 . 15 1 1 A 61 61 LYS CB C 61 33.500 32.331 1.169 1
1 455 . 15 1 1 A 61 61 LYS N N 61 119.200 119.728 -0.528 1
1 456 . 15 1 1 A 62 62 ALA H H 62 8.490 8.284 0.206 1
1 457 . 15 1 1 A 62 62 ALA HA H 62 3.770 4.041 -0.271 1
1 461 . 15 1 1 A 62 62 ALA CA C 62 54.900 54.961 -0.061 1
1 462 . 15 1 1 A 62 62 ALA CB C 62 19.100 18.541 0.559 1
1 463 . 15 1 1 A 62 62 ALA N N 62 122.200 122.064 0.136 1
1 464 . 15 1 1 A 63 63 ASP H H 63 8.850 8.024 0.826 1
1 465 . 15 1 1 A 63 63 ASP HA H 63 4.590 4.291 0.299 1
1 468 . 15 1 1 A 63 63 ASP CA C 63 56.900 57.160 -0.260 1
1 469 . 15 1 1 A 63 63 ASP CB C 63 39.000 41.094 -2.094 1
1 470 . 15 1 1 A 63 63 ASP N N 63 120.200 118.012 2.188 1
1 471 . 15 1 1 A 64 64 GLU H H 64 8.050 8.502 -0.452 1
1 472 . 15 1 1 A 64 64 GLU HA H 64 4.070 3.888 0.182 1
1 477 . 15 1 1 A 64 64 GLU CA C 64 58.800 59.137 -0.337 1
1 478 . 15 1 1 A 64 64 GLU CB C 64 29.000 29.454 -0.454 1
1 480 . 15 1 1 A 64 64 GLU N N 64 121.300 118.755 2.545 1
1 481 . 15 1 1 A 65 65 LYS H H 65 7.180 8.163 -0.983 1
1 482 . 15 1 1 A 65 65 LYS HA H 65 4.310 4.164 0.146 1
1 491 . 15 1 1 A 65 65 LYS CA C 65 54.800 57.343 -2.543 1
1 492 . 15 1 1 A 65 65 LYS CB C 65 33.000 33.303 -0.303 1
1 496 . 15 1 1 A 65 65 LYS N N 65 115.600 118.348 -2.748 1
1 497 . 15 1 1 A 66 66 GLY H H 66 7.870 7.656 0.214 1
1 498 . 15 1 1 A 66 66 GLY HA2 H 66 3.860 3.162 0.698 1
1 499 . 15 1 1 A 66 66 GLY HA3 H 66 3.980 3.786 0.194 1
1 500 . 15 1 1 A 66 66 GLY CA C 66 45.700 44.773 0.927 1
1 501 . 15 1 1 A 66 66 GLY N N 66 107.500 107.241 0.259 1
1 502 . 15 1 1 A 67 67 ALA H H 67 7.920 7.901 0.019 1
1 503 . 15 1 1 A 67 67 ALA HA H 67 4.020 4.390 -0.370 1
1 507 . 15 1 1 A 67 67 ALA CA C 67 51.700 52.509 -0.809 1
1 508 . 15 1 1 A 67 67 ALA CB C 67 21.100 19.933 1.167 1
1 509 . 15 1 1 A 67 67 ALA N N 67 118.900 122.630 -3.730 1
1 510 . 15 1 1 A 68 68 ASP H H 68 8.790 9.699 -0.909 1
1 511 . 15 1 1 A 68 68 ASP HA H 68 5.070 5.049 0.021 1
1 514 . 15 1 1 A 68 68 ASP CA C 68 56.500 55.737 0.763 1
1 515 . 15 1 1 A 68 68 ASP CB C 68 44.900 43.475 1.425 1
1 516 . 15 1 1 A 68 68 ASP N N 68 116.500 120.143 -3.643 1
1 517 . 15 1 1 A 69 69 VAL H H 69 8.070 8.233 -0.163 1
1 518 . 15 1 1 A 69 69 VAL HA H 69 5.130 4.916 0.214 1
1 526 . 15 1 1 A 69 69 VAL CA C 69 60.300 60.560 -0.260 1
1 527 . 15 1 1 A 69 69 VAL CB C 69 37.400 35.332 2.068 1
1 530 . 15 1 1 A 69 69 VAL N N 69 118.400 118.439 -0.039 1
1 531 . 15 1 1 A 70 70 VAL H H 70 8.720 9.109 -0.389 1
1 532 . 15 1 1 A 70 70 VAL HA H 70 4.550 5.028 -0.478 1
1 540 . 15 1 1 A 70 70 VAL CA C 70 59.800 59.345 0.455 1
1 541 . 15 1 1 A 70 70 VAL CB C 70 34.200 34.691 -0.491 1
1 544 . 15 1 1 A 70 70 VAL N N 70 127.300 121.588 5.712 1
1 545 . 15 1 1 A 71 71 VAL H H 71 8.890 8.853 0.037 1
1 546 . 15 1 1 A 71 71 VAL HA H 71 4.550 4.509 0.041 1
1 554 . 15 1 1 A 71 71 VAL CA C 71 60.800 61.359 -0.559 1
1 555 . 15 1 1 A 71 71 VAL CB C 71 34.000 33.730 0.270 1
1 558 . 15 1 1 A 71 71 VAL N N 71 126.700 122.890 3.810 1
1 559 . 15 1 1 A 72 72 LEU H H 72 8.800 8.720 0.080 1
1 560 . 15 1 1 A 72 72 LEU HA H 72 4.440 4.409 0.031 1
1 570 . 15 1 1 A 72 72 LEU CA C 72 55.700 54.320 1.380 1
1 571 . 15 1 1 A 72 72 LEU CB C 72 41.500 40.462 1.038 1
1 575 . 15 1 1 A 72 72 LEU N N 72 127.400 128.887 -1.487 1
1 576 . 15 1 1 A 73 73 THR H H 73 8.630 8.097 0.533 1
1 577 . 15 1 1 A 73 73 THR HA H 73 4.430 4.172 0.258 1
1 582 . 15 1 1 A 73 73 THR CA C 73 61.500 64.332 -2.832 1
1 583 . 15 1 1 A 73 73 THR CB C 73 69.400 69.802 -0.402 1
1 585 . 15 1 1 A 73 73 THR N N 73 114.000 116.778 -2.778 1
1 586 . 15 1 1 A 74 74 SER H H 74 8.130 8.547 -0.417 1
1 587 . 15 1 1 A 74 74 SER HA H 74 4.540 4.386 0.154 1
1 590 . 15 1 1 A 74 74 SER CA C 74 58.000 60.662 -2.662 1
1 591 . 15 1 1 A 74 74 SER CB C 74 63.800 61.981 1.819 1
1 592 . 15 1 1 A 74 74 SER N N 74 116.000 114.202 1.798 1
1 593 . 15 1 1 A 75 75 GLY H H 75 8.570 8.819 -0.249 1
1 594 . 15 1 1 A 75 75 GLY HA2 H 75 4.040 4.270 -0.230 1
1 595 . 15 1 1 A 75 75 GLY HA3 H 75 4.040 4.317 -0.277 1
1 596 . 15 1 1 A 75 75 GLY CA C 75 45.100 44.905 0.195 1
1 597 . 15 1 1 A 75 75 GLY N N 75 109.800 109.417 0.383 1
1 598 . 15 1 1 A 76 76 GLN H H 76 8.390 8.441 -0.051 1
1 599 . 15 1 1 A 76 76 GLN HA H 76 4.490 4.569 -0.079 1
1 606 . 15 1 1 A 76 76 GLN CA C 76 55.900 54.992 0.908 1
1 607 . 15 1 1 A 76 76 GLN CB C 76 29.600 29.327 0.273 1
1 609 . 15 1 1 A 76 76 GLN N N 76 119.200 120.776 -1.576 1
1 611 . 15 1 1 A 77 77 THR H H 77 8.100 7.661 0.439 1
1 612 . 15 1 1 A 77 77 THR HA H 77 4.420 4.704 -0.284 1
1 617 . 15 1 1 A 77 77 THR CA C 77 61.300 61.672 -0.372 1
1 618 . 15 1 1 A 77 77 THR CB C 77 69.700 70.879 -1.179 1
1 620 . 15 1 1 A 77 77 THR N N 77 113.000 114.908 -1.908 1
1 621 . 15 1 1 A 78 78 GLU H H 78 8.450 8.732 -0.282 1
1 622 . 15 1 1 A 78 78 GLU HA H 78 4.250 4.359 -0.109 1
1 627 . 15 1 1 A 78 78 GLU CA C 78 56.900 57.910 -1.010 1
1 628 . 15 1 1 A 78 78 GLU CB C 78 29.500 29.944 -0.444 1
1 630 . 15 1 1 A 78 78 GLU N N 78 120.700 126.513 -5.813 1
1 631 . 15 1 1 A 79 79 ASN H H 79 8.320 8.145 0.175 1
1 632 . 15 1 1 A 79 79 ASN HA H 79 4.600 4.375 0.225 1
1 637 . 15 1 1 A 79 79 ASN CA C 79 53.700 56.462 -2.762 1
1 638 . 15 1 1 A 79 79 ASN CB C 79 38.600 39.184 -0.584 1
1 639 . 15 1 1 A 79 79 ASN N N 79 117.000 118.657 -1.657 1
1 641 . 15 1 1 A 80 80 LYS H H 80 7.910 7.621 0.289 1
1 642 . 15 1 1 A 80 80 LYS HA H 80 4.300 4.445 -0.145 1
1 651 . 15 1 1 A 80 80 LYS CA C 80 56.000 55.224 0.776 1
1 652 . 15 1 1 A 80 80 LYS CB C 80 33.300 32.322 0.978 1
1 656 . 15 1 1 A 80 80 LYS N N 80 118.800 113.820 4.980 1
1 657 . 15 1 1 A 81 81 ILE H H 81 8.340 8.042 0.298 1
1 658 . 15 1 1 A 81 81 ILE HA H 81 4.300 4.707 -0.407 1
1 668 . 15 1 1 A 81 81 ILE CA C 81 60.500 63.116 -2.616 1
1 669 . 15 1 1 A 81 81 ILE CB C 81 39.800 36.982 2.818 1
1 673 . 15 1 1 A 81 81 ILE N N 81 119.600 116.401 3.199 1
1 674 . 15 1 1 A 82 82 HIS H H 82 8.470 8.491 -0.021 1
1 675 . 15 1 1 A 82 82 HIS HA H 82 4.780 5.029 -0.249 1
1 680 . 15 1 1 A 82 82 HIS CA C 82 54.700 55.207 -0.507 1
1 681 . 15 1 1 A 82 82 HIS CB C 82 28.900 30.394 -1.494 1
1 684 . 15 1 1 A 82 82 HIS N N 82 121.600 125.247 -3.647 1
1 685 . 15 1 1 A 83 83 GLY H H 83 8.340 7.811 0.529 1
1 686 . 15 1 1 A 83 83 GLY HA2 H 83 3.690 4.056 -0.366 1
1 687 . 15 1 1 A 83 83 GLY HA3 H 83 4.190 4.058 0.132 1
1 688 . 15 1 1 A 83 83 GLY CA C 83 45.000 44.148 0.852 1
1 689 . 15 1 1 A 83 83 GLY N N 83 111.600 110.166 1.434 1
1 690 . 15 1 1 A 84 84 THR H H 84 8.120 8.707 -0.587 1
1 691 . 15 1 1 A 84 84 THR HA H 84 5.030 5.379 -0.349 1
1 696 . 15 1 1 A 84 84 THR CA C 84 60.100 59.382 0.718 1
1 697 . 15 1 1 A 84 84 THR CB C 84 72.000 71.915 0.085 1
1 699 . 15 1 1 A 84 84 THR N N 84 112.300 112.643 -0.343 1
1 700 . 15 1 1 A 85 85 ALA H H 85 8.840 9.197 -0.357 1
1 701 . 15 1 1 A 85 85 ALA HA H 85 4.950 5.437 -0.487 1
1 705 . 15 1 1 A 85 85 ALA CA C 85 51.200 50.568 0.632 1
1 706 . 15 1 1 A 85 85 ALA CB C 85 23.800 22.631 1.169 1
1 707 . 15 1 1 A 85 85 ALA N N 85 122.500 123.735 -1.235 1
1 708 . 15 1 1 A 86 86 ASP H H 86 8.510 9.224 -0.714 1
1 709 . 15 1 1 A 86 86 ASP HA H 86 5.200 5.406 -0.206 1
1 712 . 15 1 1 A 86 86 ASP CA C 86 53.400 52.747 0.653 1
1 713 . 15 1 1 A 86 86 ASP CB C 86 43.100 44.465 -1.365 1
1 714 . 15 1 1 A 86 86 ASP N N 86 121.400 123.028 -1.628 1
1 715 . 15 1 1 A 87 87 ILE H H 87 7.970 8.650 -0.680 1
1 716 . 15 1 1 A 87 87 ILE HA H 87 5.370 5.361 0.009 1
1 726 . 15 1 1 A 87 87 ILE CA C 87 58.200 59.299 -1.099 1
1 727 . 15 1 1 A 87 87 ILE CB C 87 41.200 40.873 0.327 1
1 731 . 15 1 1 A 87 87 ILE N N 87 111.200 120.318 -9.118 1
1 732 . 15 1 1 A 88 88 TYR H H 88 8.750 9.725 -0.975 1
1 733 . 15 1 1 A 88 88 TYR HA H 88 5.440 5.486 -0.046 1
1 740 . 15 1 1 A 88 88 TYR CA C 88 56.900 56.253 0.647 1
1 741 . 15 1 1 A 88 88 TYR CB C 88 44.000 43.532 0.468 1
1 744 . 15 1 1 A 88 88 TYR N N 88 118.000 121.410 -3.410 1
1 745 . 15 1 1 A 89 89 LYS H H 89 9.590 9.348 0.242 1
1 746 . 15 1 1 A 89 89 LYS HA H 89 5.170 5.051 0.119 1
1 755 . 15 1 1 A 89 89 LYS CA C 89 54.400 54.270 0.130 1
1 756 . 15 1 1 A 89 89 LYS CB C 89 36.800 35.401 1.399 1
1 760 . 15 1 1 A 89 89 LYS N N 89 123.500 121.029 2.471 1
1 761 . 15 1 1 A 90 90 LYS H H 90 10.190 8.538 1.652 1
1 762 . 15 1 1 A 90 90 LYS HA H 90 3.810 3.444 0.366 1
1 771 . 15 1 1 A 90 90 LYS CA C 90 57.500 55.564 1.936 1
1 772 . 15 1 1 A 90 90 LYS CB C 90 32.700 32.672 0.028 1
1 776 . 15 1 1 A 90 90 LYS N N 90 129.200 120.594 8.606 1
1 777 . 15 1 1 A 91 91 LYS H H 91 8.450 8.044 0.406 1
1 778 . 15 1 1 A 91 91 LYS HA H 91 4.100 4.629 -0.529 1
1 787 . 15 1 1 A 91 91 LYS CA C 91 57.300 54.425 2.875 1
1 788 . 15 1 1 A 91 91 LYS CB C 91 33.100 35.121 -2.021 1
1 792 . 15 1 1 A 91 91 LYS N N 91 125.900 120.955 4.945 1
1 793 . 15 1 1 A 92 92 LEU H H 92 8.270 8.407 -0.137 1
1 794 . 15 1 1 A 92 92 LEU HA H 92 4.280 4.515 -0.235 1
1 804 . 15 1 1 A 92 92 LEU CA C 92 54.600 55.223 -0.623 1
1 805 . 15 1 1 A 92 92 LEU CB C 92 42.100 42.206 -0.106 1
1 809 . 15 1 1 A 92 92 LEU N N 92 123.200 121.202 1.998 1
1 810 . 15 1 1 A 93 93 GLU H H 93 8.310 7.995 0.315 1
1 811 . 15 1 1 A 93 93 GLU HA H 93 4.220 4.316 -0.096 1
1 816 . 15 1 1 A 93 93 GLU CA C 93 55.700 56.556 -0.856 1
1 817 . 15 1 1 A 93 93 GLU CB C 93 30.200 29.910 0.290 1
1 819 . 15 1 1 A 93 93 GLU N N 93 122.000 117.323 4.677 1
1 820 . 15 1 1 A 94 94 HIS H H 94 8.570 7.557 1.013 1
1 821 . 15 1 1 A 94 94 HIS HA H 94 4.630 4.521 0.109 1
1 826 . 15 1 1 A 94 94 HIS CA C 94 55.000 56.150 -1.150 1
1 827 . 15 1 1 A 94 94 HIS CB C 94 28.900 30.741 -1.841 1
1 830 . 15 1 1 A 94 94 HIS N N 94 119.700 119.541 0.159 1
1 831 . 15 1 1 A 95 95 HIS H H 95 8.610 9.180 -0.570 1
1 832 . 15 1 1 A 95 95 HIS HA H 95 4.650 3.996 0.654 1
1 837 . 15 1 1 A 95 95 HIS CA C 95 55.200 60.176 -4.976 1
1 838 . 15 1 1 A 95 95 HIS CB C 95 28.900 30.581 -1.681 1
1 841 . 15 1 1 A 95 95 HIS N N 95 119.300 122.546 -3.246 1
1 842 . 15 1 1 A 96 96 HIS H H 96 8.680 7.864 0.816 1
1 843 . 15 1 1 A 96 96 HIS HA H 96 4.660 4.603 0.057 1
1 848 . 15 1 1 A 96 96 HIS CA C 96 55.200 56.767 -1.567 1
1 849 . 15 1 1 A 96 96 HIS CB C 96 29.100 31.852 -2.752 1
1 852 . 15 1 1 A 96 96 HIS N N 96 120.100 114.341 5.759 1
1 853 . 15 1 1 A 97 97 HIS H H 97 8.580 8.343 0.237 1
1 854 . 15 1 1 A 97 97 HIS HA H 97 4.660 4.696 -0.036 1
1 859 . 15 1 1 A 97 97 HIS CA C 97 55.400 57.332 -1.932 1
1 860 . 15 1 1 A 97 97 HIS CB C 97 29.200 28.729 0.471 1
1 863 . 15 1 1 A 97 97 HIS N N 97 120.400 116.899 3.501 1
1 864 . 15 1 1 A 98 98 HIS H H 98 8.390 8.649 -0.259 1
1 865 . 15 1 1 A 98 98 HIS HA H 98 4.620 5.141 -0.521 1
1 870 . 15 1 1 A 98 98 HIS CA C 98 55.500 55.796 -0.296 1
1 871 . 15 1 1 A 98 98 HIS CB C 98 29.100 33.839 -4.739 1
1 1 . 16 1 1 A 22 22 ALA HA H 22 4.130 5.441 -1.311 1
1 5 . 16 1 1 A 22 22 ALA CA C 22 50.900 52.330 -1.430 1
1 6 . 16 1 1 A 22 22 ALA CB C 22 20.200 19.369 0.831 1
1 7 . 16 1 1 A 23 23 GLU H H 23 7.920 8.535 -0.615 1
1 8 . 16 1 1 A 23 23 GLU HA H 23 4.710 4.765 -0.055 1
1 13 . 16 1 1 A 23 23 GLU CA C 23 54.300 55.351 -1.051 1
1 14 . 16 1 1 A 23 23 GLU CB C 23 32.500 33.716 -1.216 1
1 16 . 16 1 1 A 23 23 GLU N N 23 117.600 120.824 -3.224 1
1 17 . 16 1 1 A 24 24 ILE H H 24 8.870 8.604 0.266 1
1 18 . 16 1 1 A 24 24 ILE HA H 24 4.870 4.405 0.465 1
1 28 . 16 1 1 A 24 24 ILE CA C 24 60.200 60.118 0.082 1
1 29 . 16 1 1 A 24 24 ILE CB C 24 38.100 37.952 0.148 1
1 33 . 16 1 1 A 24 24 ILE N N 24 123.800 121.798 2.002 1
1 34 . 16 1 1 A 25 25 MET H H 25 8.720 8.833 -0.113 1
1 35 . 16 1 1 A 25 25 MET HA H 25 4.760 5.200 -0.440 1
1 40 . 16 1 1 A 25 25 MET CA C 25 54.300 53.863 0.437 1
1 41 . 16 1 1 A 25 25 MET CB C 25 37.100 35.658 1.442 1
1 43 . 16 1 1 A 25 25 MET N N 25 127.100 124.385 2.715 1
1 44 . 16 1 1 A 26 26 LYS H H 26 9.190 8.753 0.437 1
1 45 . 16 1 1 A 26 26 LYS HA H 26 4.320 4.359 -0.039 1
1 54 . 16 1 1 A 26 26 LYS CA C 26 56.600 55.808 0.792 1
1 55 . 16 1 1 A 26 26 LYS CB C 26 32.900 33.360 -0.460 1
1 59 . 16 1 1 A 26 26 LYS N N 26 123.500 121.311 2.189 1
1 60 . 16 1 1 A 27 27 LYS H H 27 8.870 8.902 -0.032 1
1 61 . 16 1 1 A 27 27 LYS HA H 27 3.860 4.056 -0.196 1
1 70 . 16 1 1 A 27 27 LYS CA C 27 60.500 59.530 0.970 1
1 71 . 16 1 1 A 27 27 LYS CB C 27 32.400 32.008 0.392 1
1 75 . 16 1 1 A 27 27 LYS N N 27 126.200 123.012 3.188 1
1 76 . 16 1 1 A 28 28 THR H H 28 8.110 7.876 0.234 1
1 77 . 16 1 1 A 28 28 THR HA H 28 4.130 4.060 0.070 1
1 82 . 16 1 1 A 28 28 THR CA C 28 64.600 65.325 -0.725 1
1 83 . 16 1 1 A 28 28 THR CB C 28 68.000 68.652 -0.652 1
1 85 . 16 1 1 A 28 28 THR N N 28 107.100 115.332 -8.232 1
1 86 . 16 1 1 A 29 29 ASP H H 29 6.770 8.209 -1.439 1
1 87 . 16 1 1 A 29 29 ASP HA H 29 4.580 4.383 0.197 1
1 90 . 16 1 1 A 29 29 ASP CA C 29 56.600 57.258 -0.658 1
1 91 . 16 1 1 A 29 29 ASP CB C 29 40.600 40.372 0.228 1
1 92 . 16 1 1 A 29 29 ASP N N 29 119.500 121.900 -2.400 1
1 93 . 16 1 1 A 30 30 PHE H H 30 8.630 9.035 -0.405 1
1 94 . 16 1 1 A 30 30 PHE HA H 30 3.930 3.927 0.003 1
1 102 . 16 1 1 A 30 30 PHE CA C 30 60.800 60.856 -0.056 1
1 103 . 16 1 1 A 30 30 PHE CB C 30 38.900 38.913 -0.013 1
1 107 . 16 1 1 A 30 30 PHE N N 30 123.300 122.263 1.037 1
1 108 . 16 1 1 A 31 31 ASP H H 31 8.650 8.365 0.285 1
1 109 . 16 1 1 A 31 31 ASP HA H 31 4.150 3.969 0.181 1
1 112 . 16 1 1 A 31 31 ASP CA C 31 57.000 57.371 -0.371 1
1 113 . 16 1 1 A 31 31 ASP CB C 31 39.800 41.522 -1.722 1
1 114 . 16 1 1 A 31 31 ASP N N 31 117.000 119.045 -2.045 1
1 115 . 16 1 1 A 32 32 LYS H H 32 6.930 7.573 -0.643 1
1 116 . 16 1 1 A 32 32 LYS HA H 32 4.110 4.033 0.077 1
1 125 . 16 1 1 A 32 32 LYS CA C 32 58.300 59.300 -1.000 1
1 126 . 16 1 1 A 32 32 LYS CB C 32 33.100 32.573 0.527 1
1 130 . 16 1 1 A 32 32 LYS N N 32 114.800 119.208 -4.408 1
1 131 . 16 1 1 A 33 33 VAL H H 33 7.400 7.996 -0.596 1
1 132 . 16 1 1 A 33 33 VAL HA H 33 4.620 3.914 0.706 1
1 140 . 16 1 1 A 33 33 VAL CA C 33 60.100 64.140 -4.040 1
1 141 . 16 1 1 A 33 33 VAL CB C 33 32.300 31.018 1.282 1
1 144 . 16 1 1 A 33 33 VAL N N 33 109.100 115.285 -6.185 1
1 145 . 16 1 1 A 34 34 ALA H H 34 6.710 8.135 -1.425 1
1 146 . 16 1 1 A 34 34 ALA HA H 34 3.010 3.809 -0.799 1
1 150 . 16 1 1 A 34 34 ALA CA C 34 55.100 54.311 0.789 1
1 151 . 16 1 1 A 34 34 ALA CB C 34 19.200 17.950 1.250 1
1 152 . 16 1 1 A 34 34 ALA N N 34 124.300 124.927 -0.627 1
1 153 . 16 1 1 A 35 35 SER H H 35 8.120 8.124 -0.004 1
1 154 . 16 1 1 A 35 35 SER HA H 35 4.320 4.059 0.261 1
1 157 . 16 1 1 A 35 35 SER CA C 35 60.400 61.331 -0.931 1
1 158 . 16 1 1 A 35 35 SER CB C 35 62.400 62.944 -0.544 1
1 159 . 16 1 1 A 35 35 SER N N 35 110.400 112.807 -2.407 1
1 160 . 16 1 1 A 36 36 GLU H H 36 8.300 8.006 0.294 1
1 161 . 16 1 1 A 36 36 GLU HA H 36 4.270 4.571 -0.301 1
1 166 . 16 1 1 A 36 36 GLU CA C 36 55.700 55.960 -0.260 1
1 167 . 16 1 1 A 36 36 GLU CB C 36 28.900 30.225 -1.325 1
1 169 . 16 1 1 A 36 36 GLU N N 36 119.200 117.700 1.500 1
1 170 . 16 1 1 A 37 37 TYR H H 37 7.920 7.709 0.211 1
1 171 . 16 1 1 A 37 37 TYR HA H 37 5.150 5.025 0.125 1
1 178 . 16 1 1 A 37 37 TYR CA C 37 57.900 56.338 1.562 1
1 179 . 16 1 1 A 37 37 TYR CB C 37 44.100 42.619 1.481 1
1 182 . 16 1 1 A 37 37 TYR N N 37 117.200 119.724 -2.524 1
1 183 . 16 1 1 A 38 38 THR H H 38 9.480 8.968 0.512 1
1 184 . 16 1 1 A 38 38 THR HA H 38 4.840 5.109 -0.269 1
1 189 . 16 1 1 A 38 38 THR CA C 38 60.400 61.012 -0.612 1
1 190 . 16 1 1 A 38 38 THR CB C 38 71.200 71.886 -0.686 1
1 192 . 16 1 1 A 38 38 THR N N 38 115.400 115.096 0.304 1
1 193 . 16 1 1 A 39 39 LYS H H 39 9.290 8.938 0.352 1
1 194 . 16 1 1 A 39 39 LYS HA H 39 3.880 4.253 -0.373 1
1 203 . 16 1 1 A 39 39 LYS CA C 39 57.500 55.608 1.892 1
1 204 . 16 1 1 A 39 39 LYS CB C 39 32.300 33.597 -1.297 1
1 208 . 16 1 1 A 39 39 LYS N N 39 130.400 128.019 2.381 1
1 209 . 16 1 1 A 40 40 ILE H H 40 8.820 8.770 0.050 1
1 210 . 16 1 1 A 40 40 ILE HA H 40 4.550 4.583 -0.033 1
1 220 . 16 1 1 A 40 40 ILE CA C 40 60.900 60.090 0.810 1
1 221 . 16 1 1 A 40 40 ILE CB C 40 39.200 38.416 0.784 1
1 225 . 16 1 1 A 40 40 ILE N N 40 121.900 122.981 -1.081 1
1 226 . 16 1 1 A 41 41 GLY H H 41 7.130 7.291 -0.161 1
1 227 . 16 1 1 A 41 41 GLY HA2 H 41 3.950 3.991 -0.041 1
1 228 . 16 1 1 A 41 41 GLY HA3 H 41 4.260 4.004 0.256 1
1 229 . 16 1 1 A 41 41 GLY CA C 41 45.100 43.909 1.191 1
1 230 . 16 1 1 A 41 41 GLY N N 41 107.400 110.717 -3.317 1
1 231 . 16 1 1 A 42 42 THR H H 42 8.210 8.177 0.033 1
1 232 . 16 1 1 A 42 42 THR HA H 42 5.230 4.977 0.253 1
1 237 . 16 1 1 A 42 42 THR CA C 42 60.900 61.459 -0.559 1
1 238 . 16 1 1 A 42 42 THR CB C 42 72.300 71.052 1.248 1
1 240 . 16 1 1 A 42 42 THR N N 42 115.100 115.638 -0.538 1
1 241 . 16 1 1 A 43 43 ILE H H 43 9.130 9.376 -0.246 1
1 242 . 16 1 1 A 43 43 ILE HA H 43 4.790 5.166 -0.376 1
1 252 . 16 1 1 A 43 43 ILE CA C 43 59.400 59.054 0.346 1
1 253 . 16 1 1 A 43 43 ILE CB C 43 42.600 42.047 0.553 1
1 257 . 16 1 1 A 43 43 ILE N N 43 118.000 119.684 -1.684 1
1 258 . 16 1 1 A 44 44 SER H H 44 8.330 8.729 -0.399 1
1 259 . 16 1 1 A 44 44 SER HA H 44 5.250 4.853 0.397 1
1 262 . 16 1 1 A 44 44 SER CA C 44 56.700 56.751 -0.051 1
1 263 . 16 1 1 A 44 44 SER CB C 44 66.000 64.381 1.619 1
1 264 . 16 1 1 A 44 44 SER N N 44 113.300 116.979 -3.679 1
1 265 . 16 1 1 A 45 45 THR H H 45 8.380 8.255 0.125 1
1 266 . 16 1 1 A 45 45 THR HA H 45 4.550 4.862 -0.312 1
1 271 . 16 1 1 A 45 45 THR CA C 45 60.900 60.430 0.470 1
1 272 . 16 1 1 A 45 45 THR CB C 45 70.000 70.435 -0.435 1
1 274 . 16 1 1 A 45 45 THR N N 45 113.300 116.346 -3.046 1
1 275 . 16 1 1 A 46 46 THR H H 46 8.540 8.528 0.012 1
1 276 . 16 1 1 A 46 46 THR HA H 46 4.400 5.190 -0.790 1
1 281 . 16 1 1 A 46 46 THR CA C 46 62.000 60.801 1.199 1
1 282 . 16 1 1 A 46 46 THR CB C 46 69.300 72.457 -3.157 1
1 284 . 16 1 1 A 46 46 THR N N 46 117.700 119.030 -1.330 1
1 285 . 16 1 1 A 47 47 GLY H H 47 8.320 7.843 0.477 1
1 286 . 16 1 1 A 47 47 GLY HA2 H 47 3.890 4.225 -0.335 1
1 287 . 16 1 1 A 47 47 GLY HA3 H 47 3.980 4.229 -0.249 1
1 288 . 16 1 1 A 47 47 GLY CA C 47 44.800 45.273 -0.473 1
1 289 . 16 1 1 A 47 47 GLY N N 47 111.700 110.775 0.925 1
1 290 . 16 1 1 A 48 48 GLU H H 48 8.430 8.644 -0.214 1
1 291 . 16 1 1 A 48 48 GLU HA H 48 4.390 5.123 -0.733 1
