data_16179_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16179
_Entry.PDB_ID 2KFF
_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 10
_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 6 6 ASP HA H 40 4.430 4.771 -0.341 1
1 2 . 1 1 1 A 7 7 ASP H H 41 8.479 8.974 -0.495 1
1 3 . 1 1 1 A 7 7 ASP HA H 41 4.640 5.060 -0.420 1
1 6 . 1 1 1 A 7 7 ASP CA C 41 52.900 52.664 0.236 1
1 7 . 1 1 1 A 7 7 ASP CB C 41 39.760 41.040 -1.280 1
1 8 . 1 1 1 A 7 7 ASP N N 41 124.447 126.823 -2.376 1
1 9 . 1 1 1 A 8 8 VAL H H 42 7.916 8.687 -0.771 1
1 10 . 1 1 1 A 8 8 VAL HA H 42 4.142 4.794 -0.652 1
1 18 . 1 1 1 A 8 8 VAL CA C 42 60.460 60.515 -0.055 1
1 19 . 1 1 1 A 8 8 VAL CB C 42 31.579 33.810 -2.231 1
1 22 . 1 1 1 A 8 8 VAL N N 42 120.853 125.173 -4.320 1
1 23 . 1 1 1 A 9 9 GLU H H 43 8.476 9.250 -0.774 1
1 24 . 1 1 1 A 9 9 GLU HA H 43 4.290 5.123 -0.833 1
1 29 . 1 1 1 A 9 9 GLU CA C 43 55.300 54.758 0.542 1
1 30 . 1 1 1 A 9 9 GLU CB C 43 29.120 31.564 -2.444 1
1 32 . 1 1 1 A 9 9 GLU N N 43 127.650 126.183 1.467 1
1 33 . 1 1 1 A 10 10 TRP H H 44 8.839 8.903 -0.064 1
1 34 . 1 1 1 A 10 10 TRP HA H 44 5.230 4.788 0.442 1
1 43 . 1 1 1 A 10 10 TRP CA C 44 54.430 56.820 -2.390 1
1 44 . 1 1 1 A 10 10 TRP CB C 44 27.230 30.151 -2.921 1
1 50 . 1 1 1 A 10 10 TRP N N 44 126.378 127.814 -1.436 1
1 51 . 1 1 1 A 11 11 VAL H H 45 9.230 7.993 1.237 1
1 52 . 1 1 1 A 11 11 VAL HA H 45 3.891 3.571 0.320 1
1 60 . 1 1 1 A 11 11 VAL CA C 45 63.500 66.201 -2.701 1
1 61 . 1 1 1 A 11 11 VAL CB C 45 30.420 31.611 -1.191 1
1 64 . 1 1 1 A 11 11 VAL N N 45 131.353 126.381 4.972 1
1 65 . 1 1 1 A 12 12 VAL H H 46 5.020 7.055 -2.035 1
1 66 . 1 1 1 A 12 12 VAL HA H 46 3.040 3.265 -0.225 1
1 74 . 1 1 1 A 12 12 VAL CA C 46 60.690 65.663 -4.973 1
1 75 . 1 1 1 A 12 12 VAL CB C 46 29.280 30.489 -1.209 1
1 78 . 1 1 1 A 13 13 GLY H H 47 7.330 8.051 -0.721 1
1 79 . 1 1 1 A 13 13 GLY HA2 H 47 3.590 3.842 -0.252 1
1 80 . 1 1 1 A 13 13 GLY HA3 H 47 4.180 3.947 0.233 1
1 81 . 1 1 1 A 13 13 GLY CA C 47 46.400 46.464 -0.064 1
1 82 . 1 1 1 A 14 14 LYS H H 48 7.570 7.450 0.120 1
1 83 . 1 1 1 A 14 14 LYS HA H 48 4.066 4.244 -0.178 1
1 92 . 1 1 1 A 14 14 LYS CA C 48 57.337 58.180 -0.843 1
1 93 . 1 1 1 A 14 14 LYS CB C 48 30.490 33.219 -2.729 1
1 97 . 1 1 1 A 14 14 LYS N N 48 121.084 116.715 4.369 1
1 98 . 1 1 1 A 15 15 ASP H H 49 7.309 7.618 -0.309 1
1 99 . 1 1 1 A 15 15 ASP HA H 49 4.770 4.785 -0.015 1
1 102 . 1 1 1 A 15 15 ASP CA C 49 52.880 52.422 0.458 1
1 103 . 1 1 1 A 15 15 ASP CB C 49 41.910 41.663 0.247 1
1 104 . 1 1 1 A 15 15 ASP N N 49 118.181 119.385 -1.204 1
1 105 . 1 1 1 A 16 16 LYS H H 50 7.506 7.587 -0.081 1
1 106 . 1 1 1 A 16 16 LYS HA H 50 4.059 3.937 0.122 1
1 115 . 1 1 1 A 16 16 LYS CA C 50 60.180 61.256 -1.076 1
1 116 . 1 1 1 A 16 16 LYS CB C 50 30.193 30.827 -0.634 1
1 120 . 1 1 1 A 16 16 LYS N N 50 123.633 121.409 2.224 1
1 121 . 1 1 1 A 17 17 PRO HA H 51 4.430 4.394 0.036 1
1 128 . 1 1 1 A 17 17 PRO CA C 51 65.660 65.453 0.207 1
1 129 . 1 1 1 A 17 17 PRO CB C 51 29.600 30.986 -1.386 1
1 132 . 1 1 1 A 18 18 THR H H 52 7.285 7.454 -0.169 1
1 133 . 1 1 1 A 18 18 THR HA H 52 3.977 4.053 -0.076 1
1 138 . 1 1 1 A 18 18 THR CA C 52 64.330 65.182 -0.852 1
1 139 . 1 1 1 A 18 18 THR CB C 52 67.170 68.190 -1.020 1
1 141 . 1 1 1 A 18 18 THR N N 52 115.095 111.948 3.147 1
1 142 . 1 1 1 A 19 19 TYR H H 53 7.083 7.412 -0.329 1
1 143 . 1 1 1 A 19 19 TYR HA H 53 4.728 4.392 0.336 1
1 150 . 1 1 1 A 19 19 TYR CA C 53 57.110 62.034 -4.924 1
1 151 . 1 1 1 A 19 19 TYR CB C 53 35.130 37.108 -1.978 1
1 156 . 1 1 1 A 19 19 TYR N N 53 125.380 119.704 5.676 1
1 157 . 1 1 1 A 20 20 ASP H H 54 9.596 8.790 0.806 1
1 158 . 1 1 1 A 20 20 ASP HA H 54 4.512 4.460 0.052 1
1 161 . 1 1 1 A 20 20 ASP CA C 54 55.515 57.763 -2.248 1
1 162 . 1 1 1 A 20 20 ASP CB C 54 38.740 41.398 -2.658 1
1 163 . 1 1 1 A 20 20 ASP N N 54 124.548 121.946 2.602 1
1 164 . 1 1 1 A 21 21 GLU H H 55 7.309 8.275 -0.966 1
1 165 . 1 1 1 A 21 21 GLU HA H 55 4.150 4.307 -0.157 1
1 170 . 1 1 1 A 21 21 GLU CA C 55 58.100 59.306 -1.206 1
1 171 . 1 1 1 A 21 21 GLU CB C 55 28.500 29.698 -1.198 1
1 173 . 1 1 1 A 21 21 GLU N N 55 118.181 119.418 -1.237 1
1 174 . 1 1 1 A 22 22 ILE H H 56 7.249 7.999 -0.750 1
1 175 . 1 1 1 A 22 22 ILE HA H 56 3.946 3.986 -0.040 1
1 185 . 1 1 1 A 22 22 ILE CA C 56 62.300 64.482 -2.182 1
1 186 . 1 1 1 A 22 22 ILE CB C 56 37.597 37.102 0.495 1
1 190 . 1 1 1 A 22 22 ILE N N 56 118.978 120.836 -1.858 1
1 191 . 1 1 1 A 23 23 PHE H H 57 9.117 8.339 0.778 1
1 192 . 1 1 1 A 23 23 PHE HA H 57 3.094 3.708 -0.614 1
1 200 . 1 1 1 A 23 23 PHE CA C 57 61.330 61.571 -0.241 1
1 201 . 1 1 1 A 23 23 PHE CB C 57 38.250 38.844 -0.594 1
1 207 . 1 1 1 A 23 23 PHE N N 57 127.639 122.165 5.474 1
1 208 . 1 1 1 A 24 24 TYR H H 58 7.922 7.999 -0.077 1
1 209 . 1 1 1 A 24 24 TYR HA H 58 4.000 4.249 -0.249 1
1 216 . 1 1 1 A 24 24 TYR CA C 58 60.480 61.092 -0.612 1
1 217 . 1 1 1 A 24 24 TYR CB C 58 36.086 38.251 -2.165 1
1 222 . 1 1 1 A 24 24 TYR N N 58 112.757 115.941 -3.184 1
1 223 . 1 1 1 A 25 25 THR H H 59 8.087 7.681 0.406 1
1 224 . 1 1 1 A 25 25 THR HA H 59 4.650 4.348 0.302 1
1 230 . 1 1 1 A 25 25 THR CA C 59 61.770 63.960 -2.190 1
1 231 . 1 1 1 A 25 25 THR CB C 59 68.900 69.122 -0.222 1
1 233 . 1 1 1 A 25 25 THR N N 59 112.676 113.109 -0.433 1
1 234 . 1 1 1 A 26 26 LEU H H 60 7.381 7.020 0.361 1
1 235 . 1 1 1 A 26 26 LEU HA H 60 4.470 4.334 0.136 1
1 245 . 1 1 1 A 26 26 LEU CA C 60 52.500 54.101 -1.601 1
1 246 . 1 1 1 A 26 26 LEU CB C 60 38.700 41.919 -3.219 1
1 250 . 1 1 1 A 26 26 LEU N N 60 125.808 120.671 5.137 1
1 251 . 1 1 1 A 27 27 SER H H 61 7.870 7.598 0.272 1
1 252 . 1 1 1 A 27 27 SER HA H 61 3.980 4.057 -0.077 1
1 255 . 1 1 1 A 27 27 SER CA C 61 56.300 58.975 -2.675 1
1 256 . 1 1 1 A 27 27 SER CB C 61 60.230 61.596 -1.366 1
1 257 . 1 1 1 A 27 27 SER N N 61 111.582 113.992 -2.410 1
1 258 . 1 1 1 A 28 28 PRO HA H 62 4.200 4.799 -0.599 1
1 265 . 1 1 1 A 28 28 PRO CA C 62 61.600 62.201 -0.601 1
1 266 . 1 1 1 A 28 28 PRO CB C 62 29.890 31.375 -1.485 1
1 269 . 1 1 1 A 29 29 VAL H H 63 8.744 7.966 0.778 1
1 270 . 1 1 1 A 29 29 VAL HA H 63 4.180 4.238 -0.058 1
1 278 . 1 1 1 A 29 29 VAL CA C 63 60.660 60.864 -0.204 1
1 279 . 1 1 1 A 29 29 VAL CB C 63 32.878 32.766 0.112 1
1 282 . 1 1 1 A 29 29 VAL N N 63 124.299 118.508 5.791 1
1 283 . 1 1 1 A 30 30 ASN H H 64 9.713 9.101 0.612 1
1 284 . 1 1 1 A 30 30 ASN HA H 64 4.420 4.533 -0.113 1
1 289 . 1 1 1 A 30 30 ASN CA C 64 52.940 54.027 -1.087 1
1 290 . 1 1 1 A 30 30 ASN CB C 64 36.300 36.196 0.104 1
1 291 . 1 1 1 A 30 30 ASN N N 64 129.729 123.337 6.392 1
1 293 . 1 1 1 A 31 31 GLY H H 65 8.867 8.545 0.322 1
1 294 . 1 1 1 A 31 31 GLY HA2 H 65 3.760 3.920 -0.160 1
1 295 . 1 1 1 A 31 31 GLY HA3 H 65 4.260 3.953 0.307 1
1 296 . 1 1 1 A 31 31 GLY CA C 65 44.260 45.649 -1.389 1
1 297 . 1 1 1 A 31 31 GLY N N 65 130.590 108.817 21.773 1
1 298 . 1 1 1 A 32 32 LYS H H 66 7.501 8.241 -0.740 1
1 299 . 1 1 1 A 32 32 LYS HA H 66 5.410 5.411 -0.001 1
1 308 . 1 1 1 A 32 32 LYS CA C 66 53.780 54.475 -0.695 1
1 309 . 1 1 1 A 32 32 LYS CB C 66 36.540 36.398 0.142 1
1 313 . 1 1 1 A 32 32 LYS N N 66 118.738 119.476 -0.738 1
1 314 . 1 1 1 A 33 33 ILE H H 67 9.216 8.805 0.411 1
1 315 . 1 1 1 A 33 33 ILE HA H 67 5.008 4.820 0.188 1
1 325 . 1 1 1 A 33 33 ILE CA C 67 57.470 59.087 -1.617 1
1 326 . 1 1 1 A 33 33 ILE CB C 67 39.700 41.182 -1.482 1
1 330 . 1 1 1 A 33 33 ILE N N 67 118.166 118.660 -0.494 1
1 331 . 1 1 1 A 34 34 THR H H 68 8.255 8.763 -0.508 1
1 332 . 1 1 1 A 34 34 THR HA H 68 4.548 4.723 -0.175 1
1 338 . 1 1 1 A 34 34 THR CA C 68 58.970 60.506 -1.536 1
1 339 . 1 1 1 A 34 34 THR CB C 68 69.762 71.374 -1.612 1
1 341 . 1 1 1 A 34 34 THR N N 68 111.971 114.165 -2.194 1
1 342 . 1 1 1 A 35 35 GLY H H 69 8.940 8.862 0.078 1
1 343 . 1 1 1 A 35 35 GLY HA2 H 69 3.630 3.681 -0.051 1
1 344 . 1 1 1 A 35 35 GLY HA3 H 69 3.900 3.805 0.095 1
1 345 . 1 1 1 A 35 35 GLY CA C 69 46.900 47.352 -0.452 1
1 346 . 1 1 1 A 35 35 GLY N N 69 110.161 109.213 0.948 1
1 347 . 1 1 1 A 36 36 ALA H H 70 8.265 8.009 0.256 1
1 348 . 1 1 1 A 36 36 ALA HA H 70 3.870 3.990 -0.120 1
1 352 . 1 1 1 A 36 36 ALA CA C 70 53.700 54.568 -0.868 1
1 353 . 1 1 1 A 36 36 ALA CB C 70 17.080 18.786 -1.706 1
1 354 . 1 1 1 A 36 36 ALA N N 70 123.384 124.760 -1.376 1
1 355 . 1 1 1 A 37 37 ASN H H 71 7.574 7.917 -0.343 1
1 356 . 1 1 1 A 37 37 ASN HA H 71 4.690 4.532 0.158 1
1 361 . 1 1 1 A 37 37 ASN CA C 71 54.000 55.737 -1.737 1
1 362 . 1 1 1 A 37 37 ASN CB C 71 36.300 38.368 -2.068 1
1 363 . 1 1 1 A 37 37 ASN N N 71 118.852 117.224 1.628 1
1 365 . 1 1 1 A 38 38 ALA H H 72 8.853 7.676 1.177 1
1 366 . 1 1 1 A 38 38 ALA HA H 72 4.108 4.289 -0.181 1
1 370 . 1 1 1 A 38 38 ALA CA C 72 54.450 54.859 -0.409 1
1 371 . 1 1 1 A 38 38 ALA CB C 72 17.970 18.568 -0.598 1
1 372 . 1 1 1 A 38 38 ALA N N 72 123.903 122.546 1.357 1