1 296 . 16 1 1 A 48 48 GLU CA C 48 55.600 55.244 0.356 1
1 297 . 16 1 1 A 48 48 GLU CB C 48 29.400 31.347 -1.947 1
1 299 . 16 1 1 A 48 48 GLU N N 48 120.100 122.903 -2.803 1
1 300 . 16 1 1 A 49 49 MET H H 49 8.390 8.658 -0.268 1
1 301 . 16 1 1 A 49 49 MET HA H 49 4.700 5.189 -0.489 1
1 306 . 16 1 1 A 49 49 MET CA C 49 55.000 54.037 0.963 1
1 307 . 16 1 1 A 49 49 MET CB C 49 35.900 37.679 -1.779 1
1 309 . 16 1 1 A 49 49 MET N N 49 120.000 124.511 -4.511 1
1 310 . 16 1 1 A 50 50 SER H H 50 9.020 8.762 0.258 1
1 311 . 16 1 1 A 50 50 SER HA H 50 4.780 4.795 -0.015 1
1 314 . 16 1 1 A 50 50 SER CA C 50 57.700 56.867 0.833 1
1 315 . 16 1 1 A 50 50 SER CB C 50 62.600 63.177 -0.577 1
1 316 . 16 1 1 A 50 50 SER N N 50 117.900 117.581 0.319 1
1 317 . 16 1 1 A 51 51 PRO HA H 51 4.240 4.234 0.006 1
1 324 . 16 1 1 A 51 51 PRO CA C 51 66.000 65.901 0.099 1
1 325 . 16 1 1 A 51 51 PRO CB C 51 31.800 31.754 0.046 1
1 328 . 16 1 1 A 52 52 LEU H H 52 8.160 7.497 0.663 1
1 329 . 16 1 1 A 52 52 LEU HA H 52 4.110 4.055 0.055 1
1 339 . 16 1 1 A 52 52 LEU CA C 52 57.900 57.063 0.837 1
1 340 . 16 1 1 A 52 52 LEU CB C 52 41.400 42.194 -0.794 1
1 344 . 16 1 1 A 52 52 LEU N N 52 117.600 116.397 1.203 1
1 345 . 16 1 1 A 53 53 ASP H H 53 7.510 8.276 -0.766 1
1 346 . 16 1 1 A 53 53 ASP HA H 53 4.420 4.378 0.042 1
1 349 . 16 1 1 A 53 53 ASP CA C 53 56.600 57.972 -1.372 1
1 350 . 16 1 1 A 53 53 ASP CB C 53 39.800 41.743 -1.943 1
1 351 . 16 1 1 A 53 53 ASP N N 53 119.900 119.142 0.758 1
1 352 . 16 1 1 A 54 54 ALA H H 54 8.800 8.560 0.240 1
1 353 . 16 1 1 A 54 54 ALA HA H 54 4.210 4.107 0.103 1
1 357 . 16 1 1 A 54 54 ALA CA C 54 54.700 54.846 -0.146 1
1 358 . 16 1 1 A 54 54 ALA CB C 54 18.200 18.308 -0.108 1
1 359 . 16 1 1 A 54 54 ALA N N 54 123.400 121.820 1.580 1
1 360 . 16 1 1 A 55 55 ARG H H 55 7.860 7.924 -0.064 1
1 361 . 16 1 1 A 55 55 ARG HA H 55 3.730 3.997 -0.267 1
1 368 . 16 1 1 A 55 55 ARG CA C 55 60.200 59.837 0.363 1
1 369 . 16 1 1 A 55 55 ARG CB C 55 30.100 30.163 -0.063 1
1 372 . 16 1 1 A 55 55 ARG N N 55 117.100 117.887 -0.787 1
1 373 . 16 1 1 A 56 56 GLU H H 56 7.630 8.168 -0.538 1
1 374 . 16 1 1 A 56 56 GLU HA H 56 4.000 4.114 -0.114 1
1 379 . 16 1 1 A 56 56 GLU CA C 56 58.800 59.204 -0.404 1
1 380 . 16 1 1 A 56 56 GLU CB C 56 28.300 29.092 -0.792 1
1 382 . 16 1 1 A 56 56 GLU N N 56 115.900 119.847 -3.947 1
1 383 . 16 1 1 A 57 57 ASP H H 57 8.120 7.903 0.217 1
1 384 . 16 1 1 A 57 57 ASP HA H 57 4.380 4.390 -0.010 1
1 387 . 16 1 1 A 57 57 ASP CA C 57 57.400 57.587 -0.187 1
1 388 . 16 1 1 A 57 57 ASP CB C 57 42.500 41.505 0.995 1
1 389 . 16 1 1 A 57 57 ASP N N 57 120.200 119.962 0.238 1
1 390 . 16 1 1 A 58 58 LEU H H 58 8.160 8.307 -0.147 1
1 391 . 16 1 1 A 58 58 LEU HA H 58 3.860 4.038 -0.178 1
1 401 . 16 1 1 A 58 58 LEU CA C 58 57.500 57.907 -0.407 1
1 402 . 16 1 1 A 58 58 LEU CB C 58 41.400 41.992 -0.592 1
1 406 . 16 1 1 A 58 58 LEU N N 58 117.300 119.800 -2.500 1
1 407 . 16 1 1 A 59 59 ILE H H 59 8.020 8.733 -0.713 1
1 408 . 16 1 1 A 59 59 ILE HA H 59 3.300 3.440 -0.140 1
1 418 . 16 1 1 A 59 59 ILE CA C 59 65.700 66.443 -0.743 1
1 419 . 16 1 1 A 59 59 ILE CB C 59 37.500 38.321 -0.821 1
1 423 . 16 1 1 A 59 59 ILE N N 59 118.600 119.577 -0.977 1
1 424 . 16 1 1 A 60 60 LYS H H 60 7.890 8.146 -0.256 1
1 425 . 16 1 1 A 60 60 LYS HA H 60 4.090 3.950 0.140 1
1 434 . 16 1 1 A 60 60 LYS CA C 60 59.800 59.651 0.149 1
1 435 . 16 1 1 A 60 60 LYS CB C 60 31.900 32.206 -0.306 1
1 439 . 16 1 1 A 60 60 LYS N N 60 119.400 119.422 -0.022 1
1 440 . 16 1 1 A 61 61 LYS H H 61 8.080 8.121 -0.041 1
1 441 . 16 1 1 A 61 61 LYS HA H 61 3.980 4.116 -0.136 1
1 450 . 16 1 1 A 61 61 LYS CA C 61 59.200 59.087 0.113 1
1 451 . 16 1 1 A 61 61 LYS CB C 61 33.500 32.249 1.251 1
1 455 . 16 1 1 A 61 61 LYS N N 61 119.200 119.422 -0.222 1
1 456 . 16 1 1 A 62 62 ALA H H 62 8.490 8.496 -0.006 1
1 457 . 16 1 1 A 62 62 ALA HA H 62 3.770 4.092 -0.322 1
1 461 . 16 1 1 A 62 62 ALA CA C 62 54.900 55.082 -0.182 1
1 462 . 16 1 1 A 62 62 ALA CB C 62 19.100 18.518 0.582 1
1 463 . 16 1 1 A 62 62 ALA N N 62 122.200 121.703 0.497 1
1 464 . 16 1 1 A 63 63 ASP H H 63 8.850 8.174 0.676 1
1 465 . 16 1 1 A 63 63 ASP HA H 63 4.590 4.402 0.188 1
1 468 . 16 1 1 A 63 63 ASP CA C 63 56.900 57.330 -0.430 1
1 469 . 16 1 1 A 63 63 ASP CB C 63 39.000 41.316 -2.316 1
1 470 . 16 1 1 A 63 63 ASP N N 63 120.200 118.396 1.804 1
1 471 . 16 1 1 A 64 64 GLU H H 64 8.050 8.262 -0.212 1
1 472 . 16 1 1 A 64 64 GLU HA H 64 4.070 4.182 -0.112 1
1 477 . 16 1 1 A 64 64 GLU CA C 64 58.800 58.830 -0.030 1
1 478 . 16 1 1 A 64 64 GLU CB C 64 29.000 29.528 -0.528 1
1 480 . 16 1 1 A 64 64 GLU N N 64 121.300 118.596 2.704 1
1 481 . 16 1 1 A 65 65 LYS H H 65 7.180 7.690 -0.510 1
1 482 . 16 1 1 A 65 65 LYS HA H 65 4.310 4.347 -0.037 1
1 491 . 16 1 1 A 65 65 LYS CA C 65 54.800 56.831 -2.031 1
1 492 . 16 1 1 A 65 65 LYS CB C 65 33.000 33.542 -0.542 1
1 496 . 16 1 1 A 65 65 LYS N N 65 115.600 118.605 -3.005 1
1 497 . 16 1 1 A 66 66 GLY H H 66 7.870 8.090 -0.220 1
1 498 . 16 1 1 A 66 66 GLY HA2 H 66 3.860 4.011 -0.151 1
1 499 . 16 1 1 A 66 66 GLY HA3 H 66 3.980 4.018 -0.038 1
1 500 . 16 1 1 A 66 66 GLY CA C 66 45.700 46.047 -0.347 1
1 501 . 16 1 1 A 66 66 GLY N N 66 107.500 107.531 -0.031 1
1 502 . 16 1 1 A 67 67 ALA H H 67 7.920 7.724 0.196 1
1 503 . 16 1 1 A 67 67 ALA HA H 67 4.020 4.659 -0.639 1
1 507 . 16 1 1 A 67 67 ALA CA C 67 51.700 51.008 0.692 1
1 508 . 16 1 1 A 67 67 ALA CB C 67 21.100 20.973 0.127 1
1 509 . 16 1 1 A 67 67 ALA N N 67 118.900 122.475 -3.575 1
1 510 . 16 1 1 A 68 68 ASP H H 68 8.790 9.597 -0.807 1
1 511 . 16 1 1 A 68 68 ASP HA H 68 5.070 4.863 0.207 1
1 514 . 16 1 1 A 68 68 ASP CA C 68 56.500 55.608 0.892 1
1 515 . 16 1 1 A 68 68 ASP CB C 68 44.900 43.943 0.957 1
1 516 . 16 1 1 A 68 68 ASP N N 68 116.500 119.278 -2.778 1
1 517 . 16 1 1 A 69 69 VAL H H 69 8.070 8.265 -0.195 1
1 518 . 16 1 1 A 69 69 VAL HA H 69 5.130 4.971 0.159 1
1 526 . 16 1 1 A 69 69 VAL CA C 69 60.300 60.637 -0.337 1
1 527 . 16 1 1 A 69 69 VAL CB C 69 37.400 35.364 2.036 1
1 530 . 16 1 1 A 69 69 VAL N N 69 118.400 117.149 1.251 1
1 531 . 16 1 1 A 70 70 VAL H H 70 8.720 8.665 0.055 1
1 532 . 16 1 1 A 70 70 VAL HA H 70 4.550 5.103 -0.553 1
1 540 . 16 1 1 A 70 70 VAL CA C 70 59.800 59.437 0.363 1
1 541 . 16 1 1 A 70 70 VAL CB C 70 34.200 34.545 -0.345 1
1 544 . 16 1 1 A 70 70 VAL N N 70 127.300 121.757 5.543 1
1 545 . 16 1 1 A 71 71 VAL H H 71 8.890 9.053 -0.163 1
1 546 . 16 1 1 A 71 71 VAL HA H 71 4.550 4.572 -0.022 1
1 554 . 16 1 1 A 71 71 VAL CA C 71 60.800 60.681 0.119 1
1 555 . 16 1 1 A 71 71 VAL CB C 71 34.000 34.071 -0.071 1
1 558 . 16 1 1 A 71 71 VAL N N 71 126.700 122.408 4.292 1
1 559 . 16 1 1 A 72 72 LEU H H 72 8.800 8.801 -0.001 1
1 560 . 16 1 1 A 72 72 LEU HA H 72 4.440 4.507 -0.067 1
1 570 . 16 1 1 A 72 72 LEU CA C 72 55.700 54.325 1.375 1
1 571 . 16 1 1 A 72 72 LEU CB C 72 41.500 40.255 1.245 1
1 575 . 16 1 1 A 72 72 LEU N N 72 127.400 127.957 -0.557 1
1 576 . 16 1 1 A 73 73 THR H H 73 8.630 8.000 0.630 1
1 577 . 16 1 1 A 73 73 THR HA H 73 4.430 4.046 0.384 1
1 582 . 16 1 1 A 73 73 THR CA C 73 61.500 65.053 -3.553 1
1 583 . 16 1 1 A 73 73 THR CB C 73 69.400 69.263 0.137 1
1 585 . 16 1 1 A 73 73 THR N N 73 114.000 116.023 -2.023 1
1 586 . 16 1 1 A 74 74 SER H H 74 8.130 8.159 -0.029 1
1 587 . 16 1 1 A 74 74 SER HA H 74 4.540 4.466 0.074 1
1 590 . 16 1 1 A 74 74 SER CA C 74 58.000 58.411 -0.411 1
1 591 . 16 1 1 A 74 74 SER CB C 74 63.800 63.029 0.771 1
1 592 . 16 1 1 A 74 74 SER N N 74 116.000 116.364 -0.364 1
1 593 . 16 1 1 A 75 75 GLY H H 75 8.570 8.556 0.014 1
1 594 . 16 1 1 A 75 75 GLY HA2 H 75 4.040 4.373 -0.333 1
1 595 . 16 1 1 A 75 75 GLY HA3 H 75 4.040 4.390 -0.350 1
1 596 . 16 1 1 A 75 75 GLY CA C 75 45.100 44.840 0.260 1
1 597 . 16 1 1 A 75 75 GLY N N 75 109.800 107.109 2.691 1
1 598 . 16 1 1 A 76 76 GLN H H 76 8.390 8.683 -0.293 1
1 599 . 16 1 1 A 76 76 GLN HA H 76 4.490 4.409 0.081 1
1 606 . 16 1 1 A 76 76 GLN CA C 76 55.900 55.044 0.856 1
1 607 . 16 1 1 A 76 76 GLN CB C 76 29.600 27.059 2.541 1
1 609 . 16 1 1 A 76 76 GLN N N 76 119.200 122.675 -3.475 1
1 611 . 16 1 1 A 77 77 THR H H 77 8.100 8.399 -0.299 1
1 612 . 16 1 1 A 77 77 THR HA H 77 4.420 4.794 -0.374 1
1 617 . 16 1 1 A 77 77 THR CA C 77 61.300 61.645 -0.345 1
1 618 . 16 1 1 A 77 77 THR CB C 77 69.700 70.169 -0.469 1
1 620 . 16 1 1 A 77 77 THR N N 77 113.000 118.707 -5.707 1
1 621 . 16 1 1 A 78 78 GLU H H 78 8.450 8.794 -0.344 1
1 622 . 16 1 1 A 78 78 GLU HA H 78 4.250 4.283 -0.033 1
1 627 . 16 1 1 A 78 78 GLU CA C 78 56.900 58.413 -1.513 1
1 628 . 16 1 1 A 78 78 GLU CB C 78 29.500 29.732 -0.232 1
1 630 . 16 1 1 A 78 78 GLU N N 78 120.700 126.285 -5.585 1
1 631 . 16 1 1 A 79 79 ASN H H 79 8.320 8.151 0.169 1
1 632 . 16 1 1 A 79 79 ASN HA H 79 4.600 4.551 0.049 1
1 637 . 16 1 1 A 79 79 ASN CA C 79 53.700 56.087 -2.387 1
1 638 . 16 1 1 A 79 79 ASN CB C 79 38.600 38.445 0.155 1
1 639 . 16 1 1 A 79 79 ASN N N 79 117.000 117.786 -0.786 1
1 641 . 16 1 1 A 80 80 LYS H H 80 7.910 7.659 0.251 1
1 642 . 16 1 1 A 80 80 LYS HA H 80 4.300 4.839 -0.539 1
1 651 . 16 1 1 A 80 80 LYS CA C 80 56.000 54.872 1.128 1
1 652 . 16 1 1 A 80 80 LYS CB C 80 33.300 34.799 -1.499 1
1 656 . 16 1 1 A 80 80 LYS N N 80 118.800 113.085 5.715 1
1 657 . 16 1 1 A 81 81 ILE H H 81 8.340 8.937 -0.597 1
1 658 . 16 1 1 A 81 81 ILE HA H 81 4.300 4.729 -0.429 1
1 668 . 16 1 1 A 81 81 ILE CA C 81 60.500 61.586 -1.086 1
1 669 . 16 1 1 A 81 81 ILE CB C 81 39.800 38.257 1.543 1
1 673 . 16 1 1 A 81 81 ILE N N 81 119.600 125.830 -6.230 1
1 674 . 16 1 1 A 82 82 HIS H H 82 8.470 8.724 -0.254 1
1 675 . 16 1 1 A 82 82 HIS HA H 82 4.780 4.956 -0.176 1
1 680 . 16 1 1 A 82 82 HIS CA C 82 54.700 55.037 -0.337 1
1 681 . 16 1 1 A 82 82 HIS CB C 82 28.900 31.206 -2.306 1
1 684 . 16 1 1 A 82 82 HIS N N 82 121.600 126.413 -4.813 1
1 685 . 16 1 1 A 83 83 GLY H H 83 8.340 8.062 0.278 1
1 686 . 16 1 1 A 83 83 GLY HA2 H 83 3.690 3.925 -0.235 1
1 687 . 16 1 1 A 83 83 GLY HA3 H 83 4.190 3.928 0.262 1
1 688 . 16 1 1 A 83 83 GLY CA C 83 45.000 44.934 0.066 1
1 689 . 16 1 1 A 83 83 GLY N N 83 111.600 108.766 2.834 1
1 690 . 16 1 1 A 84 84 THR H H 84 8.120 8.540 -0.420 1
1 691 . 16 1 1 A 84 84 THR HA H 84 5.030 5.199 -0.169 1
1 696 . 16 1 1 A 84 84 THR CA C 84 60.100 59.484 0.616 1
1 697 . 16 1 1 A 84 84 THR CB C 84 72.000 71.875 0.125 1
1 699 . 16 1 1 A 84 84 THR N N 84 112.300 111.224 1.076 1
1 700 . 16 1 1 A 85 85 ALA H H 85 8.840 9.277 -0.437 1
1 701 . 16 1 1 A 85 85 ALA HA H 85 4.950 5.281 -0.331 1
1 705 . 16 1 1 A 85 85 ALA CA C 85 51.200 50.420 0.780 1
1 706 . 16 1 1 A 85 85 ALA CB C 85 23.800 22.316 1.484 1
1 707 . 16 1 1 A 85 85 ALA N N 85 122.500 123.951 -1.451 1
1 708 . 16 1 1 A 86 86 ASP H H 86 8.510 9.104 -0.594 1
1 709 . 16 1 1 A 86 86 ASP HA H 86 5.200 5.354 -0.154 1
1 712 . 16 1 1 A 86 86 ASP CA C 86 53.400 52.922 0.478 1
1 713 . 16 1 1 A 86 86 ASP CB C 86 43.100 44.382 -1.282 1
1 714 . 16 1 1 A 86 86 ASP N N 86 121.400 123.007 -1.607 1
1 715 . 16 1 1 A 87 87 ILE H H 87 7.970 8.499 -0.529 1
1 716 . 16 1 1 A 87 87 ILE HA H 87 5.370 5.311 0.059 1
1 726 . 16 1 1 A 87 87 ILE CA C 87 58.200 59.312 -1.112 1
1 727 . 16 1 1 A 87 87 ILE CB C 87 41.200 40.898 0.302 1
1 731 . 16 1 1 A 87 87 ILE N N 87 111.200 120.327 -9.127 1
1 732 . 16 1 1 A 88 88 TYR H H 88 8.750 9.782 -1.032 1
1 733 . 16 1 1 A 88 88 TYR HA H 88 5.440 5.462 -0.022 1
1 740 . 16 1 1 A 88 88 TYR CA C 88 56.900 56.240 0.660 1
1 741 . 16 1 1 A 88 88 TYR CB C 88 44.000 43.705 0.295 1
1 744 . 16 1 1 A 88 88 TYR N N 88 118.000 121.627 -3.627 1
1 745 . 16 1 1 A 89 89 LYS H H 89 9.590 9.617 -0.027 1
1 746 . 16 1 1 A 89 89 LYS HA H 89 5.170 5.102 0.068 1
1 755 . 16 1 1 A 89 89 LYS CA C 89 54.400 54.260 0.140 1
1 756 . 16 1 1 A 89 89 LYS CB C 89 36.800 35.650 1.150 1
1 760 . 16 1 1 A 89 89 LYS N N 89 123.500 123.025 0.475 1
1 761 . 16 1 1 A 90 90 LYS H H 90 10.190 8.232 1.958 1
1 762 . 16 1 1 A 90 90 LYS HA H 90 3.810 3.152 0.658 1
1 771 . 16 1 1 A 90 90 LYS CA C 90 57.500 55.853 1.647 1
1 772 . 16 1 1 A 90 90 LYS CB C 90 32.700 32.934 -0.234 1
1 776 . 16 1 1 A 90 90 LYS N N 90 129.200 127.738 1.462 1
1 777 . 16 1 1 A 91 91 LYS H H 91 8.450 8.356 0.094 1
1 778 . 16 1 1 A 91 91 LYS HA H 91 4.100 4.463 -0.363 1
1 787 . 16 1 1 A 91 91 LYS CA C 91 57.300 55.169 2.131 1
1 788 . 16 1 1 A 91 91 LYS CB C 91 33.100 33.713 -0.613 1
1 792 . 16 1 1 A 91 91 LYS N N 91 125.900 125.841 0.059 1
1 793 . 16 1 1 A 92 92 LEU H H 92 8.270 8.154 0.116 1
1 794 . 16 1 1 A 92 92 LEU HA H 92 4.280 4.697 -0.417 1
1 804 . 16 1 1 A 92 92 LEU CA C 92 54.600 54.083 0.517 1
1 805 . 16 1 1 A 92 92 LEU CB C 92 42.100 41.776 0.324 1
1 809 . 16 1 1 A 92 92 LEU N N 92 123.200 118.731 4.469 1
1 810 . 16 1 1 A 93 93 GLU H H 93 8.310 7.719 0.591 1
1 811 . 16 1 1 A 93 93 GLU HA H 93 4.220 4.259 -0.039 1
1 816 . 16 1 1 A 93 93 GLU CA C 93 55.700 55.900 -0.200 1
1 817 . 16 1 1 A 93 93 GLU CB C 93 30.200 31.280 -1.080 1
1 819 . 16 1 1 A 93 93 GLU N N 93 122.000 119.655 2.345 1
1 820 . 16 1 1 A 94 94 HIS H H 94 8.570 8.560 0.010 1
1 821 . 16 1 1 A 94 94 HIS HA H 94 4.630 4.848 -0.218 1
1 826 . 16 1 1 A 94 94 HIS CA C 94 55.000 55.593 -0.593 1
1 827 . 16 1 1 A 94 94 HIS CB C 94 28.900 30.649 -1.749 1
1 830 . 16 1 1 A 94 94 HIS N N 94 119.700 118.850 0.850 1
1 831 . 16 1 1 A 95 95 HIS H H 95 8.610 8.436 0.174 1
1 832 . 16 1 1 A 95 95 HIS HA H 95 4.650 5.124 -0.474 1
1 837 . 16 1 1 A 95 95 HIS CA C 95 55.200 54.878 0.322 1
1 838 . 16 1 1 A 95 95 HIS CB C 95 28.900 31.233 -2.333 1
1 841 . 16 1 1 A 95 95 HIS N N 95 119.300 119.050 0.250 1
1 842 . 16 1 1 A 96 96 HIS H H 96 8.680 9.616 -0.936 1
1 843 . 16 1 1 A 96 96 HIS HA H 96 4.660 4.921 -0.261 1
1 848 . 16 1 1 A 96 96 HIS CA C 96 55.200 54.993 0.207 1
1 849 . 16 1 1 A 96 96 HIS CB C 96 29.100 30.685 -1.585 1
1 852 . 16 1 1 A 96 96 HIS N N 96 120.100 120.599 -0.499 1
1 853 . 16 1 1 A 97 97 HIS H H 97 8.580 8.915 -0.335 1
1 854 . 16 1 1 A 97 97 HIS HA H 97 4.660 4.667 -0.007 1
1 859 . 16 1 1 A 97 97 HIS CA C 97 55.400 56.268 -0.868 1
1 860 . 16 1 1 A 97 97 HIS CB C 97 29.200 30.092 -0.892 1
1 863 . 16 1 1 A 97 97 HIS N N 97 120.400 127.883 -7.483 1
1 864 . 16 1 1 A 98 98 HIS H H 98 8.390 7.912 0.478 1
1 865 . 16 1 1 A 98 98 HIS HA H 98 4.620 5.243 -0.623 1
1 870 . 16 1 1 A 98 98 HIS CA C 98 55.500 54.827 0.673 1
1 871 . 16 1 1 A 98 98 HIS CB C 98 29.100 34.025 -4.925 1
1 1 . 17 1 1 A 22 22 ALA HA H 22 4.130 4.938 -0.808 1
1 5 . 17 1 1 A 22 22 ALA CA C 22 50.900 51.666 -0.766 1
1 6 . 17 1 1 A 22 22 ALA CB C 22 20.200 19.042 1.158 1
1 7 . 17 1 1 A 23 23 GLU H H 23 7.920 9.361 -1.441 1
1 8 . 17 1 1 A 23 23 GLU HA H 23 4.710 4.849 -0.139 1
1 13 . 17 1 1 A 23 23 GLU CA C 23 54.300 54.834 -0.534 1
1 14 . 17 1 1 A 23 23 GLU CB C 23 32.500 32.723 -0.223 1
1 16 . 17 1 1 A 23 23 GLU N N 23 117.600 124.059 -6.459 1
1 17 . 17 1 1 A 24 24 ILE H H 24 8.870 8.408 0.462 1
1 18 . 17 1 1 A 24 24 ILE HA H 24 4.870 4.604 0.266 1
1 28 . 17 1 1 A 24 24 ILE CA C 24 60.200 60.274 -0.074 1
1 29 . 17 1 1 A 24 24 ILE CB C 24 38.100 39.241 -1.141 1
1 33 . 17 1 1 A 24 24 ILE N N 24 123.800 122.537 1.263 1
1 34 . 17 1 1 A 25 25 MET H H 25 8.720 8.876 -0.156 1
1 35 . 17 1 1 A 25 25 MET HA H 25 4.760 5.196 -0.436 1
1 40 . 17 1 1 A 25 25 MET CA C 25 54.300 54.001 0.299 1
1 41 . 17 1 1 A 25 25 MET CB C 25 37.100 36.584 0.516 1
1 43 . 17 1 1 A 25 25 MET N N 25 127.100 125.138 1.962 1
1 44 . 17 1 1 A 26 26 LYS H H 26 9.190 8.531 0.659 1
1 45 . 17 1 1 A 26 26 LYS HA H 26 4.320 4.293 0.027 1
1 54 . 17 1 1 A 26 26 LYS CA C 26 56.600 56.521 0.079 1
1 55 . 17 1 1 A 26 26 LYS CB C 26 32.900 32.729 0.171 1
1 59 . 17 1 1 A 26 26 LYS N N 26 123.500 121.136 2.364 1
1 60 . 17 1 1 A 27 27 LYS H H 27 8.870 9.122 -0.252 1
1 61 . 17 1 1 A 27 27 LYS HA H 27 3.860 4.054 -0.194 1
1 70 . 17 1 1 A 27 27 LYS CA C 27 60.500 59.482 1.018 1
1 71 . 17 1 1 A 27 27 LYS CB C 27 32.400 32.103 0.297 1
1 75 . 17 1 1 A 27 27 LYS N N 27 126.200 124.701 1.499 1
1 76 . 17 1 1 A 28 28 THR H H 28 8.110 8.184 -0.074 1
1 77 . 17 1 1 A 28 28 THR HA H 28 4.130 4.028 0.102 1
1 82 . 17 1 1 A 28 28 THR CA C 28 64.600 65.728 -1.128 1
1 83 . 17 1 1 A 28 28 THR CB C 28 68.000 68.256 -0.256 1
1 85 . 17 1 1 A 28 28 THR N N 28 107.100 114.384 -7.284 1
1 86 . 17 1 1 A 29 29 ASP H H 29 6.770 8.467 -1.697 1
1 87 . 17 1 1 A 29 29 ASP HA H 29 4.580 4.339 0.241 1
1 90 . 17 1 1 A 29 29 ASP CA C 29 56.600 56.713 -0.113 1
1 91 . 17 1 1 A 29 29 ASP CB C 29 40.600 39.843 0.757 1
1 92 . 17 1 1 A 29 29 ASP N N 29 119.500 121.350 -1.850 1
1 93 . 17 1 1 A 30 30 PHE H H 30 8.630 9.023 -0.393 1
1 94 . 17 1 1 A 30 30 PHE HA H 30 3.930 4.230 -0.300 1
1 102 . 17 1 1 A 30 30 PHE CA C 30 60.800 60.435 0.365 1
1 103 . 17 1 1 A 30 30 PHE CB C 30 38.900 39.121 -0.221 1
1 107 . 17 1 1 A 30 30 PHE N N 30 123.300 121.590 1.710 1
1 108 . 17 1 1 A 31 31 ASP H H 31 8.650 8.505 0.145 1
1 109 . 17 1 1 A 31 31 ASP HA H 31 4.150 3.919 0.231 1
1 112 . 17 1 1 A 31 31 ASP CA C 31 57.000 57.364 -0.364 1
1 113 . 17 1 1 A 31 31 ASP CB C 31 39.800 41.230 -1.430 1
1 114 . 17 1 1 A 31 31 ASP N N 31 117.000 118.728 -1.728 1
1 115 . 17 1 1 A 32 32 LYS H H 32 6.930 7.438 -0.508 1
1 116 . 17 1 1 A 32 32 LYS HA H 32 4.110 4.013 0.097 1
1 125 . 17 1 1 A 32 32 LYS CA C 32 58.300 58.941 -0.641 1
1 126 . 17 1 1 A 32 32 LYS CB C 32 33.100 32.615 0.485 1
1 130 . 17 1 1 A 32 32 LYS N N 32 114.800 118.956 -4.156 1
1 131 . 17 1 1 A 33 33 VAL H H 33 7.400 7.947 -0.547 1
1 132 . 17 1 1 A 33 33 VAL HA H 33 4.620 3.727 0.893 1
1 140 . 17 1 1 A 33 33 VAL CA C 33 60.100 62.439 -2.339 1
1 141 . 17 1 1 A 33 33 VAL CB C 33 32.300 31.647 0.653 1
1 144 . 17 1 1 A 33 33 VAL N N 33 109.100 115.166 -6.066 1
1 145 . 17 1 1 A 34 34 ALA H H 34 6.710 7.727 -1.017 1
1 146 . 17 1 1 A 34 34 ALA HA H 34 3.010 3.804 -0.794 1
1 150 . 17 1 1 A 34 34 ALA CA C 34 55.100 54.290 0.810 1
1 151 . 17 1 1 A 34 34 ALA CB C 34 19.200 17.979 1.221 1
1 152 . 17 1 1 A 34 34 ALA N N 34 124.300 125.438 -1.138 1
1 153 . 17 1 1 A 35 35 SER H H 35 8.120 7.925 0.195 1
1 154 . 17 1 1 A 35 35 SER HA H 35 4.320 4.024 0.296 1
1 157 . 17 1 1 A 35 35 SER CA C 35 60.400 60.839 -0.439 1
1 158 . 17 1 1 A 35 35 SER CB C 35 62.400 63.136 -0.736 1
1 159 . 17 1 1 A 35 35 SER N N 35 110.400 112.744 -2.344 1
1 160 . 17 1 1 A 36 36 GLU H H 36 8.300 7.689 0.611 1
1 161 . 17 1 1 A 36 36 GLU HA H 36 4.270 4.283 -0.013 1
1 166 . 17 1 1 A 36 36 GLU CA C 36 55.700 55.798 -0.098 1
1 167 . 17 1 1 A 36 36 GLU CB C 36 28.900 29.715 -0.815 1
1 169 . 17 1 1 A 36 36 GLU N N 36 119.200 117.271 1.929 1
1 170 . 17 1 1 A 37 37 TYR H H 37 7.920 7.556 0.364 1
1 171 . 17 1 1 A 37 37 TYR HA H 37 5.150 5.342 -0.192 1
1 178 . 17 1 1 A 37 37 TYR CA C 37 57.900 56.441 1.459 1
1 179 . 17 1 1 A 37 37 TYR CB C 37 44.100 42.741 1.359 1
1 182 . 17 1 1 A 37 37 TYR N N 37 117.200 119.315 -2.115 1
1 183 . 17 1 1 A 38 38 THR H H 38 9.480 9.514 -0.034 1
1 184 . 17 1 1 A 38 38 THR HA H 38 4.840 5.104 -0.264 1
1 189 . 17 1 1 A 38 38 THR CA C 38 60.400 61.532 -1.132 1
1 190 . 17 1 1 A 38 38 THR CB C 38 71.200 71.989 -0.789 1
1 192 . 17 1 1 A 38 38 THR N N 38 115.400 116.565 -1.165 1
1 193 . 17 1 1 A 39 39 LYS H H 39 9.290 9.069 0.221 1
1 194 . 17 1 1 A 39 39 LYS HA H 39 3.880 4.252 -0.372 1
1 203 . 17 1 1 A 39 39 LYS CA C 39 57.500 57.246 0.254 1
1 204 . 17 1 1 A 39 39 LYS CB C 39 32.300 33.036 -0.736 1
1 208 . 17 1 1 A 39 39 LYS N N 39 130.400 128.873 1.527 1
1 209 . 17 1 1 A 40 40 ILE H H 40 8.820 8.238 0.582 1
1 210 . 17 1 1 A 40 40 ILE HA H 40 4.550 4.537 0.013 1
1 220 . 17 1 1 A 40 40 ILE CA C 40 60.900 60.901 -0.001 1
1 221 . 17 1 1 A 40 40 ILE CB C 40 39.200 39.027 0.173 1
1 225 . 17 1 1 A 40 40 ILE N N 40 121.900 122.105 -0.205 1
1 226 . 17 1 1 A 41 41 GLY H H 41 7.130 7.232 -0.102 1
1 227 . 17 1 1 A 41 41 GLY HA2 H 41 3.950 4.015 -0.065 1
1 228 . 17 1 1 A 41 41 GLY HA3 H 41 4.260 4.020 0.240 1
1 229 . 17 1 1 A 41 41 GLY CA C 41 45.100 45.205 -0.105 1
1 230 . 17 1 1 A 41 41 GLY N N 41 107.400 108.871 -1.471 1
1 231 . 17 1 1 A 42 42 THR H H 42 8.210 8.324 -0.114 1
1 232 . 17 1 1 A 42 42 THR HA H 42 5.230 4.962 0.268 1
1 237 . 17 1 1 A 42 42 THR CA C 42 60.900 61.358 -0.458 1
1 238 . 17 1 1 A 42 42 THR CB C 42 72.300 71.002 1.298 1
1 240 . 17 1 1 A 42 42 THR N N 42 115.100 115.491 -0.391 1
1 241 . 17 1 1 A 43 43 ILE H H 43 9.130 9.310 -0.180 1
1 242 . 17 1 1 A 43 43 ILE HA H 43 4.790 5.088 -0.298 1
1 252 . 17 1 1 A 43 43 ILE CA C 43 59.400 58.993 0.407 1
1 253 . 17 1 1 A 43 43 ILE CB C 43 42.600 41.785 0.815 1
1 257 . 17 1 1 A 43 43 ILE N N 43 118.000 119.743 -1.743 1
1 258 . 17 1 1 A 44 44 SER H H 44 8.330 8.675 -0.345 1
1 259 . 17 1 1 A 44 44 SER HA H 44 5.250 5.013 0.237 1
1 262 . 17 1 1 A 44 44 SER CA C 44 56.700 56.990 -0.290 1
1 263 . 17 1 1 A 44 44 SER CB C 44 66.000 64.836 1.164 1
1 264 . 17 1 1 A 44 44 SER N N 44 113.300 117.342 -4.042 1
1 265 . 17 1 1 A 45 45 THR H H 45 8.380 8.647 -0.267 1
1 266 . 17 1 1 A 45 45 THR HA H 45 4.550 5.185 -0.635 1
1 271 . 17 1 1 A 45 45 THR CA C 45 60.900 60.713 0.187 1
1 272 . 17 1 1 A 45 45 THR CB C 45 70.000 71.105 -1.105 1
1 274 . 17 1 1 A 45 45 THR N N 45 113.300 114.090 -0.790 1
1 275 . 17 1 1 A 46 46 THR H H 46 8.540 8.684 -0.144 1
1 276 . 17 1 1 A 46 46 THR HA H 46 4.400 5.116 -0.716 1
1 281 . 17 1 1 A 46 46 THR CA C 46 62.000 61.192 0.808 1
1 282 . 17 1 1 A 46 46 THR CB C 46 69.300 71.693 -2.393 1
1 284 . 17 1 1 A 46 46 THR N N 46 117.700 119.324 -1.624 1
1 285 . 17 1 1 A 47 47 GLY H H 47 8.320 8.044 0.276 1
1 286 . 17 1 1 A 47 47 GLY HA2 H 47 3.890 4.263 -0.373 1
1 287 . 17 1 1 A 47 47 GLY HA3 H 47 3.980 4.266 -0.286 1
1 288 . 17 1 1 A 47 47 GLY CA C 47 44.800 46.266 -1.466 1
1 289 . 17 1 1 A 47 47 GLY N N 47 111.700 111.564 0.136 1
1 290 . 17 1 1 A 48 48 GLU H H 48 8.430 8.760 -0.330 1
1 291 . 17 1 1 A 48 48 GLU HA H 48 4.390 4.672 -0.282 1
1 296 . 17 1 1 A 48 48 GLU CA C 48 55.600 55.739 -0.139 1
1 297 . 17 1 1 A 48 48 GLU CB C 48 29.400 29.473 -0.073 1
1 299 . 17 1 1 A 48 48 GLU N N 48 120.100 121.217 -1.117 1
1 300 . 17 1 1 A 49 49 MET H H 49 8.390 8.100 0.290 1
1 301 . 17 1 1 A 49 49 MET HA H 49 4.700 4.949 -0.249 1
1 306 . 17 1 1 A 49 49 MET CA C 49 55.000 53.831 1.169 1
1 307 . 17 1 1 A 49 49 MET CB C 49 35.900 36.003 -0.103 1
1 309 . 17 1 1 A 49 49 MET N N 49 120.000 120.577 -0.577 1
1 310 . 17 1 1 A 50 50 SER H H 50 9.020 8.625 0.395 1
1 311 . 17 1 1 A 50 50 SER HA H 50 4.780 5.052 -0.272 1
1 314 . 17 1 1 A 50 50 SER CA C 50 57.700 55.492 2.208 1
1 315 . 17 1 1 A 50 50 SER CB C 50 62.600 63.910 -1.310 1
1 316 . 17 1 1 A 50 50 SER N N 50 117.900 113.313 4.587 1
1 317 . 17 1 1 A 51 51 PRO HA H 51 4.240 4.274 -0.034 1
1 324 . 17 1 1 A 51 51 PRO CA C 51 66.000 65.837 0.163 1
1 325 . 17 1 1 A 51 51 PRO CB C 51 31.800 31.716 0.084 1
1 328 . 17 1 1 A 52 52 LEU H H 52 8.160 7.656 0.504 1
1 329 . 17 1 1 A 52 52 LEU HA H 52 4.110 3.962 0.148 1
1 339 . 17 1 1 A 52 52 LEU CA C 52 57.900 57.536 0.364 1
1 340 . 17 1 1 A 52 52 LEU CB C 52 41.400 41.262 0.138 1
1 344 . 17 1 1 A 52 52 LEU N N 52 117.600 116.915 0.685 1
1 345 . 17 1 1 A 53 53 ASP H H 53 7.510 8.398 -0.888 1
1 346 . 17 1 1 A 53 53 ASP HA H 53 4.420 4.311 0.109 1
1 349 . 17 1 1 A 53 53 ASP CA C 53 56.600 57.286 -0.686 1
1 350 . 17 1 1 A 53 53 ASP CB C 53 39.800 40.204 -0.404 1
1 351 . 17 1 1 A 53 53 ASP N N 53 119.900 119.188 0.712 1
1 352 . 17 1 1 A 54 54 ALA H H 54 8.800 8.026 0.774 1
1 353 . 17 1 1 A 54 54 ALA HA H 54 4.210 4.067 0.143 1
1 357 . 17 1 1 A 54 54 ALA CA C 54 54.700 54.743 -0.043 1
1 358 . 17 1 1 A 54 54 ALA CB C 54 18.200 18.182 0.018 1
1 359 . 17 1 1 A 54 54 ALA N N 54 123.400 122.533 0.867 1
1 360 . 17 1 1 A 55 55 ARG H H 55 7.860 7.906 -0.046 1
1 361 . 17 1 1 A 55 55 ARG HA H 55 3.730 4.037 -0.307 1
1 368 . 17 1 1 A 55 55 ARG CA C 55 60.200 59.352 0.848 1
1 369 . 17 1 1 A 55 55 ARG CB C 55 30.100 29.825 0.275 1
1 372 . 17 1 1 A 55 55 ARG N N 55 117.100 118.125 -1.025 1
1 373 . 17 1 1 A 56 56 GLU H H 56 7.630 8.343 -0.713 1
1 374 . 17 1 1 A 56 56 GLU HA H 56 4.000 4.000 0.000 1
1 379 . 17 1 1 A 56 56 GLU CA C 56 58.800 59.680 -0.880 1
1 380 . 17 1 1 A 56 56 GLU CB C 56 28.300 28.977 -0.677 1
1 382 . 17 1 1 A 56 56 GLU N N 56 115.900 119.984 -4.084 1
1 383 . 17 1 1 A 57 57 ASP H H 57 8.120 7.886 0.234 1
1 384 . 17 1 1 A 57 57 ASP HA H 57 4.380 4.356 0.024 1
1 387 . 17 1 1 A 57 57 ASP CA C 57 57.400 56.252 1.148 1
1 388 . 17 1 1 A 57 57 ASP CB C 57 42.500 41.070 1.430 1
1 389 . 17 1 1 A 57 57 ASP N N 57 120.200 119.504 0.696 1
1 390 . 17 1 1 A 58 58 LEU H H 58 8.160 8.325 -0.165 1
1 391 . 17 1 1 A 58 58 LEU HA H 58 3.860 3.972 -0.112 1
1 401 . 17 1 1 A 58 58 LEU CA C 58 57.500 58.061 -0.561 1
1 402 . 17 1 1 A 58 58 LEU CB C 58 41.400 42.048 -0.648 1
1 406 . 17 1 1 A 58 58 LEU N N 58 117.300 119.946 -2.646 1
1 407 . 17 1 1 A 59 59 ILE H H 59 8.020 8.611 -0.591 1
1 408 . 17 1 1 A 59 59 ILE HA H 59 3.300 3.465 -0.165 1
1 418 . 17 1 1 A 59 59 ILE CA C 59 65.700 65.780 -0.080 1
1 419 . 17 1 1 A 59 59 ILE CB C 59 37.500 37.688 -0.188 1
1 423 . 17 1 1 A 59 59 ILE N N 59 118.600 119.476 -0.876 1
1 424 . 17 1 1 A 60 60 LYS H H 60 7.890 8.427 -0.537 1
1 425 . 17 1 1 A 60 60 LYS HA H 60 4.090 3.958 0.132 1
1 434 . 17 1 1 A 60 60 LYS CA C 60 59.800 60.133 -0.333 1
1 435 . 17 1 1 A 60 60 LYS CB C 60 31.900 32.268 -0.368 1
1 439 . 17 1 1 A 60 60 LYS N N 60 119.400 119.304 0.096 1
1 440 . 17 1 1 A 61 61 LYS H H 61 8.080 8.496 -0.416 1
1 441 . 17 1 1 A 61 61 LYS HA H 61 3.980 4.073 -0.093 1
1 450 . 17 1 1 A 61 61 LYS CA C 61 59.200 59.124 0.076 1
1 451 . 17 1 1 A 61 61 LYS CB C 61 33.500 32.269 1.231 1
1 455 . 17 1 1 A 61 61 LYS N N 61 119.200 120.268 -1.068 1
1 456 . 17 1 1 A 62 62 ALA H H 62 8.490 8.520 -0.030 1
1 457 . 17 1 1 A 62 62 ALA HA H 62 3.770 4.047 -0.277 1
1 461 . 17 1 1 A 62 62 ALA CA C 62 54.900 55.035 -0.135 1
1 462 . 17 1 1 A 62 62 ALA CB C 62 19.100 18.479 0.621 1
1 463 . 17 1 1 A 62 62 ALA N N 62 122.200 121.568 0.632 1
1 464 . 17 1 1 A 63 63 ASP H H 63 8.850 7.961 0.889 1
1 465 . 17 1 1 A 63 63 ASP HA H 63 4.590 4.331 0.259 1
1 468 . 17 1 1 A 63 63 ASP CA C 63 56.900 57.414 -0.514 1
1 469 . 17 1 1 A 63 63 ASP CB C 63 39.000 41.006 -2.006 1
1 470 . 17 1 1 A 63 63 ASP N N 63 120.200 118.094 2.106 1
1 471 . 17 1 1 A 64 64 GLU H H 64 8.050 8.888 -0.838 1
1 472 . 17 1 1 A 64 64 GLU HA H 64 4.070 4.050 0.020 1
1 477 . 17 1 1 A 64 64 GLU CA C 64 58.800 59.150 -0.350 1
1 478 . 17 1 1 A 64 64 GLU CB C 64 29.000 29.336 -0.336 1
1 480 . 17 1 1 A 64 64 GLU N N 64 121.300 119.103 2.197 1
1 481 . 17 1 1 A 65 65 LYS H H 65 7.180 8.125 -0.945 1
1 482 . 17 1 1 A 65 65 LYS HA H 65 4.310 4.228 0.082 1
1 491 . 17 1 1 A 65 65 LYS CA C 65 54.800 57.519 -2.719 1
1 492 . 17 1 1 A 65 65 LYS CB C 65 33.000 33.325 -0.325 1
1 496 . 17 1 1 A 65 65 LYS N N 65 115.600 118.304 -2.704 1
1 497 . 17 1 1 A 66 66 GLY H H 66 7.870 7.846 0.024 1
1 498 . 17 1 1 A 66 66 GLY HA2 H 66 3.860 3.881 -0.021 1
1 499 . 17 1 1 A 66 66 GLY HA3 H 66 3.980 3.924 0.056 1
1 500 . 17 1 1 A 66 66 GLY CA C 66 45.700 44.952 0.748 1
1 501 . 17 1 1 A 66 66 GLY N N 66 107.500 107.413 0.087 1
1 502 . 17 1 1 A 67 67 ALA H H 67 7.920 7.775 0.145 1
1 503 . 17 1 1 A 67 67 ALA HA H 67 4.020 4.283 -0.263 1
1 507 . 17 1 1 A 67 67 ALA CA C 67 51.700 52.465 -0.765 1
1 508 . 17 1 1 A 67 67 ALA CB C 67 21.100 19.546 1.554 1
1 509 . 17 1 1 A 67 67 ALA N N 67 118.900 122.488 -3.588 1
1 510 . 17 1 1 A 68 68 ASP H H 68 8.790 8.680 0.110 1
1 511 . 17 1 1 A 68 68 ASP HA H 68 5.070 4.709 0.361 1
1 514 . 17 1 1 A 68 68 ASP CA C 68 56.500 56.619 -0.119 1
1 515 . 17 1 1 A 68 68 ASP CB C 68 44.900 42.805 2.095 1
1 516 . 17 1 1 A 68 68 ASP N N 68 116.500 121.103 -4.603 1
1 517 . 17 1 1 A 69 69 VAL H H 69 8.070 8.169 -0.099 1
1 518 . 17 1 1 A 69 69 VAL HA H 69 5.130 4.892 0.238 1
1 526 . 17 1 1 A 69 69 VAL CA C 69 60.300 60.515 -0.215 1
1 527 . 17 1 1 A 69 69 VAL CB C 69 37.400 35.028 2.372 1
1 530 . 17 1 1 A 69 69 VAL N N 69 118.400 117.939 0.461 1
1 531 . 17 1 1 A 70 70 VAL H H 70 8.720 8.991 -0.271 1
1 532 . 17 1 1 A 70 70 VAL HA H 70 4.550 4.955 -0.405 1
1 540 . 17 1 1 A 70 70 VAL CA C 70 59.800 59.340 0.460 1
1 541 . 17 1 1 A 70 70 VAL CB C 70 34.200 34.971 -0.771 1
1 544 . 17 1 1 A 70 70 VAL N N 70 127.300 121.532 5.768 1
1 545 . 17 1 1 A 71 71 VAL H H 71 8.890 8.910 -0.020 1
1 546 . 17 1 1 A 71 71 VAL HA H 71 4.550 4.556 -0.006 1
1 554 . 17 1 1 A 71 71 VAL CA C 71 60.800 61.131 -0.331 1
1 555 . 17 1 1 A 71 71 VAL CB C 71 34.000 34.095 -0.095 1
1 558 . 17 1 1 A 71 71 VAL N N 71 126.700 122.406 4.294 1
1 559 . 17 1 1 A 72 72 LEU H H 72 8.800 8.791 0.009 1
1 560 . 17 1 1 A 72 72 LEU HA H 72 4.440 4.520 -0.080 1
1 570 . 17 1 1 A 72 72 LEU CA C 72 55.700 54.309 1.391 1
1 571 . 17 1 1 A 72 72 LEU CB C 72 41.500 40.949 0.551 1
1 575 . 17 1 1 A 72 72 LEU N N 72 127.400 128.202 -0.802 1
1 576 . 17 1 1 A 73 73 THR H H 73 8.630 7.996 0.634 1
1 577 . 17 1 1 A 73 73 THR HA H 73 4.430 4.289 0.141 1
1 582 . 17 1 1 A 73 73 THR CA C 73 61.500 62.632 -1.132 1
1 583 . 17 1 1 A 73 73 THR CB C 73 69.400 69.297 0.103 1
1 585 . 17 1 1 A 73 73 THR N N 73 114.000 116.357 -2.357 1
1 586 . 17 1 1 A 74 74 SER H H 74 8.130 7.288 0.842 1
1 587 . 17 1 1 A 74 74 SER HA H 74 4.540 4.318 0.222 1
1 590 . 17 1 1 A 74 74 SER CA C 74 58.000 59.505 -1.505 1
1 591 . 17 1 1 A 74 74 SER CB C 74 63.800 63.173 0.627 1
1 592 . 17 1 1 A 74 74 SER N N 74 116.000 119.407 -3.407 1
1 593 . 17 1 1 A 75 75 GLY H H 75 8.570 8.346 0.224 1
1 594 . 17 1 1 A 75 75 GLY HA2 H 75 4.040 4.207 -0.167 1
1 595 . 17 1 1 A 75 75 GLY HA3 H 75 4.040 4.209 -0.169 1
1 596 . 17 1 1 A 75 75 GLY CA C 75 45.100 46.055 -0.955 1
1 597 . 17 1 1 A 75 75 GLY N N 75 109.800 110.640 -0.840 1
1 598 . 17 1 1 A 76 76 GLN H H 76 8.390 8.821 -0.431 1
1 599 . 17 1 1 A 76 76 GLN HA H 76 4.490 4.283 0.207 1
1 606 . 17 1 1 A 76 76 GLN CA C 76 55.900 58.027 -2.127 1
1 607 . 17 1 1 A 76 76 GLN CB C 76 29.600 28.519 1.081 1
1 609 . 17 1 1 A 76 76 GLN N N 76 119.200 119.481 -0.281 1
1 611 . 17 1 1 A 77 77 THR H H 77 8.100 8.662 -0.562 1
1 612 . 17 1 1 A 77 77 THR HA H 77 4.420 4.533 -0.113 1
1 617 . 17 1 1 A 77 77 THR CA C 77 61.300 61.253 0.047 1
1 618 . 17 1 1 A 77 77 THR CB C 77 69.700 69.326 0.374 1
1 620 . 17 1 1 A 77 77 THR N N 77 113.000 112.840 0.160 1
1 621 . 17 1 1 A 78 78 GLU H H 78 8.450 8.777 -0.327 1
1 622 . 17 1 1 A 78 78 GLU HA H 78 4.250 4.248 0.002 1
1 627 . 17 1 1 A 78 78 GLU CA C 78 56.900 59.029 -2.129 1
1 628 . 17 1 1 A 78 78 GLU CB C 78 29.500 29.384 0.116 1
1 630 . 17 1 1 A 78 78 GLU N N 78 120.700 126.687 -5.987 1
1 631 . 17 1 1 A 79 79 ASN H H 79 8.320 8.253 0.067 1
1 632 . 17 1 1 A 79 79 ASN HA H 79 4.600 4.420 0.180 1
1 637 . 17 1 1 A 79 79 ASN CA C 79 53.700 56.165 -2.465 1
1 638 . 17 1 1 A 79 79 ASN CB C 79 38.600 39.070 -0.470 1
1 639 . 17 1 1 A 79 79 ASN N N 79 117.000 118.277 -1.277 1
1 641 . 17 1 1 A 80 80 LYS H H 80 7.910 7.743 0.167 1
1 642 . 17 1 1 A 80 80 LYS HA H 80 4.300 4.325 -0.025 1
1 651 . 17 1 1 A 80 80 LYS CA C 80 56.000 55.309 0.691 1
1 652 . 17 1 1 A 80 80 LYS CB C 80 33.300 31.870 1.430 1
1 656 . 17 1 1 A 80 80 LYS N N 80 118.800 114.228 4.572 1
1 657 . 17 1 1 A 81 81 ILE H H 81 8.340 7.983 0.357 1
1 658 . 17 1 1 A 81 81 ILE HA H 81 4.300 5.004 -0.704 1
1 668 . 17 1 1 A 81 81 ILE CA C 81 60.500 62.913 -2.413 1
1 669 . 17 1 1 A 81 81 ILE CB C 81 39.800 37.007 2.793 1
1 673 . 17 1 1 A 81 81 ILE N N 81 119.600 116.630 2.970 1
1 674 . 17 1 1 A 82 82 HIS H H 82 8.470 8.586 -0.116 1
1 675 . 17 1 1 A 82 82 HIS HA H 82 4.780 4.804 -0.024 1
1 680 . 17 1 1 A 82 82 HIS CA C 82 54.700 55.000 -0.300 1
1 681 . 17 1 1 A 82 82 HIS CB C 82 28.900 31.285 -2.385 1
1 684 . 17 1 1 A 82 82 HIS N N 82 121.600 125.314 -3.714 1
1 685 . 17 1 1 A 83 83 GLY H H 83 8.340 8.085 0.255 1
1 686 . 17 1 1 A 83 83 GLY HA2 H 83 3.690 3.929 -0.239 1
1 687 . 17 1 1 A 83 83 GLY HA3 H 83 4.190 3.976 0.214 1
1 688 . 17 1 1 A 83 83 GLY CA C 83 45.000 44.249 0.751 1
1 689 . 17 1 1 A 83 83 GLY N N 83 111.600 109.125 2.475 1
1 690 . 17 1 1 A 84 84 THR H H 84 8.120 8.577 -0.457 1
1 691 . 17 1 1 A 84 84 THR HA H 84 5.030 5.033 -0.003 1
1 696 . 17 1 1 A 84 84 THR CA C 84 60.100 59.750 0.350 1
1 697 . 17 1 1 A 84 84 THR CB C 84 72.000 72.090 -0.090 1
1 699 . 17 1 1 A 84 84 THR N N 84 112.300 111.686 0.614 1
1 700 . 17 1 1 A 85 85 ALA H H 85 8.840 8.893 -0.053 1
1 701 . 17 1 1 A 85 85 ALA HA H 85 4.950 4.985 -0.035 1
1 705 . 17 1 1 A 85 85 ALA CA C 85 51.200 51.502 -0.302 1
1 706 . 17 1 1 A 85 85 ALA CB C 85 23.800 22.711 1.089 1
1 707 . 17 1 1 A 85 85 ALA N N 85 122.500 121.962 0.538 1
1 708 . 17 1 1 A 86 86 ASP H H 86 8.510 9.244 -0.734 1
1 709 . 17 1 1 A 86 86 ASP HA H 86 5.200 5.259 -0.059 1
1 712 . 17 1 1 A 86 86 ASP CA C 86 53.400 53.002 0.398 1
1 713 . 17 1 1 A 86 86 ASP CB C 86 43.100 43.749 -0.649 1
1 714 . 17 1 1 A 86 86 ASP N N 86 121.400 123.015 -1.615 1
1 715 . 17 1 1 A 87 87 ILE H H 87 7.970 8.286 -0.316 1
1 716 . 17 1 1 A 87 87 ILE HA H 87 5.370 5.067 0.303 1
1 726 . 17 1 1 A 87 87 ILE CA C 87 58.200 59.077 -0.877 1
1 727 . 17 1 1 A 87 87 ILE CB C 87 41.200 40.709 0.491 1
1 731 . 17 1 1 A 87 87 ILE N N 87 111.200 120.084 -8.884 1
1 732 . 17 1 1 A 88 88 TYR H H 88 8.750 9.558 -0.808 1
1 733 . 17 1 1 A 88 88 TYR HA H 88 5.440 5.174 0.266 1
1 740 . 17 1 1 A 88 88 TYR CA C 88 56.900 56.188 0.712 1
1 741 . 17 1 1 A 88 88 TYR CB C 88 44.000 43.137 0.863 1
1 744 . 17 1 1 A 88 88 TYR N N 88 118.000 121.339 -3.339 1
1 745 . 17 1 1 A 89 89 LYS H H 89 9.590 9.209 0.381 1
1 746 . 17 1 1 A 89 89 LYS HA H 89 5.170 4.846 0.324 1
1 755 . 17 1 1 A 89 89 LYS CA C 89 54.400 54.357 0.043 1
1 756 . 17 1 1 A 89 89 LYS CB C 89 36.800 34.897 1.903 1
1 760 . 17 1 1 A 89 89 LYS N N 89 123.500 121.179 2.321 1
1 761 . 17 1 1 A 90 90 LYS H H 90 10.190 9.081 1.109 1
1 762 . 17 1 1 A 90 90 LYS HA H 90 3.810 4.612 -0.802 1
1 771 . 17 1 1 A 90 90 LYS CA C 90 57.500 56.024 1.476 1
1 772 . 17 1 1 A 90 90 LYS CB C 90 32.700 33.360 -0.660 1
1 776 . 17 1 1 A 90 90 LYS N N 90 129.200 121.673 7.527 1
1 777 . 17 1 1 A 91 91 LYS H H 91 8.450 9.072 -0.622 1
1 778 . 17 1 1 A 91 91 LYS HA H 91 4.100 4.560 -0.460 1
1 787 . 17 1 1 A 91 91 LYS CA C 91 57.300 55.874 1.426 1
1 788 . 17 1 1 A 91 91 LYS CB C 91 33.100 33.604 -0.504 1
1 792 . 17 1 1 A 91 91 LYS N N 91 125.900 121.438 4.462 1
1 793 . 17 1 1 A 92 92 LEU H H 92 8.270 8.407 -0.137 1
1 794 . 17 1 1 A 92 92 LEU HA H 92 4.280 4.543 -0.263 1
1 804 . 17 1 1 A 92 92 LEU CA C 92 54.600 54.858 -0.258 1
1 805 . 17 1 1 A 92 92 LEU CB C 92 42.100 41.531 0.569 1
1 809 . 17 1 1 A 92 92 LEU N N 92 123.200 120.678 2.522 1
1 810 . 17 1 1 A 93 93 GLU H H 93 8.310 7.653 0.657 1
1 811 . 17 1 1 A 93 93 GLU HA H 93 4.220 4.368 -0.148 1
1 816 . 17 1 1 A 93 93 GLU CA C 93 55.700 56.915 -1.215 1
1 817 . 17 1 1 A 93 93 GLU CB C 93 30.200 29.574 0.626 1
1 819 . 17 1 1 A 93 93 GLU N N 93 122.000 120.141 1.859 1
1 820 . 17 1 1 A 94 94 HIS H H 94 8.570 9.058 -0.488 1
1 821 . 17 1 1 A 94 94 HIS HA H 94 4.630 4.712 -0.082 1
1 826 . 17 1 1 A 94 94 HIS CA C 94 55.000 55.557 -0.557 1
1 827 . 17 1 1 A 94 94 HIS CB C 94 28.900 30.370 -1.470 1
1 830 . 17 1 1 A 94 94 HIS N N 94 119.700 121.131 -1.431 1
1 831 . 17 1 1 A 95 95 HIS H H 95 8.610 8.394 0.216 1
1 832 . 17 1 1 A 95 95 HIS HA H 95 4.650 3.982 0.668 1
1 837 . 17 1 1 A 95 95 HIS CA C 95 55.200 56.168 -0.968 1
1 838 . 17 1 1 A 95 95 HIS CB C 95 28.900 27.723 1.177 1
1 841 . 17 1 1 A 95 95 HIS N N 95 119.300 115.121 4.179 1
1 842 . 17 1 1 A 96 96 HIS H H 96 8.680 8.148 0.532 1
1 843 . 17 1 1 A 96 96 HIS HA H 96 4.660 4.564 0.096 1
1 848 . 17 1 1 A 96 96 HIS CA C 96 55.200 56.065 -0.865 1
1 849 . 17 1 1 A 96 96 HIS CB C 96 29.100 29.464 -0.364 1
1 852 . 17 1 1 A 96 96 HIS N N 96 120.100 118.448 1.652 1
1 853 . 17 1 1 A 97 97 HIS H H 97 8.580 9.024 -0.444 1
1 854 . 17 1 1 A 97 97 HIS HA H 97 4.660 4.583 0.077 1
1 859 . 17 1 1 A 97 97 HIS CA C 97 55.400 56.413 -1.013 1
1 860 . 17 1 1 A 97 97 HIS CB C 97 29.200 30.252 -1.052 1
1 863 . 17 1 1 A 97 97 HIS N N 97 120.400 125.429 -5.029 1
1 864 . 17 1 1 A 98 98 HIS H H 98 8.390 7.320 1.070 1
1 865 . 17 1 1 A 98 98 HIS HA H 98 4.620 4.867 -0.247 1
1 870 . 17 1 1 A 98 98 HIS CA C 98 55.500 53.628 1.872 1
1 871 . 17 1 1 A 98 98 HIS CB C 98 29.100 32.875 -3.775 1
1 1 . 18 1 1 A 22 22 ALA HA H 22 4.130 4.728 -0.598 1