1 373 . 1 1 1 A 39 39 LYS H H 73 8.837 7.981 0.856 1
1 374 . 1 1 1 A 39 39 LYS HA H 73 3.970 4.025 -0.055 1
1 383 . 1 1 1 A 39 39 LYS CA C 73 59.130 59.611 -0.481 1
1 384 . 1 1 1 A 39 39 LYS CB C 73 30.880 32.093 -1.213 1
1 388 . 1 1 1 A 39 39 LYS N N 73 120.578 118.448 2.130 1
1 389 . 1 1 1 A 40 40 LYS H H 74 7.209 8.059 -0.850 1
1 390 . 1 1 1 A 40 40 LYS HA H 74 3.988 4.060 -0.072 1
1 399 . 1 1 1 A 40 40 LYS CA C 74 58.130 59.211 -1.081 1
1 400 . 1 1 1 A 40 40 LYS CB C 74 30.900 32.088 -1.188 1
1 404 . 1 1 1 A 40 40 LYS N N 74 117.823 118.096 -0.273 1
1 405 . 1 1 1 A 41 41 GLU H H 75 7.089 8.033 -0.944 1
1 406 . 1 1 1 A 41 41 GLU HA H 75 4.450 4.135 0.315 1
1 411 . 1 1 1 A 41 41 GLU CA C 75 56.160 59.417 -3.257 1
1 412 . 1 1 1 A 41 41 GLU CB C 75 28.900 29.471 -0.571 1
1 414 . 1 1 1 A 41 41 GLU N N 75 117.306 119.521 -2.215 1
1 415 . 1 1 1 A 42 42 MET H H 76 8.854 8.441 0.413 1
1 416 . 1 1 1 A 42 42 MET HA H 76 4.010 4.275 -0.265 1
1 424 . 1 1 1 A 42 42 MET CA C 76 58.600 58.298 0.302 1
1 425 . 1 1 1 A 42 42 MET CB C 76 33.770 31.210 2.560 1
1 428 . 1 1 1 A 42 42 MET N N 76 121.769 118.803 2.966 1
1 429 . 1 1 1 A 43 43 VAL H H 77 8.799 8.283 0.516 1
1 430 . 1 1 1 A 43 43 VAL HA H 77 4.110 3.557 0.553 1
1 438 . 1 1 1 A 43 43 VAL CA C 77 63.490 67.222 -3.732 1
1 439 . 1 1 1 A 43 43 VAL CB C 77 30.470 31.634 -1.164 1
1 442 . 1 1 1 A 43 43 VAL N N 77 116.182 121.343 -5.161 1
1 443 . 1 1 1 A 44 44 LYS H H 78 7.498 7.843 -0.345 1
1 444 . 1 1 1 A 44 44 LYS HA H 78 4.130 4.269 -0.139 1
1 453 . 1 1 1 A 44 44 LYS CA C 78 57.670 57.684 -0.014 1
1 454 . 1 1 1 A 44 44 LYS CB C 78 30.990 32.806 -1.816 1
1 458 . 1 1 1 A 44 44 LYS N N 78 124.581 119.852 4.729 1
1 459 . 1 1 1 A 45 45 SER H H 79 7.508 7.419 0.089 1
1 460 . 1 1 1 A 45 45 SER HA H 79 4.068 4.338 -0.270 1
1 463 . 1 1 1 A 45 45 SER CA C 79 59.440 59.529 -0.089 1
1 464 . 1 1 1 A 45 45 SER CB C 79 64.580 64.326 0.254 1
1 465 . 1 1 1 A 45 45 SER N N 79 114.450 113.249 1.201 1
1 466 . 1 1 1 A 46 46 LYS H H 80 7.802 8.050 -0.248 1
1 467 . 1 1 1 A 46 46 LYS HA H 80 3.920 3.931 -0.011 1
1 476 . 1 1 1 A 46 46 LYS CA C 80 56.810 57.603 -0.793 1
1 477 . 1 1 1 A 46 46 LYS CB C 80 27.840 31.209 -3.369 1
1 481 . 1 1 1 A 46 46 LYS N N 80 114.720 120.577 -5.857 1
1 482 . 1 1 1 A 47 47 LEU H H 81 7.468 7.437 0.031 1
1 483 . 1 1 1 A 47 47 LEU HA H 81 4.480 4.532 -0.052 1
1 493 . 1 1 1 A 47 47 LEU CA C 81 52.000 52.479 -0.479 1
1 494 . 1 1 1 A 47 47 LEU CB C 81 40.400 41.339 -0.939 1
1 498 . 1 1 1 A 47 47 LEU N N 81 122.848 120.703 2.145 1
1 499 . 1 1 1 A 48 48 PRO HA H 82 4.510 4.566 -0.056 1
1 506 . 1 1 1 A 48 48 PRO CA C 82 60.910 62.837 -1.927 1
1 507 . 1 1 1 A 48 48 PRO CB C 82 31.550 32.739 -1.189 1
1 510 . 1 1 1 A 49 49 ASN H H 83 7.580 9.028 -1.448 1
1 511 . 1 1 1 A 49 49 ASN HA H 83 4.220 4.452 -0.232 1
1 516 . 1 1 1 A 49 49 ASN CA C 83 56.000 56.142 -0.142 1
1 517 . 1 1 1 A 49 49 ASN CB C 83 36.900 38.585 -1.685 1
1 519 . 1 1 1 A 50 50 THR H H 84 7.270 8.113 -0.843 1
1 520 . 1 1 1 A 50 50 THR HA H 84 4.000 3.965 0.035 1
1 525 . 1 1 1 A 50 50 THR CA C 84 63.474 67.092 -3.618 1
1 526 . 1 1 1 A 50 50 THR CB C 84 66.950 68.359 -1.409 1
1 528 . 1 1 1 A 51 51 VAL H H 85 6.827 8.233 -1.406 1
1 529 . 1 1 1 A 51 51 VAL HA H 85 3.620 3.826 -0.206 1
1 537 . 1 1 1 A 51 51 VAL CA C 85 64.100 67.395 -3.295 1
1 538 . 1 1 1 A 51 51 VAL CB C 85 30.500 31.732 -1.232 1
1 541 . 1 1 1 A 51 51 VAL N N 85 124.677 122.593 2.084 1
1 542 . 1 1 1 A 52 52 LEU H H 86 7.912 8.270 -0.358 1
1 543 . 1 1 1 A 52 52 LEU HA H 86 3.560 4.043 -0.483 1
1 553 . 1 1 1 A 52 52 LEU CA C 86 56.600 58.521 -1.921 1
1 554 . 1 1 1 A 52 52 LEU CB C 86 38.090 41.831 -3.741 1
1 558 . 1 1 1 A 52 52 LEU N N 86 121.680 119.871 1.809 1
1 559 . 1 1 1 A 53 53 GLY H H 87 8.429 8.140 0.289 1
1 560 . 1 1 1 A 53 53 GLY HA2 H 87 3.940 3.716 0.224 1
1 561 . 1 1 1 A 53 53 GLY HA3 H 87 4.130 3.741 0.389 1
1 562 . 1 1 1 A 53 53 GLY CA C 87 46.200 47.306 -1.106 1
1 563 . 1 1 1 A 53 53 GLY N N 87 107.113 105.618 1.495 1
1 564 . 1 1 1 A 54 54 LYS H H 88 7.260 7.965 -0.705 1
1 565 . 1 1 1 A 54 54 LYS HA H 88 4.150 4.176 -0.026 1
1 574 . 1 1 1 A 54 54 LYS CA C 88 57.890 58.728 -0.838 1
1 575 . 1 1 1 A 54 54 LYS CB C 88 31.000 32.238 -1.238 1
1 579 . 1 1 1 A 54 54 LYS N N 88 124.980 121.272 3.708 1
1 580 . 1 1 1 A 55 55 ILE H H 89 8.019 8.443 -0.424 1
1 581 . 1 1 1 A 55 55 ILE HA H 89 3.476 3.640 -0.164 1
1 591 . 1 1 1 A 55 55 ILE CA C 89 65.360 65.327 0.033 1
1 592 . 1 1 1 A 55 55 ILE CB C 89 36.300 37.793 -1.493 1
1 596 . 1 1 1 A 55 55 ILE N N 89 122.812 119.539 3.273 1
1 597 . 1 1 1 A 56 56 TRP H H 90 8.911 8.365 0.546 1
1 598 . 1 1 1 A 56 56 TRP HA H 90 3.810 4.203 -0.393 1
1 607 . 1 1 1 A 56 56 TRP CA C 90 60.260 60.365 -0.105 1
1 608 . 1 1 1 A 56 56 TRP CB C 90 27.000 29.969 -2.969 1
1 614 . 1 1 1 A 56 56 TRP N N 90 121.947 121.779 0.168 1
1 616 . 1 1 1 A 57 57 LYS H H 91 7.577 8.145 -0.568 1
1 617 . 1 1 1 A 57 57 LYS HA H 91 4.010 4.174 -0.164 1
1 626 . 1 1 1 A 57 57 LYS CA C 91 57.890 58.957 -1.067 1
1 627 . 1 1 1 A 57 57 LYS CB C 91 31.300 32.088 -0.788 1
1 631 . 1 1 1 A 57 57 LYS N N 91 117.344 119.677 -2.333 1
1 632 . 1 1 1 A 58 58 LEU H H 92 7.571 7.447 0.124 1
1 633 . 1 1 1 A 58 58 LEU HA H 92 3.995 4.233 -0.238 1
1 643 . 1 1 1 A 58 58 LEU CA C 92 55.780 56.858 -1.078 1
1 644 . 1 1 1 A 58 58 LEU CB C 92 42.270 41.643 0.627 1
1 648 . 1 1 1 A 58 58 LEU N N 92 119.520 119.270 0.250 1
1 649 . 1 1 1 A 59 59 ALA H H 93 8.135 7.867 0.268 1
1 650 . 1 1 1 A 59 59 ALA HA H 93 4.150 4.076 0.074 1
1 654 . 1 1 1 A 59 59 ALA CA C 93 52.400 54.949 -2.549 1
1 655 . 1 1 1 A 59 59 ALA CB C 93 17.700 18.366 -0.666 1
1 656 . 1 1 1 A 59 59 ALA N N 93 120.351 121.174 -0.823 1
1 657 . 1 1 1 A 60 60 ASP H H 94 7.733 7.503 0.230 1
1 658 . 1 1 1 A 60 60 ASP HA H 94 4.560 4.732 -0.172 1
1 661 . 1 1 1 A 60 60 ASP CA C 94 50.550 52.889 -2.339 1
1 662 . 1 1 1 A 60 60 ASP CB C 94 35.220 38.922 -3.702 1
1 663 . 1 1 1 A 60 60 ASP N N 94 115.750 116.925 -1.175 1
1 664 . 1 1 1 A 61 61 VAL H H 95 8.358 7.841 0.517 1
1 665 . 1 1 1 A 61 61 VAL HA H 95 3.500 3.799 -0.299 1
1 673 . 1 1 1 A 61 61 VAL CA C 95 64.360 66.204 -1.844 1
1 674 . 1 1 1 A 61 61 VAL CB C 95 31.330 31.385 -0.055 1
1 677 . 1 1 1 A 61 61 VAL N N 95 129.465 123.953 5.512 1
1 678 . 1 1 1 A 62 62 ASP H H 96 7.910 7.810 0.100 1
1 679 . 1 1 1 A 62 62 ASP HA H 96 4.530 4.613 -0.083 1
1 682 . 1 1 1 A 62 62 ASP CA C 96 51.630 55.942 -4.312 1
1 683 . 1 1 1 A 62 62 ASP CB C 96 38.300 41.456 -3.156 1
1 684 . 1 1 1 A 62 62 ASP N N 96 115.789 120.633 -4.844 1
1 685 . 1 1 1 A 63 63 LYS H H 97 7.590 7.464 0.126 1
1 686 . 1 1 1 A 63 63 LYS HA H 97 3.850 4.168 -0.318 1
1 695 . 1 1 1 A 63 63 LYS CA C 97 56.450 57.324 -0.874 1
1 696 . 1 1 1 A 63 63 LYS CB C 97 28.000 29.067 -1.067 1
1 700 . 1 1 1 A 63 63 LYS N N 97 115.885 117.405 -1.520 1
1 701 . 1 1 1 A 64 64 ASP H H 98 8.379 8.010 0.369 1
1 702 . 1 1 1 A 64 64 ASP HA H 98 4.707 4.728 -0.021 1
1 705 . 1 1 1 A 64 64 ASP CA C 98 52.060 52.908 -0.848 1
1 706 . 1 1 1 A 64 64 ASP CB C 98 39.500 40.804 -1.304 1
1 707 . 1 1 1 A 64 64 ASP N N 98 119.948 117.995 1.953 1
1 708 . 1 1 1 A 65 65 GLY H H 99 10.740 8.607 2.133 1
1 709 . 1 1 1 A 65 65 GLY HA2 H 99 3.990 4.021 -0.031 1
1 710 . 1 1 1 A 65 65 GLY HA3 H 99 4.360 4.159 0.201 1
1 711 . 1 1 1 A 65 65 GLY CA C 99 45.160 45.919 -0.759 1
1 712 . 1 1 1 A 65 65 GLY N N 99 115.529 110.997 4.532 1
1 713 . 1 1 1 A 66 66 LEU H H 100 8.197 7.928 0.269 1
1 714 . 1 1 1 A 66 66 LEU HA H 100 5.180 5.117 0.063 1
1 724 . 1 1 1 A 66 66 LEU CA C 100 52.200 52.954 -0.754 1
1 725 . 1 1 1 A 66 66 LEU CB C 100 44.290 44.775 -0.485 1
1 729 . 1 1 1 A 66 66 LEU N N 100 123.347 122.467 0.880 1
1 730 . 1 1 1 A 67 67 LEU H H 101 8.697 9.043 -0.346 1
1 731 . 1 1 1 A 67 67 LEU HA H 101 5.796 4.979 0.817 1
1 741 . 1 1 1 A 67 67 LEU CA C 101 51.600 53.730 -2.130 1
1 742 . 1 1 1 A 67 67 LEU CB C 101 42.100 43.097 -0.997 1
1 746 . 1 1 1 A 67 67 LEU N N 101 121.209 122.524 -1.315 1
1 747 . 1 1 1 A 68 68 ASP H H 102 9.241 8.571 0.670 1
1 748 . 1 1 1 A 68 68 ASP HA H 102 5.620 4.732 0.888 1
1 751 . 1 1 1 A 68 68 ASP CA C 102 50.980 54.060 -3.080 1
1 752 . 1 1 1 A 68 68 ASP CB C 102 39.750 41.846 -2.096 1
1 753 . 1 1 1 A 68 68 ASP N N 102 124.386 125.201 -0.815 1
1 754 . 1 1 1 A 69 69 ASP H H 103 8.523 8.647 -0.124 1
1 755 . 1 1 1 A 69 69 ASP HA H 103 2.830 3.194 -0.364 1
1 758 . 1 1 1 A 69 69 ASP CA C 103 56.160 56.047 0.113 1
1 759 . 1 1 1 A 69 69 ASP CB C 103 37.160 39.370 -2.210 1
1 760 . 1 1 1 A 69 69 ASP N N 103 117.349 120.874 -3.525 1
1 761 . 1 1 1 A 70 70 GLU H H 104 8.003 7.933 0.070 1
1 762 . 1 1 1 A 70 70 GLU HA H 104 4.075 4.226 -0.151 1
1 767 . 1 1 1 A 70 70 GLU CA C 104 58.950 59.485 -0.535 1
1 768 . 1 1 1 A 70 70 GLU CB C 104 29.134 29.274 -0.140 1
1 770 . 1 1 1 A 70 70 GLU N N 104 124.806 120.383 4.423 1
1 771 . 1 1 1 A 71 71 GLU H H 105 8.758 8.132 0.626 1
1 772 . 1 1 1 A 71 71 GLU HA H 105 4.030 4.112 -0.082 1
1 777 . 1 1 1 A 71 71 GLU CA C 105 58.570 58.922 -0.352 1
1 778 . 1 1 1 A 71 71 GLU CB C 105 30.270 29.476 0.794 1
1 780 . 1 1 1 A 71 71 GLU N N 105 123.541 119.496 4.045 1
1 781 . 1 1 1 A 72 72 PHE H H 106 9.416 8.592 0.824 1
1 782 . 1 1 1 A 72 72 PHE HA H 106 4.230 4.135 0.095 1
1 790 . 1 1 1 A 72 72 PHE CA C 106 60.000 61.626 -1.626 1
1 791 . 1 1 1 A 72 72 PHE CB C 106 38.440 39.089 -0.649 1
1 797 . 1 1 1 A 72 72 PHE N N 106 120.706 121.946 -1.240 1
1 798 . 1 1 1 A 73 73 ALA H H 107 8.085 8.194 -0.109 1
1 799 . 1 1 1 A 73 73 ALA HA H 107 3.778 4.051 -0.273 1
1 803 . 1 1 1 A 73 73 ALA CA C 107 54.010 55.108 -1.098 1
1 804 . 1 1 1 A 73 73 ALA CB C 107 16.691 17.834 -1.143 1
1 805 . 1 1 1 A 73 73 ALA N N 107 126.845 121.309 5.536 1
1 806 . 1 1 1 A 74 74 LEU H H 108 8.443 8.011 0.432 1
1 807 . 1 1 1 A 74 74 LEU HA H 108 4.048 3.975 0.073 1
1 817 . 1 1 1 A 74 74 LEU CA C 108 56.811 57.956 -1.145 1
1 818 . 1 1 1 A 74 74 LEU CB C 108 41.090 41.420 -0.330 1
1 822 . 1 1 1 A 74 74 LEU N N 108 121.249 120.931 0.318 1
1 823 . 1 1 1 A 75 75 ALA H H 109 8.677 8.238 0.439 1
1 824 . 1 1 1 A 75 75 ALA HA H 109 3.648 4.014 -0.366 1
1 828 . 1 1 1 A 75 75 ALA CA C 109 54.220 55.338 -1.118 1
1 829 . 1 1 1 A 75 75 ALA CB C 109 15.367 18.165 -2.798 1
1 830 . 1 1 1 A 75 75 ALA N N 109 122.981 120.860 2.121 1
1 831 . 1 1 1 A 76 76 ASN H H 110 7.270 7.969 -0.699 1
1 832 . 1 1 1 A 76 76 ASN HA H 110 3.800 4.201 -0.401 1
1 837 . 1 1 1 A 76 76 ASN CA C 110 55.500 55.717 -0.217 1
1 838 . 1 1 1 A 76 76 ASN CB C 110 36.610 37.419 -0.809 1
1 839 . 1 1 1 A 76 76 ASN N N 110 115.791 115.939 -0.148 1
1 841 . 1 1 1 A 77 77 HIS H H 111 8.363 7.604 0.759 1
1 842 . 1 1 1 A 77 77 HIS HA H 111 4.092 3.928 0.164 1
1 847 . 1 1 1 A 77 77 HIS CA C 111 59.180 59.577 -0.397 1
1 848 . 1 1 1 A 77 77 HIS CB C 111 30.420 30.174 0.246 1
1 851 . 1 1 1 A 77 77 HIS N N 111 124.686 120.640 4.046 1
1 852 . 1 1 1 A 78 78 LEU H H 112 8.278 8.088 0.190 1
1 853 . 1 1 1 A 78 78 LEU HA H 112 3.820 3.780 0.040 1
1 863 . 1 1 1 A 78 78 LEU CA C 112 56.115 57.760 -1.645 1
1 864 . 1 1 1 A 78 78 LEU CB C 112 41.000 41.383 -0.383 1
1 868 . 1 1 1 A 78 78 LEU N N 112 119.085 119.618 -0.533 1
1 869 . 1 1 1 A 79 79 ILE H H 113 7.799 7.949 -0.150 1
1 870 . 1 1 1 A 79 79 ILE HA H 113 3.270 3.561 -0.291 1
1 880 . 1 1 1 A 79 79 ILE CA C 113 65.020 64.326 0.694 1
1 881 . 1 1 1 A 79 79 ILE CB C 113 36.730 36.743 -0.013 1
1 885 . 1 1 1 A 79 79 ILE N N 113 121.304 120.413 0.891 1
1 886 . 1 1 1 A 80 80 LYS H H 114 7.546 8.139 -0.593 1
1 887 . 1 1 1 A 80 80 LYS HA H 114 3.820 3.931 -0.111 1
1 896 . 1 1 1 A 80 80 LYS CA C 114 58.970 59.714 -0.744 1
1 897 . 1 1 1 A 80 80 LYS CB C 114 30.470 32.251 -1.781 1
1 901 . 1 1 1 A 80 80 LYS N N 114 122.150 122.019 0.131 1
1 902 . 1 1 1 A 81 81 VAL H H 115 8.110 7.582 0.528 1
1 903 . 1 1 1 A 81 81 VAL HA H 115 3.736 3.817 -0.081 1
1 911 . 1 1 1 A 81 81 VAL CA C 115 64.500 66.019 -1.519 1
1 912 . 1 1 1 A 81 81 VAL CB C 115 30.050 31.328 -1.278 1
1 915 . 1 1 1 A 81 81 VAL N N 115 118.999 118.843 0.156 1
1 916 . 1 1 1 A 82 82 LYS H H 116 7.853 7.666 0.187 1
1 917 . 1 1 1 A 82 82 LYS HA H 116 4.520 4.225 0.295 1
1 926 . 1 1 1 A 82 82 LYS CA C 116 56.000 59.780 -3.780 1
1 927 . 1 1 1 A 82 82 LYS CB C 116 30.340 32.612 -2.272 1
1 931 . 1 1 1 A 82 82 LYS N N 116 123.030 122.075 0.955 1
1 932 . 1 1 1 A 83 83 LEU H H 117 8.959 8.383 0.576 1
1 933 . 1 1 1 A 83 83 LEU HA H 117 4.080 3.986 0.094 1
1 943 . 1 1 1 A 83 83 LEU CA C 117 56.620 57.731 -1.111 1
1 944 . 1 1 1 A 83 83 LEU CB C 117 40.361 41.022 -0.661 1
1 948 . 1 1 1 A 83 83 LEU N N 117 125.378 120.250 5.128 1
1 949 . 1 1 1 A 84 84 GLU H H 118 7.817 7.908 -0.091 1
1 950 . 1 1 1 A 84 84 GLU HA H 118 4.156 4.387 -0.231 1
1 955 . 1 1 1 A 84 84 GLU CA C 118 55.100 56.457 -1.357 1
1 956 . 1 1 1 A 84 84 GLU CB C 118 28.600 29.966 -1.366 1
1 958 . 1 1 1 A 84 84 GLU N N 118 119.766 116.527 3.239 1
1 959 . 1 1 1 A 85 85 GLY H H 119 7.862 8.047 -0.185 1
1 960 . 1 1 1 A 85 85 GLY HA2 H 119 3.640 3.766 -0.126 1
1 961 . 1 1 1 A 85 85 GLY HA3 H 119 4.140 3.834 0.306 1
1 962 . 1 1 1 A 85 85 GLY CA C 119 43.690 46.138 -2.448 1
1 963 . 1 1 1 A 85 85 GLY N N 119 107.933 108.308 -0.375 1
1 964 . 1 1 1 A 86 86 HIS H H 120 7.714 7.868 -0.154 1
1 965 . 1 1 1 A 86 86 HIS HA H 120 4.670 5.063 -0.393 1
1 970 . 1 1 1 A 86 86 HIS CA C 120 53.780 54.604 -0.824 1
1 971 . 1 1 1 A 86 86 HIS CB C 120 29.390 34.067 -4.677 1
1 973 . 1 1 1 A 86 86 HIS N N 120 122.124 116.108 6.016 1
1 974 . 1 1 1 A 87 87 GLU H H 121 8.491 8.917 -0.426 1
1 975 . 1 1 1 A 87 87 GLU HA H 121 4.300 4.982 -0.682 1
1 980 . 1 1 1 A 87 87 GLU CA C 121 54.000 54.926 -0.926 1
1 981 . 1 1 1 A 87 87 GLU CB C 121 29.120 32.986 -3.866 1
1 983 . 1 1 1 A 87 87 GLU N N 121 121.826 119.866 1.960 1
1 984 . 1 1 1 A 88 88 LEU H H 122 8.659 8.917 -0.258 1
1 985 . 1 1 1 A 88 88 LEU HA H 122 4.417 4.958 -0.541 1
1 995 . 1 1 1 A 88 88 LEU CA C 122 50.777 52.255 -1.478 1
1 996 . 1 1 1 A 88 88 LEU CB C 122 39.986 42.727 -2.741 1
1 1000 . 1 1 1 A 88 88 LEU N N 122 125.316 120.620 4.696 1
1 1001 . 1 1 1 A 89 89 PRO HA H 123 4.570 4.368 0.202 1
1 1008 . 1 1 1 A 89 89 PRO CA C 123 60.690 63.970 -3.280 1
1 1009 . 1 1 1 A 89 89 PRO CB C 123 30.320 31.926 -1.606 1
1 1012 . 1 1 1 A 90 90 ALA H H 124 8.464 7.989 0.475 1
1 1013 . 1 1 1 A 90 90 ALA HA H 124 4.068 3.974 0.094 1
1 1017 . 1 1 1 A 90 90 ALA CA C 124 52.700 53.622 -0.922 1
1 1018 . 1 1 1 A 90 90 ALA CB C 124 17.760 17.964 -0.204 1
1 1019 . 1 1 1 A 90 90 ALA N N 124 123.603 120.301 3.302 1
1 1020 . 1 1 1 A 91 91 ASP H H 125 7.482 7.810 -0.328 1
1 1021 . 1 1 1 A 91 91 ASP HA H 125 4.630 5.164 -0.534 1
1 1024 . 1 1 1 A 91 91 ASP CA C 125 50.340 52.850 -2.510 1
1 1025 . 1 1 1 A 91 91 ASP CB C 125 42.620 44.708 -2.088 1
1 1026 . 1 1 1 A 91 91 ASP N N 125 115.317 116.303 -0.986 1
1 1027 . 1 1 1 A 92 92 LEU H H 126 8.883 9.123 -0.240 1
1 1028 . 1 1 1 A 92 92 LEU HA H 126 4.196 4.919 -0.723 1
1 1038 . 1 1 1 A 92 92 LEU CA C 126 51.930 51.556 0.374 1
1 1039 . 1 1 1 A 92 92 LEU CB C 126 41.032 42.736 -1.704 1
1 1043 . 1 1 1 A 92 92 LEU N N 126 125.329 123.434 1.895 1
1 1044 . 1 1 1 A 93 93 PRO HA H 127 4.860 4.665 0.195 1
1 1051 . 1 1 1 A 93 93 PRO CA C 127 59.820 61.579 -1.759 1
1 1052 . 1 1 1 A 93 93 PRO CB C 127 29.800 32.140 -2.340 1
1 1055 . 1 1 1 A 94 94 PRO HA H 128 4.220 4.272 -0.052 1
1 1062 . 1 1 1 A 94 94 PRO CA C 128 64.560 64.692 -0.132 1
1 1063 . 1 1 1 A 94 94 PRO CB C 128 30.900 31.833 -0.933 1
1 1066 . 1 1 1 A 95 95 HIS H H 129 7.922 7.934 -0.012 1
1 1067 . 1 1 1 A 95 95 HIS HA H 129 4.650 4.685 -0.035 1
1 1072 . 1 1 1 A 95 95 HIS CA C 129 56.810 55.804 1.006 1
1 1073 . 1 1 1 A 95 95 HIS CB C 129 28.100 30.504 -2.404 1
1 1076 . 1 1 1 A 95 95 HIS N N 129 112.757 114.555 -1.798 1
1 1077 . 1 1 1 A 96 96 LEU H H 130 7.717 7.691 0.026 1
1 1078 . 1 1 1 A 96 96 LEU HA H 130 4.646 4.341 0.305 1
1 1088 . 1 1 1 A 96 96 LEU CA C 130 52.920 55.781 -2.861 1
1 1089 . 1 1 1 A 96 96 LEU CB C 130 42.210 43.386 -1.176 1
1 1093 . 1 1 1 A 96 96 LEU N N 130 121.128 119.586 1.542 1
1 1094 . 1 1 1 A 97 97 VAL H H 131 7.173 7.449 -0.276 1
1 1095 . 1 1 1 A 97 97 VAL HA H 131 3.720 4.432 -0.712 1
1 1103 . 1 1 1 A 97 97 VAL CA C 131 60.520 60.405 0.115 1
1 1104 . 1 1 1 A 97 97 VAL CB C 131 31.310 32.769 -1.459 1
1 1107 . 1 1 1 A 97 97 VAL N N 131 125.460 120.383 5.077 1
1 1108 . 1 1 1 A 98 98 PRO HA H 132 2.720 3.635 -0.915 1
1 1115 . 1 1 1 A 98 98 PRO CA C 132 59.400 61.439 -2.039 1
1 1116 . 1 1 1 A 98 98 PRO CB C 132 30.250 31.588 -1.338 1
1 1119 . 1 1 1 A 99 99 PRO HA H 133 3.610 4.246 -0.636 1
1 1126 . 1 1 1 A 99 99 PRO CA C 133 64.760 64.287 0.473 1
1 1127 . 1 1 1 A 99 99 PRO CB C 133 30.770 31.595 -0.825 1
1 1130 . 1 1 1 A 100 100 SER H H 134 9.222 8.106 1.116 1
1 1131 . 1 1 1 A 100 100 SER HA H 134 4.140 4.303 -0.163 1
1 1134 . 1 1 1 A 100 100 SER CA C 134 59.660 59.773 -0.113 1
1 1135 . 1 1 1 A 100 100 SER CB C 134 61.320 62.763 -1.443 1
1 1136 . 1 1 1 A 100 100 SER N N 134 115.005 112.899 2.106 1
1 1137 . 1 1 1 A 101 101 LYS H H 135 7.867 7.482 0.385 1
1 1138 . 1 1 1 A 101 101 LYS HA H 135 4.470 4.399 0.071 1
1 1147 . 1 1 1 A 101 101 LYS CA C 135 52.490 55.406 -2.916 1
1 1148 . 1 1 1 A 101 101 LYS CB C 135 30.600 32.885 -2.285 1
1 1152 . 1 1 1 A 101 101 LYS N N 135 121.053 117.669 3.384 1
1 1153 . 1 1 1 A 102 102 ARG H H 136 7.077 7.246 -0.169 1
1 1154 . 1 1 1 A 102 102 ARG HA H 136 4.110 4.459 -0.349 1
1 1165 . 1 1 1 A 102 102 ARG CA C 136 55.440 55.063 0.377 1
1 1166 . 1 1 1 A 102 102 ARG CB C 136 29.100 30.004 -0.904 1
1 1169 . 1 1 1 A 102 102 ARG N N 136 121.944 120.805 1.139 1
1 1170 . 1 1 1 A 103 103 ARG H H 137 8.289 8.870 -0.581 1
1 1171 . 1 1 1 A 103 103 ARG HA H 137 4.274 4.764 -0.490 1