1 5 . 18 1 1 A 22 22 ALA CA C 22 50.900 53.187 -2.287 1
1 6 . 18 1 1 A 22 22 ALA CB C 22 20.200 18.800 1.400 1
1 7 . 18 1 1 A 23 23 GLU H H 23 7.920 9.046 -1.126 1
1 8 . 18 1 1 A 23 23 GLU HA H 23 4.710 5.008 -0.298 1
1 13 . 18 1 1 A 23 23 GLU CA C 23 54.300 54.970 -0.670 1
1 14 . 18 1 1 A 23 23 GLU CB C 23 32.500 33.435 -0.935 1
1 16 . 18 1 1 A 23 23 GLU N N 23 117.600 123.385 -5.785 1
1 17 . 18 1 1 A 24 24 ILE H H 24 8.870 8.355 0.515 1
1 18 . 18 1 1 A 24 24 ILE HA H 24 4.870 4.780 0.090 1
1 28 . 18 1 1 A 24 24 ILE CA C 24 60.200 59.910 0.290 1
1 29 . 18 1 1 A 24 24 ILE CB C 24 38.100 38.286 -0.186 1
1 33 . 18 1 1 A 24 24 ILE N N 24 123.800 122.113 1.687 1
1 34 . 18 1 1 A 25 25 MET H H 25 8.720 8.891 -0.171 1
1 35 . 18 1 1 A 25 25 MET HA H 25 4.760 5.189 -0.429 1
1 40 . 18 1 1 A 25 25 MET CA C 25 54.300 54.002 0.298 1
1 41 . 18 1 1 A 25 25 MET CB C 25 37.100 37.099 0.001 1
1 43 . 18 1 1 A 25 25 MET N N 25 127.100 124.858 2.242 1
1 44 . 18 1 1 A 26 26 LYS H H 26 9.190 8.734 0.456 1
1 45 . 18 1 1 A 26 26 LYS HA H 26 4.320 4.400 -0.080 1
1 54 . 18 1 1 A 26 26 LYS CA C 26 56.600 55.791 0.809 1
1 55 . 18 1 1 A 26 26 LYS CB C 26 32.900 33.322 -0.422 1
1 59 . 18 1 1 A 26 26 LYS N N 26 123.500 120.776 2.724 1
1 60 . 18 1 1 A 27 27 LYS H H 27 8.870 9.000 -0.130 1
1 61 . 18 1 1 A 27 27 LYS HA H 27 3.860 3.862 -0.002 1
1 70 . 18 1 1 A 27 27 LYS CA C 27 60.500 59.862 0.638 1
1 71 . 18 1 1 A 27 27 LYS CB C 27 32.400 32.260 0.140 1
1 75 . 18 1 1 A 27 27 LYS N N 27 126.200 124.155 2.045 1
1 76 . 18 1 1 A 28 28 THR H H 28 8.110 7.941 0.169 1
1 77 . 18 1 1 A 28 28 THR HA H 28 4.130 4.026 0.104 1
1 82 . 18 1 1 A 28 28 THR CA C 28 64.600 65.235 -0.635 1
1 83 . 18 1 1 A 28 28 THR CB C 28 68.000 68.780 -0.780 1
1 85 . 18 1 1 A 28 28 THR N N 28 107.100 113.999 -6.899 1
1 86 . 18 1 1 A 29 29 ASP H H 29 6.770 8.081 -1.311 1
1 87 . 18 1 1 A 29 29 ASP HA H 29 4.580 4.352 0.228 1
1 90 . 18 1 1 A 29 29 ASP CA C 29 56.600 56.959 -0.359 1
1 91 . 18 1 1 A 29 29 ASP CB C 29 40.600 40.638 -0.038 1
1 92 . 18 1 1 A 29 29 ASP N N 29 119.500 121.331 -1.831 1
1 93 . 18 1 1 A 30 30 PHE H H 30 8.630 8.784 -0.154 1
1 94 . 18 1 1 A 30 30 PHE HA H 30 3.930 3.994 -0.064 1
1 102 . 18 1 1 A 30 30 PHE CA C 30 60.800 60.381 0.419 1
1 103 . 18 1 1 A 30 30 PHE CB C 30 38.900 39.086 -0.186 1
1 107 . 18 1 1 A 30 30 PHE N N 30 123.300 120.424 2.876 1
1 108 . 18 1 1 A 31 31 ASP H H 31 8.650 8.252 0.398 1
1 109 . 18 1 1 A 31 31 ASP HA H 31 4.150 3.967 0.183 1
1 112 . 18 1 1 A 31 31 ASP CA C 31 57.000 57.295 -0.295 1
1 113 . 18 1 1 A 31 31 ASP CB C 31 39.800 41.320 -1.520 1
1 114 . 18 1 1 A 31 31 ASP N N 31 117.000 118.636 -1.636 1
1 115 . 18 1 1 A 32 32 LYS H H 32 6.930 7.655 -0.725 1
1 116 . 18 1 1 A 32 32 LYS HA H 32 4.110 4.054 0.056 1
1 125 . 18 1 1 A 32 32 LYS CA C 32 58.300 59.071 -0.771 1
1 126 . 18 1 1 A 32 32 LYS CB C 32 33.100 32.615 0.485 1
1 130 . 18 1 1 A 32 32 LYS N N 32 114.800 119.269 -4.469 1
1 131 . 18 1 1 A 33 33 VAL H H 33 7.400 7.900 -0.500 1
1 132 . 18 1 1 A 33 33 VAL HA H 33 4.620 3.892 0.728 1
1 140 . 18 1 1 A 33 33 VAL CA C 33 60.100 64.149 -4.049 1
1 141 . 18 1 1 A 33 33 VAL CB C 33 32.300 31.175 1.125 1
1 144 . 18 1 1 A 33 33 VAL N N 33 109.100 114.840 -5.740 1
1 145 . 18 1 1 A 34 34 ALA H H 34 6.710 8.309 -1.599 1
1 146 . 18 1 1 A 34 34 ALA HA H 34 3.010 3.665 -0.655 1
1 150 . 18 1 1 A 34 34 ALA CA C 34 55.100 54.294 0.806 1
1 151 . 18 1 1 A 34 34 ALA CB C 34 19.200 17.590 1.610 1
1 152 . 18 1 1 A 34 34 ALA N N 34 124.300 124.428 -0.128 1
1 153 . 18 1 1 A 35 35 SER H H 35 8.120 8.119 0.001 1
1 154 . 18 1 1 A 35 35 SER HA H 35 4.320 4.101 0.219 1
1 157 . 18 1 1 A 35 35 SER CA C 35 60.400 61.083 -0.683 1
1 158 . 18 1 1 A 35 35 SER CB C 35 62.400 63.249 -0.849 1
1 159 . 18 1 1 A 35 35 SER N N 35 110.400 113.190 -2.790 1
1 160 . 18 1 1 A 36 36 GLU H H 36 8.300 8.062 0.238 1
1 161 . 18 1 1 A 36 36 GLU HA H 36 4.270 4.496 -0.226 1
1 166 . 18 1 1 A 36 36 GLU CA C 36 55.700 56.190 -0.490 1
1 167 . 18 1 1 A 36 36 GLU CB C 36 28.900 30.342 -1.442 1
1 169 . 18 1 1 A 36 36 GLU N N 36 119.200 117.524 1.676 1
1 170 . 18 1 1 A 37 37 TYR H H 37 7.920 7.480 0.440 1
1 171 . 18 1 1 A 37 37 TYR HA H 37 5.150 5.204 -0.054 1
1 178 . 18 1 1 A 37 37 TYR CA C 37 57.900 56.371 1.529 1
1 179 . 18 1 1 A 37 37 TYR CB C 37 44.100 43.225 0.875 1
1 182 . 18 1 1 A 37 37 TYR N N 37 117.200 119.177 -1.977 1
1 183 . 18 1 1 A 38 38 THR H H 38 9.480 9.319 0.161 1
1 184 . 18 1 1 A 38 38 THR HA H 38 4.840 5.140 -0.300 1
1 189 . 18 1 1 A 38 38 THR CA C 38 60.400 60.785 -0.385 1
1 190 . 18 1 1 A 38 38 THR CB C 38 71.200 72.441 -1.241 1
1 192 . 18 1 1 A 38 38 THR N N 38 115.400 115.308 0.092 1
1 193 . 18 1 1 A 39 39 LYS H H 39 9.290 8.787 0.503 1
1 194 . 18 1 1 A 39 39 LYS HA H 39 3.880 4.127 -0.247 1
1 203 . 18 1 1 A 39 39 LYS CA C 39 57.500 54.658 2.842 1
1 204 . 18 1 1 A 39 39 LYS CB C 39 32.300 33.330 -1.030 1
1 208 . 18 1 1 A 39 39 LYS N N 39 130.400 126.880 3.520 1
1 209 . 18 1 1 A 40 40 ILE H H 40 8.820 8.608 0.212 1
1 210 . 18 1 1 A 40 40 ILE HA H 40 4.550 4.338 0.212 1
1 220 . 18 1 1 A 40 40 ILE CA C 40 60.900 61.485 -0.585 1
1 221 . 18 1 1 A 40 40 ILE CB C 40 39.200 38.322 0.878 1
1 225 . 18 1 1 A 40 40 ILE N N 40 121.900 122.679 -0.779 1
1 226 . 18 1 1 A 41 41 GLY H H 41 7.130 7.133 -0.003 1
1 227 . 18 1 1 A 41 41 GLY HA2 H 41 3.950 4.022 -0.072 1
1 228 . 18 1 1 A 41 41 GLY HA3 H 41 4.260 4.031 0.229 1
1 229 . 18 1 1 A 41 41 GLY CA C 41 45.100 44.043 1.057 1
1 230 . 18 1 1 A 41 41 GLY N N 41 107.400 109.545 -2.145 1
1 231 . 18 1 1 A 42 42 THR H H 42 8.210 8.376 -0.166 1
1 232 . 18 1 1 A 42 42 THR HA H 42 5.230 4.854 0.376 1
1 237 . 18 1 1 A 42 42 THR CA C 42 60.900 62.337 -1.437 1
1 238 . 18 1 1 A 42 42 THR CB C 42 72.300 70.685 1.615 1
1 240 . 18 1 1 A 42 42 THR N N 42 115.100 115.530 -0.430 1
1 241 . 18 1 1 A 43 43 ILE H H 43 9.130 8.930 0.200 1
1 242 . 18 1 1 A 43 43 ILE HA H 43 4.790 5.161 -0.371 1
1 252 . 18 1 1 A 43 43 ILE CA C 43 59.400 58.931 0.469 1
1 253 . 18 1 1 A 43 43 ILE CB C 43 42.600 42.081 0.519 1
1 257 . 18 1 1 A 43 43 ILE N N 43 118.000 120.535 -2.535 1
1 258 . 18 1 1 A 44 44 SER H H 44 8.330 8.689 -0.359 1
1 259 . 18 1 1 A 44 44 SER HA H 44 5.250 5.141 0.109 1
1 262 . 18 1 1 A 44 44 SER CA C 44 56.700 56.965 -0.265 1
1 263 . 18 1 1 A 44 44 SER CB C 44 66.000 64.585 1.415 1
1 264 . 18 1 1 A 44 44 SER N N 44 113.300 117.210 -3.910 1
1 265 . 18 1 1 A 45 45 THR H H 45 8.380 8.636 -0.256 1
1 266 . 18 1 1 A 45 45 THR HA H 45 4.550 5.180 -0.630 1
1 271 . 18 1 1 A 45 45 THR CA C 45 60.900 60.533 0.367 1
1 272 . 18 1 1 A 45 45 THR CB C 45 70.000 70.874 -0.874 1
1 274 . 18 1 1 A 45 45 THR N N 45 113.300 114.308 -1.008 1
1 275 . 18 1 1 A 46 46 THR H H 46 8.540 8.906 -0.366 1
1 276 . 18 1 1 A 46 46 THR HA H 46 4.400 5.474 -1.074 1
1 281 . 18 1 1 A 46 46 THR CA C 46 62.000 60.576 1.424 1
1 282 . 18 1 1 A 46 46 THR CB C 46 69.300 70.326 -1.026 1
1 284 . 18 1 1 A 46 46 THR N N 46 117.700 121.735 -4.035 1
1 285 . 18 1 1 A 47 47 GLY H H 47 8.320 8.312 0.008 1
1 286 . 18 1 1 A 47 47 GLY HA2 H 47 3.890 4.278 -0.388 1
1 287 . 18 1 1 A 47 47 GLY HA3 H 47 3.980 4.281 -0.301 1
1 288 . 18 1 1 A 47 47 GLY CA C 47 44.800 45.858 -1.058 1
1 289 . 18 1 1 A 47 47 GLY N N 47 111.700 111.881 -0.181 1
1 290 . 18 1 1 A 48 48 GLU H H 48 8.430 8.834 -0.404 1
1 291 . 18 1 1 A 48 48 GLU HA H 48 4.390 5.090 -0.700 1
1 296 . 18 1 1 A 48 48 GLU CA C 48 55.600 55.324 0.276 1
1 297 . 18 1 1 A 48 48 GLU CB C 48 29.400 31.757 -2.357 1
1 299 . 18 1 1 A 48 48 GLU N N 48 120.100 119.268 0.832 1
1 300 . 18 1 1 A 49 49 MET H H 49 8.390 8.690 -0.300 1
1 301 . 18 1 1 A 49 49 MET HA H 49 4.700 5.147 -0.447 1
1 306 . 18 1 1 A 49 49 MET CA C 49 55.000 53.945 1.055 1
1 307 . 18 1 1 A 49 49 MET CB C 49 35.900 38.033 -2.133 1
1 309 . 18 1 1 A 49 49 MET N N 49 120.000 124.073 -4.073 1
1 310 . 18 1 1 A 50 50 SER H H 50 9.020 8.603 0.417 1
1 311 . 18 1 1 A 50 50 SER HA H 50 4.780 4.704 0.076 1
1 314 . 18 1 1 A 50 50 SER CA C 50 57.700 56.962 0.738 1
1 315 . 18 1 1 A 50 50 SER CB C 50 62.600 62.903 -0.303 1
1 316 . 18 1 1 A 50 50 SER N N 50 117.900 116.479 1.421 1
1 317 . 18 1 1 A 51 51 PRO HA H 51 4.240 4.296 -0.056 1
1 324 . 18 1 1 A 51 51 PRO CA C 51 66.000 65.928 0.072 1
1 325 . 18 1 1 A 51 51 PRO CB C 51 31.800 31.877 -0.077 1
1 328 . 18 1 1 A 52 52 LEU H H 52 8.160 7.705 0.455 1
1 329 . 18 1 1 A 52 52 LEU HA H 52 4.110 4.056 0.054 1
1 339 . 18 1 1 A 52 52 LEU CA C 52 57.900 57.195 0.705 1
1 340 . 18 1 1 A 52 52 LEU CB C 52 41.400 41.897 -0.497 1
1 344 . 18 1 1 A 52 52 LEU N N 52 117.600 117.074 0.526 1
1 345 . 18 1 1 A 53 53 ASP H H 53 7.510 8.263 -0.753 1
1 346 . 18 1 1 A 53 53 ASP HA H 53 4.420 4.366 0.054 1
1 349 . 18 1 1 A 53 53 ASP CA C 53 56.600 57.331 -0.731 1
1 350 . 18 1 1 A 53 53 ASP CB C 53 39.800 39.955 -0.155 1
1 351 . 18 1 1 A 53 53 ASP N N 53 119.900 118.394 1.506 1
1 352 . 18 1 1 A 54 54 ALA H H 54 8.800 8.604 0.196 1
1 353 . 18 1 1 A 54 54 ALA HA H 54 4.210 4.038 0.172 1
1 357 . 18 1 1 A 54 54 ALA CA C 54 54.700 54.992 -0.292 1
1 358 . 18 1 1 A 54 54 ALA CB C 54 18.200 18.268 -0.068 1
1 359 . 18 1 1 A 54 54 ALA N N 54 123.400 122.626 0.774 1
1 360 . 18 1 1 A 55 55 ARG H H 55 7.860 7.841 0.019 1
1 361 . 18 1 1 A 55 55 ARG HA H 55 3.730 4.040 -0.310 1
1 368 . 18 1 1 A 55 55 ARG CA C 55 60.200 59.786 0.414 1
1 369 . 18 1 1 A 55 55 ARG CB C 55 30.100 29.836 0.264 1
1 372 . 18 1 1 A 55 55 ARG N N 55 117.100 117.590 -0.490 1
1 373 . 18 1 1 A 56 56 GLU H H 56 7.630 8.215 -0.585 1
1 374 . 18 1 1 A 56 56 GLU HA H 56 4.000 4.035 -0.035 1
1 379 . 18 1 1 A 56 56 GLU CA C 56 58.800 59.635 -0.835 1
1 380 . 18 1 1 A 56 56 GLU CB C 56 28.300 29.327 -1.027 1
1 382 . 18 1 1 A 56 56 GLU N N 56 115.900 120.035 -4.135 1
1 383 . 18 1 1 A 57 57 ASP H H 57 8.120 7.976 0.144 1
1 384 . 18 1 1 A 57 57 ASP HA H 57 4.380 4.404 -0.024 1
1 387 . 18 1 1 A 57 57 ASP CA C 57 57.400 56.889 0.511 1
1 388 . 18 1 1 A 57 57 ASP CB C 57 42.500 41.282 1.218 1
1 389 . 18 1 1 A 57 57 ASP N N 57 120.200 119.687 0.513 1
1 390 . 18 1 1 A 58 58 LEU H H 58 8.160 7.774 0.386 1
1 391 . 18 1 1 A 58 58 LEU HA H 58 3.860 4.070 -0.210 1
1 401 . 18 1 1 A 58 58 LEU CA C 58 57.500 57.766 -0.266 1
1 402 . 18 1 1 A 58 58 LEU CB C 58 41.400 41.495 -0.095 1
1 406 . 18 1 1 A 58 58 LEU N N 58 117.300 118.941 -1.641 1
1 407 . 18 1 1 A 59 59 ILE H H 59 8.020 8.493 -0.473 1
1 408 . 18 1 1 A 59 59 ILE HA H 59 3.300 3.477 -0.177 1
1 418 . 18 1 1 A 59 59 ILE CA C 59 65.700 65.717 -0.017 1
1 419 . 18 1 1 A 59 59 ILE CB C 59 37.500 37.687 -0.187 1
1 423 . 18 1 1 A 59 59 ILE N N 59 118.600 119.709 -1.109 1
1 424 . 18 1 1 A 60 60 LYS H H 60 7.890 8.394 -0.504 1
1 425 . 18 1 1 A 60 60 LYS HA H 60 4.090 3.843 0.247 1
1 434 . 18 1 1 A 60 60 LYS CA C 60 59.800 60.399 -0.599 1
1 435 . 18 1 1 A 60 60 LYS CB C 60 31.900 32.294 -0.394 1
1 439 . 18 1 1 A 60 60 LYS N N 60 119.400 119.098 0.302 1
1 440 . 18 1 1 A 61 61 LYS H H 61 8.080 7.796 0.284 1
1 441 . 18 1 1 A 61 61 LYS HA H 61 3.980 4.029 -0.049 1
1 450 . 18 1 1 A 61 61 LYS CA C 61 59.200 59.385 -0.185 1
1 451 . 18 1 1 A 61 61 LYS CB C 61 33.500 32.375 1.125 1
1 455 . 18 1 1 A 61 61 LYS N N 61 119.200 119.180 0.020 1
1 456 . 18 1 1 A 62 62 ALA H H 62 8.490 8.614 -0.124 1
1 457 . 18 1 1 A 62 62 ALA HA H 62 3.770 4.102 -0.332 1
1 461 . 18 1 1 A 62 62 ALA CA C 62 54.900 54.931 -0.031 1
1 462 . 18 1 1 A 62 62 ALA CB C 62 19.100 18.698 0.402 1
1 463 . 18 1 1 A 62 62 ALA N N 62 122.200 122.212 -0.012 1
1 464 . 18 1 1 A 63 63 ASP H H 63 8.850 8.335 0.515 1
1 465 . 18 1 1 A 63 63 ASP HA H 63 4.590 4.372 0.218 1
1 468 . 18 1 1 A 63 63 ASP CA C 63 56.900 57.363 -0.463 1
1 469 . 18 1 1 A 63 63 ASP CB C 63 39.000 41.040 -2.040 1
1 470 . 18 1 1 A 63 63 ASP N N 63 120.200 118.320 1.880 1
1 471 . 18 1 1 A 64 64 GLU H H 64 8.050 8.420 -0.370 1
1 472 . 18 1 1 A 64 64 GLU HA H 64 4.070 4.114 -0.044 1
1 477 . 18 1 1 A 64 64 GLU CA C 64 58.800 59.274 -0.474 1
1 478 . 18 1 1 A 64 64 GLU CB C 64 29.000 29.271 -0.271 1
1 480 . 18 1 1 A 64 64 GLU N N 64 121.300 119.555 1.745 1
1 481 . 18 1 1 A 65 65 LYS H H 65 7.180 7.715 -0.535 1
1 482 . 18 1 1 A 65 65 LYS HA H 65 4.310 4.483 -0.173 1
1 491 . 18 1 1 A 65 65 LYS CA C 65 54.800 56.247 -1.447 1
1 492 . 18 1 1 A 65 65 LYS CB C 65 33.000 33.247 -0.247 1
1 496 . 18 1 1 A 65 65 LYS N N 65 115.600 118.180 -2.580 1
1 497 . 18 1 1 A 66 66 GLY H H 66 7.870 7.584 0.286 1
1 498 . 18 1 1 A 66 66 GLY HA2 H 66 3.860 3.947 -0.087 1
1 499 . 18 1 1 A 66 66 GLY HA3 H 66 3.980 3.954 0.026 1
1 500 . 18 1 1 A 66 66 GLY CA C 66 45.700 46.605 -0.905 1
1 501 . 18 1 1 A 66 66 GLY N N 66 107.500 108.830 -1.330 1
1 502 . 18 1 1 A 67 67 ALA H H 67 7.920 8.178 -0.258 1
1 503 . 18 1 1 A 67 67 ALA HA H 67 4.020 4.489 -0.469 1
1 507 . 18 1 1 A 67 67 ALA CA C 67 51.700 52.207 -0.507 1
1 508 . 18 1 1 A 67 67 ALA CB C 67 21.100 20.001 1.099 1
1 509 . 18 1 1 A 67 67 ALA N N 67 118.900 122.633 -3.733 1
1 510 . 18 1 1 A 68 68 ASP H H 68 8.790 9.558 -0.768 1
1 511 . 18 1 1 A 68 68 ASP HA H 68 5.070 4.838 0.232 1
1 514 . 18 1 1 A 68 68 ASP CA C 68 56.500 55.498 1.002 1
1 515 . 18 1 1 A 68 68 ASP CB C 68 44.900 42.885 2.015 1
1 516 . 18 1 1 A 68 68 ASP N N 68 116.500 121.357 -4.857 1
1 517 . 18 1 1 A 69 69 VAL H H 69 8.070 8.158 -0.088 1
1 518 . 18 1 1 A 69 69 VAL HA H 69 5.130 4.942 0.188 1
1 526 . 18 1 1 A 69 69 VAL CA C 69 60.300 60.627 -0.327 1
1 527 . 18 1 1 A 69 69 VAL CB C 69 37.400 35.305 2.095 1
1 530 . 18 1 1 A 69 69 VAL N N 69 118.400 117.140 1.260 1
1 531 . 18 1 1 A 70 70 VAL H H 70 8.720 9.289 -0.569 1
1 532 . 18 1 1 A 70 70 VAL HA H 70 4.550 4.975 -0.425 1
1 540 . 18 1 1 A 70 70 VAL CA C 70 59.800 59.276 0.524 1
1 541 . 18 1 1 A 70 70 VAL CB C 70 34.200 35.338 -1.138 1
1 544 . 18 1 1 A 70 70 VAL N N 70 127.300 121.290 6.010 1
1 545 . 18 1 1 A 71 71 VAL H H 71 8.890 8.947 -0.057 1
1 546 . 18 1 1 A 71 71 VAL HA H 71 4.550 4.506 0.044 1
1 554 . 18 1 1 A 71 71 VAL CA C 71 60.800 60.767 0.033 1
1 555 . 18 1 1 A 71 71 VAL CB C 71 34.000 33.385 0.615 1
1 558 . 18 1 1 A 71 71 VAL N N 71 126.700 122.600 4.100 1
1 559 . 18 1 1 A 72 72 LEU H H 72 8.800 8.824 -0.024 1
1 560 . 18 1 1 A 72 72 LEU HA H 72 4.440 4.468 -0.028 1
1 570 . 18 1 1 A 72 72 LEU CA C 72 55.700 54.223 1.477 1
1 571 . 18 1 1 A 72 72 LEU CB C 72 41.500 40.638 0.862 1
1 575 . 18 1 1 A 72 72 LEU N N 72 127.400 128.162 -0.762 1
1 576 . 18 1 1 A 73 73 THR H H 73 8.630 7.836 0.794 1
1 577 . 18 1 1 A 73 73 THR HA H 73 4.430 4.210 0.220 1
1 582 . 18 1 1 A 73 73 THR CA C 73 61.500 63.186 -1.686 1
1 583 . 18 1 1 A 73 73 THR CB C 73 69.400 69.045 0.355 1
1 585 . 18 1 1 A 73 73 THR N N 73 114.000 115.514 -1.514 1
1 586 . 18 1 1 A 74 74 SER H H 74 8.130 7.185 0.945 1
1 587 . 18 1 1 A 74 74 SER HA H 74 4.540 4.286 0.254 1
1 590 . 18 1 1 A 74 74 SER CA C 74 58.000 59.961 -1.961 1
1 591 . 18 1 1 A 74 74 SER CB C 74 63.800 62.600 1.200 1
1 592 . 18 1 1 A 74 74 SER N N 74 116.000 119.596 -3.596 1
1 593 . 18 1 1 A 75 75 GLY H H 75 8.570 8.422 0.148 1
1 594 . 18 1 1 A 75 75 GLY HA2 H 75 4.040 4.194 -0.154 1
1 595 . 18 1 1 A 75 75 GLY HA3 H 75 4.040 4.199 -0.159 1
1 596 . 18 1 1 A 75 75 GLY CA C 75 45.100 45.583 -0.483 1
1 597 . 18 1 1 A 75 75 GLY N N 75 109.800 111.933 -2.133 1
1 598 . 18 1 1 A 76 76 GLN H H 76 8.390 8.457 -0.067 1
1 599 . 18 1 1 A 76 76 GLN HA H 76 4.490 4.096 0.394 1
1 606 . 18 1 1 A 76 76 GLN CA C 76 55.900 58.661 -2.761 1
1 607 . 18 1 1 A 76 76 GLN CB C 76 29.600 29.046 0.554 1
1 609 . 18 1 1 A 76 76 GLN N N 76 119.200 119.101 0.099 1
1 611 . 18 1 1 A 77 77 THR H H 77 8.100 7.898 0.202 1
1 612 . 18 1 1 A 77 77 THR HA H 77 4.420 4.661 -0.241 1
1 617 . 18 1 1 A 77 77 THR CA C 77 61.300 62.992 -1.692 1
1 618 . 18 1 1 A 77 77 THR CB C 77 69.700 70.078 -0.378 1
1 620 . 18 1 1 A 77 77 THR N N 77 113.000 110.921 2.079 1
1 621 . 18 1 1 A 78 78 GLU H H 78 8.450 8.451 -0.001 1
1 622 . 18 1 1 A 78 78 GLU HA H 78 4.250 4.527 -0.277 1
1 627 . 18 1 1 A 78 78 GLU CA C 78 56.900 57.464 -0.564 1
1 628 . 18 1 1 A 78 78 GLU CB C 78 29.500 31.965 -2.465 1
1 630 . 18 1 1 A 78 78 GLU N N 78 120.700 118.617 2.083 1
1 631 . 18 1 1 A 79 79 ASN H H 79 8.320 8.713 -0.393 1
1 632 . 18 1 1 A 79 79 ASN HA H 79 4.600 4.629 -0.029 1
1 637 . 18 1 1 A 79 79 ASN CA C 79 53.700 55.344 -1.644 1
1 638 . 18 1 1 A 79 79 ASN CB C 79 38.600 38.769 -0.169 1
1 639 . 18 1 1 A 79 79 ASN N N 79 117.000 117.023 -0.023 1
1 641 . 18 1 1 A 80 80 LYS H H 80 7.910 8.059 -0.149 1
1 642 . 18 1 1 A 80 80 LYS HA H 80 4.300 4.298 0.002 1
1 651 . 18 1 1 A 80 80 LYS CA C 80 56.000 56.375 -0.375 1
1 652 . 18 1 1 A 80 80 LYS CB C 80 33.300 31.939 1.361 1
1 656 . 18 1 1 A 80 80 LYS N N 80 118.800 113.982 4.818 1
1 657 . 18 1 1 A 81 81 ILE H H 81 8.340 7.636 0.704 1
1 658 . 18 1 1 A 81 81 ILE HA H 81 4.300 5.058 -0.758 1
1 668 . 18 1 1 A 81 81 ILE CA C 81 60.500 59.639 0.861 1
1 669 . 18 1 1 A 81 81 ILE CB C 81 39.800 39.657 0.143 1
1 673 . 18 1 1 A 81 81 ILE N N 81 119.600 116.824 2.776 1
1 674 . 18 1 1 A 82 82 HIS H H 82 8.470 9.135 -0.665 1
1 675 . 18 1 1 A 82 82 HIS HA H 82 4.780 5.068 -0.288 1
1 680 . 18 1 1 A 82 82 HIS CA C 82 54.700 53.814 0.886 1
1 681 . 18 1 1 A 82 82 HIS CB C 82 28.900 30.539 -1.639 1
1 684 . 18 1 1 A 82 82 HIS N N 82 121.600 124.262 -2.662 1
1 685 . 18 1 1 A 83 83 GLY H H 83 8.340 8.496 -0.156 1
1 686 . 18 1 1 A 83 83 GLY HA2 H 83 3.690 3.810 -0.120 1
1 687 . 18 1 1 A 83 83 GLY HA3 H 83 4.190 3.820 0.370 1
1 688 . 18 1 1 A 83 83 GLY CA C 83 45.000 45.826 -0.826 1
1 689 . 18 1 1 A 83 83 GLY N N 83 111.600 113.582 -1.982 1
1 690 . 18 1 1 A 84 84 THR H H 84 8.120 8.408 -0.288 1
1 691 . 18 1 1 A 84 84 THR HA H 84 5.030 5.360 -0.330 1
1 696 . 18 1 1 A 84 84 THR CA C 84 60.100 59.565 0.535 1
1 697 . 18 1 1 A 84 84 THR CB C 84 72.000 71.745 0.255 1
1 699 . 18 1 1 A 84 84 THR N N 84 112.300 113.130 -0.830 1
1 700 . 18 1 1 A 85 85 ALA H H 85 8.840 8.999 -0.159 1
1 701 . 18 1 1 A 85 85 ALA HA H 85 4.950 5.273 -0.323 1
1 705 . 18 1 1 A 85 85 ALA CA C 85 51.200 50.391 0.809 1
1 706 . 18 1 1 A 85 85 ALA CB C 85 23.800 22.404 1.396 1
1 707 . 18 1 1 A 85 85 ALA N N 85 122.500 124.391 -1.891 1
1 708 . 18 1 1 A 86 86 ASP H H 86 8.510 9.027 -0.517 1