1 1182 . 1 1 1 A 103 103 ARG CA C 137 54.100 55.186 -1.086 1
1 1183 . 1 1 1 A 103 103 ARG CB C 137 29.700 31.180 -1.480 1
1 1186 . 1 1 1 A 103 103 ARG N N 137 123.504 124.503 -0.999 1
1 1187 . 1 1 1 A 104 104 HIS H H 138 8.370 8.871 -0.501 1
1 1188 . 1 1 1 A 104 104 HIS HA H 138 4.662 5.317 -0.655 1
1 1192 . 1 1 1 A 104 104 HIS CA C 138 54.110 54.388 -0.278 1
1 1193 . 1 1 1 A 104 104 HIS CB C 138 28.730 33.259 -4.529 1
1 1 . 2 1 1 A 6 6 ASP HA H 40 4.430 5.332 -0.902 1
1 2 . 2 1 1 A 7 7 ASP H H 41 8.479 8.965 -0.486 1
1 3 . 2 1 1 A 7 7 ASP HA H 41 4.640 4.946 -0.306 1
1 6 . 2 1 1 A 7 7 ASP CA C 41 52.900 53.015 -0.115 1
1 7 . 2 1 1 A 7 7 ASP CB C 41 39.760 41.699 -1.939 1
1 8 . 2 1 1 A 7 7 ASP N N 41 124.447 127.651 -3.204 1
1 9 . 2 1 1 A 8 8 VAL H H 42 7.916 8.393 -0.477 1
1 10 . 2 1 1 A 8 8 VAL HA H 42 4.142 4.278 -0.136 1
1 18 . 2 1 1 A 8 8 VAL CA C 42 60.460 61.940 -1.480 1
1 19 . 2 1 1 A 8 8 VAL CB C 42 31.579 32.735 -1.156 1
1 22 . 2 1 1 A 8 8 VAL N N 42 120.853 124.068 -3.215 1
1 23 . 2 1 1 A 9 9 GLU H H 43 8.476 8.596 -0.120 1
1 24 . 2 1 1 A 9 9 GLU HA H 43 4.290 4.846 -0.556 1
1 29 . 2 1 1 A 9 9 GLU CA C 43 55.300 55.318 -0.018 1
1 30 . 2 1 1 A 9 9 GLU CB C 43 29.120 30.460 -1.340 1
1 32 . 2 1 1 A 9 9 GLU N N 43 127.650 124.193 3.457 1
1 33 . 2 1 1 A 10 10 TRP H H 44 8.839 9.031 -0.192 1
1 34 . 2 1 1 A 10 10 TRP HA H 44 5.230 5.060 0.170 1
1 43 . 2 1 1 A 10 10 TRP CA C 44 54.430 55.916 -1.486 1
1 44 . 2 1 1 A 10 10 TRP CB C 44 27.230 29.678 -2.448 1
1 50 . 2 1 1 A 10 10 TRP N N 44 126.378 128.558 -2.180 1
1 51 . 2 1 1 A 11 11 VAL H H 45 9.230 8.519 0.711 1
1 52 . 2 1 1 A 11 11 VAL HA H 45 3.891 3.886 0.005 1
1 60 . 2 1 1 A 11 11 VAL CA C 45 63.500 63.523 -0.023 1
1 61 . 2 1 1 A 11 11 VAL CB C 45 30.420 31.373 -0.953 1
1 64 . 2 1 1 A 11 11 VAL N N 45 131.353 125.151 6.202 1
1 65 . 2 1 1 A 12 12 VAL H H 46 5.020 6.912 -1.892 1
1 66 . 2 1 1 A 12 12 VAL HA H 46 3.040 3.699 -0.659 1
1 74 . 2 1 1 A 12 12 VAL CA C 46 60.690 63.083 -2.393 1
1 75 . 2 1 1 A 12 12 VAL CB C 46 29.280 31.489 -2.209 1
1 78 . 2 1 1 A 13 13 GLY H H 47 7.330 8.063 -0.733 1
1 79 . 2 1 1 A 13 13 GLY HA2 H 47 3.590 3.935 -0.345 1
1 80 . 2 1 1 A 13 13 GLY HA3 H 47 4.180 4.005 0.175 1
1 81 . 2 1 1 A 13 13 GLY CA C 47 46.400 46.737 -0.337 1
1 82 . 2 1 1 A 14 14 LYS H H 48 7.570 8.705 -1.135 1
1 83 . 2 1 1 A 14 14 LYS HA H 48 4.066 4.115 -0.049 1
1 92 . 2 1 1 A 14 14 LYS CA C 48 57.337 58.842 -1.505 1
1 93 . 2 1 1 A 14 14 LYS CB C 48 30.490 31.539 -1.049 1
1 97 . 2 1 1 A 14 14 LYS N N 48 121.084 117.877 3.207 1
1 98 . 2 1 1 A 15 15 ASP H H 49 7.309 7.361 -0.052 1
1 99 . 2 1 1 A 15 15 ASP HA H 49 4.770 4.822 -0.052 1
1 102 . 2 1 1 A 15 15 ASP CA C 49 52.880 53.167 -0.287 1
1 103 . 2 1 1 A 15 15 ASP CB C 49 41.910 41.893 0.017 1
1 104 . 2 1 1 A 15 15 ASP N N 49 118.181 119.067 -0.886 1
1 105 . 2 1 1 A 16 16 LYS H H 50 7.506 8.083 -0.577 1
1 106 . 2 1 1 A 16 16 LYS HA H 50 4.059 4.208 -0.149 1
1 115 . 2 1 1 A 16 16 LYS CA C 50 60.180 61.409 -1.229 1
1 116 . 2 1 1 A 16 16 LYS CB C 50 30.193 30.694 -0.501 1
1 120 . 2 1 1 A 16 16 LYS N N 50 123.633 120.283 3.350 1
1 121 . 2 1 1 A 17 17 PRO HA H 51 4.430 4.317 0.113 1
1 128 . 2 1 1 A 17 17 PRO CA C 51 65.660 65.720 -0.060 1
1 129 . 2 1 1 A 17 17 PRO CB C 51 29.600 30.962 -1.362 1
1 132 . 2 1 1 A 18 18 THR H H 52 7.285 7.565 -0.280 1
1 133 . 2 1 1 A 18 18 THR HA H 52 3.977 4.042 -0.065 1
1 138 . 2 1 1 A 18 18 THR CA C 52 64.330 65.228 -0.898 1
1 139 . 2 1 1 A 18 18 THR CB C 52 67.170 68.146 -0.976 1
1 141 . 2 1 1 A 18 18 THR N N 52 115.095 112.424 2.671 1
1 142 . 2 1 1 A 19 19 TYR H H 53 7.083 7.197 -0.114 1
1 143 . 2 1 1 A 19 19 TYR HA H 53 4.728 4.500 0.228 1
1 150 . 2 1 1 A 19 19 TYR CA C 53 57.110 62.075 -4.965 1
1 151 . 2 1 1 A 19 19 TYR CB C 53 35.130 37.248 -2.118 1
1 156 . 2 1 1 A 19 19 TYR N N 53 125.380 119.860 5.520 1
1 157 . 2 1 1 A 20 20 ASP H H 54 9.596 8.852 0.744 1
1 158 . 2 1 1 A 20 20 ASP HA H 54 4.512 4.608 -0.096 1
1 161 . 2 1 1 A 20 20 ASP CA C 54 55.515 57.806 -2.291 1
1 162 . 2 1 1 A 20 20 ASP CB C 54 38.740 41.564 -2.824 1
1 163 . 2 1 1 A 20 20 ASP N N 54 124.548 121.935 2.613 1
1 164 . 2 1 1 A 21 21 GLU H H 55 7.309 8.184 -0.875 1
1 165 . 2 1 1 A 21 21 GLU HA H 55 4.150 4.139 0.011 1
1 170 . 2 1 1 A 21 21 GLU CA C 55 58.100 59.347 -1.247 1
1 171 . 2 1 1 A 21 21 GLU CB C 55 28.500 29.625 -1.125 1
1 173 . 2 1 1 A 21 21 GLU N N 55 118.181 119.210 -1.029 1
1 174 . 2 1 1 A 22 22 ILE H H 56 7.249 7.834 -0.585 1
1 175 . 2 1 1 A 22 22 ILE HA H 56 3.946 3.751 0.195 1
1 185 . 2 1 1 A 22 22 ILE CA C 56 62.300 65.490 -3.190 1
1 186 . 2 1 1 A 22 22 ILE CB C 56 37.597 38.084 -0.487 1
1 190 . 2 1 1 A 22 22 ILE N N 56 118.978 120.811 -1.833 1
1 191 . 2 1 1 A 23 23 PHE H H 57 9.117 8.649 0.468 1
1 192 . 2 1 1 A 23 23 PHE HA H 57 3.094 3.322 -0.228 1
1 200 . 2 1 1 A 23 23 PHE CA C 57 61.330 61.392 -0.062 1
1 201 . 2 1 1 A 23 23 PHE CB C 57 38.250 38.792 -0.542 1
1 207 . 2 1 1 A 23 23 PHE N N 57 127.639 120.461 7.178 1
1 208 . 2 1 1 A 24 24 TYR H H 58 7.922 8.258 -0.336 1
1 209 . 2 1 1 A 24 24 TYR HA H 58 4.000 4.333 -0.333 1
1 216 . 2 1 1 A 24 24 TYR CA C 58 60.480 61.084 -0.604 1
1 217 . 2 1 1 A 24 24 TYR CB C 58 36.086 37.840 -1.754 1
1 222 . 2 1 1 A 24 24 TYR N N 58 112.757 115.396 -2.639 1
1 223 . 2 1 1 A 25 25 THR H H 59 8.087 7.740 0.347 1
1 224 . 2 1 1 A 25 25 THR HA H 59 4.650 4.321 0.329 1
1 230 . 2 1 1 A 25 25 THR CA C 59 61.770 62.898 -1.128 1
1 231 . 2 1 1 A 25 25 THR CB C 59 68.900 69.236 -0.336 1
1 233 . 2 1 1 A 25 25 THR N N 59 112.676 111.956 0.720 1
1 234 . 2 1 1 A 26 26 LEU H H 60 7.381 7.092 0.289 1
1 235 . 2 1 1 A 26 26 LEU HA H 60 4.470 4.338 0.132 1
1 245 . 2 1 1 A 26 26 LEU CA C 60 52.500 54.070 -1.570 1
1 246 . 2 1 1 A 26 26 LEU CB C 60 38.700 41.921 -3.221 1
1 250 . 2 1 1 A 26 26 LEU N N 60 125.808 120.777 5.031 1
1 251 . 2 1 1 A 27 27 SER H H 61 7.870 7.920 -0.050 1
1 252 . 2 1 1 A 27 27 SER HA H 61 3.980 4.075 -0.095 1
1 255 . 2 1 1 A 27 27 SER CA C 61 56.300 58.577 -2.277 1
1 256 . 2 1 1 A 27 27 SER CB C 61 60.230 61.686 -1.456 1
1 257 . 2 1 1 A 27 27 SER N N 61 111.582 113.109 -1.527 1
1 258 . 2 1 1 A 28 28 PRO HA H 62 4.200 4.750 -0.550 1
1 265 . 2 1 1 A 28 28 PRO CA C 62 61.600 62.048 -0.448 1
1 266 . 2 1 1 A 28 28 PRO CB C 62 29.890 31.226 -1.336 1
1 269 . 2 1 1 A 29 29 VAL H H 63 8.744 8.073 0.671 1
1 270 . 2 1 1 A 29 29 VAL HA H 63 4.180 4.134 0.046 1
1 278 . 2 1 1 A 29 29 VAL CA C 63 60.660 61.870 -1.210 1
1 279 . 2 1 1 A 29 29 VAL CB C 63 32.878 32.610 0.268 1
1 282 . 2 1 1 A 29 29 VAL N N 63 124.299 123.167 1.132 1
1 283 . 2 1 1 A 30 30 ASN H H 64 9.713 9.141 0.572 1
1 284 . 2 1 1 A 30 30 ASN HA H 64 4.420 4.504 -0.084 1
1 289 . 2 1 1 A 30 30 ASN CA C 64 52.940 54.030 -1.090 1
1 290 . 2 1 1 A 30 30 ASN CB C 64 36.300 36.249 0.051 1
1 291 . 2 1 1 A 30 30 ASN N N 64 129.729 124.996 4.733 1
1 293 . 2 1 1 A 31 31 GLY H H 65 8.867 8.674 0.193 1
1 294 . 2 1 1 A 31 31 GLY HA2 H 65 3.760 3.944 -0.184 1
1 295 . 2 1 1 A 31 31 GLY HA3 H 65 4.260 3.958 0.302 1
1 296 . 2 1 1 A 31 31 GLY CA C 65 44.260 45.983 -1.723 1
1 297 . 2 1 1 A 31 31 GLY N N 65 130.590 109.094 21.496 1
1 298 . 2 1 1 A 32 32 LYS H H 66 7.501 7.749 -0.248 1
1 299 . 2 1 1 A 32 32 LYS HA H 66 5.410 5.197 0.213 1
1 308 . 2 1 1 A 32 32 LYS CA C 66 53.780 55.415 -1.635 1
1 309 . 2 1 1 A 32 32 LYS CB C 66 36.540 36.129 0.411 1
1 313 . 2 1 1 A 32 32 LYS N N 66 118.738 118.301 0.437 1
1 314 . 2 1 1 A 33 33 ILE H H 67 9.216 9.067 0.149 1
1 315 . 2 1 1 A 33 33 ILE HA H 67 5.008 4.773 0.235 1
1 325 . 2 1 1 A 33 33 ILE CA C 67 57.470 59.383 -1.913 1
1 326 . 2 1 1 A 33 33 ILE CB C 67 39.700 39.885 -0.185 1
1 330 . 2 1 1 A 33 33 ILE N N 67 118.166 120.339 -2.173 1
1 331 . 2 1 1 A 34 34 THR H H 68 8.255 8.797 -0.542 1
1 332 . 2 1 1 A 34 34 THR HA H 68 4.548 4.768 -0.220 1
1 338 . 2 1 1 A 34 34 THR CA C 68 58.970 60.508 -1.538 1
1 339 . 2 1 1 A 34 34 THR CB C 68 69.762 71.703 -1.941 1
1 341 . 2 1 1 A 34 34 THR N N 68 111.971 114.263 -2.292 1
1 342 . 2 1 1 A 35 35 GLY H H 69 8.940 8.927 0.013 1
1 343 . 2 1 1 A 35 35 GLY HA2 H 69 3.630 3.725 -0.095 1
1 344 . 2 1 1 A 35 35 GLY HA3 H 69 3.900 3.938 -0.038 1
1 345 . 2 1 1 A 35 35 GLY CA C 69 46.900 46.760 0.140 1
1 346 . 2 1 1 A 35 35 GLY N N 69 110.161 109.312 0.849 1
1 347 . 2 1 1 A 36 36 ALA H H 70 8.265 7.611 0.654 1
1 348 . 2 1 1 A 36 36 ALA HA H 70 3.870 3.959 -0.089 1
1 352 . 2 1 1 A 36 36 ALA CA C 70 53.700 54.602 -0.902 1
1 353 . 2 1 1 A 36 36 ALA CB C 70 17.080 18.943 -1.863 1
1 354 . 2 1 1 A 36 36 ALA N N 70 123.384 124.315 -0.931 1
1 355 . 2 1 1 A 37 37 ASN H H 71 7.574 8.150 -0.576 1
1 356 . 2 1 1 A 37 37 ASN HA H 71 4.690 4.558 0.132 1
1 361 . 2 1 1 A 37 37 ASN CA C 71 54.000 55.775 -1.775 1
1 362 . 2 1 1 A 37 37 ASN CB C 71 36.300 38.063 -1.763 1
1 363 . 2 1 1 A 37 37 ASN N N 71 118.852 117.503 1.349 1
1 365 . 2 1 1 A 38 38 ALA H H 72 8.853 7.799 1.054 1
1 366 . 2 1 1 A 38 38 ALA HA H 72 4.108 4.356 -0.248 1
1 370 . 2 1 1 A 38 38 ALA CA C 72 54.450 54.714 -0.264 1
1 371 . 2 1 1 A 38 38 ALA CB C 72 17.970 18.826 -0.856 1
1 372 . 2 1 1 A 38 38 ALA N N 72 123.903 122.731 1.172 1
1 373 . 2 1 1 A 39 39 LYS H H 73 8.837 7.692 1.145 1
1 374 . 2 1 1 A 39 39 LYS HA H 73 3.970 4.032 -0.062 1
1 383 . 2 1 1 A 39 39 LYS CA C 73 59.130 59.640 -0.510 1
1 384 . 2 1 1 A 39 39 LYS CB C 73 30.880 32.167 -1.287 1
1 388 . 2 1 1 A 39 39 LYS N N 73 120.578 118.400 2.178 1
1 389 . 2 1 1 A 40 40 LYS H H 74 7.209 8.078 -0.869 1
1 390 . 2 1 1 A 40 40 LYS HA H 74 3.988 4.049 -0.061 1
1 399 . 2 1 1 A 40 40 LYS CA C 74 58.130 59.294 -1.164 1
1 400 . 2 1 1 A 40 40 LYS CB C 74 30.900 31.900 -1.000 1
1 404 . 2 1 1 A 40 40 LYS N N 74 117.823 118.252 -0.429 1
1 405 . 2 1 1 A 41 41 GLU H H 75 7.089 8.083 -0.994 1
1 406 . 2 1 1 A 41 41 GLU HA H 75 4.450 4.144 0.306 1
1 411 . 2 1 1 A 41 41 GLU CA C 75 56.160 59.384 -3.224 1
1 412 . 2 1 1 A 41 41 GLU CB C 75 28.900 29.609 -0.709 1
1 414 . 2 1 1 A 41 41 GLU N N 75 117.306 119.628 -2.322 1
1 415 . 2 1 1 A 42 42 MET H H 76 8.854 8.316 0.538 1
1 416 . 2 1 1 A 42 42 MET HA H 76 4.010 4.223 -0.213 1
1 424 . 2 1 1 A 42 42 MET CA C 76 58.600 58.607 -0.007 1
1 425 . 2 1 1 A 42 42 MET CB C 76 33.770 32.176 1.594 1
1 428 . 2 1 1 A 42 42 MET N N 76 121.769 118.631 3.138 1
1 429 . 2 1 1 A 43 43 VAL H H 77 8.799 7.958 0.841 1
1 430 . 2 1 1 A 43 43 VAL HA H 77 4.110 3.947 0.163 1
1 438 . 2 1 1 A 43 43 VAL CA C 77 63.490 65.413 -1.923 1
1 439 . 2 1 1 A 43 43 VAL CB C 77 30.470 31.349 -0.879 1
1 442 . 2 1 1 A 43 43 VAL N N 77 116.182 115.492 0.690 1
1 443 . 2 1 1 A 44 44 LYS H H 78 7.498 7.753 -0.255 1
1 444 . 2 1 1 A 44 44 LYS HA H 78 4.130 4.232 -0.102 1
1 453 . 2 1 1 A 44 44 LYS CA C 78 57.670 57.561 0.109 1
1 454 . 2 1 1 A 44 44 LYS CB C 78 30.990 32.426 -1.436 1
1 458 . 2 1 1 A 44 44 LYS N N 78 124.581 120.881 3.700 1
1 459 . 2 1 1 A 45 45 SER H H 79 7.508 7.451 0.057 1
1 460 . 2 1 1 A 45 45 SER HA H 79 4.068 4.543 -0.475 1
1 463 . 2 1 1 A 45 45 SER CA C 79 59.440 58.278 1.162 1
1 464 . 2 1 1 A 45 45 SER CB C 79 64.580 63.309 1.271 1
1 465 . 2 1 1 A 45 45 SER N N 79 114.450 112.476 1.974 1
1 466 . 2 1 1 A 46 46 LYS H H 80 7.802 7.897 -0.095 1
1 467 . 2 1 1 A 46 46 LYS HA H 80 3.920 3.872 0.048 1
1 476 . 2 1 1 A 46 46 LYS CA C 80 56.810 57.480 -0.670 1
1 477 . 2 1 1 A 46 46 LYS CB C 80 27.840 28.925 -1.085 1
1 481 . 2 1 1 A 46 46 LYS N N 80 114.720 117.557 -2.837 1
1 482 . 2 1 1 A 47 47 LEU H H 81 7.468 7.381 0.087 1
1 483 . 2 1 1 A 47 47 LEU HA H 81 4.480 4.588 -0.108 1
1 493 . 2 1 1 A 47 47 LEU CA C 81 52.000 51.797 0.203 1
1 494 . 2 1 1 A 47 47 LEU CB C 81 40.400 42.141 -1.741 1
1 498 . 2 1 1 A 47 47 LEU N N 81 122.848 119.819 3.029 1
1 499 . 2 1 1 A 48 48 PRO HA H 82 4.510 4.560 -0.050 1
1 506 . 2 1 1 A 48 48 PRO CA C 82 60.910 62.860 -1.950 1
1 507 . 2 1 1 A 48 48 PRO CB C 82 31.550 32.802 -1.252 1
1 510 . 2 1 1 A 49 49 ASN H H 83 7.580 8.667 -1.087 1
1 511 . 2 1 1 A 49 49 ASN HA H 83 4.220 4.389 -0.169 1
1 516 . 2 1 1 A 49 49 ASN CA C 83 56.000 56.406 -0.406 1
1 517 . 2 1 1 A 49 49 ASN CB C 83 36.900 38.205 -1.305 1
1 519 . 2 1 1 A 50 50 THR H H 84 7.270 8.054 -0.784 1
1 520 . 2 1 1 A 50 50 THR HA H 84 4.000 3.938 0.062 1
1 525 . 2 1 1 A 50 50 THR CA C 84 63.474 67.135 -3.661 1
1 526 . 2 1 1 A 50 50 THR CB C 84 66.950 68.934 -1.984 1
1 528 . 2 1 1 A 51 51 VAL H H 85 6.827 8.081 -1.254 1
1 529 . 2 1 1 A 51 51 VAL HA H 85 3.620 3.778 -0.158 1
1 537 . 2 1 1 A 51 51 VAL CA C 85 64.100 67.093 -2.993 1
1 538 . 2 1 1 A 51 51 VAL CB C 85 30.500 31.314 -0.814 1
1 541 . 2 1 1 A 51 51 VAL N N 85 124.677 122.154 2.523 1
1 542 . 2 1 1 A 52 52 LEU H H 86 7.912 8.423 -0.511 1
1 543 . 2 1 1 A 52 52 LEU HA H 86 3.560 4.038 -0.478 1
1 553 . 2 1 1 A 52 52 LEU CA C 86 56.600 58.120 -1.520 1
1 554 . 2 1 1 A 52 52 LEU CB C 86 38.090 41.785 -3.695 1
1 558 . 2 1 1 A 52 52 LEU N N 86 121.680 119.593 2.087 1
1 559 . 2 1 1 A 53 53 GLY H H 87 8.429 8.530 -0.101 1
1 560 . 2 1 1 A 53 53 GLY HA2 H 87 3.940 3.790 0.150 1
1 561 . 2 1 1 A 53 53 GLY HA3 H 87 4.130 3.809 0.321 1
1 562 . 2 1 1 A 53 53 GLY CA C 87 46.200 47.146 -0.946 1
1 563 . 2 1 1 A 53 53 GLY N N 87 107.113 107.169 -0.056 1
1 564 . 2 1 1 A 54 54 LYS H H 88 7.260 7.902 -0.642 1
1 565 . 2 1 1 A 54 54 LYS HA H 88 4.150 4.029 0.121 1
1 574 . 2 1 1 A 54 54 LYS CA C 88 57.890 59.443 -1.553 1
1 575 . 2 1 1 A 54 54 LYS CB C 88 31.000 32.192 -1.192 1
1 579 . 2 1 1 A 54 54 LYS N N 88 124.980 122.032 2.948 1
1 580 . 2 1 1 A 55 55 ILE H H 89 8.019 8.487 -0.468 1
1 581 . 2 1 1 A 55 55 ILE HA H 89 3.476 3.500 -0.024 1
1 591 . 2 1 1 A 55 55 ILE CA C 89 65.360 66.092 -0.732 1
1 592 . 2 1 1 A 55 55 ILE CB C 89 36.300 38.414 -2.114 1
1 596 . 2 1 1 A 55 55 ILE N N 89 122.812 120.279 2.533 1
1 597 . 2 1 1 A 56 56 TRP H H 90 8.911 8.745 0.166 1
1 598 . 2 1 1 A 56 56 TRP HA H 90 3.810 4.121 -0.311 1
1 607 . 2 1 1 A 56 56 TRP CA C 90 60.260 60.673 -0.413 1
1 608 . 2 1 1 A 56 56 TRP CB C 90 27.000 29.639 -2.639 1
1 614 . 2 1 1 A 56 56 TRP N N 90 121.947 121.690 0.257 1
1 616 . 2 1 1 A 57 57 LYS H H 91 7.577 8.491 -0.914 1
1 617 . 2 1 1 A 57 57 LYS HA H 91 4.010 4.241 -0.231 1
1 626 . 2 1 1 A 57 57 LYS CA C 91 57.890 58.850 -0.960 1
1 627 . 2 1 1 A 57 57 LYS CB C 91 31.300 31.808 -0.508 1
1 631 . 2 1 1 A 57 57 LYS N N 91 117.344 118.703 -1.359 1
1 632 . 2 1 1 A 58 58 LEU H H 92 7.571 7.640 -0.069 1
1 633 . 2 1 1 A 58 58 LEU HA H 92 3.995 4.177 -0.182 1
1 643 . 2 1 1 A 58 58 LEU CA C 92 55.780 57.108 -1.328 1
1 644 . 2 1 1 A 58 58 LEU CB C 92 42.270 41.965 0.305 1
1 648 . 2 1 1 A 58 58 LEU N N 92 119.520 118.454 1.066 1
1 649 . 2 1 1 A 59 59 ALA H H 93 8.135 8.208 -0.073 1
1 650 . 2 1 1 A 59 59 ALA HA H 93 4.150 4.128 0.022 1
1 654 . 2 1 1 A 59 59 ALA CA C 93 52.400 54.984 -2.584 1
1 655 . 2 1 1 A 59 59 ALA CB C 93 17.700 18.300 -0.600 1
1 656 . 2 1 1 A 59 59 ALA N N 93 120.351 121.634 -1.283 1
1 657 . 2 1 1 A 60 60 ASP H H 94 7.733 7.816 -0.083 1
1 658 . 2 1 1 A 60 60 ASP HA H 94 4.560 4.371 0.189 1
1 661 . 2 1 1 A 60 60 ASP CA C 94 50.550 53.943 -3.393 1
1 662 . 2 1 1 A 60 60 ASP CB C 94 35.220 40.626 -5.406 1
1 663 . 2 1 1 A 60 60 ASP N N 94 115.750 117.116 -1.366 1
1 664 . 2 1 1 A 61 61 VAL H H 95 8.358 8.187 0.171 1
1 665 . 2 1 1 A 61 61 VAL HA H 95 3.500 3.615 -0.115 1
1 673 . 2 1 1 A 61 61 VAL CA C 95 64.360 66.281 -1.921 1
1 674 . 2 1 1 A 61 61 VAL CB C 95 31.330 31.916 -0.586 1
1 677 . 2 1 1 A 61 61 VAL N N 95 129.465 124.553 4.912 1
1 678 . 2 1 1 A 62 62 ASP H H 96 7.910 7.617 0.293 1
1 679 . 2 1 1 A 62 62 ASP HA H 96 4.530 4.495 0.035 1
1 682 . 2 1 1 A 62 62 ASP CA C 96 51.630 54.600 -2.970 1
1 683 . 2 1 1 A 62 62 ASP CB C 96 38.300 41.097 -2.797 1
1 684 . 2 1 1 A 62 62 ASP N N 96 115.789 117.219 -1.430 1
1 685 . 2 1 1 A 63 63 LYS H H 97 7.590 7.367 0.223 1
1 686 . 2 1 1 A 63 63 LYS HA H 97 3.850 4.539 -0.689 1
1 695 . 2 1 1 A 63 63 LYS CA C 97 56.450 57.194 -0.744 1
1 696 . 2 1 1 A 63 63 LYS CB C 97 28.000 29.586 -1.586 1
1 700 . 2 1 1 A 63 63 LYS N N 97 115.885 115.336 0.549 1
1 701 . 2 1 1 A 64 64 ASP H H 98 8.379 8.224 0.155 1
1 702 . 2 1 1 A 64 64 ASP HA H 98 4.707 4.690 0.017 1
1 705 . 2 1 1 A 64 64 ASP CA C 98 52.060 52.989 -0.929 1
1 706 . 2 1 1 A 64 64 ASP CB C 98 39.500 40.342 -0.842 1
1 707 . 2 1 1 A 64 64 ASP N N 98 119.948 118.630 1.318 1
1 708 . 2 1 1 A 65 65 GLY H H 99 10.740 8.726 2.014 1
1 709 . 2 1 1 A 65 65 GLY HA2 H 99 3.990 4.014 -0.024 1
1 710 . 2 1 1 A 65 65 GLY HA3 H 99 4.360 4.178 0.182 1
1 711 . 2 1 1 A 65 65 GLY CA C 99 45.160 46.107 -0.947 1
1 712 . 2 1 1 A 65 65 GLY N N 99 115.529 111.797 3.732 1
1 713 . 2 1 1 A 66 66 LEU H H 100 8.197 7.380 0.817 1
1 714 . 2 1 1 A 66 66 LEU HA H 100 5.180 5.105 0.075 1
1 724 . 2 1 1 A 66 66 LEU CA C 100 52.200 53.250 -1.050 1
1 725 . 2 1 1 A 66 66 LEU CB C 100 44.290 46.590 -2.300 1
1 729 . 2 1 1 A 66 66 LEU N N 100 123.347 121.307 2.040 1
1 730 . 2 1 1 A 67 67 LEU H H 101 8.697 9.299 -0.602 1
1 731 . 2 1 1 A 67 67 LEU HA H 101 5.796 4.839 0.957 1
1 741 . 2 1 1 A 67 67 LEU CA C 101 51.600 53.654 -2.054 1
1 742 . 2 1 1 A 67 67 LEU CB C 101 42.100 44.037 -1.937 1
1 746 . 2 1 1 A 67 67 LEU N N 101 121.209 121.924 -0.715 1
1 747 . 2 1 1 A 68 68 ASP H H 102 9.241 8.782 0.459 1
1 748 . 2 1 1 A 68 68 ASP HA H 102 5.620 4.853 0.767 1
1 751 . 2 1 1 A 68 68 ASP CA C 102 50.980 52.674 -1.694 1
1 752 . 2 1 1 A 68 68 ASP CB C 102 39.750 41.266 -1.516 1
1 753 . 2 1 1 A 68 68 ASP N N 102 124.386 125.548 -1.162 1
1 754 . 2 1 1 A 69 69 ASP H H 103 8.523 8.453 0.070 1
1 755 . 2 1 1 A 69 69 ASP HA H 103 2.830 3.201 -0.371 1
1 758 . 2 1 1 A 69 69 ASP CA C 103 56.160 55.820 0.340 1
1 759 . 2 1 1 A 69 69 ASP CB C 103 37.160 39.423 -2.263 1
1 760 . 2 1 1 A 69 69 ASP N N 103 117.349 117.882 -0.533 1