1 709 . 18 1 1 A 86 86 ASP HA H 86 5.200 5.126 0.074 1
1 712 . 18 1 1 A 86 86 ASP CA C 86 53.400 53.131 0.269 1
1 713 . 18 1 1 A 86 86 ASP CB C 86 43.100 42.519 0.581 1
1 714 . 18 1 1 A 86 86 ASP N N 86 121.400 123.249 -1.849 1
1 715 . 18 1 1 A 87 87 ILE H H 87 7.970 9.004 -1.034 1
1 716 . 18 1 1 A 87 87 ILE HA H 87 5.370 5.234 0.136 1
1 726 . 18 1 1 A 87 87 ILE CA C 87 58.200 59.339 -1.139 1
1 727 . 18 1 1 A 87 87 ILE CB C 87 41.200 40.883 0.317 1
1 731 . 18 1 1 A 87 87 ILE N N 87 111.200 120.918 -9.718 1
1 732 . 18 1 1 A 88 88 TYR H H 88 8.750 9.819 -1.069 1
1 733 . 18 1 1 A 88 88 TYR HA H 88 5.440 5.452 -0.012 1
1 740 . 18 1 1 A 88 88 TYR CA C 88 56.900 56.311 0.589 1
1 741 . 18 1 1 A 88 88 TYR CB C 88 44.000 43.667 0.333 1
1 744 . 18 1 1 A 88 88 TYR N N 88 118.000 121.706 -3.706 1
1 745 . 18 1 1 A 89 89 LYS H H 89 9.590 9.623 -0.033 1
1 746 . 18 1 1 A 89 89 LYS HA H 89 5.170 5.117 0.053 1
1 755 . 18 1 1 A 89 89 LYS CA C 89 54.400 54.015 0.385 1
1 756 . 18 1 1 A 89 89 LYS CB C 89 36.800 36.087 0.713 1
1 760 . 18 1 1 A 89 89 LYS N N 89 123.500 122.391 1.109 1
1 761 . 18 1 1 A 90 90 LYS H H 90 10.190 8.249 1.941 1
1 762 . 18 1 1 A 90 90 LYS HA H 90 3.810 3.627 0.183 1
1 771 . 18 1 1 A 90 90 LYS CA C 90 57.500 56.372 1.128 1
1 772 . 18 1 1 A 90 90 LYS CB C 90 32.700 33.008 -0.308 1
1 776 . 18 1 1 A 90 90 LYS N N 90 129.200 124.763 4.437 1
1 777 . 18 1 1 A 91 91 LYS H H 91 8.450 8.584 -0.134 1
1 778 . 18 1 1 A 91 91 LYS HA H 91 4.100 4.530 -0.430 1
1 787 . 18 1 1 A 91 91 LYS CA C 91 57.300 54.898 2.402 1
1 788 . 18 1 1 A 91 91 LYS CB C 91 33.100 34.431 -1.331 1
1 792 . 18 1 1 A 91 91 LYS N N 91 125.900 121.400 4.500 1
1 793 . 18 1 1 A 92 92 LEU H H 92 8.270 8.299 -0.029 1
1 794 . 18 1 1 A 92 92 LEU HA H 92 4.280 4.470 -0.190 1
1 804 . 18 1 1 A 92 92 LEU CA C 92 54.600 54.986 -0.386 1
1 805 . 18 1 1 A 92 92 LEU CB C 92 42.100 41.499 0.601 1
1 809 . 18 1 1 A 92 92 LEU N N 92 123.200 120.367 2.833 1
1 810 . 18 1 1 A 93 93 GLU H H 93 8.310 7.678 0.632 1
1 811 . 18 1 1 A 93 93 GLU HA H 93 4.220 4.387 -0.167 1
1 816 . 18 1 1 A 93 93 GLU CA C 93 55.700 56.758 -1.058 1
1 817 . 18 1 1 A 93 93 GLU CB C 93 30.200 30.309 -0.109 1
1 819 . 18 1 1 A 93 93 GLU N N 93 122.000 121.203 0.797 1
1 820 . 18 1 1 A 94 94 HIS H H 94 8.570 9.026 -0.456 1
1 821 . 18 1 1 A 94 94 HIS HA H 94 4.630 4.787 -0.157 1
1 826 . 18 1 1 A 94 94 HIS CA C 94 55.000 54.550 0.450 1
1 827 . 18 1 1 A 94 94 HIS CB C 94 28.900 27.533 1.367 1
1 830 . 18 1 1 A 94 94 HIS N N 94 119.700 124.256 -4.556 1
1 831 . 18 1 1 A 95 95 HIS H H 95 8.610 8.550 0.060 1
1 832 . 18 1 1 A 95 95 HIS HA H 95 4.650 4.414 0.236 1
1 837 . 18 1 1 A 95 95 HIS CA C 95 55.200 58.850 -3.650 1
1 838 . 18 1 1 A 95 95 HIS CB C 95 28.900 30.950 -2.050 1
1 841 . 18 1 1 A 95 95 HIS N N 95 119.300 122.153 -2.853 1
1 842 . 18 1 1 A 96 96 HIS H H 96 8.680 8.134 0.546 1
1 843 . 18 1 1 A 96 96 HIS HA H 96 4.660 4.947 -0.287 1
1 848 . 18 1 1 A 96 96 HIS CA C 96 55.200 53.721 1.479 1
1 849 . 18 1 1 A 96 96 HIS CB C 96 29.100 30.905 -1.805 1
1 852 . 18 1 1 A 96 96 HIS N N 96 120.100 117.314 2.786 1
1 853 . 18 1 1 A 97 97 HIS H H 97 8.580 8.961 -0.381 1
1 854 . 18 1 1 A 97 97 HIS HA H 97 4.660 5.297 -0.637 1
1 859 . 18 1 1 A 97 97 HIS CA C 97 55.400 53.913 1.487 1
1 860 . 18 1 1 A 97 97 HIS CB C 97 29.200 32.409 -3.209 1
1 863 . 18 1 1 A 97 97 HIS N N 97 120.400 128.446 -8.046 1
1 864 . 18 1 1 A 98 98 HIS H H 98 8.390 8.849 -0.459 1
1 865 . 18 1 1 A 98 98 HIS HA H 98 4.620 4.604 0.016 1
1 870 . 18 1 1 A 98 98 HIS CA C 98 55.500 55.722 -0.222 1
1 871 . 18 1 1 A 98 98 HIS CB C 98 29.100 30.956 -1.856 1
1 1 . 19 1 1 A 22 22 ALA HA H 22 4.130 4.513 -0.383 1
1 5 . 19 1 1 A 22 22 ALA CA C 22 50.900 52.693 -1.793 1
1 6 . 19 1 1 A 22 22 ALA CB C 22 20.200 19.017 1.183 1
1 7 . 19 1 1 A 23 23 GLU H H 23 7.920 9.255 -1.335 1
1 8 . 19 1 1 A 23 23 GLU HA H 23 4.710 4.966 -0.256 1
1 13 . 19 1 1 A 23 23 GLU CA C 23 54.300 54.730 -0.430 1
1 14 . 19 1 1 A 23 23 GLU CB C 23 32.500 33.287 -0.787 1
1 16 . 19 1 1 A 23 23 GLU N N 23 117.600 123.115 -5.515 1
1 17 . 19 1 1 A 24 24 ILE H H 24 8.870 8.743 0.127 1
1 18 . 19 1 1 A 24 24 ILE HA H 24 4.870 4.677 0.193 1
1 28 . 19 1 1 A 24 24 ILE CA C 24 60.200 60.387 -0.187 1
1 29 . 19 1 1 A 24 24 ILE CB C 24 38.100 38.834 -0.734 1
1 33 . 19 1 1 A 24 24 ILE N N 24 123.800 125.975 -2.175 1
1 34 . 19 1 1 A 25 25 MET H H 25 8.720 8.610 0.110 1
1 35 . 19 1 1 A 25 25 MET HA H 25 4.760 5.052 -0.292 1
1 40 . 19 1 1 A 25 25 MET CA C 25 54.300 53.807 0.493 1
1 41 . 19 1 1 A 25 25 MET CB C 25 37.100 34.790 2.310 1
1 43 . 19 1 1 A 25 25 MET N N 25 127.100 125.926 1.174 1
1 44 . 19 1 1 A 26 26 LYS H H 26 9.190 8.696 0.494 1
1 45 . 19 1 1 A 26 26 LYS HA H 26 4.320 4.263 0.057 1
1 54 . 19 1 1 A 26 26 LYS CA C 26 56.600 56.501 0.099 1
1 55 . 19 1 1 A 26 26 LYS CB C 26 32.900 33.063 -0.163 1
1 59 . 19 1 1 A 26 26 LYS N N 26 123.500 121.164 2.336 1
1 60 . 19 1 1 A 27 27 LYS H H 27 8.870 8.995 -0.125 1
1 61 . 19 1 1 A 27 27 LYS HA H 27 3.860 3.866 -0.006 1
1 70 . 19 1 1 A 27 27 LYS CA C 27 60.500 59.900 0.600 1
1 71 . 19 1 1 A 27 27 LYS CB C 27 32.400 32.008 0.392 1
1 75 . 19 1 1 A 27 27 LYS N N 27 126.200 124.077 2.123 1
1 76 . 19 1 1 A 28 28 THR H H 28 8.110 8.112 -0.002 1
1 77 . 19 1 1 A 28 28 THR HA H 28 4.130 3.918 0.212 1
1 82 . 19 1 1 A 28 28 THR CA C 28 64.600 67.320 -2.720 1
1 83 . 19 1 1 A 28 28 THR CB C 28 68.000 68.231 -0.231 1
1 85 . 19 1 1 A 28 28 THR N N 28 107.100 116.873 -9.773 1
1 86 . 19 1 1 A 29 29 ASP H H 29 6.770 8.112 -1.342 1
1 87 . 19 1 1 A 29 29 ASP HA H 29 4.580 4.322 0.258 1
1 90 . 19 1 1 A 29 29 ASP CA C 29 56.600 56.910 -0.310 1
1 91 . 19 1 1 A 29 29 ASP CB C 29 40.600 41.055 -0.455 1
1 92 . 19 1 1 A 29 29 ASP N N 29 119.500 121.026 -1.526 1
1 93 . 19 1 1 A 30 30 PHE H H 30 8.630 8.991 -0.361 1
1 94 . 19 1 1 A 30 30 PHE HA H 30 3.930 3.932 -0.002 1
1 102 . 19 1 1 A 30 30 PHE CA C 30 60.800 60.481 0.319 1
1 103 . 19 1 1 A 30 30 PHE CB C 30 38.900 38.957 -0.057 1
1 107 . 19 1 1 A 30 30 PHE N N 30 123.300 120.458 2.842 1
1 108 . 19 1 1 A 31 31 ASP H H 31 8.650 8.256 0.394 1
1 109 . 19 1 1 A 31 31 ASP HA H 31 4.150 3.870 0.280 1
1 112 . 19 1 1 A 31 31 ASP CA C 31 57.000 56.618 0.382 1
1 113 . 19 1 1 A 31 31 ASP CB C 31 39.800 39.791 0.009 1
1 114 . 19 1 1 A 31 31 ASP N N 31 117.000 118.268 -1.268 1
1 115 . 19 1 1 A 32 32 LYS H H 32 6.930 7.593 -0.663 1
1 116 . 19 1 1 A 32 32 LYS HA H 32 4.110 4.011 0.099 1
1 125 . 19 1 1 A 32 32 LYS CA C 32 58.300 59.378 -1.078 1
1 126 . 19 1 1 A 32 32 LYS CB C 32 33.100 32.590 0.510 1
1 130 . 19 1 1 A 32 32 LYS N N 32 114.800 118.352 -3.552 1
1 131 . 19 1 1 A 33 33 VAL H H 33 7.400 8.042 -0.642 1
1 132 . 19 1 1 A 33 33 VAL HA H 33 4.620 4.016 0.604 1
1 140 . 19 1 1 A 33 33 VAL CA C 33 60.100 64.100 -4.000 1
1 141 . 19 1 1 A 33 33 VAL CB C 33 32.300 31.007 1.293 1
1 144 . 19 1 1 A 33 33 VAL N N 33 109.100 115.260 -6.160 1
1 145 . 19 1 1 A 34 34 ALA H H 34 6.710 7.987 -1.277 1
1 146 . 19 1 1 A 34 34 ALA HA H 34 3.010 3.731 -0.721 1
1 150 . 19 1 1 A 34 34 ALA CA C 34 55.100 54.150 0.950 1
1 151 . 19 1 1 A 34 34 ALA CB C 34 19.200 17.777 1.423 1
1 152 . 19 1 1 A 34 34 ALA N N 34 124.300 125.014 -0.714 1
1 153 . 19 1 1 A 35 35 SER H H 35 8.120 7.498 0.622 1
1 154 . 19 1 1 A 35 35 SER HA H 35 4.320 4.073 0.247 1
1 157 . 19 1 1 A 35 35 SER CA C 35 60.400 61.271 -0.871 1
1 158 . 19 1 1 A 35 35 SER CB C 35 62.400 63.199 -0.799 1
1 159 . 19 1 1 A 35 35 SER N N 35 110.400 112.950 -2.550 1
1 160 . 19 1 1 A 36 36 GLU H H 36 8.300 8.143 0.157 1
1 161 . 19 1 1 A 36 36 GLU HA H 36 4.270 4.472 -0.202 1
1 166 . 19 1 1 A 36 36 GLU CA C 36 55.700 56.149 -0.449 1
1 167 . 19 1 1 A 36 36 GLU CB C 36 28.900 30.247 -1.347 1
1 169 . 19 1 1 A 36 36 GLU N N 36 119.200 117.447 1.753 1
1 170 . 19 1 1 A 37 37 TYR H H 37 7.920 7.684 0.236 1
1 171 . 19 1 1 A 37 37 TYR HA H 37 5.150 5.233 -0.083 1
1 178 . 19 1 1 A 37 37 TYR CA C 37 57.900 56.393 1.507 1
1 179 . 19 1 1 A 37 37 TYR CB C 37 44.100 42.883 1.217 1
1 182 . 19 1 1 A 37 37 TYR N N 37 117.200 119.081 -1.881 1
1 183 . 19 1 1 A 38 38 THR H H 38 9.480 9.241 0.239 1
1 184 . 19 1 1 A 38 38 THR HA H 38 4.840 4.951 -0.111 1
1 189 . 19 1 1 A 38 38 THR CA C 38 60.400 61.478 -1.078 1
1 190 . 19 1 1 A 38 38 THR CB C 38 71.200 71.722 -0.522 1
1 192 . 19 1 1 A 38 38 THR N N 38 115.400 115.804 -0.404 1
1 193 . 19 1 1 A 39 39 LYS H H 39 9.290 8.645 0.645 1
1 194 . 19 1 1 A 39 39 LYS HA H 39 3.880 3.972 -0.092 1
1 203 . 19 1 1 A 39 39 LYS CA C 39 57.500 56.198 1.302 1
1 204 . 19 1 1 A 39 39 LYS CB C 39 32.300 31.802 0.498 1
1 208 . 19 1 1 A 39 39 LYS N N 39 130.400 128.409 1.991 1
1 209 . 19 1 1 A 40 40 ILE H H 40 8.820 8.616 0.204 1
1 210 . 19 1 1 A 40 40 ILE HA H 40 4.550 4.206 0.344 1
1 220 . 19 1 1 A 40 40 ILE CA C 40 60.900 61.797 -0.897 1
1 221 . 19 1 1 A 40 40 ILE CB C 40 39.200 38.289 0.911 1
1 225 . 19 1 1 A 40 40 ILE N N 40 121.900 122.706 -0.806 1
1 226 . 19 1 1 A 41 41 GLY H H 41 7.130 7.159 -0.029 1
1 227 . 19 1 1 A 41 41 GLY HA2 H 41 3.950 4.031 -0.081 1
1 228 . 19 1 1 A 41 41 GLY HA3 H 41 4.260 4.045 0.215 1
1 229 . 19 1 1 A 41 41 GLY CA C 41 45.100 44.626 0.474 1
1 230 . 19 1 1 A 41 41 GLY N N 41 107.400 108.747 -1.347 1
1 231 . 19 1 1 A 42 42 THR H H 42 8.210 8.257 -0.047 1
1 232 . 19 1 1 A 42 42 THR HA H 42 5.230 4.998 0.232 1
1 237 . 19 1 1 A 42 42 THR CA C 42 60.900 61.472 -0.572 1
1 238 . 19 1 1 A 42 42 THR CB C 42 72.300 71.114 1.186 1
1 240 . 19 1 1 A 42 42 THR N N 42 115.100 115.783 -0.683 1
1 241 . 19 1 1 A 43 43 ILE H H 43 9.130 9.076 0.054 1
1 242 . 19 1 1 A 43 43 ILE HA H 43 4.790 5.158 -0.368 1
1 252 . 19 1 1 A 43 43 ILE CA C 43 59.400 58.953 0.447 1
1 253 . 19 1 1 A 43 43 ILE CB C 43 42.600 41.990 0.610 1
1 257 . 19 1 1 A 43 43 ILE N N 43 118.000 119.694 -1.694 1
1 258 . 19 1 1 A 44 44 SER H H 44 8.330 8.780 -0.450 1
1 259 . 19 1 1 A 44 44 SER HA H 44 5.250 4.882 0.368 1
1 262 . 19 1 1 A 44 44 SER CA C 44 56.700 56.797 -0.097 1
1 263 . 19 1 1 A 44 44 SER CB C 44 66.000 64.854 1.146 1
1 264 . 19 1 1 A 44 44 SER N N 44 113.300 117.101 -3.801 1
1 265 . 19 1 1 A 45 45 THR H H 45 8.380 8.579 -0.199 1
1 266 . 19 1 1 A 45 45 THR HA H 45 4.550 5.370 -0.820 1
1 271 . 19 1 1 A 45 45 THR CA C 45 60.900 60.517 0.383 1
1 272 . 19 1 1 A 45 45 THR CB C 45 70.000 70.799 -0.799 1
1 274 . 19 1 1 A 45 45 THR N N 45 113.300 114.332 -1.032 1
1 275 . 19 1 1 A 46 46 THR H H 46 8.540 8.891 -0.351 1
1 276 . 19 1 1 A 46 46 THR HA H 46 4.400 5.010 -0.610 1
1 281 . 19 1 1 A 46 46 THR CA C 46 62.000 60.778 1.222 1
1 282 . 19 1 1 A 46 46 THR CB C 46 69.300 70.787 -1.487 1
1 284 . 19 1 1 A 46 46 THR N N 46 117.700 120.694 -2.994 1
1 285 . 19 1 1 A 47 47 GLY H H 47 8.320 8.397 -0.077 1
1 286 . 19 1 1 A 47 47 GLY HA2 H 47 3.890 4.003 -0.113 1
1 287 . 19 1 1 A 47 47 GLY HA3 H 47 3.980 4.004 -0.024 1
1 288 . 19 1 1 A 47 47 GLY CA C 47 44.800 45.371 -0.571 1
1 289 . 19 1 1 A 47 47 GLY N N 47 111.700 114.863 -3.163 1
1 290 . 19 1 1 A 48 48 GLU H H 48 8.430 8.204 0.226 1
1 291 . 19 1 1 A 48 48 GLU HA H 48 4.390 3.915 0.475 1
1 296 . 19 1 1 A 48 48 GLU CA C 48 55.600 57.238 -1.638 1
1 297 . 19 1 1 A 48 48 GLU CB C 48 29.400 27.776 1.624 1
1 299 . 19 1 1 A 48 48 GLU N N 48 120.100 116.945 3.155 1
1 300 . 19 1 1 A 49 49 MET H H 49 8.390 8.045 0.345 1
1 301 . 19 1 1 A 49 49 MET HA H 49 4.700 5.112 -0.412 1
1 306 . 19 1 1 A 49 49 MET CA C 49 55.000 53.865 1.135 1
1 307 . 19 1 1 A 49 49 MET CB C 49 35.900 36.422 -0.522 1
1 309 . 19 1 1 A 49 49 MET N N 49 120.000 118.565 1.435 1
1 310 . 19 1 1 A 50 50 SER H H 50 9.020 8.521 0.499 1
1 311 . 19 1 1 A 50 50 SER HA H 50 4.780 4.546 0.234 1
1 314 . 19 1 1 A 50 50 SER CA C 50 57.700 57.367 0.333 1
1 315 . 19 1 1 A 50 50 SER CB C 50 62.600 62.509 0.091 1
1 316 . 19 1 1 A 50 50 SER N N 50 117.900 116.591 1.309 1
1 317 . 19 1 1 A 51 51 PRO HA H 51 4.240 4.293 -0.053 1
1 324 . 19 1 1 A 51 51 PRO CA C 51 66.000 65.794 0.206 1
1 325 . 19 1 1 A 51 51 PRO CB C 51 31.800 31.817 -0.017 1
1 328 . 19 1 1 A 52 52 LEU H H 52 8.160 7.679 0.481 1
1 329 . 19 1 1 A 52 52 LEU HA H 52 4.110 3.989 0.121 1
1 339 . 19 1 1 A 52 52 LEU CA C 52 57.900 57.578 0.322 1
1 340 . 19 1 1 A 52 52 LEU CB C 52 41.400 41.206 0.194 1
1 344 . 19 1 1 A 52 52 LEU N N 52 117.600 116.780 0.820 1
1 345 . 19 1 1 A 53 53 ASP H H 53 7.510 8.308 -0.798 1
1 346 . 19 1 1 A 53 53 ASP HA H 53 4.420 4.306 0.114 1
1 349 . 19 1 1 A 53 53 ASP CA C 53 56.600 57.693 -1.093 1
1 350 . 19 1 1 A 53 53 ASP CB C 53 39.800 40.961 -1.161 1
1 351 . 19 1 1 A 53 53 ASP N N 53 119.900 120.226 -0.326 1
1 352 . 19 1 1 A 54 54 ALA H H 54 8.800 8.539 0.261 1
1 353 . 19 1 1 A 54 54 ALA HA H 54 4.210 4.007 0.203 1
1 357 . 19 1 1 A 54 54 ALA CA C 54 54.700 55.040 -0.340 1
1 358 . 19 1 1 A 54 54 ALA CB C 54 18.200 18.214 -0.014 1
1 359 . 19 1 1 A 54 54 ALA N N 54 123.400 121.370 2.030 1
1 360 . 19 1 1 A 55 55 ARG H H 55 7.860 7.439 0.421 1
1 361 . 19 1 1 A 55 55 ARG HA H 55 3.730 4.103 -0.373 1
1 368 . 19 1 1 A 55 55 ARG CA C 55 60.200 59.603 0.597 1
1 369 . 19 1 1 A 55 55 ARG CB C 55 30.100 30.081 0.019 1
1 372 . 19 1 1 A 55 55 ARG N N 55 117.100 117.568 -0.468 1
1 373 . 19 1 1 A 56 56 GLU H H 56 7.630 8.209 -0.579 1
1 374 . 19 1 1 A 56 56 GLU HA H 56 4.000 3.996 0.004 1
1 379 . 19 1 1 A 56 56 GLU CA C 56 58.800 59.618 -0.818 1
1 380 . 19 1 1 A 56 56 GLU CB C 56 28.300 29.046 -0.746 1
1 382 . 19 1 1 A 56 56 GLU N N 56 115.900 119.905 -4.005 1
1 383 . 19 1 1 A 57 57 ASP H H 57 8.120 7.807 0.313 1
1 384 . 19 1 1 A 57 57 ASP HA H 57 4.380 4.400 -0.020 1
1 387 . 19 1 1 A 57 57 ASP CA C 57 57.400 56.793 0.607 1
1 388 . 19 1 1 A 57 57 ASP CB C 57 42.500 40.792 1.708 1
1 389 . 19 1 1 A 57 57 ASP N N 57 120.200 119.542 0.658 1
1 390 . 19 1 1 A 58 58 LEU H H 58 8.160 8.057 0.103 1
1 391 . 19 1 1 A 58 58 LEU HA H 58 3.860 4.026 -0.166 1
1 401 . 19 1 1 A 58 58 LEU CA C 58 57.500 58.157 -0.657 1
1 402 . 19 1 1 A 58 58 LEU CB C 58 41.400 41.765 -0.365 1
1 406 . 19 1 1 A 58 58 LEU N N 58 117.300 119.407 -2.107 1
1 407 . 19 1 1 A 59 59 ILE H H 59 8.020 8.135 -0.115 1
1 408 . 19 1 1 A 59 59 ILE HA H 59 3.300 3.510 -0.210 1
1 418 . 19 1 1 A 59 59 ILE CA C 59 65.700 65.028 0.672 1
1 419 . 19 1 1 A 59 59 ILE CB C 59 37.500 37.281 0.219 1
1 423 . 19 1 1 A 59 59 ILE N N 59 118.600 119.930 -1.330 1
1 424 . 19 1 1 A 60 60 LYS H H 60 7.890 8.172 -0.282 1
1 425 . 19 1 1 A 60 60 LYS HA H 60 4.090 3.898 0.192 1
1 434 . 19 1 1 A 60 60 LYS CA C 60 59.800 60.280 -0.480 1
1 435 . 19 1 1 A 60 60 LYS CB C 60 31.900 32.404 -0.504 1
1 439 . 19 1 1 A 60 60 LYS N N 60 119.400 119.305 0.095 1
1 440 . 19 1 1 A 61 61 LYS H H 61 8.080 8.333 -0.253 1
1 441 . 19 1 1 A 61 61 LYS HA H 61 3.980 4.096 -0.116 1
1 450 . 19 1 1 A 61 61 LYS CA C 61 59.200 58.801 0.399 1
1 451 . 19 1 1 A 61 61 LYS CB C 61 33.500 32.210 1.290 1
1 455 . 19 1 1 A 61 61 LYS N N 61 119.200 119.454 -0.254 1
1 456 . 19 1 1 A 62 62 ALA H H 62 8.490 8.328 0.162 1
1 457 . 19 1 1 A 62 62 ALA HA H 62 3.770 4.044 -0.274 1
1 461 . 19 1 1 A 62 62 ALA CA C 62 54.900 55.122 -0.222 1
1 462 . 19 1 1 A 62 62 ALA CB C 62 19.100 18.461 0.639 1
1 463 . 19 1 1 A 62 62 ALA N N 62 122.200 122.088 0.112 1
1 464 . 19 1 1 A 63 63 ASP H H 63 8.850 8.141 0.709 1
1 465 . 19 1 1 A 63 63 ASP HA H 63 4.590 4.243 0.347 1
1 468 . 19 1 1 A 63 63 ASP CA C 63 56.900 57.649 -0.749 1
1 469 . 19 1 1 A 63 63 ASP CB C 63 39.000 41.665 -2.665 1
1 470 . 19 1 1 A 63 63 ASP N N 63 120.200 118.371 1.829 1
1 471 . 19 1 1 A 64 64 GLU H H 64 8.050 8.430 -0.380 1
1 472 . 19 1 1 A 64 64 GLU HA H 64 4.070 4.127 -0.057 1
1 477 . 19 1 1 A 64 64 GLU CA C 64 58.800 59.169 -0.369 1
1 478 . 19 1 1 A 64 64 GLU CB C 64 29.000 29.393 -0.393 1
1 480 . 19 1 1 A 64 64 GLU N N 64 121.300 118.989 2.311 1
1 481 . 19 1 1 A 65 65 LYS H H 65 7.180 7.875 -0.695 1
1 482 . 19 1 1 A 65 65 LYS HA H 65 4.310 4.204 0.106 1
1 491 . 19 1 1 A 65 65 LYS CA C 65 54.800 56.205 -1.405 1
1 492 . 19 1 1 A 65 65 LYS CB C 65 33.000 32.775 0.225 1
1 496 . 19 1 1 A 65 65 LYS N N 65 115.600 117.458 -1.858 1
1 497 . 19 1 1 A 66 66 GLY H H 66 7.870 7.486 0.384 1
1 498 . 19 1 1 A 66 66 GLY HA2 H 66 3.860 3.296 0.564 1
1 499 . 19 1 1 A 66 66 GLY HA3 H 66 3.980 3.757 0.223 1
1 500 . 19 1 1 A 66 66 GLY CA C 66 45.700 45.923 -0.223 1
1 501 . 19 1 1 A 66 66 GLY N N 66 107.500 107.632 -0.132 1
1 502 . 19 1 1 A 67 67 ALA H H 67 7.920 7.577 0.343 1
1 503 . 19 1 1 A 67 67 ALA HA H 67 4.020 4.501 -0.481 1
1 507 . 19 1 1 A 67 67 ALA CA C 67 51.700 51.226 0.474 1
1 508 . 19 1 1 A 67 67 ALA CB C 67 21.100 20.150 0.950 1
1 509 . 19 1 1 A 67 67 ALA N N 67 118.900 122.665 -3.765 1
1 510 . 19 1 1 A 68 68 ASP H H 68 8.790 9.212 -0.422 1
1 511 . 19 1 1 A 68 68 ASP HA H 68 5.070 4.650 0.420 1
1 514 . 19 1 1 A 68 68 ASP CA C 68 56.500 55.582 0.918 1
1 515 . 19 1 1 A 68 68 ASP CB C 68 44.900 42.280 2.620 1
1 516 . 19 1 1 A 68 68 ASP N N 68 116.500 121.656 -5.156 1
1 517 . 19 1 1 A 69 69 VAL H H 69 8.070 8.027 0.043 1
1 518 . 19 1 1 A 69 69 VAL HA H 69 5.130 5.133 -0.003 1
1 526 . 19 1 1 A 69 69 VAL CA C 69 60.300 60.616 -0.316 1
1 527 . 19 1 1 A 69 69 VAL CB C 69 37.400 35.439 1.961 1
1 530 . 19 1 1 A 69 69 VAL N N 69 118.400 117.008 1.392 1
1 531 . 19 1 1 A 70 70 VAL H H 70 8.720 8.945 -0.225 1
1 532 . 19 1 1 A 70 70 VAL HA H 70 4.550 4.966 -0.416 1
1 540 . 19 1 1 A 70 70 VAL CA C 70 59.800 59.330 0.470 1
1 541 . 19 1 1 A 70 70 VAL CB C 70 34.200 34.814 -0.614 1
1 544 . 19 1 1 A 70 70 VAL N N 70 127.300 121.587 5.713 1
1 545 . 19 1 1 A 71 71 VAL H H 71 8.890 8.912 -0.022 1
1 546 . 19 1 1 A 71 71 VAL HA H 71 4.550 4.573 -0.023 1
1 554 . 19 1 1 A 71 71 VAL CA C 71 60.800 60.390 0.410 1
1 555 . 19 1 1 A 71 71 VAL CB C 71 34.000 34.552 -0.552 1
1 558 . 19 1 1 A 71 71 VAL N N 71 126.700 122.406 4.294 1
1 559 . 19 1 1 A 72 72 LEU H H 72 8.800 8.698 0.102 1
1 560 . 19 1 1 A 72 72 LEU HA H 72 4.440 4.402 0.038 1
1 570 . 19 1 1 A 72 72 LEU CA C 72 55.700 54.303 1.397 1
1 571 . 19 1 1 A 72 72 LEU CB C 72 41.500 40.888 0.612 1
1 575 . 19 1 1 A 72 72 LEU N N 72 127.400 127.764 -0.364 1
1 576 . 19 1 1 A 73 73 THR H H 73 8.630 7.998 0.632 1
1 577 . 19 1 1 A 73 73 THR HA H 73 4.430 4.001 0.429 1