1 761 . 2 1 1 A 70 70 GLU H H 104 8.003 7.659 0.344 1
1 762 . 2 1 1 A 70 70 GLU HA H 104 4.075 4.305 -0.230 1
1 767 . 2 1 1 A 70 70 GLU CA C 104 58.950 58.996 -0.046 1
1 768 . 2 1 1 A 70 70 GLU CB C 104 29.134 29.897 -0.763 1
1 770 . 2 1 1 A 70 70 GLU N N 104 124.806 120.065 4.741 1
1 771 . 2 1 1 A 71 71 GLU H H 105 8.758 8.100 0.658 1
1 772 . 2 1 1 A 71 71 GLU HA H 105 4.030 4.022 0.008 1
1 777 . 2 1 1 A 71 71 GLU CA C 105 58.570 59.044 -0.474 1
1 778 . 2 1 1 A 71 71 GLU CB C 105 30.270 29.265 1.005 1
1 780 . 2 1 1 A 71 71 GLU N N 105 123.541 120.897 2.644 1
1 781 . 2 1 1 A 72 72 PHE H H 106 9.416 8.733 0.683 1
1 782 . 2 1 1 A 72 72 PHE HA H 106 4.230 4.184 0.046 1
1 790 . 2 1 1 A 72 72 PHE CA C 106 60.000 61.703 -1.703 1
1 791 . 2 1 1 A 72 72 PHE CB C 106 38.440 39.044 -0.604 1
1 797 . 2 1 1 A 72 72 PHE N N 106 120.706 121.553 -0.847 1
1 798 . 2 1 1 A 73 73 ALA H H 107 8.085 8.136 -0.051 1
1 799 . 2 1 1 A 73 73 ALA HA H 107 3.778 3.637 0.141 1
1 803 . 2 1 1 A 73 73 ALA CA C 107 54.010 54.998 -0.988 1
1 804 . 2 1 1 A 73 73 ALA CB C 107 16.691 17.875 -1.184 1
1 805 . 2 1 1 A 73 73 ALA N N 107 126.845 121.094 5.751 1
1 806 . 2 1 1 A 74 74 LEU H H 108 8.443 7.937 0.506 1
1 807 . 2 1 1 A 74 74 LEU HA H 108 4.048 3.939 0.109 1
1 817 . 2 1 1 A 74 74 LEU CA C 108 56.811 57.706 -0.895 1
1 818 . 2 1 1 A 74 74 LEU CB C 108 41.090 41.561 -0.471 1
1 822 . 2 1 1 A 74 74 LEU N N 108 121.249 120.468 0.781 1
1 823 . 2 1 1 A 75 75 ALA H H 109 8.677 8.212 0.465 1
1 824 . 2 1 1 A 75 75 ALA HA H 109 3.648 3.994 -0.346 1
1 828 . 2 1 1 A 75 75 ALA CA C 109 54.220 55.473 -1.253 1
1 829 . 2 1 1 A 75 75 ALA CB C 109 15.367 17.979 -2.612 1
1 830 . 2 1 1 A 75 75 ALA N N 109 122.981 120.984 1.997 1
1 831 . 2 1 1 A 76 76 ASN H H 110 7.270 8.004 -0.734 1
1 832 . 2 1 1 A 76 76 ASN HA H 110 3.800 4.271 -0.471 1
1 837 . 2 1 1 A 76 76 ASN CA C 110 55.500 56.062 -0.562 1
1 838 . 2 1 1 A 76 76 ASN CB C 110 36.610 37.350 -0.740 1
1 839 . 2 1 1 A 76 76 ASN N N 110 115.791 116.384 -0.593 1
1 841 . 2 1 1 A 77 77 HIS H H 111 8.363 7.821 0.542 1
1 842 . 2 1 1 A 77 77 HIS HA H 111 4.092 4.164 -0.072 1
1 847 . 2 1 1 A 77 77 HIS CA C 111 59.180 59.275 -0.095 1
1 848 . 2 1 1 A 77 77 HIS CB C 111 30.420 29.590 0.830 1
1 851 . 2 1 1 A 77 77 HIS N N 111 124.686 120.890 3.796 1
1 852 . 2 1 1 A 78 78 LEU H H 112 8.278 8.221 0.057 1
1 853 . 2 1 1 A 78 78 LEU HA H 112 3.820 3.834 -0.014 1
1 863 . 2 1 1 A 78 78 LEU CA C 112 56.115 57.816 -1.701 1
1 864 . 2 1 1 A 78 78 LEU CB C 112 41.000 41.387 -0.387 1
1 868 . 2 1 1 A 78 78 LEU N N 112 119.085 119.244 -0.159 1
1 869 . 2 1 1 A 79 79 ILE H H 113 7.799 8.007 -0.208 1
1 870 . 2 1 1 A 79 79 ILE HA H 113 3.270 3.547 -0.277 1
1 880 . 2 1 1 A 79 79 ILE CA C 113 65.020 64.514 0.506 1
1 881 . 2 1 1 A 79 79 ILE CB C 113 36.730 36.788 -0.058 1
1 885 . 2 1 1 A 79 79 ILE N N 113 121.304 120.458 0.846 1
1 886 . 2 1 1 A 80 80 LYS H H 114 7.546 8.177 -0.631 1
1 887 . 2 1 1 A 80 80 LYS HA H 114 3.820 3.954 -0.134 1
1 896 . 2 1 1 A 80 80 LYS CA C 114 58.970 59.719 -0.749 1
1 897 . 2 1 1 A 80 80 LYS CB C 114 30.470 32.136 -1.666 1
1 901 . 2 1 1 A 80 80 LYS N N 114 122.150 122.001 0.149 1
1 902 . 2 1 1 A 81 81 VAL H H 115 8.110 7.747 0.363 1
1 903 . 2 1 1 A 81 81 VAL HA H 115 3.736 3.803 -0.067 1
1 911 . 2 1 1 A 81 81 VAL CA C 115 64.500 66.356 -1.856 1
1 912 . 2 1 1 A 81 81 VAL CB C 115 30.050 31.408 -1.358 1
1 915 . 2 1 1 A 81 81 VAL N N 115 118.999 118.160 0.839 1
1 916 . 2 1 1 A 82 82 LYS H H 116 7.853 7.916 -0.063 1
1 917 . 2 1 1 A 82 82 LYS HA H 116 4.520 4.148 0.372 1
1 926 . 2 1 1 A 82 82 LYS CA C 116 56.000 59.700 -3.700 1
1 927 . 2 1 1 A 82 82 LYS CB C 116 30.340 32.653 -2.313 1
1 931 . 2 1 1 A 82 82 LYS N N 116 123.030 122.358 0.672 1
1 932 . 2 1 1 A 83 83 LEU H H 117 8.959 8.164 0.795 1
1 933 . 2 1 1 A 83 83 LEU HA H 117 4.080 4.092 -0.012 1
1 943 . 2 1 1 A 83 83 LEU CA C 117 56.620 57.188 -0.568 1
1 944 . 2 1 1 A 83 83 LEU CB C 117 40.361 41.003 -0.642 1
1 948 . 2 1 1 A 83 83 LEU N N 117 125.378 119.698 5.680 1
1 949 . 2 1 1 A 84 84 GLU H H 118 7.817 8.136 -0.319 1
1 950 . 2 1 1 A 84 84 GLU HA H 118 4.156 4.239 -0.083 1
1 955 . 2 1 1 A 84 84 GLU CA C 118 55.100 56.631 -1.531 1
1 956 . 2 1 1 A 84 84 GLU CB C 118 28.600 29.930 -1.330 1
1 958 . 2 1 1 A 84 84 GLU N N 118 119.766 116.837 2.929 1
1 959 . 2 1 1 A 85 85 GLY H H 119 7.862 8.040 -0.178 1
1 960 . 2 1 1 A 85 85 GLY HA2 H 119 3.640 3.761 -0.121 1
1 961 . 2 1 1 A 85 85 GLY HA3 H 119 4.140 3.851 0.289 1
1 962 . 2 1 1 A 85 85 GLY CA C 119 43.690 45.549 -1.859 1
1 963 . 2 1 1 A 85 85 GLY N N 119 107.933 108.211 -0.278 1
1 964 . 2 1 1 A 86 86 HIS H H 120 7.714 7.996 -0.282 1
1 965 . 2 1 1 A 86 86 HIS HA H 120 4.670 5.060 -0.390 1
1 970 . 2 1 1 A 86 86 HIS CA C 120 53.780 54.616 -0.836 1
1 971 . 2 1 1 A 86 86 HIS CB C 120 29.390 33.922 -4.532 1
1 973 . 2 1 1 A 86 86 HIS N N 120 122.124 116.637 5.487 1
1 974 . 2 1 1 A 87 87 GLU H H 121 8.491 8.908 -0.417 1
1 975 . 2 1 1 A 87 87 GLU HA H 121 4.300 4.645 -0.345 1
1 980 . 2 1 1 A 87 87 GLU CA C 121 54.000 55.974 -1.974 1
1 981 . 2 1 1 A 87 87 GLU CB C 121 29.120 31.073 -1.953 1
1 983 . 2 1 1 A 87 87 GLU N N 121 121.826 121.517 0.309 1
1 984 . 2 1 1 A 88 88 LEU H H 122 8.659 8.816 -0.157 1
1 985 . 2 1 1 A 88 88 LEU HA H 122 4.417 4.826 -0.409 1
1 995 . 2 1 1 A 88 88 LEU CA C 122 50.777 52.834 -2.057 1
1 996 . 2 1 1 A 88 88 LEU CB C 122 39.986 42.014 -2.028 1
1 1000 . 2 1 1 A 88 88 LEU N N 122 125.316 122.517 2.799 1
1 1001 . 2 1 1 A 89 89 PRO HA H 123 4.570 4.483 0.087 1
1 1008 . 2 1 1 A 89 89 PRO CA C 123 60.690 63.624 -2.934 1
1 1009 . 2 1 1 A 89 89 PRO CB C 123 30.320 32.092 -1.772 1
1 1012 . 2 1 1 A 90 90 ALA H H 124 8.464 7.945 0.519 1
1 1013 . 2 1 1 A 90 90 ALA HA H 124 4.068 3.951 0.117 1
1 1017 . 2 1 1 A 90 90 ALA CA C 124 52.700 53.475 -0.775 1
1 1018 . 2 1 1 A 90 90 ALA CB C 124 17.760 17.960 -0.200 1
1 1019 . 2 1 1 A 90 90 ALA N N 124 123.603 120.101 3.502 1
1 1020 . 2 1 1 A 91 91 ASP H H 125 7.482 7.814 -0.332 1
1 1021 . 2 1 1 A 91 91 ASP HA H 125 4.630 5.206 -0.576 1
1 1024 . 2 1 1 A 91 91 ASP CA C 125 50.340 52.813 -2.473 1
1 1025 . 2 1 1 A 91 91 ASP CB C 125 42.620 44.728 -2.108 1
1 1026 . 2 1 1 A 91 91 ASP N N 125 115.317 116.211 -0.894 1
1 1027 . 2 1 1 A 92 92 LEU H H 126 8.883 9.047 -0.164 1
1 1028 . 2 1 1 A 92 92 LEU HA H 126 4.196 4.882 -0.686 1
1 1038 . 2 1 1 A 92 92 LEU CA C 126 51.930 51.582 0.348 1
1 1039 . 2 1 1 A 92 92 LEU CB C 126 41.032 42.899 -1.867 1
1 1043 . 2 1 1 A 92 92 LEU N N 126 125.329 123.081 2.248 1
1 1044 . 2 1 1 A 93 93 PRO HA H 127 4.860 4.614 0.246 1
1 1051 . 2 1 1 A 93 93 PRO CA C 127 59.820 61.876 -2.056 1
1 1052 . 2 1 1 A 93 93 PRO CB C 127 29.800 32.282 -2.482 1
1 1055 . 2 1 1 A 94 94 PRO HA H 128 4.220 4.282 -0.062 1
1 1062 . 2 1 1 A 94 94 PRO CA C 128 64.560 64.727 -0.167 1
1 1063 . 2 1 1 A 94 94 PRO CB C 128 30.900 31.800 -0.900 1
1 1066 . 2 1 1 A 95 95 HIS H H 129 7.922 8.107 -0.185 1
1 1067 . 2 1 1 A 95 95 HIS HA H 129 4.650 4.635 0.015 1
1 1072 . 2 1 1 A 95 95 HIS CA C 129 56.810 55.624 1.186 1
1 1073 . 2 1 1 A 95 95 HIS CB C 129 28.100 30.576 -2.476 1
1 1076 . 2 1 1 A 95 95 HIS N N 129 112.757 114.744 -1.987 1
1 1077 . 2 1 1 A 96 96 LEU H H 130 7.717 7.582 0.135 1
1 1078 . 2 1 1 A 96 96 LEU HA H 130 4.646 4.321 0.325 1
1 1088 . 2 1 1 A 96 96 LEU CA C 130 52.920 54.399 -1.479 1
1 1089 . 2 1 1 A 96 96 LEU CB C 130 42.210 42.270 -0.060 1
1 1093 . 2 1 1 A 96 96 LEU N N 130 121.128 119.111 2.017 1
1 1094 . 2 1 1 A 97 97 VAL H H 131 7.173 7.707 -0.534 1
1 1095 . 2 1 1 A 97 97 VAL HA H 131 3.720 4.132 -0.412 1
1 1103 . 2 1 1 A 97 97 VAL CA C 131 60.520 59.581 0.939 1
1 1104 . 2 1 1 A 97 97 VAL CB C 131 31.310 31.963 -0.653 1
1 1107 . 2 1 1 A 97 97 VAL N N 131 125.460 121.825 3.635 1
1 1108 . 2 1 1 A 98 98 PRO HA H 132 2.720 3.585 -0.865 1
1 1115 . 2 1 1 A 98 98 PRO CA C 132 59.400 61.450 -2.050 1
1 1116 . 2 1 1 A 98 98 PRO CB C 132 30.250 31.974 -1.724 1
1 1119 . 2 1 1 A 99 99 PRO HA H 133 3.610 4.275 -0.665 1
1 1126 . 2 1 1 A 99 99 PRO CA C 133 64.760 64.309 0.451 1
1 1127 . 2 1 1 A 99 99 PRO CB C 133 30.770 31.569 -0.799 1
1 1130 . 2 1 1 A 100 100 SER H H 134 9.222 7.797 1.425 1
1 1131 . 2 1 1 A 100 100 SER HA H 134 4.140 4.423 -0.283 1
1 1134 . 2 1 1 A 100 100 SER CA C 134 59.660 59.238 0.422 1
1 1135 . 2 1 1 A 100 100 SER CB C 134 61.320 63.173 -1.853 1
1 1136 . 2 1 1 A 100 100 SER N N 134 115.005 112.861 2.144 1
1 1137 . 2 1 1 A 101 101 LYS H H 135 7.867 7.507 0.360 1
1 1138 . 2 1 1 A 101 101 LYS HA H 135 4.470 4.556 -0.086 1
1 1147 . 2 1 1 A 101 101 LYS CA C 135 52.490 55.085 -2.595 1
1 1148 . 2 1 1 A 101 101 LYS CB C 135 30.600 32.198 -1.598 1
1 1152 . 2 1 1 A 101 101 LYS N N 135 121.053 118.713 2.340 1
1 1153 . 2 1 1 A 102 102 ARG H H 136 7.077 7.633 -0.556 1
1 1154 . 2 1 1 A 102 102 ARG HA H 136 4.110 4.953 -0.843 1
1 1165 . 2 1 1 A 102 102 ARG CA C 136 55.440 54.558 0.882 1