1 582 . 19 1 1 A 73 73 THR CA C 73 61.500 65.576 -4.076 1
1 583 . 19 1 1 A 73 73 THR CB C 73 69.400 68.927 0.473 1
1 585 . 19 1 1 A 73 73 THR N N 73 114.000 117.263 -3.263 1
1 586 . 19 1 1 A 74 74 SER H H 74 8.130 7.987 0.143 1
1 587 . 19 1 1 A 74 74 SER HA H 74 4.540 4.260 0.280 1
1 590 . 19 1 1 A 74 74 SER CA C 74 58.000 60.534 -2.534 1
1 591 . 19 1 1 A 74 74 SER CB C 74 63.800 61.836 1.964 1
1 592 . 19 1 1 A 74 74 SER N N 74 116.000 113.552 2.448 1
1 593 . 19 1 1 A 75 75 GLY H H 75 8.570 8.359 0.211 1
1 594 . 19 1 1 A 75 75 GLY HA2 H 75 4.040 4.115 -0.075 1
1 595 . 19 1 1 A 75 75 GLY HA3 H 75 4.040 4.235 -0.195 1
1 596 . 19 1 1 A 75 75 GLY CA C 75 45.100 44.692 0.408 1
1 597 . 19 1 1 A 75 75 GLY N N 75 109.800 110.066 -0.266 1
1 598 . 19 1 1 A 76 76 GLN H H 76 8.390 8.839 -0.449 1
1 599 . 19 1 1 A 76 76 GLN HA H 76 4.490 3.982 0.508 1
1 606 . 19 1 1 A 76 76 GLN CA C 76 55.900 58.084 -2.184 1
1 607 . 19 1 1 A 76 76 GLN CB C 76 29.600 28.544 1.056 1
1 609 . 19 1 1 A 76 76 GLN N N 76 119.200 123.079 -3.879 1
1 611 . 19 1 1 A 77 77 THR H H 77 8.100 7.861 0.239 1
1 612 . 19 1 1 A 77 77 THR HA H 77 4.420 4.448 -0.028 1
1 617 . 19 1 1 A 77 77 THR CA C 77 61.300 61.392 -0.092 1
1 618 . 19 1 1 A 77 77 THR CB C 77 69.700 68.437 1.263 1
1 620 . 19 1 1 A 77 77 THR N N 77 113.000 110.773 2.227 1
1 621 . 19 1 1 A 78 78 GLU H H 78 8.450 7.913 0.537 1
1 622 . 19 1 1 A 78 78 GLU HA H 78 4.250 3.814 0.436 1
1 627 . 19 1 1 A 78 78 GLU CA C 78 56.900 59.757 -2.857 1
1 628 . 19 1 1 A 78 78 GLU CB C 78 29.500 29.442 0.058 1
1 630 . 19 1 1 A 78 78 GLU N N 78 120.700 123.603 -2.903 1
1 631 . 19 1 1 A 79 79 ASN H H 79 8.320 7.957 0.363 1
1 632 . 19 1 1 A 79 79 ASN HA H 79 4.600 4.537 0.063 1
1 637 . 19 1 1 A 79 79 ASN CA C 79 53.700 55.627 -1.927 1
1 638 . 19 1 1 A 79 79 ASN CB C 79 38.600 38.593 0.007 1
1 639 . 19 1 1 A 79 79 ASN N N 79 117.000 118.685 -1.685 1
1 641 . 19 1 1 A 80 80 LYS H H 80 7.910 7.995 -0.085 1
1 642 . 19 1 1 A 80 80 LYS HA H 80 4.300 4.549 -0.249 1
1 651 . 19 1 1 A 80 80 LYS CA C 80 56.000 55.360 0.640 1
1 652 . 19 1 1 A 80 80 LYS CB C 80 33.300 32.714 0.586 1
1 656 . 19 1 1 A 80 80 LYS N N 80 118.800 113.043 5.757 1
1 657 . 19 1 1 A 81 81 ILE H H 81 8.340 7.033 1.307 1
1 658 . 19 1 1 A 81 81 ILE HA H 81 4.300 4.060 0.240 1
1 668 . 19 1 1 A 81 81 ILE CA C 81 60.500 61.373 -0.873 1
1 669 . 19 1 1 A 81 81 ILE CB C 81 39.800 38.511 1.289 1
1 673 . 19 1 1 A 81 81 ILE N N 81 119.600 117.495 2.105 1
1 674 . 19 1 1 A 82 82 HIS H H 82 8.470 8.607 -0.137 1
1 675 . 19 1 1 A 82 82 HIS HA H 82 4.780 4.710 0.070 1
1 680 . 19 1 1 A 82 82 HIS CA C 82 54.700 56.780 -2.080 1
1 681 . 19 1 1 A 82 82 HIS CB C 82 28.900 30.675 -1.775 1
1 684 . 19 1 1 A 82 82 HIS N N 82 121.600 121.505 0.095 1
1 685 . 19 1 1 A 83 83 GLY H H 83 8.340 7.546 0.794 1
1 686 . 19 1 1 A 83 83 GLY HA2 H 83 3.690 3.826 -0.136 1
1 687 . 19 1 1 A 83 83 GLY HA3 H 83 4.190 3.899 0.291 1
1 688 . 19 1 1 A 83 83 GLY CA C 83 45.000 44.745 0.255 1
1 689 . 19 1 1 A 83 83 GLY N N 83 111.600 109.942 1.658 1
1 690 . 19 1 1 A 84 84 THR H H 84 8.120 8.591 -0.471 1
1 691 . 19 1 1 A 84 84 THR HA H 84 5.030 5.358 -0.328 1
1 696 . 19 1 1 A 84 84 THR CA C 84 60.100 60.834 -0.734 1
1 697 . 19 1 1 A 84 84 THR CB C 84 72.000 72.468 -0.468 1
1 699 . 19 1 1 A 84 84 THR N N 84 112.300 114.458 -2.158 1
1 700 . 19 1 1 A 85 85 ALA H H 85 8.840 8.526 0.314 1
1 701 . 19 1 1 A 85 85 ALA HA H 85 4.950 4.963 -0.013 1
1 705 . 19 1 1 A 85 85 ALA CA C 85 51.200 51.571 -0.371 1
1 706 . 19 1 1 A 85 85 ALA CB C 85 23.800 23.396 0.404 1
1 707 . 19 1 1 A 85 85 ALA N N 85 122.500 123.879 -1.379 1
1 708 . 19 1 1 A 86 86 ASP H H 86 8.510 9.390 -0.880 1
1 709 . 19 1 1 A 86 86 ASP HA H 86 5.200 5.455 -0.255 1
1 712 . 19 1 1 A 86 86 ASP CA C 86 53.400 53.023 0.377 1
1 713 . 19 1 1 A 86 86 ASP CB C 86 43.100 43.751 -0.651 1
1 714 . 19 1 1 A 86 86 ASP N N 86 121.400 122.162 -0.762 1
1 715 . 19 1 1 A 87 87 ILE H H 87 7.970 8.995 -1.025 1
1 716 . 19 1 1 A 87 87 ILE HA H 87 5.370 5.246 0.124 1
1 726 . 19 1 1 A 87 87 ILE CA C 87 58.200 59.326 -1.126 1
1 727 . 19 1 1 A 87 87 ILE CB C 87 41.200 41.191 0.009 1
1 731 . 19 1 1 A 87 87 ILE N N 87 111.200 120.372 -9.172 1
1 732 . 19 1 1 A 88 88 TYR H H 88 8.750 9.509 -0.759 1
1 733 . 19 1 1 A 88 88 TYR HA H 88 5.440 5.445 -0.005 1
1 740 . 19 1 1 A 88 88 TYR CA C 88 56.900 56.350 0.550 1
1 741 . 19 1 1 A 88 88 TYR CB C 88 44.000 43.444 0.556 1
1 744 . 19 1 1 A 88 88 TYR N N 88 118.000 121.432 -3.432 1
1 745 . 19 1 1 A 89 89 LYS H H 89 9.590 9.483 0.107 1
1 746 . 19 1 1 A 89 89 LYS HA H 89 5.170 5.073 0.097 1
1 755 . 19 1 1 A 89 89 LYS CA C 89 54.400 54.769 -0.369 1
1 756 . 19 1 1 A 89 89 LYS CB C 89 36.800 35.529 1.271 1
1 760 . 19 1 1 A 89 89 LYS N N 89 123.500 119.901 3.599 1
1 761 . 19 1 1 A 90 90 LYS H H 90 10.190 8.374 1.816 1
1 762 . 19 1 1 A 90 90 LYS HA H 90 3.810 3.107 0.703 1
1 771 . 19 1 1 A 90 90 LYS CA C 90 57.500 55.889 1.611 1
1 772 . 19 1 1 A 90 90 LYS CB C 90 32.700 32.739 -0.039 1
1 776 . 19 1 1 A 90 90 LYS N N 90 129.200 123.927 5.273 1
1 777 . 19 1 1 A 91 91 LYS H H 91 8.450 8.326 0.124 1
1 778 . 19 1 1 A 91 91 LYS HA H 91 4.100 4.413 -0.313 1
1 787 . 19 1 1 A 91 91 LYS CA C 91 57.300 55.502 1.798 1
1 788 . 19 1 1 A 91 91 LYS CB C 91 33.100 33.630 -0.530 1
1 792 . 19 1 1 A 91 91 LYS N N 91 125.900 126.173 -0.273 1
1 793 . 19 1 1 A 92 92 LEU H H 92 8.270 8.446 -0.176 1
1 794 . 19 1 1 A 92 92 LEU HA H 92 4.280 4.146 0.134 1
1 804 . 19 1 1 A 92 92 LEU CA C 92 54.600 56.379 -1.779 1
1 805 . 19 1 1 A 92 92 LEU CB C 92 42.100 41.938 0.162 1
1 809 . 19 1 1 A 92 92 LEU N N 92 123.200 121.687 1.513 1
1 810 . 19 1 1 A 93 93 GLU H H 93 8.310 7.858 0.452 1
1 811 . 19 1 1 A 93 93 GLU HA H 93 4.220 4.304 -0.084 1
1 816 . 19 1 1 A 93 93 GLU CA C 93 55.700 56.825 -1.125 1
1 817 . 19 1 1 A 93 93 GLU CB C 93 30.200 30.075 0.125 1
1 819 . 19 1 1 A 93 93 GLU N N 93 122.000 117.311 4.689 1
1 820 . 19 1 1 A 94 94 HIS H H 94 8.570 7.490 1.080 1
1 821 . 19 1 1 A 94 94 HIS HA H 94 4.630 4.886 -0.256 1
1 826 . 19 1 1 A 94 94 HIS CA C 94 55.000 54.471 0.529 1
1 827 . 19 1 1 A 94 94 HIS CB C 94 28.900 32.908 -4.008 1
1 830 . 19 1 1 A 94 94 HIS N N 94 119.700 119.975 -0.275 1
1 831 . 19 1 1 A 95 95 HIS H H 95 8.610 8.632 -0.022 1
1 832 . 19 1 1 A 95 95 HIS HA H 95 4.650 5.101 -0.451 1
1 837 . 19 1 1 A 95 95 HIS CA C 95 55.200 54.441 0.759 1
1 838 . 19 1 1 A 95 95 HIS CB C 95 28.900 32.813 -3.913 1
1 841 . 19 1 1 A 95 95 HIS N N 95 119.300 125.384 -6.084 1
1 842 . 19 1 1 A 96 96 HIS H H 96 8.680 8.968 -0.288 1
1 843 . 19 1 1 A 96 96 HIS HA H 96 4.660 4.506 0.154 1
1 848 . 19 1 1 A 96 96 HIS CA C 96 55.200 56.761 -1.561 1
1 849 . 19 1 1 A 96 96 HIS CB C 96 29.100 28.524 0.576 1
1 852 . 19 1 1 A 96 96 HIS N N 96 120.100 121.371 -1.271 1
1 853 . 19 1 1 A 97 97 HIS H H 97 8.580 8.480 0.100 1
1 854 . 19 1 1 A 97 97 HIS HA H 97 4.660 5.160 -0.500 1
1 859 . 19 1 1 A 97 97 HIS CA C 97 55.400 54.122 1.278 1
1 860 . 19 1 1 A 97 97 HIS CB C 97 29.200 33.028 -3.828 1
1 863 . 19 1 1 A 97 97 HIS N N 97 120.400 126.962 -6.562 1
1 864 . 19 1 1 A 98 98 HIS H H 98 8.390 8.593 -0.203 1
1 865 . 19 1 1 A 98 98 HIS HA H 98 4.620 4.498 0.122 1
1 870 . 19 1 1 A 98 98 HIS CA C 98 55.500 55.964 -0.464 1
1 871 . 19 1 1 A 98 98 HIS CB C 98 29.100 30.680 -1.580 1
1 1 . 20 1 1 A 22 22 ALA HA H 22 4.130 4.420 -0.290 1
1 5 . 20 1 1 A 22 22 ALA CA C 22 50.900 52.761 -1.861 1
1 6 . 20 1 1 A 22 22 ALA CB C 22 20.200 18.596 1.604 1
1 7 . 20 1 1 A 23 23 GLU H H 23 7.920 8.431 -0.511 1
1 8 . 20 1 1 A 23 23 GLU HA H 23 4.710 4.884 -0.174 1
1 13 . 20 1 1 A 23 23 GLU CA C 23 54.300 55.056 -0.756 1
1 14 . 20 1 1 A 23 23 GLU CB C 23 32.500 33.603 -1.103 1
1 16 . 20 1 1 A 23 23 GLU N N 23 117.600 122.823 -5.223 1
1 17 . 20 1 1 A 24 24 ILE H H 24 8.870 8.539 0.331 1
1 18 . 20 1 1 A 24 24 ILE HA H 24 4.870 4.532 0.338 1
1 28 . 20 1 1 A 24 24 ILE CA C 24 60.200 60.659 -0.459 1
1 29 . 20 1 1 A 24 24 ILE CB C 24 38.100 37.722 0.378 1
1 33 . 20 1 1 A 24 24 ILE N N 24 123.800 123.476 0.324 1
1 34 . 20 1 1 A 25 25 MET H H 25 8.720 8.745 -0.025 1
1 35 . 20 1 1 A 25 25 MET HA H 25 4.760 5.147 -0.387 1
1 40 . 20 1 1 A 25 25 MET CA C 25 54.300 53.980 0.320 1
1 41 . 20 1 1 A 25 25 MET CB C 25 37.100 36.466 0.634 1
1 43 . 20 1 1 A 25 25 MET N N 25 127.100 124.489 2.611 1
1 44 . 20 1 1 A 26 26 LYS H H 26 9.190 8.706 0.484 1
1 45 . 20 1 1 A 26 26 LYS HA H 26 4.320 4.288 0.032 1
1 54 . 20 1 1 A 26 26 LYS CA C 26 56.600 56.237 0.363 1
1 55 . 20 1 1 A 26 26 LYS CB C 26 32.900 33.037 -0.137 1
1 59 . 20 1 1 A 26 26 LYS N N 26 123.500 120.643 2.857 1
1 60 . 20 1 1 A 27 27 LYS H H 27 8.870 8.930 -0.060 1
1 61 . 20 1 1 A 27 27 LYS HA H 27 3.860 3.942 -0.082 1
1 70 . 20 1 1 A 27 27 LYS CA C 27 60.500 58.847 1.653 1
1 71 . 20 1 1 A 27 27 LYS CB C 27 32.400 32.224 0.176 1
1 75 . 20 1 1 A 27 27 LYS N N 27 126.200 123.897 2.303 1
1 76 . 20 1 1 A 28 28 THR H H 28 8.110 8.118 -0.008 1
1 77 . 20 1 1 A 28 28 THR HA H 28 4.130 4.045 0.085 1
1 82 . 20 1 1 A 28 28 THR CA C 28 64.600 65.921 -1.321 1
1 83 . 20 1 1 A 28 28 THR CB C 28 68.000 68.313 -0.313 1
1 85 . 20 1 1 A 28 28 THR N N 28 107.100 114.629 -7.529 1
1 86 . 20 1 1 A 29 29 ASP H H 29 6.770 8.319 -1.549 1
1 87 . 20 1 1 A 29 29 ASP HA H 29 4.580 4.429 0.151 1
1 90 . 20 1 1 A 29 29 ASP CA C 29 56.600 57.242 -0.642 1
1 91 . 20 1 1 A 29 29 ASP CB C 29 40.600 40.210 0.390 1
1 92 . 20 1 1 A 29 29 ASP N N 29 119.500 122.704 -3.204 1
1 93 . 20 1 1 A 30 30 PHE H H 30 8.630 8.516 0.114 1
1 94 . 20 1 1 A 30 30 PHE HA H 30 3.930 3.989 -0.059 1
1 102 . 20 1 1 A 30 30 PHE CA C 30 60.800 60.755 0.045 1
1 103 . 20 1 1 A 30 30 PHE CB C 30 38.900 39.034 -0.134 1
1 107 . 20 1 1 A 30 30 PHE N N 30 123.300 122.704 0.596 1
1 108 . 20 1 1 A 31 31 ASP H H 31 8.650 8.146 0.504 1
1 109 . 20 1 1 A 31 31 ASP HA H 31 4.150 4.059 0.091 1
1 112 . 20 1 1 A 31 31 ASP CA C 31 57.000 57.297 -0.297 1
1 113 . 20 1 1 A 31 31 ASP CB C 31 39.800 41.239 -1.439 1
1 114 . 20 1 1 A 31 31 ASP N N 31 117.000 118.711 -1.711 1
1 115 . 20 1 1 A 32 32 LYS H H 32 6.930 7.457 -0.527 1
1 116 . 20 1 1 A 32 32 LYS HA H 32 4.110 4.175 -0.065 1
1 125 . 20 1 1 A 32 32 LYS CA C 32 58.300 58.731 -0.431 1
1 126 . 20 1 1 A 32 32 LYS CB C 32 33.100 32.684 0.416 1
1 130 . 20 1 1 A 32 32 LYS N N 32 114.800 118.772 -3.972 1
1 131 . 20 1 1 A 33 33 VAL H H 33 7.400 8.238 -0.838 1
1 132 . 20 1 1 A 33 33 VAL HA H 33 4.620 4.194 0.426 1
1 140 . 20 1 1 A 33 33 VAL CA C 33 60.100 63.412 -3.312 1
1 141 . 20 1 1 A 33 33 VAL CB C 33 32.300 31.521 0.779 1
1 144 . 20 1 1 A 33 33 VAL N N 33 109.100 116.588 -7.488 1
1 145 . 20 1 1 A 34 34 ALA H H 34 6.710 7.496 -0.786 1
1 146 . 20 1 1 A 34 34 ALA HA H 34 3.010 3.941 -0.931 1
1 150 . 20 1 1 A 34 34 ALA CA C 34 55.100 53.913 1.187 1
1 151 . 20 1 1 A 34 34 ALA CB C 34 19.200 18.168 1.032 1
1 152 . 20 1 1 A 34 34 ALA N N 34 124.300 125.665 -1.365 1
1 153 . 20 1 1 A 35 35 SER H H 35 8.120 7.397 0.723 1
1 154 . 20 1 1 A 35 35 SER HA H 35 4.320 4.324 -0.004 1
1 157 . 20 1 1 A 35 35 SER CA C 35 60.400 60.992 -0.592 1
1 158 . 20 1 1 A 35 35 SER CB C 35 62.400 63.405 -1.005 1
1 159 . 20 1 1 A 35 35 SER N N 35 110.400 112.436 -2.036 1
1 160 . 20 1 1 A 36 36 GLU H H 36 8.300 7.791 0.509 1
1 161 . 20 1 1 A 36 36 GLU HA H 36 4.270 4.316 -0.046 1
1 166 . 20 1 1 A 36 36 GLU CA C 36 55.700 56.129 -0.429 1
1 167 . 20 1 1 A 36 36 GLU CB C 36 28.900 30.560 -1.660 1
1 169 . 20 1 1 A 36 36 GLU N N 36 119.200 118.025 1.175 1
1 170 . 20 1 1 A 37 37 TYR H H 37 7.920 7.561 0.359 1
1 171 . 20 1 1 A 37 37 TYR HA H 37 5.150 5.107 0.043 1
1 178 . 20 1 1 A 37 37 TYR CA C 37 57.900 56.214 1.686 1
1 179 . 20 1 1 A 37 37 TYR CB C 37 44.100 42.409 1.691 1
1 182 . 20 1 1 A 37 37 TYR N N 37 117.200 119.234 -2.034 1
1 183 . 20 1 1 A 38 38 THR H H 38 9.480 9.179 0.301 1
1 184 . 20 1 1 A 38 38 THR HA H 38 4.840 5.097 -0.257 1
1 189 . 20 1 1 A 38 38 THR CA C 38 60.400 61.046 -0.646 1
1 190 . 20 1 1 A 38 38 THR CB C 38 71.200 73.076 -1.876 1
1 192 . 20 1 1 A 38 38 THR N N 38 115.400 115.240 0.160 1
1 193 . 20 1 1 A 39 39 LYS H H 39 9.290 8.944 0.346 1
1 194 . 20 1 1 A 39 39 LYS HA H 39 3.880 4.662 -0.782 1
1 203 . 20 1 1 A 39 39 LYS CA C 39 57.500 54.892 2.608 1
1 204 . 20 1 1 A 39 39 LYS CB C 39 32.300 34.267 -1.967 1
1 208 . 20 1 1 A 39 39 LYS N N 39 130.400 124.998 5.402 1
1 209 . 20 1 1 A 40 40 ILE H H 40 8.820 8.658 0.162 1
1 210 . 20 1 1 A 40 40 ILE HA H 40 4.550 4.423 0.127 1
1 220 . 20 1 1 A 40 40 ILE CA C 40 60.900 61.279 -0.379 1
1 221 . 20 1 1 A 40 40 ILE CB C 40 39.200 38.251 0.949 1
1 225 . 20 1 1 A 40 40 ILE N N 40 121.900 122.712 -0.812 1
1 226 . 20 1 1 A 41 41 GLY H H 41 7.130 7.104 0.026 1
1 227 . 20 1 1 A 41 41 GLY HA2 H 41 3.950 3.986 -0.036 1
1 228 . 20 1 1 A 41 41 GLY HA3 H 41 4.260 3.992 0.268 1
1 229 . 20 1 1 A 41 41 GLY CA C 41 45.100 44.391 0.709 1
1 230 . 20 1 1 A 41 41 GLY N N 41 107.400 109.325 -1.925 1
1 231 . 20 1 1 A 42 42 THR H H 42 8.210 8.232 -0.022 1
1 232 . 20 1 1 A 42 42 THR HA H 42 5.230 4.961 0.269 1
1 237 . 20 1 1 A 42 42 THR CA C 42 60.900 61.396 -0.496 1
1 238 . 20 1 1 A 42 42 THR CB C 42 72.300 71.053 1.247 1
1 240 . 20 1 1 A 42 42 THR N N 42 115.100 115.420 -0.320 1
1 241 . 20 1 1 A 43 43 ILE H H 43 9.130 9.207 -0.077 1
1 242 . 20 1 1 A 43 43 ILE HA H 43 4.790 5.153 -0.363 1
1 252 . 20 1 1 A 43 43 ILE CA C 43 59.400 58.985 0.415 1
1 253 . 20 1 1 A 43 43 ILE CB C 43 42.600 42.123 0.477 1
1 257 . 20 1 1 A 43 43 ILE N N 43 118.000 120.226 -2.226 1
1 258 . 20 1 1 A 44 44 SER H H 44 8.330 8.627 -0.297 1
1 259 . 20 1 1 A 44 44 SER HA H 44 5.250 4.967 0.283 1
1 262 . 20 1 1 A 44 44 SER CA C 44 56.700 57.166 -0.466 1
1 263 . 20 1 1 A 44 44 SER CB C 44 66.000 66.563 -0.563 1
1 264 . 20 1 1 A 44 44 SER N N 44 113.300 116.353 -3.053 1
1 265 . 20 1 1 A 45 45 THR H H 45 8.380 8.426 -0.046 1
1 266 . 20 1 1 A 45 45 THR HA H 45 4.550 4.969 -0.419 1
1 271 . 20 1 1 A 45 45 THR CA C 45 60.900 60.485 0.415 1
1 272 . 20 1 1 A 45 45 THR CB C 45 70.000 70.214 -0.214 1
1 274 . 20 1 1 A 45 45 THR N N 45 113.300 112.840 0.460 1
1 275 . 20 1 1 A 46 46 THR H H 46 8.540 8.727 -0.187 1
1 276 . 20 1 1 A 46 46 THR HA H 46 4.400 4.600 -0.200 1
1 281 . 20 1 1 A 46 46 THR CA C 46 62.000 60.858 1.142 1
1 282 . 20 1 1 A 46 46 THR CB C 46 69.300 72.262 -2.962 1
1 284 . 20 1 1 A 46 46 THR N N 46 117.700 116.365 1.335 1
1 285 . 20 1 1 A 47 47 GLY H H 47 8.320 8.670 -0.350 1
1 286 . 20 1 1 A 47 47 GLY HA2 H 47 3.890 3.946 -0.056 1
1 287 . 20 1 1 A 47 47 GLY HA3 H 47 3.980 3.956 0.024 1
1 288 . 20 1 1 A 47 47 GLY CA C 47 44.800 45.149 -0.349 1
1 289 . 20 1 1 A 47 47 GLY N N 47 111.700 113.880 -2.180 1
1 290 . 20 1 1 A 48 48 GLU H H 48 8.430 8.406 0.024 1
1 291 . 20 1 1 A 48 48 GLU HA H 48 4.390 3.890 0.500 1
1 296 . 20 1 1 A 48 48 GLU CA C 48 55.600 57.184 -1.584 1
1 297 . 20 1 1 A 48 48 GLU CB C 48 29.400 28.029 1.371 1
1 299 . 20 1 1 A 48 48 GLU N N 48 120.100 116.716 3.384 1
1 300 . 20 1 1 A 49 49 MET H H 49 8.390 8.052 0.338 1
1 301 . 20 1 1 A 49 49 MET HA H 49 4.700 4.823 -0.123 1
1 306 . 20 1 1 A 49 49 MET CA C 49 55.000 54.364 0.636 1
1 307 . 20 1 1 A 49 49 MET CB C 49 35.900 35.207 0.693 1
1 309 . 20 1 1 A 49 49 MET N N 49 120.000 119.078 0.922 1
1 310 . 20 1 1 A 50 50 SER H H 50 9.020 8.691 0.329 1
1 311 . 20 1 1 A 50 50 SER HA H 50 4.780 4.716 0.064 1
1 314 . 20 1 1 A 50 50 SER CA C 50 57.700 56.991 0.709 1
1 315 . 20 1 1 A 50 50 SER CB C 50 62.600 62.950 -0.350 1
1 316 . 20 1 1 A 50 50 SER N N 50 117.900 115.642 2.258 1
1 317 . 20 1 1 A 51 51 PRO HA H 51 4.240 4.304 -0.064 1
1 324 . 20 1 1 A 51 51 PRO CA C 51 66.000 65.734 0.266 1
1 325 . 20 1 1 A 51 51 PRO CB C 51 31.800 31.738 0.062 1
1 328 . 20 1 1 A 52 52 LEU H H 52 8.160 7.708 0.452 1
1 329 . 20 1 1 A 52 52 LEU HA H 52 4.110 4.048 0.062 1
1 339 . 20 1 1 A 52 52 LEU CA C 52 57.900 57.288 0.612 1
1 340 . 20 1 1 A 52 52 LEU CB C 52 41.400 41.324 0.076 1
1 344 . 20 1 1 A 52 52 LEU N N 52 117.600 116.985 0.615 1
1 345 . 20 1 1 A 53 53 ASP H H 53 7.510 8.163 -0.653 1
1 346 . 20 1 1 A 53 53 ASP HA H 53 4.420 4.325 0.095 1
1 349 . 20 1 1 A 53 53 ASP CA C 53 56.600 57.046 -0.446 1
1 350 . 20 1 1 A 53 53 ASP CB C 53 39.800 40.805 -1.005 1
1 351 . 20 1 1 A 53 53 ASP N N 53 119.900 120.213 -0.313 1
1 352 . 20 1 1 A 54 54 ALA H H 54 8.800 8.702 0.098 1
1 353 . 20 1 1 A 54 54 ALA HA H 54 4.210 4.057 0.153 1
1 357 . 20 1 1 A 54 54 ALA CA C 54 54.700 54.990 -0.290 1
1 358 . 20 1 1 A 54 54 ALA CB C 54 18.200 18.230 -0.030 1
1 359 . 20 1 1 A 54 54 ALA N N 54 123.400 121.347 2.053 1
1 360 . 20 1 1 A 55 55 ARG H H 55 7.860 7.768 0.092 1
1 361 . 20 1 1 A 55 55 ARG HA H 55 3.730 4.079 -0.349 1
1 368 . 20 1 1 A 55 55 ARG CA C 55 60.200 59.826 0.374 1
1 369 . 20 1 1 A 55 55 ARG CB C 55 30.100 29.830 0.270 1
1 372 . 20 1 1 A 55 55 ARG N N 55 117.100 117.428 -0.328 1
1 373 . 20 1 1 A 56 56 GLU H H 56 7.630 8.163 -0.533 1
1 374 . 20 1 1 A 56 56 GLU HA H 56 4.000 4.054 -0.054 1
1 379 . 20 1 1 A 56 56 GLU CA C 56 58.800 59.367 -0.567 1
1 380 . 20 1 1 A 56 56 GLU CB C 56 28.300 29.353 -1.053 1
1 382 . 20 1 1 A 56 56 GLU N N 56 115.900 119.796 -3.896 1
1 383 . 20 1 1 A 57 57 ASP H H 57 8.120 8.078 0.042 1
1 384 . 20 1 1 A 57 57 ASP HA H 57 4.380 4.367 0.013 1
1 387 . 20 1 1 A 57 57 ASP CA C 57 57.400 57.453 -0.053 1
1 388 . 20 1 1 A 57 57 ASP CB C 57 42.500 41.360 1.140 1
1 389 . 20 1 1 A 57 57 ASP N N 57 120.200 119.447 0.753 1
1 390 . 20 1 1 A 58 58 LEU H H 58 8.160 8.045 0.115 1
1 391 . 20 1 1 A 58 58 LEU HA H 58 3.860 4.046 -0.186 1
1 401 . 20 1 1 A 58 58 LEU CA C 58 57.500 57.975 -0.475 1
1 402 . 20 1 1 A 58 58 LEU CB C 58 41.400 41.988 -0.588 1
1 406 . 20 1 1 A 58 58 LEU N N 58 117.300 119.344 -2.044 1
1 407 . 20 1 1 A 59 59 ILE H H 59 8.020 8.606 -0.586 1
1 408 . 20 1 1 A 59 59 ILE HA H 59 3.300 3.525 -0.225 1
1 418 . 20 1 1 A 59 59 ILE CA C 59 65.700 65.289 0.411 1
1 419 . 20 1 1 A 59 59 ILE CB C 59 37.500 37.883 -0.383 1
1 423 . 20 1 1 A 59 59 ILE N N 59 118.600 119.606 -1.006 1
1 424 . 20 1 1 A 60 60 LYS H H 60 7.890 8.111 -0.221 1
1 425 . 20 1 1 A 60 60 LYS HA H 60 4.090 3.956 0.134 1
1 434 . 20 1 1 A 60 60 LYS CA C 60 59.800 59.764 0.036 1
1 435 . 20 1 1 A 60 60 LYS CB C 60 31.900 32.272 -0.372 1
1 439 . 20 1 1 A 60 60 LYS N N 60 119.400 119.115 0.285 1
1 440 . 20 1 1 A 61 61 LYS H H 61 8.080 8.260 -0.180 1
1 441 . 20 1 1 A 61 61 LYS HA H 61 3.980 4.069 -0.089 1
1 450 . 20 1 1 A 61 61 LYS CA C 61 59.200 58.903 0.297 1
1 451 . 20 1 1 A 61 61 LYS CB C 61 33.500 32.199 1.301 1
1 455 . 20 1 1 A 61 61 LYS N N 61 119.200 120.516 -1.316 1
1 456 . 20 1 1 A 62 62 ALA H H 62 8.490 8.264 0.226 1
1 457 . 20 1 1 A 62 62 ALA HA H 62 3.770 4.078 -0.308 1
1 461 . 20 1 1 A 62 62 ALA CA C 62 54.900 54.928 -0.028 1
1 462 . 20 1 1 A 62 62 ALA CB C 62 19.100 18.773 0.327 1
1 463 . 20 1 1 A 62 62 ALA N N 62 122.200 121.826 0.374 1
1 464 . 20 1 1 A 63 63 ASP H H 63 8.850 7.939 0.911 1
1 465 . 20 1 1 A 63 63 ASP HA H 63 4.590 4.323 0.267 1
1 468 . 20 1 1 A 63 63 ASP CA C 63 56.900 57.263 -0.363 1
1 469 . 20 1 1 A 63 63 ASP CB C 63 39.000 41.041 -2.041 1
1 470 . 20 1 1 A 63 63 ASP N N 63 120.200 118.193 2.007 1
1 471 . 20 1 1 A 64 64 GLU H H 64 8.050 8.524 -0.474 1
1 472 . 20 1 1 A 64 64 GLU HA H 64 4.070 3.972 0.098 1
1 477 . 20 1 1 A 64 64 GLU CA C 64 58.800 59.436 -0.636 1
1 478 . 20 1 1 A 64 64 GLU CB C 64 29.000 29.416 -0.416 1
1 480 . 20 1 1 A 64 64 GLU N N 64 121.300 118.758 2.542 1
1 481 . 20 1 1 A 65 65 LYS H H 65 7.180 7.655 -0.475 1
1 482 . 20 1 1 A 65 65 LYS HA H 65 4.310 4.352 -0.042 1
1 491 . 20 1 1 A 65 65 LYS CA C 65 54.800 56.839 -2.039 1
1 492 . 20 1 1 A 65 65 LYS CB C 65 33.000 33.349 -0.349 1
1 496 . 20 1 1 A 65 65 LYS N N 65 115.600 117.879 -2.279 1
1 497 . 20 1 1 A 66 66 GLY H H 66 7.870 8.290 -0.420 1
1 498 . 20 1 1 A 66 66 GLY HA2 H 66 3.860 3.961 -0.101 1
1 499 . 20 1 1 A 66 66 GLY HA3 H 66 3.980 3.963 0.017 1
1 500 . 20 1 1 A 66 66 GLY CA C 66 45.700 45.994 -0.294 1
1 501 . 20 1 1 A 66 66 GLY N N 66 107.500 106.599 0.901 1
1 502 . 20 1 1 A 67 67 ALA H H 67 7.920 8.164 -0.244 1
1 503 . 20 1 1 A 67 67 ALA HA H 67 4.020 4.775 -0.755 1
1 507 . 20 1 1 A 67 67 ALA CA C 67 51.700 50.248 1.452 1
1 508 . 20 1 1 A 67 67 ALA CB C 67 21.100 22.299 -1.199 1
1 509 . 20 1 1 A 67 67 ALA N N 67 118.900 123.505 -4.605 1
1 510 . 20 1 1 A 68 68 ASP H H 68 8.790 9.108 -0.318 1
1 511 . 20 1 1 A 68 68 ASP HA H 68 5.070 4.958 0.112 1
1 514 . 20 1 1 A 68 68 ASP CA C 68 56.500 55.996 0.504 1
1 515 . 20 1 1 A 68 68 ASP CB C 68 44.900 43.282 1.618 1
1 516 . 20 1 1 A 68 68 ASP N N 68 116.500 119.095 -2.595 1
1 517 . 20 1 1 A 69 69 VAL H H 69 8.070 8.357 -0.287 1
1 518 . 20 1 1 A 69 69 VAL HA H 69 5.130 5.007 0.123 1
1 526 . 20 1 1 A 69 69 VAL CA C 69 60.300 60.705 -0.405 1
1 527 . 20 1 1 A 69 69 VAL CB C 69 37.400 35.451 1.949 1
1 530 . 20 1 1 A 69 69 VAL N N 69 118.400 117.954 0.446 1
1 531 . 20 1 1 A 70 70 VAL H H 70 8.720 9.341 -0.621 1
1 532 . 20 1 1 A 70 70 VAL HA H 70 4.550 5.050 -0.500 1
1 540 . 20 1 1 A 70 70 VAL CA C 70 59.800 59.375 0.425 1
1 541 . 20 1 1 A 70 70 VAL CB C 70 34.200 34.895 -0.695 1
1 544 . 20 1 1 A 70 70 VAL N N 70 127.300 121.589 5.711 1
1 545 . 20 1 1 A 71 71 VAL H H 71 8.890 9.161 -0.271 1
1 546 . 20 1 1 A 71 71 VAL HA H 71 4.550 4.655 -0.105 1
1 554 . 20 1 1 A 71 71 VAL CA C 71 60.800 61.127 -0.327 1
1 555 . 20 1 1 A 71 71 VAL CB C 71 34.000 34.059 -0.059 1
1 558 . 20 1 1 A 71 71 VAL N N 71 126.700 122.639 4.061 1
1 559 . 20 1 1 A 72 72 LEU H H 72 8.800 8.749 0.051 1
1 560 . 20 1 1 A 72 72 LEU HA H 72 4.440 4.372 0.068 1
1 570 . 20 1 1 A 72 72 LEU CA C 72 55.700 54.456 1.244 1
1 571 . 20 1 1 A 72 72 LEU CB C 72 41.500 40.645 0.855 1
1 575 . 20 1 1 A 72 72 LEU N N 72 127.400 128.789 -1.389 1
1 576 . 20 1 1 A 73 73 THR H H 73 8.630 7.927 0.703 1
1 577 . 20 1 1 A 73 73 THR HA H 73 4.430 4.299 0.131 1
1 582 . 20 1 1 A 73 73 THR CA C 73 61.500 62.791 -1.291 1
1 583 . 20 1 1 A 73 73 THR CB C 73 69.400 69.055 0.345 1
1 585 . 20 1 1 A 73 73 THR N N 73 114.000 115.888 -1.888 1
1 586 . 20 1 1 A 74 74 SER H H 74 8.130 7.277 0.853 1
1 587 . 20 1 1 A 74 74 SER HA H 74 4.540 4.287 0.253 1
1 590 . 20 1 1 A 74 74 SER CA C 74 58.000 59.716 -1.716 1
1 591 . 20 1 1 A 74 74 SER CB C 74 63.800 63.057 0.743 1
1 592 . 20 1 1 A 74 74 SER N N 74 116.000 119.102 -3.102 1
1 593 . 20 1 1 A 75 75 GLY H H 75 8.570 8.717 -0.147 1
1 594 . 20 1 1 A 75 75 GLY HA2 H 75 4.040 3.806 0.234 1
1 595 . 20 1 1 A 75 75 GLY HA3 H 75 4.040 3.812 0.228 1
1 596 . 20 1 1 A 75 75 GLY CA C 75 45.100 47.098 -1.998 1
1 597 . 20 1 1 A 75 75 GLY N N 75 109.800 113.669 -3.869 1
1 598 . 20 1 1 A 76 76 GLN H H 76 8.390 7.985 0.405 1
1 599 . 20 1 1 A 76 76 GLN HA H 76 4.490 4.373 0.117 1
1 606 . 20 1 1 A 76 76 GLN CA C 76 55.900 54.551 1.349 1
1 607 . 20 1 1 A 76 76 GLN CB C 76 29.600 27.100 2.500 1
1 609 . 20 1 1 A 76 76 GLN N N 76 119.200 121.339 -2.139 1
1 611 . 20 1 1 A 77 77 THR H H 77 8.100 8.872 -0.772 1
1 612 . 20 1 1 A 77 77 THR HA H 77 4.420 4.552 -0.132 1
1 617 . 20 1 1 A 77 77 THR CA C 77 61.300 61.881 -0.581 1
1 618 . 20 1 1 A 77 77 THR CB C 77 69.700 66.849 2.851 1
1 620 . 20 1 1 A 77 77 THR N N 77 113.000 119.620 -6.620 1
1 621 . 20 1 1 A 78 78 GLU H H 78 8.450 8.316 0.134 1
1 622 . 20 1 1 A 78 78 GLU HA H 78 4.250 4.598 -0.348 1
1 627 . 20 1 1 A 78 78 GLU CA C 78 56.900 58.013 -1.113 1
1 628 . 20 1 1 A 78 78 GLU CB C 78 29.500 32.298 -2.798 1
1 630 . 20 1 1 A 78 78 GLU N N 78 120.700 127.088 -6.388 1
1 631 . 20 1 1 A 79 79 ASN H H 79 8.320 8.404 -0.084 1
1 632 . 20 1 1 A 79 79 ASN HA H 79 4.600 5.060 -0.460 1
1 637 . 20 1 1 A 79 79 ASN CA C 79 53.700 54.567 -0.867 1
1 638 . 20 1 1 A 79 79 ASN CB C 79 38.600 39.789 -1.189 1
1 639 . 20 1 1 A 79 79 ASN N N 79 117.000 117.647 -0.647 1
1 641 . 20 1 1 A 80 80 LYS H H 80 7.910 8.225 -0.315 1
1 642 . 20 1 1 A 80 80 LYS HA H 80 4.300 4.280 0.020 1
1 651 . 20 1 1 A 80 80 LYS CA C 80 56.000 56.304 -0.304 1
1 652 . 20 1 1 A 80 80 LYS CB C 80 33.300 31.760 1.540 1
1 656 . 20 1 1 A 80 80 LYS N N 80 118.800 116.946 1.854 1
1 657 . 20 1 1 A 81 81 ILE H H 81 8.340 7.862 0.478 1
1 658 . 20 1 1 A 81 81 ILE HA H 81 4.300 4.163 0.137 1
1 668 . 20 1 1 A 81 81 ILE CA C 81 60.500 61.506 -1.006 1
1 669 . 20 1 1 A 81 81 ILE CB C 81 39.800 38.222 1.578 1
1 673 . 20 1 1 A 81 81 ILE N N 81 119.600 117.724 1.876 1
1 674 . 20 1 1 A 82 82 HIS H H 82 8.470 8.486 -0.016 1
1 675 . 20 1 1 A 82 82 HIS HA H 82 4.780 4.788 -0.008 1
1 680 . 20 1 1 A 82 82 HIS CA C 82 54.700 54.895 -0.195 1
1 681 . 20 1 1 A 82 82 HIS CB C 82 28.900 31.276 -2.376 1
1 684 . 20 1 1 A 82 82 HIS N N 82 121.600 126.308 -4.708 1
1 685 . 20 1 1 A 83 83 GLY H H 83 8.340 8.141 0.199 1
1 686 . 20 1 1 A 83 83 GLY HA2 H 83 3.690 4.000 -0.310 1
1 687 . 20 1 1 A 83 83 GLY HA3 H 83 4.190 4.021 0.169 1
1 688 . 20 1 1 A 83 83 GLY CA C 83 45.000 44.381 0.619 1
1 689 . 20 1 1 A 83 83 GLY N N 83 111.600 108.948 2.652 1
1 690 . 20 1 1 A 84 84 THR H H 84 8.120 8.493 -0.373 1
1 691 . 20 1 1 A 84 84 THR HA H 84 5.030 5.235 -0.205 1
1 696 . 20 1 1 A 84 84 THR CA C 84 60.100 59.623 0.477 1
1 697 . 20 1 1 A 84 84 THR CB C 84 72.000 72.123 -0.123 1
1 699 . 20 1 1 A 84 84 THR N N 84 112.300 112.576 -0.276 1
1 700 . 20 1 1 A 85 85 ALA H H 85 8.840 9.191 -0.351 1
1 701 . 20 1 1 A 85 85 ALA HA H 85 4.950 5.245 -0.295 1
1 705 . 20 1 1 A 85 85 ALA CA C 85 51.200 51.015 0.185 1
1 706 . 20 1 1 A 85 85 ALA CB C 85 23.800 22.686 1.114 1
1 707 . 20 1 1 A 85 85 ALA N N 85 122.500 122.528 -0.028 1
1 708 . 20 1 1 A 86 86 ASP H H 86 8.510 9.259 -0.749 1
1 709 . 20 1 1 A 86 86 ASP HA H 86 5.200 5.122 0.078 1
1 712 . 20 1 1 A 86 86 ASP CA C 86 53.400 53.447 -0.047 1
1 713 . 20 1 1 A 86 86 ASP CB C 86 43.100 42.044 1.056 1
1 714 . 20 1 1 A 86 86 ASP N N 86 121.400 122.748 -1.348 1
1 715 . 20 1 1 A 87 87 ILE H H 87 7.970 8.233 -0.263 1
1 716 . 20 1 1 A 87 87 ILE HA H 87 5.370 5.266 0.104 1
1 726 . 20 1 1 A 87 87 ILE CA C 87 58.200 59.233 -1.033 1
1 727 . 20 1 1 A 87 87 ILE CB C 87 41.200 40.252 0.948 1
1 731 . 20 1 1 A 87 87 ILE N N 87 111.200 119.158 -7.958 1
1 732 . 20 1 1 A 88 88 TYR H H 88 8.750 9.680 -0.930 1
1 733 . 20 1 1 A 88 88 TYR HA H 88 5.440 5.537 -0.097 1
1 740 . 20 1 1 A 88 88 TYR CA C 88 56.900 56.104 0.796 1
1 741 . 20 1 1 A 88 88 TYR CB C 88 44.000 43.138 0.862 1
1 744 . 20 1 1 A 88 88 TYR N N 88 118.000 121.931 -3.931 1
1 745 . 20 1 1 A 89 89 LYS H H 89 9.590 9.611 -0.021 1
1 746 . 20 1 1 A 89 89 LYS HA H 89 5.170 5.120 0.050 1
1 755 . 20 1 1 A 89 89 LYS CA C 89 54.400 54.315 0.085 1
1 756 . 20 1 1 A 89 89 LYS CB C 89 36.800 35.858 0.942 1
1 760 . 20 1 1 A 89 89 LYS N N 89 123.500 123.865 -0.365 1
1 761 . 20 1 1 A 90 90 LYS H H 90 10.190 8.976 1.214 1
1 762 . 20 1 1 A 90 90 LYS HA H 90 3.810 3.723 0.087 1
1 771 . 20 1 1 A 90 90 LYS CA C 90 57.500 55.765 1.735 1
1 772 . 20 1 1 A 90 90 LYS CB C 90 32.700 32.925 -0.225 1
1 776 . 20 1 1 A 90 90 LYS N N 90 129.200 127.860 1.340 1
1 777 . 20 1 1 A 91 91 LYS H H 91 8.450 8.183 0.267 1
1 778 . 20 1 1 A 91 91 LYS HA H 91 4.100 4.413 -0.313 1
1 787 . 20 1 1 A 91 91 LYS CA C 91 57.300 55.695 1.605 1
1 788 . 20 1 1 A 91 91 LYS CB C 91 33.100 33.623 -0.523 1
1 792 . 20 1 1 A 91 91 LYS N N 91 125.900 125.600 0.300 1
1 793 . 20 1 1 A 92 92 LEU H H 92 8.270 8.320 -0.050 1
1 794 . 20 1 1 A 92 92 LEU HA H 92 4.280 4.422 -0.142 1
1 804 . 20 1 1 A 92 92 LEU CA C 92 54.600 54.779 -0.179 1
1 805 . 20 1 1 A 92 92 LEU CB C 92 42.100 42.337 -0.237 1
1 809 . 20 1 1 A 92 92 LEU N N 92 123.200 119.709 3.491 1
1 810 . 20 1 1 A 93 93 GLU H H 93 8.310 7.947 0.363 1
1 811 . 20 1 1 A 93 93 GLU HA H 93 4.220 4.254 -0.034 1
1 816 . 20 1 1 A 93 93 GLU CA C 93 55.700 56.425 -0.725 1
1 817 . 20 1 1 A 93 93 GLU CB C 93 30.200 30.332 -0.132 1
1 819 . 20 1 1 A 93 93 GLU N N 93 122.000 121.628 0.372 1
1 820 . 20 1 1 A 94 94 HIS H H 94 8.570 8.357 0.213 1
1 821 . 20 1 1 A 94 94 HIS HA H 94 4.630 5.119 -0.489 1
1 826 . 20 1 1 A 94 94 HIS CA C 94 55.000 54.063 0.937 1
1 827 . 20 1 1 A 94 94 HIS CB C 94 28.900 32.232 -3.332 1
1 830 . 20 1 1 A 94 94 HIS N N 94 119.700 120.143 -0.443 1
1 831 . 20 1 1 A 95 95 HIS H H 95 8.610 9.059 -0.449 1
1 832 . 20 1 1 A 95 95 HIS HA H 95 4.650 4.856 -0.206 1
1 837 . 20 1 1 A 95 95 HIS CA C 95 55.200 54.325 0.875 1
1 838 . 20 1 1 A 95 95 HIS CB C 95 28.900 33.870 -4.970 1
1 841 . 20 1 1 A 95 95 HIS N N 95 119.300 118.824 0.476 1
1 842 . 20 1 1 A 96 96 HIS H H 96 8.680 8.493 0.187 1
1 843 . 20 1 1 A 96 96 HIS HA H 96 4.660 5.041 -0.381 1
1 848 . 20 1 1 A 96 96 HIS CA C 96 55.200 54.442 0.758 1
1 849 . 20 1 1 A 96 96 HIS CB C 96 29.100 32.437 -3.337 1
1 852 . 20 1 1 A 96 96 HIS N N 96 120.100 118.362 1.738 1
1 853 . 20 1 1 A 97 97 HIS H H 97 8.580 9.218 -0.638 1
1 854 . 20 1 1 A 97 97 HIS HA H 97 4.660 4.792 -0.132 1
1 859 . 20 1 1 A 97 97 HIS CA C 97 55.400 57.357 -1.957 1
1 860 . 20 1 1 A 97 97 HIS CB C 97 29.200 31.922 -2.722 1
1 863 . 20 1 1 A 97 97 HIS N N 97 120.400 120.189 0.211 1
1 864 . 20 1 1 A 98 98 HIS H H 98 8.390 8.293 0.097 1
1 865 . 20 1 1 A 98 98 HIS HA H 98 4.620 5.089 -0.469 1
1 870 . 20 1 1 A 98 98 HIS CA C 98 55.500 53.990 1.510 1
1 871 . 20 1 1 A 98 98 HIS CB C 98 29.100 32.740 -3.640 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 77 1.267 1
3 1 1 1 "RMS(OBS, PRED)" CB 72 1.390 1
4 1 1 1 "RMS(OBS, PRED)" H 75 0.526 1
5 1 1 1 "RMS(OBS, PRED)" HA 82 0.337 1
6 1 1 1 "RMS(OBS, PRED)" N 74 3.049 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 77 1.221 1
9 1 2 1 "RMS(OBS, PRED)" CB 72 1.240 1
10 1 2 1 "RMS(OBS, PRED)" H 75 0.553 1
11 1 2 1 "RMS(OBS, PRED)" HA 82 0.287 1
12 1 2 1 "RMS(OBS, PRED)" N 74 2.945 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 77 1.134 1
15 1 3 1 "RMS(OBS, PRED)" CB 72 1.232 1
16 1 3 1 "RMS(OBS, PRED)" H 75 0.519 1
17 1 3 1 "RMS(OBS, PRED)" HA 82 0.298 1
18 1 3 1 "RMS(OBS, PRED)" N 74 3.117 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 77 1.101 1
21 1 4 1 "RMS(OBS, PRED)" CB 72 1.120 1
22 1 4 1 "RMS(OBS, PRED)" H 75 0.546 1
23 1 4 1 "RMS(OBS, PRED)" HA 82 0.301 1
24 1 4 1 "RMS(OBS, PRED)" N 74 3.349 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 77 1.135 1
27 1 5 1 "RMS(OBS, PRED)" CB 72 1.272 1
28 1 5 1 "RMS(OBS, PRED)" H 75 0.534 1
29 1 5 1 "RMS(OBS, PRED)" HA 82 0.355 1
30 1 5 1 "RMS(OBS, PRED)" N 74 3.117 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 77 1.132 1
33 1 6 1 "RMS(OBS, PRED)" CB 72 1.154 1
34 1 6 1 "RMS(OBS, PRED)" H 75 0.478 1
35 1 6 1 "RMS(OBS, PRED)" HA 82 0.275 1
36 1 6 1 "RMS(OBS, PRED)" N 74 3.200 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 77 1.293 1
39 1 7 1 "RMS(OBS, PRED)" CB 72 1.362 1
40 1 7 1 "RMS(OBS, PRED)" H 75 0.505 1
41 1 7 1 "RMS(OBS, PRED)" HA 82 0.285 1
42 1 7 1 "RMS(OBS, PRED)" N 74 3.145 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 77 1.150 1
45 1 8 1 "RMS(OBS, PRED)" CB 72 1.326 1
46 1 8 1 "RMS(OBS, PRED)" H 75 0.557 1
47 1 8 1 "RMS(OBS, PRED)" HA 82 0.344 1
48 1 8 1 "RMS(OBS, PRED)" N 74 3.303 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 77 1.176 1
51 1 9 1 "RMS(OBS, PRED)" CB 72 1.270 1
52 1 9 1 "RMS(OBS, PRED)" H 75 0.551 1
53 1 9 1 "RMS(OBS, PRED)" HA 82 0.324 1
54 1 9 1 "RMS(OBS, PRED)" N 74 3.393 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 77 1.204 1
57 1 10 1 "RMS(OBS, PRED)" CB 72 1.215 1
58 1 10 1 "RMS(OBS, PRED)" H 75 0.492 1
59 1 10 1 "RMS(OBS, PRED)" HA 82 0.281 1
60 1 10 1 "RMS(OBS, PRED)" N 74 3.088 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 77 1.080 1
63 1 11 1 "RMS(OBS, PRED)" CB 72 1.311 1
64 1 11 1 "RMS(OBS, PRED)" H 75 0.564 1
65 1 11 1 "RMS(OBS, PRED)" HA 82 0.315 1
66 1 11 1 "RMS(OBS, PRED)" N 74 3.050 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 77 1.255 1
69 1 12 1 "RMS(OBS, PRED)" CB 72 1.304 1
70 1 12 1 "RMS(OBS, PRED)" H 75 0.569 1
71 1 12 1 "RMS(OBS, PRED)" HA 82 0.339 1
72 1 12 1 "RMS(OBS, PRED)" N 74 3.317 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 77 1.183 1
75 1 13 1 "RMS(OBS, PRED)" CB 72 1.132 1
76 1 13 1 "RMS(OBS, PRED)" H 75 0.540 1
77 1 13 1 "RMS(OBS, PRED)" HA 82 0.319 1
78 1 13 1 "RMS(OBS, PRED)" N 74 3.571 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 77 1.180 1
81 1 14 1 "RMS(OBS, PRED)" CB 72 1.235 1
82 1 14 1 "RMS(OBS, PRED)" H 75 0.503 1
83 1 14 1 "RMS(OBS, PRED)" HA 82 0.281 1
84 1 14 1 "RMS(OBS, PRED)" N 74 3.106 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 77 1.328 1
87 1 15 1 "RMS(OBS, PRED)" CB 72 1.329 1
88 1 15 1 "RMS(OBS, PRED)" H 75 0.546 1
89 1 15 1 "RMS(OBS, PRED)" HA 82 0.300 1
90 1 15 1 "RMS(OBS, PRED)" N 74 3.142 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 77 1.060 1
93 1 16 1 "RMS(OBS, PRED)" CB 72 1.315 1
94 1 16 1 "RMS(OBS, PRED)" H 75 0.512 1
95 1 16 1 "RMS(OBS, PRED)" HA 82 0.348 1
96 1 16 1 "RMS(OBS, PRED)" N 74 3.227 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 77 1.019 1
99 1 17 1 "RMS(OBS, PRED)" CB 72 1.136 1
100 1 17 1 "RMS(OBS, PRED)" H 75 0.549 1
101 1 17 1 "RMS(OBS, PRED)" HA 82 0.313 1
102 1 17 1 "RMS(OBS, PRED)" N 74 3.114 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 77 1.188 1
105 1 18 1 "RMS(OBS, PRED)" CB 72 1.162 1
106 1 18 1 "RMS(OBS, PRED)" H 75 0.551 1
107 1 18 1 "RMS(OBS, PRED)" HA 82 0.317 1
108 1 18 1 "RMS(OBS, PRED)" N 74 3.159 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 77 1.242 1
111 1 19 1 "RMS(OBS, PRED)" CB 72 1.287 1
112 1 19 1 "RMS(OBS, PRED)" H 75 0.556 1
113 1 19 1 "RMS(OBS, PRED)" HA 82 0.302 1
114 1 19 1 "RMS(OBS, PRED)" N 74 3.202 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 77 1.029 1
117 1 20 1 "RMS(OBS, PRED)" CB 72 1.520 1
118 1 20 1 "RMS(OBS, PRED)" H 75 0.474 1
119 1 20 1 "RMS(OBS, PRED)" HA 82 0.272 1
120 1 20 1 "RMS(OBS, PRED)" N 74 2.982 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 22 22 ALA HA H 22 4.130 4.618 -0.488 2
1 5 . 1 1 A 22 22 ALA CA C 22 50.900 52.589 -1.689 2
1 6 . 1 1 A 22 22 ALA CB C 22 20.200 18.879 1.321 2
1 7 . 1 1 A 23 23 GLU H H 23 7.920 8.681 -0.761 2
1 8 . 1 1 A 23 23 GLU HA H 23 4.710 4.861 -0.151 2
1 13 . 1 1 A 23 23 GLU CA C 23 54.300 54.960 -0.660 2
1 14 . 1 1 A 23 23 GLU CB C 23 32.500 33.288 -0.788 2
1 16 . 1 1 A 23 23 GLU N N 23 117.600 121.513 -3.913 2
1 17 . 1 1 A 24 24 ILE H H 24 8.870 8.524 0.346 2
1 18 . 1 1 A 24 24 ILE HA H 24 4.870 4.614 0.256 2
1 28 . 1 1 A 24 24 ILE CA C 24 60.200 60.487 -0.287 2
1 29 . 1 1 A 24 24 ILE CB C 24 38.100 38.325 -0.225 2
1 33 . 1 1 A 24 24 ILE N N 24 123.800 124.146 -0.346 2
1 34 . 1 1 A 25 25 MET H H 25 8.720 8.735 -0.015 2
1 35 . 1 1 A 25 25 MET HA H 25 4.760 5.089 -0.329 2
1 40 . 1 1 A 25 25 MET CA C 25 54.300 53.993 0.307 2
1 41 . 1 1 A 25 25 MET CB C 25 37.100 35.856 1.244 2
1 43 . 1 1 A 25 25 MET N N 25 127.100 125.208 1.892 2
1 44 . 1 1 A 26 26 LYS H H 26 9.190 8.676 0.514 2
1 45 . 1 1 A 26 26 LYS HA H 26 4.320 4.339 -0.019 2
1 54 . 1 1 A 26 26 LYS CA C 26 56.600 56.186 0.414 2
1 55 . 1 1 A 26 26 LYS CB C 26 32.900 33.157 -0.257 2
1 59 . 1 1 A 26 26 LYS N N 26 123.500 121.421 2.079 2
1 60 . 1 1 A 27 27 LYS H H 27 8.870 8.965 -0.095 2
1 61 . 1 1 A 27 27 LYS HA H 27 3.860 4.014 -0.154 2
1 70 . 1 1 A 27 27 LYS CA C 27 60.500 59.418 1.082 2
1 71 . 1 1 A 27 27 LYS CB C 27 32.400 32.186 0.214 2
1 75 . 1 1 A 27 27 LYS N N 27 126.200 123.863 2.337 2
1 76 . 1 1 A 28 28 THR H H 28 8.110 8.089 0.021 2
1 77 . 1 1 A 28 28 THR HA H 28 4.130 3.982 0.147 2
1 82 . 1 1 A 28 28 THR CA C 28 64.600 66.379 -1.779 2
1 83 . 1 1 A 28 28 THR CB C 28 68.000 68.385 -0.385 2
1 85 . 1 1 A 28 28 THR N N 28 107.100 115.577 -8.477 2
1 86 . 1 1 A 29 29 ASP H H 29 6.770 8.258 -1.488 2
1 87 . 1 1 A 29 29 ASP HA H 29 4.580 4.358 0.222 2
1 90 . 1 1 A 29 29 ASP CA C 29 56.600 57.101 -0.501 2
1 91 . 1 1 A 29 29 ASP CB C 29 40.600 40.353 0.247 2
1 92 . 1 1 A 29 29 ASP N N 29 119.500 121.704 -2.204 2
1 93 . 1 1 A 30 30 PHE H H 30 8.630 8.809 -0.179 2
1 94 . 1 1 A 30 30 PHE HA H 30 3.930 3.979 -0.049 2
1 102 . 1 1 A 30 30 PHE CA C 30 60.800 60.752 0.048 2
1 103 . 1 1 A 30 30 PHE CB C 30 38.900 39.025 -0.125 2
1 107 . 1 1 A 30 30 PHE N N 30 123.300 121.666 1.634 2
1 108 . 1 1 A 31 31 ASP H H 31 8.650 8.300 0.350 2
1 109 . 1 1 A 31 31 ASP HA H 31 4.150 3.967 0.183 2
1 112 . 1 1 A 31 31 ASP CA C 31 57.000 57.198 -0.198 2
1 113 . 1 1 A 31 31 ASP CB C 31 39.800 41.086 -1.286 2
1 114 . 1 1 A 31 31 ASP N N 31 117.000 118.773 -1.773 2