1 1166 . 2 1 1 A 102 102 ARG CB C 136 29.100 32.947 -3.847 1
1 1169 . 2 1 1 A 102 102 ARG N N 136 121.944 119.393 2.551 1
1 1170 . 2 1 1 A 103 103 ARG H H 137 8.289 8.750 -0.461 1
1 1171 . 2 1 1 A 103 103 ARG HA H 137 4.274 5.111 -0.837 1
1 1182 . 2 1 1 A 103 103 ARG CA C 137 54.100 54.251 -0.151 1
1 1183 . 2 1 1 A 103 103 ARG CB C 137 29.700 34.203 -4.503 1
1 1186 . 2 1 1 A 103 103 ARG N N 137 123.504 122.830 0.674 1
1 1187 . 2 1 1 A 104 104 HIS H H 138 8.370 8.437 -0.067 1
1 1188 . 2 1 1 A 104 104 HIS HA H 138 4.662 5.136 -0.474 1
1 1192 . 2 1 1 A 104 104 HIS CA C 138 54.110 53.847 0.263 1
1 1193 . 2 1 1 A 104 104 HIS CB C 138 28.730 32.303 -3.573 1
1 1 . 3 1 1 A 6 6 ASP HA H 40 4.430 5.180 -0.750 1
1 2 . 3 1 1 A 7 7 ASP H H 41 8.479 8.968 -0.489 1
1 3 . 3 1 1 A 7 7 ASP HA H 41 4.640 4.821 -0.181 1
1 6 . 3 1 1 A 7 7 ASP CA C 41 52.900 53.288 -0.388 1
1 7 . 3 1 1 A 7 7 ASP CB C 41 39.760 39.874 -0.114 1
1 8 . 3 1 1 A 7 7 ASP N N 41 124.447 125.764 -1.317 1
1 9 . 3 1 1 A 8 8 VAL H H 42 7.916 8.701 -0.785 1
1 10 . 3 1 1 A 8 8 VAL HA H 42 4.142 4.695 -0.553 1
1 18 . 3 1 1 A 8 8 VAL CA C 42 60.460 60.241 0.219 1
1 19 . 3 1 1 A 8 8 VAL CB C 42 31.579 33.589 -2.010 1
1 22 . 3 1 1 A 8 8 VAL N N 42 120.853 125.812 -4.959 1
1 23 . 3 1 1 A 9 9 GLU H H 43 8.476 8.617 -0.141 1
1 24 . 3 1 1 A 9 9 GLU HA H 43 4.290 4.714 -0.424 1
1 29 . 3 1 1 A 9 9 GLU CA C 43 55.300 55.809 -0.509 1
1 30 . 3 1 1 A 9 9 GLU CB C 43 29.120 30.035 -0.915 1
1 32 . 3 1 1 A 9 9 GLU N N 43 127.650 126.693 0.957 1
1 33 . 3 1 1 A 10 10 TRP H H 44 8.839 9.009 -0.170 1
1 34 . 3 1 1 A 10 10 TRP HA H 44 5.230 4.836 0.394 1
1 43 . 3 1 1 A 10 10 TRP CA C 44 54.430 55.910 -1.480 1
1 44 . 3 1 1 A 10 10 TRP CB C 44 27.230 29.661 -2.431 1
1 50 . 3 1 1 A 10 10 TRP N N 44 126.378 128.269 -1.891 1
1 51 . 3 1 1 A 11 11 VAL H H 45 9.230 8.442 0.788 1
1 52 . 3 1 1 A 11 11 VAL HA H 45 3.891 3.841 0.050 1
1 60 . 3 1 1 A 11 11 VAL CA C 45 63.500 63.839 -0.339 1
1 61 . 3 1 1 A 11 11 VAL CB C 45 30.420 31.343 -0.923 1
1 64 . 3 1 1 A 11 11 VAL N N 45 131.353 125.547 5.806 1
1 65 . 3 1 1 A 12 12 VAL H H 46 5.020 7.085 -2.065 1
1 66 . 3 1 1 A 12 12 VAL HA H 46 3.040 3.695 -0.655 1
1 74 . 3 1 1 A 12 12 VAL CA C 46 60.690 64.444 -3.754 1
1 75 . 3 1 1 A 12 12 VAL CB C 46 29.280 31.394 -2.114 1
1 78 . 3 1 1 A 13 13 GLY H H 47 7.330 8.316 -0.986 1
1 79 . 3 1 1 A 13 13 GLY HA2 H 47 3.590 3.937 -0.347 1
1 80 . 3 1 1 A 13 13 GLY HA3 H 47 4.180 3.981 0.199 1
1 81 . 3 1 1 A 13 13 GLY CA C 47 46.400 46.544 -0.144 1
1 82 . 3 1 1 A 14 14 LYS H H 48 7.570 8.061 -0.491 1
1 83 . 3 1 1 A 14 14 LYS HA H 48 4.066 4.160 -0.094 1
1 92 . 3 1 1 A 14 14 LYS CA C 48 57.337 58.477 -1.140 1
1 93 . 3 1 1 A 14 14 LYS CB C 48 30.490 32.789 -2.299 1
1 97 . 3 1 1 A 14 14 LYS N N 48 121.084 117.219 3.865 1
1 98 . 3 1 1 A 15 15 ASP H H 49 7.309 7.656 -0.347 1
1 99 . 3 1 1 A 15 15 ASP HA H 49 4.770 4.870 -0.100 1
1 102 . 3 1 1 A 15 15 ASP CA C 49 52.880 53.402 -0.522 1
1 103 . 3 1 1 A 15 15 ASP CB C 49 41.910 41.483 0.427 1
1 104 . 3 1 1 A 15 15 ASP N N 49 118.181 119.261 -1.080 1
1 105 . 3 1 1 A 16 16 LYS H H 50 7.506 7.573 -0.067 1
1 106 . 3 1 1 A 16 16 LYS HA H 50 4.059 4.141 -0.082 1
1 115 . 3 1 1 A 16 16 LYS CA C 50 60.180 61.377 -1.197 1
1 116 . 3 1 1 A 16 16 LYS CB C 50 30.193 30.735 -0.542 1
1 120 . 3 1 1 A 16 16 LYS N N 50 123.633 120.746 2.887 1
1 121 . 3 1 1 A 17 17 PRO HA H 51 4.430 4.394 0.036 1
1 128 . 3 1 1 A 17 17 PRO CA C 51 65.660 65.469 0.191 1
1 129 . 3 1 1 A 17 17 PRO CB C 51 29.600 31.055 -1.455 1
1 132 . 3 1 1 A 18 18 THR H H 52 7.285 7.572 -0.287 1
1 133 . 3 1 1 A 18 18 THR HA H 52 3.977 4.037 -0.060 1
1 138 . 3 1 1 A 18 18 THR CA C 52 64.330 65.188 -0.858 1
1 139 . 3 1 1 A 18 18 THR CB C 52 67.170 68.190 -1.020 1
1 141 . 3 1 1 A 18 18 THR N N 52 115.095 112.214 2.881 1
1 142 . 3 1 1 A 19 19 TYR H H 53 7.083 7.306 -0.223 1
1 143 . 3 1 1 A 19 19 TYR HA H 53 4.728 4.417 0.311 1
1 150 . 3 1 1 A 19 19 TYR CA C 53 57.110 62.017 -4.907 1
1 151 . 3 1 1 A 19 19 TYR CB C 53 35.130 37.157 -2.027 1
1 156 . 3 1 1 A 19 19 TYR N N 53 125.380 119.883 5.497 1
1 157 . 3 1 1 A 20 20 ASP H H 54 9.596 8.018 1.578 1
1 158 . 3 1 1 A 20 20 ASP HA H 54 4.512 4.612 -0.100 1
1 161 . 3 1 1 A 20 20 ASP CA C 54 55.515 57.570 -2.055 1
1 162 . 3 1 1 A 20 20 ASP CB C 54 38.740 40.465 -1.725 1
1 163 . 3 1 1 A 20 20 ASP N N 54 124.548 121.124 3.424 1
1 164 . 3 1 1 A 21 21 GLU H H 55 7.309 8.085 -0.776 1
1 165 . 3 1 1 A 21 21 GLU HA H 55 4.150 4.211 -0.061 1
1 170 . 3 1 1 A 21 21 GLU CA C 55 58.100 59.376 -1.276 1
1 171 . 3 1 1 A 21 21 GLU CB C 55 28.500 29.469 -0.969 1
1 173 . 3 1 1 A 21 21 GLU N N 55 118.181 119.806 -1.625 1
1 174 . 3 1 1 A 22 22 ILE H H 56 7.249 7.842 -0.593 1
1 175 . 3 1 1 A 22 22 ILE HA H 56 3.946 4.244 -0.298 1
1 185 . 3 1 1 A 22 22 ILE CA C 56 62.300 63.934 -1.634 1
1 186 . 3 1 1 A 22 22 ILE CB C 56 37.597 37.011 0.586 1
1 190 . 3 1 1 A 22 22 ILE N N 56 118.978 120.756 -1.778 1
1 191 . 3 1 1 A 23 23 PHE H H 57 9.117 8.349 0.768 1
1 192 . 3 1 1 A 23 23 PHE HA H 57 3.094 3.544 -0.450 1
1 200 . 3 1 1 A 23 23 PHE CA C 57 61.330 61.461 -0.131 1
1 201 . 3 1 1 A 23 23 PHE CB C 57 38.250 38.772 -0.522 1
1 207 . 3 1 1 A 23 23 PHE N N 57 127.639 122.845 4.794 1
1 208 . 3 1 1 A 24 24 TYR H H 58 7.922 8.516 -0.594 1
1 209 . 3 1 1 A 24 24 TYR HA H 58 4.000 4.400 -0.400 1
1 216 . 3 1 1 A 24 24 TYR CA C 58 60.480 61.215 -0.735 1
1 217 . 3 1 1 A 24 24 TYR CB C 58 36.086 37.961 -1.875 1
1 222 . 3 1 1 A 24 24 TYR N N 58 112.757 115.738 -2.981 1
1 223 . 3 1 1 A 25 25 THR H H 59 8.087 7.775 0.312 1
1 224 . 3 1 1 A 25 25 THR HA H 59 4.650 4.334 0.316 1
1 230 . 3 1 1 A 25 25 THR CA C 59 61.770 63.076 -1.306 1
1 231 . 3 1 1 A 25 25 THR CB C 59 68.900 69.371 -0.471 1
1 233 . 3 1 1 A 25 25 THR N N 59 112.676 110.964 1.712 1
1 234 . 3 1 1 A 26 26 LEU H H 60 7.381 7.039 0.342 1
1 235 . 3 1 1 A 26 26 LEU HA H 60 4.470 4.365 0.105 1
1 245 . 3 1 1 A 26 26 LEU CA C 60 52.500 54.047 -1.547 1
1 246 . 3 1 1 A 26 26 LEU CB C 60 38.700 41.960 -3.260 1
1 250 . 3 1 1 A 26 26 LEU N N 60 125.808 120.695 5.113 1
1 251 . 3 1 1 A 27 27 SER H H 61 7.870 7.939 -0.069 1
1 252 . 3 1 1 A 27 27 SER HA H 61 3.980 4.078 -0.098 1
1 255 . 3 1 1 A 27 27 SER CA C 61 56.300 58.567 -2.267 1
1 256 . 3 1 1 A 27 27 SER CB C 61 60.230 61.647 -1.417 1
1 257 . 3 1 1 A 27 27 SER N N 61 111.582 113.076 -1.494 1
1 258 . 3 1 1 A 28 28 PRO HA H 62 4.200 4.518 -0.318 1
1 265 . 3 1 1 A 28 28 PRO CA C 62 61.600 62.009 -0.409 1
1 266 . 3 1 1 A 28 28 PRO CB C 62 29.890 31.181 -1.291 1
1 269 . 3 1 1 A 29 29 VAL H H 63 8.744 8.103 0.641 1
1 270 . 3 1 1 A 29 29 VAL HA H 63 4.180 4.184 -0.004 1
1 278 . 3 1 1 A 29 29 VAL CA C 63 60.660 61.020 -0.360 1
1 279 . 3 1 1 A 29 29 VAL CB C 63 32.878 32.607 0.271 1
1 282 . 3 1 1 A 29 29 VAL N N 63 124.299 118.626 5.673 1
1 283 . 3 1 1 A 30 30 ASN H H 64 9.713 9.086 0.627 1
1 284 . 3 1 1 A 30 30 ASN HA H 64 4.420 4.514 -0.094 1
1 289 . 3 1 1 A 30 30 ASN CA C 64 52.940 54.010 -1.070 1
1 290 . 3 1 1 A 30 30 ASN CB C 64 36.300 36.234 0.066 1
1 291 . 3 1 1 A 30 30 ASN N N 64 129.729 123.366 6.363 1
1 293 . 3 1 1 A 31 31 GLY H H 65 8.867 8.576 0.291 1
1 294 . 3 1 1 A 31 31 GLY HA2 H 65 3.760 3.933 -0.173 1
1 295 . 3 1 1 A 31 31 GLY HA3 H 65 4.260 3.950 0.310 1
1 296 . 3 1 1 A 31 31 GLY CA C 65 44.260 45.588 -1.328 1
1 297 . 3 1 1 A 31 31 GLY N N 65 130.590 108.919 21.671 1
1 298 . 3 1 1 A 32 32 LYS H H 66 7.501 7.801 -0.300 1
1 299 . 3 1 1 A 32 32 LYS HA H 66 5.410 5.180 0.230 1
1 308 . 3 1 1 A 32 32 LYS CA C 66 53.780 55.315 -1.535 1
1 309 . 3 1 1 A 32 32 LYS CB C 66 36.540 36.075 0.465 1
1 313 . 3 1 1 A 32 32 LYS N N 66 118.738 119.123 -0.385 1
1 314 . 3 1 1 A 33 33 ILE H H 67 9.216 8.659 0.557 1
1 315 . 3 1 1 A 33 33 ILE HA H 67 5.008 4.645 0.363 1
1 325 . 3 1 1 A 33 33 ILE CA C 67 57.470 59.458 -1.988 1
1 326 . 3 1 1 A 33 33 ILE CB C 67 39.700 39.568 0.132 1
1 330 . 3 1 1 A 33 33 ILE N N 67 118.166 120.604 -2.438 1
1 331 . 3 1 1 A 34 34 THR H H 68 8.255 7.987 0.268 1
1 332 . 3 1 1 A 34 34 THR HA H 68 4.548 4.700 -0.152 1
1 338 . 3 1 1 A 34 34 THR CA C 68 58.970 59.896 -0.926 1
1 339 . 3 1 1 A 34 34 THR CB C 68 69.762 71.308 -1.546 1
1 341 . 3 1 1 A 34 34 THR N N 68 111.971 113.226 -1.255 1
1 342 . 3 1 1 A 35 35 GLY H H 69 8.940 8.967 -0.027 1
1 343 . 3 1 1 A 35 35 GLY HA2 H 69 3.630 3.774 -0.144 1
1 344 . 3 1 1 A 35 35 GLY HA3 H 69 3.900 4.102 -0.202 1
1 345 . 3 1 1 A 35 35 GLY CA C 69 46.900 47.391 -0.491 1
1 346 . 3 1 1 A 35 35 GLY N N 69 110.161 109.278 0.883 1
1 347 . 3 1 1 A 36 36 ALA H H 70 8.265 8.088 0.177 1
1 348 . 3 1 1 A 36 36 ALA HA H 70 3.870 4.023 -0.153 1
1 352 . 3 1 1 A 36 36 ALA CA C 70 53.700 54.982 -1.282 1
1 353 . 3 1 1 A 36 36 ALA CB C 70 17.080 18.290 -1.210 1
1 354 . 3 1 1 A 36 36 ALA N N 70 123.384 124.744 -1.360 1
1 355 . 3 1 1 A 37 37 ASN H H 71 7.574 8.255 -0.681 1