1 115 . 1 1 A 32 32 LYS H H 32 6.930 7.525 -0.595 2
1 116 . 1 1 A 32 32 LYS HA H 32 4.110 4.086 0.024 2
1 125 . 1 1 A 32 32 LYS CA C 32 58.300 58.868 -0.568 2
1 126 . 1 1 A 32 32 LYS CB C 32 33.100 32.558 0.542 2
1 130 . 1 1 A 32 32 LYS N N 32 114.800 119.135 -4.335 2
1 131 . 1 1 A 33 33 VAL H H 33 7.400 8.043 -0.643 2
1 132 . 1 1 A 33 33 VAL HA H 33 4.620 3.977 0.643 2
1 140 . 1 1 A 33 33 VAL CA C 33 60.100 63.604 -3.504 2
1 141 . 1 1 A 33 33 VAL CB C 33 32.300 31.328 0.972 2
1 144 . 1 1 A 33 33 VAL N N 33 109.100 115.565 -6.465 2
1 145 . 1 1 A 34 34 ALA H H 34 6.710 7.949 -1.239 2
1 146 . 1 1 A 34 34 ALA HA H 34 3.010 3.814 -0.804 2
1 150 . 1 1 A 34 34 ALA CA C 34 55.100 54.244 0.856 2
1 151 . 1 1 A 34 34 ALA CB C 34 19.200 17.893 1.307 2
1 152 . 1 1 A 34 34 ALA N N 34 124.300 125.115 -0.815 2
1 153 . 1 1 A 35 35 SER H H 35 8.120 7.828 0.292 2
1 154 . 1 1 A 35 35 SER HA H 35 4.320 4.137 0.183 2
1 157 . 1 1 A 35 35 SER CA C 35 60.400 60.967 -0.567 2
1 158 . 1 1 A 35 35 SER CB C 35 62.400 63.145 -0.745 2
1 159 . 1 1 A 35 35 SER N N 35 110.400 112.778 -2.378 2
1 160 . 1 1 A 36 36 GLU H H 36 8.300 7.995 0.305 2
1 161 . 1 1 A 36 36 GLU HA H 36 4.270 4.462 -0.192 2
1 166 . 1 1 A 36 36 GLU CA C 36 55.700 56.165 -0.465 2
1 167 . 1 1 A 36 36 GLU CB C 36 28.900 30.489 -1.589 2
1 169 . 1 1 A 36 36 GLU N N 36 119.200 117.710 1.490 2
1 170 . 1 1 A 37 37 TYR H H 37 7.920 7.579 0.341 2
1 171 . 1 1 A 37 37 TYR HA H 37 5.150 5.255 -0.105 2
1 178 . 1 1 A 37 37 TYR CA C 37 57.900 56.368 1.532 2
1 179 . 1 1 A 37 37 TYR CB C 37 44.100 42.844 1.256 2
1 182 . 1 1 A 37 37 TYR N N 37 117.200 119.258 -2.058 2
1 183 . 1 1 A 38 38 THR H H 38 9.480 9.277 0.203 2
1 184 . 1 1 A 38 38 THR HA H 38 4.840 5.072 -0.232 2
1 189 . 1 1 A 38 38 THR CA C 38 60.400 61.183 -0.783 2
1 190 . 1 1 A 38 38 THR CB C 38 71.200 72.399 -1.199 2
1 192 . 1 1 A 38 38 THR N N 38 115.400 115.714 -0.314 2
1 193 . 1 1 A 39 39 LYS H H 39 9.290 8.876 0.414 2
1 194 . 1 1 A 39 39 LYS HA H 39 3.880 4.173 -0.293 2
1 203 . 1 1 A 39 39 LYS CA C 39 57.500 56.254 1.246 2
1 204 . 1 1 A 39 39 LYS CB C 39 32.300 32.874 -0.574 2
1 208 . 1 1 A 39 39 LYS N N 39 130.400 128.066 2.334 2
1 209 . 1 1 A 40 40 ILE H H 40 8.820 8.552 0.268 2
1 210 . 1 1 A 40 40 ILE HA H 40 4.550 4.500 0.050 2
1 220 . 1 1 A 40 40 ILE CA C 40 60.900 60.868 0.032 2
1 221 . 1 1 A 40 40 ILE CB C 40 39.200 38.665 0.535 2
1 225 . 1 1 A 40 40 ILE N N 40 121.900 122.533 -0.633 2
1 226 . 1 1 A 41 41 GLY H H 41 7.130 7.166 -0.036 2
1 227 . 1 1 A 41 41 GLY HA2 H 41 3.950 4.005 -0.055 2
1 228 . 1 1 A 41 41 GLY HA3 H 41 4.260 4.016 0.244 2
1 229 . 1 1 A 41 41 GLY CA C 41 45.100 44.473 0.627 2
1 230 . 1 1 A 41 41 GLY N N 41 107.400 109.484 -2.084 2
1 231 . 1 1 A 42 42 THR H H 42 8.210 8.250 -0.040 2
1 232 . 1 1 A 42 42 THR HA H 42 5.230 4.980 0.250 2
1 237 . 1 1 A 42 42 THR CA C 42 60.900 61.477 -0.577 2
1 238 . 1 1 A 42 42 THR CB C 42 72.300 71.011 1.289 2
1 240 . 1 1 A 42 42 THR N N 42 115.100 115.473 -0.373 2
1 241 . 1 1 A 43 43 ILE H H 43 9.130 9.293 -0.163 2
1 242 . 1 1 A 43 43 ILE HA H 43 4.790 5.156 -0.366 2
1 252 . 1 1 A 43 43 ILE CA C 43 59.400 58.990 0.410 2
1 253 . 1 1 A 43 43 ILE CB C 43 42.600 42.001 0.599 2
1 257 . 1 1 A 43 43 ILE N N 43 118.000 120.149 -2.149 2
1 258 . 1 1 A 44 44 SER H H 44 8.330 8.656 -0.326 2
1 259 . 1 1 A 44 44 SER HA H 44 5.250 5.035 0.214 2
1 262 . 1 1 A 44 44 SER CA C 44 56.700 57.012 -0.312 2
1 263 . 1 1 A 44 44 SER CB C 44 66.000 65.593 0.407 2
1 264 . 1 1 A 44 44 SER N N 44 113.300 116.574 -3.274 2
1 265 . 1 1 A 45 45 THR H H 45 8.380 8.524 -0.144 2
1 266 . 1 1 A 45 45 THR HA H 45 4.550 5.130 -0.580 2
1 271 . 1 1 A 45 45 THR CA C 45 60.900 60.313 0.587 2
1 272 . 1 1 A 45 45 THR CB C 45 70.000 70.951 -0.951 2
1 274 . 1 1 A 45 45 THR N N 45 113.300 113.696 -0.396 2
1 275 . 1 1 A 46 46 THR H H 46 8.540 8.678 -0.138 2
1 276 . 1 1 A 46 46 THR HA H 46 4.400 4.998 -0.598 2
1 281 . 1 1 A 46 46 THR CA C 46 62.000 60.826 1.174 2
1 282 . 1 1 A 46 46 THR CB C 46 69.300 71.329 -2.029 2
1 284 . 1 1 A 46 46 THR N N 46 117.700 118.173 -0.473 2
1 285 . 1 1 A 47 47 GLY H H 47 8.320 8.267 0.053 2
1 286 . 1 1 A 47 47 GLY HA2 H 47 3.890 4.141 -0.251 2
1 287 . 1 1 A 47 47 GLY HA3 H 47 3.980 4.150 -0.170 2
1 288 . 1 1 A 47 47 GLY CA C 47 44.800 45.618 -0.818 2
1 289 . 1 1 A 47 47 GLY N N 47 111.700 112.696 -0.996 2
1 290 . 1 1 A 48 48 GLU H H 48 8.430 8.552 -0.122 2
1 291 . 1 1 A 48 48 GLU HA H 48 4.390 4.728 -0.338 2
1 296 . 1 1 A 48 48 GLU CA C 48 55.600 55.864 -0.264 2
1 297 . 1 1 A 48 48 GLU CB C 48 29.400 30.306 -0.906 2
1 299 . 1 1 A 48 48 GLU N N 48 120.100 120.061 0.039 2
1 300 . 1 1 A 49 49 MET H H 49 8.390 8.321 0.069 2
1 301 . 1 1 A 49 49 MET HA H 49 4.700 5.031 -0.331 2
1 306 . 1 1 A 49 49 MET CA C 49 55.000 54.059 0.941 2
1 307 . 1 1 A 49 49 MET CB C 49 35.900 37.000 -1.100 2
1 309 . 1 1 A 49 49 MET N N 49 120.000 122.266 -2.266 2
1 310 . 1 1 A 50 50 SER H H 50 9.020 8.621 0.399 2
1 311 . 1 1 A 50 50 SER HA H 50 4.780 4.727 0.053 2
1 314 . 1 1 A 50 50 SER CA C 50 57.700 56.776 0.924 2
1 315 . 1 1 A 50 50 SER CB C 50 62.600 63.069 -0.469 2
1 316 . 1 1 A 50 50 SER N N 50 117.900 116.150 1.750 2
1 317 . 1 1 A 51 51 PRO HA H 51 4.240 4.290 -0.050 2
1 324 . 1 1 A 51 51 PRO CA C 51 66.000 65.841 0.159 2
1 325 . 1 1 A 51 51 PRO CB C 51 31.800 31.730 0.070 2
1 328 . 1 1 A 52 52 LEU H H 52 8.160 7.672 0.488 2
1 329 . 1 1 A 52 52 LEU HA H 52 4.110 4.023 0.087 2
1 339 . 1 1 A 52 52 LEU CA C 52 57.900 57.335 0.565 2
1 340 . 1 1 A 52 52 LEU CB C 52 41.400 41.487 -0.087 2
1 344 . 1 1 A 52 52 LEU N N 52 117.600 116.886 0.714 2
1 345 . 1 1 A 53 53 ASP H H 53 7.510 8.285 -0.775 2
1 346 . 1 1 A 53 53 ASP HA H 53 4.420 4.349 0.071 2
1 349 . 1 1 A 53 53 ASP CA C 53 56.600 57.508 -0.908 2
1 350 . 1 1 A 53 53 ASP CB C 53 39.800 40.728 -0.928 2
1 351 . 1 1 A 53 53 ASP N N 53 119.900 119.623 0.277 2
1 352 . 1 1 A 54 54 ALA H H 54 8.800 8.480 0.320 2
1 353 . 1 1 A 54 54 ALA HA H 54 4.210 4.045 0.165 2
1 357 . 1 1 A 54 54 ALA CA C 54 54.700 55.046 -0.346 2
1 358 . 1 1 A 54 54 ALA CB C 54 18.200 18.208 -0.008 2
1 359 . 1 1 A 54 54 ALA N N 54 123.400 122.066 1.334 2
1 360 . 1 1 A 55 55 ARG H H 55 7.860 7.901 -0.041 2
1 361 . 1 1 A 55 55 ARG HA H 55 3.730 4.024 -0.294 2
1 368 . 1 1 A 55 55 ARG CA C 55 60.200 59.745 0.455 2
1 369 . 1 1 A 55 55 ARG CB C 55 30.100 30.009 0.091 2
1 372 . 1 1 A 55 55 ARG N N 55 117.100 117.692 -0.592 2
1 373 . 1 1 A 56 56 GLU H H 56 7.630 8.410 -0.780 2
1 374 . 1 1 A 56 56 GLU HA H 56 4.000 4.033 -0.033 2
1 379 . 1 1 A 56 56 GLU CA C 56 58.800 59.503 -0.703 2
1 380 . 1 1 A 56 56 GLU CB C 56 28.300 29.074 -0.774 2
1 382 . 1 1 A 56 56 GLU N N 56 115.900 119.704 -3.804 2
1 383 . 1 1 A 57 57 ASP H H 57 8.120 8.034 0.086 2
1 384 . 1 1 A 57 57 ASP HA H 57 4.380 4.383 -0.003 2
1 387 . 1 1 A 57 57 ASP CA C 57 57.400 57.012 0.388 2
1 388 . 1 1 A 57 57 ASP CB C 57 42.500 41.192 1.308 2
1 389 . 1 1 A 57 57 ASP N N 57 120.200 119.757 0.443 2
1 390 . 1 1 A 58 58 LEU H H 58 8.160 8.110 0.050 2
1 391 . 1 1 A 58 58 LEU HA H 58 3.860 4.024 -0.164 2
1 401 . 1 1 A 58 58 LEU CA C 58 57.500 57.976 -0.476 2
1 402 . 1 1 A 58 58 LEU CB C 58 41.400 41.969 -0.569 2
1 406 . 1 1 A 58 58 LEU N N 58 117.300 119.620 -2.320 2
1 407 . 1 1 A 59 59 ILE H H 59 8.020 8.588 -0.568 2
1 408 . 1 1 A 59 59 ILE HA H 59 3.300 3.490 -0.191 2
1 418 . 1 1 A 59 59 ILE CA C 59 65.700 65.607 0.093 2
1 419 . 1 1 A 59 59 ILE CB C 59 37.500 37.750 -0.250 2
1 423 . 1 1 A 59 59 ILE N N 59 118.600 119.456 -0.856 2
1 424 . 1 1 A 60 60 LYS H H 60 7.890 8.245 -0.355 2
1 425 . 1 1 A 60 60 LYS HA H 60 4.090 3.985 0.105 2
1 434 . 1 1 A 60 60 LYS CA C 60 59.800 59.624 0.176 2
1 435 . 1 1 A 60 60 LYS CB C 60 31.900 32.122 -0.222 2
1 439 . 1 1 A 60 60 LYS N N 60 119.400 119.674 -0.274 2
1 440 . 1 1 A 61 61 LYS H H 61 8.080 8.011 0.069 2
1 441 . 1 1 A 61 61 LYS HA H 61 3.980 4.082 -0.102 2
1 450 . 1 1 A 61 61 LYS CA C 61 59.200 59.005 0.195 2
1 451 . 1 1 A 61 61 LYS CB C 61 33.500 32.305 1.195 2
1 455 . 1 1 A 61 61 LYS N N 61 119.200 119.887 -0.687 2
1 456 . 1 1 A 62 62 ALA H H 62 8.490 8.361 0.129 2
1 457 . 1 1 A 62 62 ALA HA H 62 3.770 4.071 -0.301 2
1 461 . 1 1 A 62 62 ALA CA C 62 54.900 55.103 -0.203 2
1 462 . 1 1 A 62 62 ALA CB C 62 19.100 18.401 0.699 2
1 463 . 1 1 A 62 62 ALA N N 62 122.200 121.878 0.322 2
1 464 . 1 1 A 63 63 ASP H H 63 8.850 8.188 0.661 2
1 465 . 1 1 A 63 63 ASP HA H 63 4.590 4.356 0.234 2
1 468 . 1 1 A 63 63 ASP CA C 63 56.900 57.471 -0.571 2
1 469 . 1 1 A 63 63 ASP CB C 63 39.000 41.404 -2.405 2
1 470 . 1 1 A 63 63 ASP N N 63 120.200 118.320 1.880 2
1 471 . 1 1 A 64 64 GLU H H 64 8.050 8.463 -0.413 2
1 472 . 1 1 A 64 64 GLU HA H 64 4.070 4.048 0.022 2
1 477 . 1 1 A 64 64 GLU CA C 64 58.800 59.194 -0.394 2
1 478 . 1 1 A 64 64 GLU CB C 64 29.000 29.356 -0.356 2
1 480 . 1 1 A 64 64 GLU N N 64 121.300 119.055 2.245 2
1 481 . 1 1 A 65 65 LYS H H 65 7.180 7.839 -0.659 2
1 482 . 1 1 A 65 65 LYS HA H 65 4.310 4.334 -0.024 2
1 491 . 1 1 A 65 65 LYS CA C 65 54.800 56.899 -2.099 2
1 492 . 1 1 A 65 65 LYS CB C 65 33.000 33.222 -0.222 2
1 496 . 1 1 A 65 65 LYS N N 65 115.600 118.118 -2.518 2
1 497 . 1 1 A 66 66 GLY H H 66 7.870 7.886 -0.016 2
1 498 . 1 1 A 66 66 GLY HA2 H 66 3.860 3.861 -0.001 2
1 499 . 1 1 A 66 66 GLY HA3 H 66 3.980 3.957 0.023 2
1 500 . 1 1 A 66 66 GLY CA C 66 45.700 45.810 -0.110 2
1 501 . 1 1 A 66 66 GLY N N 66 107.500 107.559 -0.059 2
1 502 . 1 1 A 67 67 ALA H H 67 7.920 7.937 -0.017 2
1 503 . 1 1 A 67 67 ALA HA H 67 4.020 4.546 -0.526 2
1 507 . 1 1 A 67 67 ALA CA C 67 51.700 51.517 0.183 2
1 508 . 1 1 A 67 67 ALA CB C 67 21.100 20.532 0.569 2
1 509 . 1 1 A 67 67 ALA N N 67 118.900 122.708 -3.808 2
1 510 . 1 1 A 68 68 ASP H H 68 8.790 9.227 -0.437 2
1 511 . 1 1 A 68 68 ASP HA H 68 5.070 4.902 0.168 2
1 514 . 1 1 A 68 68 ASP CA C 68 56.500 55.881 0.619 2
1 515 . 1 1 A 68 68 ASP CB C 68 44.900 42.952 1.948 2
1 516 . 1 1 A 68 68 ASP N N 68 116.500 120.403 -3.903 2
1 517 . 1 1 A 69 69 VAL H H 69 8.070 8.142 -0.072 2
1 518 . 1 1 A 69 69 VAL HA H 69 5.130 4.953 0.177 2
1 526 . 1 1 A 69 69 VAL CA C 69 60.300 60.645 -0.345 2
1 527 . 1 1 A 69 69 VAL CB C 69 37.400 35.283 2.117 2
1 530 . 1 1 A 69 69 VAL N N 69 118.400 117.771 0.629 2
1 531 . 1 1 A 70 70 VAL H H 70 8.720 9.077 -0.357 2
1 532 . 1 1 A 70 70 VAL HA H 70 4.550 5.021 -0.471 2
1 540 . 1 1 A 70 70 VAL CA C 70 59.800 59.448 0.352 2
1 541 . 1 1 A 70 70 VAL CB C 70 34.200 34.826 -0.626 2
1 544 . 1 1 A 70 70 VAL N N 70 127.300 121.866 5.434 2
1 545 . 1 1 A 71 71 VAL H H 71 8.890 8.954 -0.064 2
1 546 . 1 1 A 71 71 VAL HA H 71 4.550 4.541 0.009 2
1 554 . 1 1 A 71 71 VAL CA C 71 60.800 60.859 -0.059 2
1 555 . 1 1 A 71 71 VAL CB C 71 34.000 34.034 -0.034 2
1 558 . 1 1 A 71 71 VAL N N 71 126.700 122.837 3.864 2
1 559 . 1 1 A 72 72 LEU H H 72 8.800 8.746 0.054 2
1 560 . 1 1 A 72 72 LEU HA H 72 4.440 4.423 0.017 2
1 570 . 1 1 A 72 72 LEU CA C 72 55.700 54.383 1.317 2
1 571 . 1 1 A 72 72 LEU CB C 72 41.500 40.653 0.847 2
1 575 . 1 1 A 72 72 LEU N N 72 127.400 128.335 -0.935 2
1 576 . 1 1 A 73 73 THR H H 73 8.630 8.164 0.466 2
1 577 . 1 1 A 73 73 THR HA H 73 4.430 4.173 0.257 2
1 582 . 1 1 A 73 73 THR CA C 73 61.500 63.773 -2.273 2
1 583 . 1 1 A 73 73 THR CB C 73 69.400 69.243 0.157 2
1 585 . 1 1 A 73 73 THR N N 73 114.000 117.085 -3.085 2
1 586 . 1 1 A 74 74 SER H H 74 8.130 7.799 0.331 2
1 587 . 1 1 A 74 74 SER HA H 74 4.540 4.437 0.103 2
1 590 . 1 1 A 74 74 SER CA C 74 58.000 59.202 -1.202 2
1 591 . 1 1 A 74 74 SER CB C 74 63.800 63.541 0.259 2
1 592 . 1 1 A 74 74 SER N N 74 116.000 116.644 -0.644 2
1 593 . 1 1 A 75 75 GLY H H 75 8.570 8.577 -0.007 2
1 594 . 1 1 A 75 75 GLY HA2 H 75 4.040 4.103 -0.063 2
1 595 . 1 1 A 75 75 GLY HA3 H 75 4.040 4.121 -0.081 2
1 596 . 1 1 A 75 75 GLY CA C 75 45.100 45.660 -0.560 2
1 597 . 1 1 A 75 75 GLY N N 75 109.800 110.492 -0.692 2
1 598 . 1 1 A 76 76 GLN H H 76 8.390 8.385 0.005 2
1 599 . 1 1 A 76 76 GLN HA H 76 4.490 4.406 0.084 2
1 606 . 1 1 A 76 76 GLN CA C 76 55.900 55.965 -0.065 2
1 607 . 1 1 A 76 76 GLN CB C 76 29.600 28.776 0.824 2
1 609 . 1 1 A 76 76 GLN N N 76 119.200 121.392 -2.192 2
1 611 . 1 1 A 77 77 THR H H 77 8.100 8.227 -0.127 2
1 612 . 1 1 A 77 77 THR HA H 77 4.420 4.434 -0.015 2
1 617 . 1 1 A 77 77 THR CA C 77 61.300 62.728 -1.428 2
1 618 . 1 1 A 77 77 THR CB C 77 69.700 69.443 0.257 2
1 620 . 1 1 A 77 77 THR N N 77 113.000 115.213 -2.213 2
1 621 . 1 1 A 78 78 GLU H H 78 8.450 8.231 0.219 2
1 622 . 1 1 A 78 78 GLU HA H 78 4.250 4.348 -0.098 2
1 627 . 1 1 A 78 78 GLU CA C 78 56.900 58.398 -1.498 2
1 628 . 1 1 A 78 78 GLU CB C 78 29.500 30.200 -0.700 2
1 630 . 1 1 A 78 78 GLU N N 78 120.700 121.941 -1.241 2
1 631 . 1 1 A 79 79 ASN H H 79 8.320 8.355 -0.035 2
1 632 . 1 1 A 79 79 ASN HA H 79 4.600 4.639 -0.039 2
1 637 . 1 1 A 79 79 ASN CA C 79 53.700 55.761 -2.061 2
1 638 . 1 1 A 79 79 ASN CB C 79 38.600 39.037 -0.437 2
1 639 . 1 1 A 79 79 ASN N N 79 117.000 118.392 -1.392 2
1 641 . 1 1 A 80 80 LYS H H 80 7.910 7.820 0.090 2
1 642 . 1 1 A 80 80 LYS HA H 80 4.300 4.501 -0.201 2
1 651 . 1 1 A 80 80 LYS CA C 80 56.000 55.535 0.465 2
1 652 . 1 1 A 80 80 LYS CB C 80 33.300 32.915 0.385 2
1 656 . 1 1 A 80 80 LYS N N 80 118.800 114.390 4.410 2
1 657 . 1 1 A 81 81 ILE H H 81 8.340 8.031 0.309 2
1 658 . 1 1 A 81 81 ILE HA H 81 4.300 4.542 -0.242 2
1 668 . 1 1 A 81 81 ILE CA C 81 60.500 61.396 -0.896 2
1 669 . 1 1 A 81 81 ILE CB C 81 39.800 38.649 1.151 2
1 673 . 1 1 A 81 81 ILE N N 81 119.600 117.968 1.632 2
1 674 . 1 1 A 82 82 HIS H H 82 8.470 8.754 -0.284 2
1 675 . 1 1 A 82 82 HIS HA H 82 4.780 5.010 -0.230 2
1 680 . 1 1 A 82 82 HIS CA C 82 54.700 54.895 -0.195 2
1 681 . 1 1 A 82 82 HIS CB C 82 28.900 30.239 -1.339 2
1 684 . 1 1 A 82 82 HIS N N 82 121.600 124.991 -3.391 2
1 685 . 1 1 A 83 83 GLY H H 83 8.340 8.120 0.220 2
1 686 . 1 1 A 83 83 GLY HA2 H 83 3.690 3.896 -0.206 2
1 687 . 1 1 A 83 83 GLY HA3 H 83 4.190 3.918 0.272 2
1 688 . 1 1 A 83 83 GLY CA C 83 45.000 45.011 -0.011 2
1 689 . 1 1 A 83 83 GLY N N 83 111.600 110.530 1.070 2
1 690 . 1 1 A 84 84 THR H H 84 8.120 8.607 -0.488 2
1 691 . 1 1 A 84 84 THR HA H 84 5.030 5.292 -0.262 2
1 696 . 1 1 A 84 84 THR CA C 84 60.100 60.056 0.044 2
1 697 . 1 1 A 84 84 THR CB C 84 72.000 72.004 -0.004 2
1 699 . 1 1 A 84 84 THR N N 84 112.300 113.957 -1.657 2
1 700 . 1 1 A 85 85 ALA H H 85 8.840 9.058 -0.218 2
1 701 . 1 1 A 85 85 ALA HA H 85 4.950 5.223 -0.273 2
1 705 . 1 1 A 85 85 ALA CA C 85 51.200 50.903 0.297 2
1 706 . 1 1 A 85 85 ALA CB C 85 23.800 22.584 1.216 2
1 707 . 1 1 A 85 85 ALA N N 85 122.500 123.847 -1.347 2
1 708 . 1 1 A 86 86 ASP H H 86 8.510 9.132 -0.622 2
1 709 . 1 1 A 86 86 ASP HA H 86 5.200 5.284 -0.084 2
1 712 . 1 1 A 86 86 ASP CA C 86 53.400 52.941 0.459 2
1 713 . 1 1 A 86 86 ASP CB C 86 43.100 43.440 -0.340 2
1 714 . 1 1 A 86 86 ASP N N 86 121.400 122.732 -1.332 2
1 715 . 1 1 A 87 87 ILE H H 87 7.970 8.621 -0.651 2
1 716 . 1 1 A 87 87 ILE HA H 87 5.370 5.229 0.141 2
1 726 . 1 1 A 87 87 ILE CA C 87 58.200 59.273 -1.073 2
1 727 . 1 1 A 87 87 ILE CB C 87 41.200 40.746 0.454 2
1 731 . 1 1 A 87 87 ILE N N 87 111.200 120.310 -9.110 2
1 732 . 1 1 A 88 88 TYR H H 88 8.750 9.674 -0.923 2
1 733 . 1 1 A 88 88 TYR HA H 88 5.440 5.404 0.036 2
1 740 . 1 1 A 88 88 TYR CA C 88 56.900 56.252 0.648 2
1 741 . 1 1 A 88 88 TYR CB C 88 44.000 43.431 0.568 2
1 744 . 1 1 A 88 88 TYR N N 88 118.000 121.556 -3.556 2
1 745 . 1 1 A 89 89 LYS H H 89 9.590 9.464 0.126 2
1 746 . 1 1 A 89 89 LYS HA H 89 5.170 5.083 0.087 2
1 755 . 1 1 A 89 89 LYS CA C 89 54.400 54.348 0.052 2
1 756 . 1 1 A 89 89 LYS CB C 89 36.800 35.623 1.177 2
1 760 . 1 1 A 89 89 LYS N N 89 123.500 121.544 1.956 2
1 761 . 1 1 A 90 90 LYS H H 90 10.190 8.472 1.718 2
1 762 . 1 1 A 90 90 LYS HA H 90 3.810 3.629 0.181 2
1 771 . 1 1 A 90 90 LYS CA C 90 57.500 55.968 1.532 2
1 772 . 1 1 A 90 90 LYS CB C 90 32.700 32.938 -0.238 2
1 776 . 1 1 A 90 90 LYS N N 90 129.200 123.828 5.372 2
1 777 . 1 1 A 91 91 LYS H H 91 8.450 8.486 -0.037 2
1 778 . 1 1 A 91 91 LYS HA H 91 4.100 4.490 -0.390 2
1 787 . 1 1 A 91 91 LYS CA C 91 57.300 55.297 2.003 2
1 788 . 1 1 A 91 91 LYS CB C 91 33.100 33.981 -0.881 2
1 792 . 1 1 A 91 91 LYS N N 91 125.900 123.769 2.131 2
1 793 . 1 1 A 92 92 LEU H H 92 8.270 8.395 -0.125 2
1 794 . 1 1 A 92 92 LEU HA H 92 4.280 4.420 -0.140 2
1 804 . 1 1 A 92 92 LEU CA C 92 54.600 55.204 -0.604 2
1 805 . 1 1 A 92 92 LEU CB C 92 42.100 42.124 -0.024 2
1 809 . 1 1 A 92 92 LEU N N 92 123.200 120.381 2.819 2
1 810 . 1 1 A 93 93 GLU H H 93 8.310 7.779 0.531 2
1 811 . 1 1 A 93 93 GLU HA H 93 4.220 4.488 -0.268 2
1 816 . 1 1 A 93 93 GLU CA C 93 55.700 55.899 -0.199 2
1 817 . 1 1 A 93 93 GLU CB C 93 30.200 30.300 -0.100 2
1 819 . 1 1 A 93 93 GLU N N 93 122.000 119.846 2.154 2
1 820 . 1 1 A 94 94 HIS H H 94 8.570 8.406 0.164 2
1 821 . 1 1 A 94 94 HIS HA H 94 4.630 4.928 -0.298 2
1 826 . 1 1 A 94 94 HIS CA C 94 55.000 55.095 -0.095 2
1 827 . 1 1 A 94 94 HIS CB C 94 28.900 31.200 -2.300 2
1 830 . 1 1 A 94 94 HIS N N 94 119.700 121.408 -1.708 2
1 831 . 1 1 A 95 95 HIS H H 95 8.610 8.775 -0.165 2
1 832 . 1 1 A 95 95 HIS HA H 95 4.650 4.550 0.100 2
1 837 . 1 1 A 95 95 HIS CA C 95 55.200 56.255 -1.055 2
1 838 . 1 1 A 95 95 HIS CB C 95 28.900 30.677 -1.776 2
1 841 . 1 1 A 95 95 HIS N N 95 119.300 120.462 -1.162 2
1 842 . 1 1 A 96 96 HIS H H 96 8.680 8.491 0.189 2
1 843 . 1 1 A 96 96 HIS HA H 96 4.660 4.490 0.170 2
1 848 . 1 1 A 96 96 HIS CA C 96 55.200 56.551 -1.351 2
1 849 . 1 1 A 96 96 HIS CB C 96 29.100 29.914 -0.814 2
1 852 . 1 1 A 96 96 HIS N N 96 120.100 119.178 0.922 2
1 853 . 1 1 A 97 97 HIS H H 97 8.580 8.524 0.056 2
1 854 . 1 1 A 97 97 HIS HA H 97 4.660 4.644 0.016 2
1 859 . 1 1 A 97 97 HIS CA C 97 55.400 56.243 -0.844 2
1 860 . 1 1 A 97 97 HIS CB C 97 29.200 30.372 -1.173 2
1 863 . 1 1 A 97 97 HIS N N 97 120.400 121.507 -1.107 2
1 864 . 1 1 A 98 98 HIS H H 98 8.390 8.269 0.121 2
1 865 . 1 1 A 98 98 HIS HA H 98 4.620 4.745 -0.125 2
1 870 . 1 1 A 98 98 HIS CA C 98 55.500 55.688 -0.188 2
1 871 . 1 1 A 98 98 HIS CB C 98 29.100 31.192 -2.092 2
stop_
save_