1 356 . 3 1 1 A 37 37 ASN HA H 71 4.690 4.565 0.125 1
1 361 . 3 1 1 A 37 37 ASN CA C 71 54.000 55.693 -1.693 1
1 362 . 3 1 1 A 37 37 ASN CB C 71 36.300 37.969 -1.669 1
1 363 . 3 1 1 A 37 37 ASN N N 71 118.852 116.708 2.144 1
1 365 . 3 1 1 A 38 38 ALA H H 72 8.853 7.721 1.132 1
1 366 . 3 1 1 A 38 38 ALA HA H 72 4.108 4.345 -0.237 1
1 370 . 3 1 1 A 38 38 ALA CA C 72 54.450 55.174 -0.724 1
1 371 . 3 1 1 A 38 38 ALA CB C 72 17.970 18.646 -0.676 1
1 372 . 3 1 1 A 38 38 ALA N N 72 123.903 122.894 1.009 1
1 373 . 3 1 1 A 39 39 LYS H H 73 8.837 8.269 0.568 1
1 374 . 3 1 1 A 39 39 LYS HA H 73 3.970 4.030 -0.060 1
1 383 . 3 1 1 A 39 39 LYS CA C 73 59.130 59.699 -0.569 1
1 384 . 3 1 1 A 39 39 LYS CB C 73 30.880 32.273 -1.393 1
1 388 . 3 1 1 A 39 39 LYS N N 73 120.578 118.421 2.157 1
1 389 . 3 1 1 A 40 40 LYS H H 74 7.209 8.247 -1.038 1
1 390 . 3 1 1 A 40 40 LYS HA H 74 3.988 4.053 -0.065 1
1 399 . 3 1 1 A 40 40 LYS CA C 74 58.130 59.338 -1.208 1
1 400 . 3 1 1 A 40 40 LYS CB C 74 30.900 31.889 -0.989 1
1 404 . 3 1 1 A 40 40 LYS N N 74 117.823 118.162 -0.339 1
1 405 . 3 1 1 A 41 41 GLU H H 75 7.089 8.184 -1.095 1
1 406 . 3 1 1 A 41 41 GLU HA H 75 4.450 4.103 0.347 1
1 411 . 3 1 1 A 41 41 GLU CA C 75 56.160 59.765 -3.605 1
1 412 . 3 1 1 A 41 41 GLU CB C 75 28.900 29.022 -0.122 1
1 414 . 3 1 1 A 41 41 GLU N N 75 117.306 119.560 -2.254 1
1 415 . 3 1 1 A 42 42 MET H H 76 8.854 8.106 0.748 1
1 416 . 3 1 1 A 42 42 MET HA H 76 4.010 4.759 -0.749 1
1 424 . 3 1 1 A 42 42 MET CA C 76 58.600 57.454 1.146 1
1 425 . 3 1 1 A 42 42 MET CB C 76 33.770 31.840 1.930 1
1 428 . 3 1 1 A 42 42 MET N N 76 121.769 118.366 3.403 1
1 429 . 3 1 1 A 43 43 VAL H H 77 8.799 7.554 1.245 1
1 430 . 3 1 1 A 43 43 VAL HA H 77 4.110 3.926 0.184 1
1 438 . 3 1 1 A 43 43 VAL CA C 77 63.490 65.441 -1.951 1
1 439 . 3 1 1 A 43 43 VAL CB C 77 30.470 31.370 -0.900 1
1 442 . 3 1 1 A 43 43 VAL N N 77 116.182 116.104 0.078 1
1 443 . 3 1 1 A 44 44 LYS H H 78 7.498 8.039 -0.541 1
1 444 . 3 1 1 A 44 44 LYS HA H 78 4.130 4.177 -0.047 1
1 453 . 3 1 1 A 44 44 LYS CA C 78 57.670 58.252 -0.582 1
1 454 . 3 1 1 A 44 44 LYS CB C 78 30.990 32.338 -1.348 1
1 458 . 3 1 1 A 44 44 LYS N N 78 124.581 122.630 1.951 1
1 459 . 3 1 1 A 45 45 SER H H 79 7.508 7.446 0.062 1
1 460 . 3 1 1 A 45 45 SER HA H 79 4.068 4.478 -0.410 1
1 463 . 3 1 1 A 45 45 SER CA C 79 59.440 59.175 0.265 1
1 464 . 3 1 1 A 45 45 SER CB C 79 64.580 63.362 1.218 1
1 465 . 3 1 1 A 45 45 SER N N 79 114.450 116.917 -2.467 1
1 466 . 3 1 1 A 46 46 LYS H H 80 7.802 8.039 -0.237 1
1 467 . 3 1 1 A 46 46 LYS HA H 80 3.920 3.905 0.015 1
1 476 . 3 1 1 A 46 46 LYS CA C 80 56.810 57.640 -0.830 1
1 477 . 3 1 1 A 46 46 LYS CB C 80 27.840 31.288 -3.448 1
1 481 . 3 1 1 A 46 46 LYS N N 80 114.720 120.434 -5.714 1
1 482 . 3 1 1 A 47 47 LEU H H 81 7.468 7.907 -0.439 1
1 483 . 3 1 1 A 47 47 LEU HA H 81 4.480 4.684 -0.204 1
1 493 . 3 1 1 A 47 47 LEU CA C 81 52.000 52.224 -0.224 1
1 494 . 3 1 1 A 47 47 LEU CB C 81 40.400 42.239 -1.839 1
1 498 . 3 1 1 A 47 47 LEU N N 81 122.848 120.340 2.508 1
1 499 . 3 1 1 A 48 48 PRO HA H 82 4.510 4.556 -0.046 1
1 506 . 3 1 1 A 48 48 PRO CA C 82 60.910 62.936 -2.026 1
1 507 . 3 1 1 A 48 48 PRO CB C 82 31.550 32.558 -1.008 1
1 510 . 3 1 1 A 49 49 ASN H H 83 7.580 9.026 -1.446 1
1 511 . 3 1 1 A 49 49 ASN HA H 83 4.220 4.461 -0.241 1
1 516 . 3 1 1 A 49 49 ASN CA C 83 56.000 56.109 -0.109 1
1 517 . 3 1 1 A 49 49 ASN CB C 83 36.900 38.177 -1.277 1
1 519 . 3 1 1 A 50 50 THR H H 84 7.270 8.061 -0.791 1
1 520 . 3 1 1 A 50 50 THR HA H 84 4.000 3.869 0.131 1
1 525 . 3 1 1 A 50 50 THR CA C 84 63.474 67.216 -3.742 1
1 526 . 3 1 1 A 50 50 THR CB C 84 66.950 68.511 -1.561 1
1 528 . 3 1 1 A 51 51 VAL H H 85 6.827 8.210 -1.383 1
1 529 . 3 1 1 A 51 51 VAL HA H 85 3.620 3.875 -0.255 1
1 537 . 3 1 1 A 51 51 VAL CA C 85 64.100 67.342 -3.242 1
1 538 . 3 1 1 A 51 51 VAL CB C 85 30.500 31.615 -1.115 1
1 541 . 3 1 1 A 51 51 VAL N N 85 124.677 122.625 2.052 1
1 542 . 3 1 1 A 52 52 LEU H H 86 7.912 8.250 -0.338 1
1 543 . 3 1 1 A 52 52 LEU HA H 86 3.560 4.070 -0.510 1
1 553 . 3 1 1 A 52 52 LEU CA C 86 56.600 58.554 -1.954 1
1 554 . 3 1 1 A 52 52 LEU CB C 86 38.090 41.794 -3.704 1
1 558 . 3 1 1 A 52 52 LEU N N 86 121.680 120.133 1.547 1
1 559 . 3 1 1 A 53 53 GLY H H 87 8.429 8.505 -0.076 1
1 560 . 3 1 1 A 53 53 GLY HA2 H 87 3.940 3.733 0.207 1
1 561 . 3 1 1 A 53 53 GLY HA3 H 87 4.130 3.762 0.368 1
1 562 . 3 1 1 A 53 53 GLY CA C 87 46.200 47.127 -0.927 1
1 563 . 3 1 1 A 53 53 GLY N N 87 107.113 105.481 1.632 1
1 564 . 3 1 1 A 54 54 LYS H H 88 7.260 7.933 -0.673 1
1 565 . 3 1 1 A 54 54 LYS HA H 88 4.150 4.061 0.089 1
1 574 . 3 1 1 A 54 54 LYS CA C 88 57.890 59.381 -1.491 1
1 575 . 3 1 1 A 54 54 LYS CB C 88 31.000 32.246 -1.246 1
1 579 . 3 1 1 A 54 54 LYS N N 88 124.980 122.297 2.683 1
1 580 . 3 1 1 A 55 55 ILE H H 89 8.019 8.383 -0.364 1
1 581 . 3 1 1 A 55 55 ILE HA H 89 3.476 3.749 -0.273 1
1 591 . 3 1 1 A 55 55 ILE CA C 89 65.360 64.950 0.410 1
1 592 . 3 1 1 A 55 55 ILE CB C 89 36.300 37.336 -1.036 1
1 596 . 3 1 1 A 55 55 ILE N N 89 122.812 119.750 3.062 1
1 597 . 3 1 1 A 56 56 TRP H H 90 8.911 8.607 0.304 1
1 598 . 3 1 1 A 56 56 TRP HA H 90 3.810 4.220 -0.410 1
1 607 . 3 1 1 A 56 56 TRP CA C 90 60.260 60.107 0.153 1
1 608 . 3 1 1 A 56 56 TRP CB C 90 27.000 29.987 -2.987 1
1 614 . 3 1 1 A 56 56 TRP N N 90 121.947 122.697 -0.750 1
1 616 . 3 1 1 A 57 57 LYS H H 91 7.577 8.237 -0.660 1
1 617 . 3 1 1 A 57 57 LYS HA H 91 4.010 4.183 -0.173 1
1 626 . 3 1 1 A 57 57 LYS CA C 91 57.890 59.592 -1.702 1
1 627 . 3 1 1 A 57 57 LYS CB C 91 31.300 32.341 -1.041 1
1 631 . 3 1 1 A 57 57 LYS N N 91 117.344 119.528 -2.184 1
1 632 . 3 1 1 A 58 58 LEU H H 92 7.571 8.211 -0.640 1
1 633 . 3 1 1 A 58 58 LEU HA H 92 3.995 4.071 -0.076 1
1 643 . 3 1 1 A 58 58 LEU CA C 92 55.780 57.694 -1.914 1
1 644 . 3 1 1 A 58 58 LEU CB C 92 42.270 41.226 1.044 1
1 648 . 3 1 1 A 58 58 LEU N N 92 119.520 119.542 -0.022 1
1 649 . 3 1 1 A 59 59 ALA H H 93 8.135 7.957 0.178 1
1 650 . 3 1 1 A 59 59 ALA HA H 93 4.150 4.095 0.055 1
1 654 . 3 1 1 A 59 59 ALA CA C 93 52.400 54.940 -2.540 1
1 655 . 3 1 1 A 59 59 ALA CB C 93 17.700 18.369 -0.669 1
1 656 . 3 1 1 A 59 59 ALA N N 93 120.351 120.480 -0.129 1
1 657 . 3 1 1 A 60 60 ASP H H 94 7.733 8.105 -0.372 1
1 658 . 3 1 1 A 60 60 ASP HA H 94 4.560 4.931 -0.371 1
1 661 . 3 1 1 A 60 60 ASP CA C 94 50.550 53.647 -3.097 1
1 662 . 3 1 1 A 60 60 ASP CB C 94 35.220 39.993 -4.773 1
1 663 . 3 1 1 A 60 60 ASP N N 94 115.750 117.105 -1.355 1
1 664 . 3 1 1 A 61 61 VAL H H 95 8.358 7.882 0.476 1
1 665 . 3 1 1 A 61 61 VAL HA H 95 3.500 3.642 -0.142 1
1 673 . 3 1 1 A 61 61 VAL CA C 95 64.360 66.255 -1.895 1
1 674 . 3 1 1 A 61 61 VAL CB C 95 31.330 31.728 -0.398 1
1 677 . 3 1 1 A 61 61 VAL N N 95 129.465 124.394 5.071 1
1 678 . 3 1 1 A 62 62 ASP H H 96 7.910 7.529 0.381 1
1 679 . 3 1 1 A 62 62 ASP HA H 96 4.530 4.503 0.027 1
1 682 . 3 1 1 A 62 62 ASP CA C 96 51.630 54.519 -2.889 1
1 683 . 3 1 1 A 62 62 ASP CB C 96 38.300 41.004 -2.704 1
1 684 . 3 1 1 A 62 62 ASP N N 96 115.789 117.122 -1.333 1
1 685 . 3 1 1 A 63 63 LYS H H 97 7.590 7.750 -0.160 1
1 686 . 3 1 1 A 63 63 LYS HA H 97 3.850 4.620 -0.770 1
1 695 . 3 1 1 A 63 63 LYS CA C 97 56.450 57.385 -0.935 1
1 696 . 3 1 1 A 63 63 LYS CB C 97 28.000 29.294 -1.294 1
1 700 . 3 1 1 A 63 63 LYS N N 97 115.885 115.413 0.472 1
1 701 . 3 1 1 A 64 64 ASP H H 98 8.379 8.030 0.349 1
1 702 . 3 1 1 A 64 64 ASP HA H 98 4.707 4.700 0.007 1
1 705 . 3 1 1 A 64 64 ASP CA C 98 52.060 53.019 -0.959 1
1 706 . 3 1 1 A 64 64 ASP CB C 98 39.500 40.350 -0.850 1
1 707 . 3 1 1 A 64 64 ASP N N 98 119.948 118.585 1.363 1
1 708 . 3 1 1 A 65 65 GLY H H 99 10.740 8.742 1.998 1
1 709 . 3 1 1 A 65 65 GLY HA2 H 99 3.990 4.011 -0.021 1
1 710 . 3 1 1 A 65 65 GLY HA3 H 99 4.360 4.179 0.181 1
1 711 . 3 1 1 A 65 65 GLY CA C 99 45.160 46.142 -0.982 1
1 712 . 3 1 1 A 65 65 GLY N N 99 115.529 111.635 3.894 1
1 713 . 3 1 1 A 66 66 LEU H H 100 8.197 7.544 0.653 1
1 714 . 3 1 1 A 66 66 LEU HA H 100 5.180 5.124 0.056 1
1 724 . 3 1 1 A 66 66 LEU CA C 100 52.200 53.090 -0.890 1
1 725 . 3 1 1 A 66 66 LEU CB C 100 44.290 45.938 -1.648 1
1 729 . 3 1 1 A 66 66 LEU N N 100 123.347 121.568 1.779 1
1 730 . 3 1 1 A 67 67 LEU H H 101 8.697 9.125 -0.428 1
1 731 . 3 1 1 A 67 67 LEU HA H 101 5.796 4.868 0.928 1
1 741 . 3 1 1 A 67 67 LEU CA C 101 51.600 53.713 -2.113 1
1 742 . 3 1 1 A 67 67 LEU CB C 101 42.100 42.584 -0.484 1
1 746 . 3 1 1 A 67 67 LEU N N 101 121.209 123.109 -1.900 1
1 747 . 3 1 1 A 68 68 ASP H H 102 9.241 8.848 0.393 1
1 748 . 3 1 1 A 68 68 ASP HA H 102 5.620 4.741 0.879 1
1 751 . 3 1 1 A 68 68 ASP CA C 102 50.980 53.521 -2.541 1
1 752 . 3 1 1 A 68 68 ASP CB C 102 39.750 41.833 -2.083 1
1 753 . 3 1 1 A 68 68 ASP N N 102 124.386 125.369 -0.983 1
1 754 . 3 1 1 A 69 69 ASP H H 103 8.523 8.822 -0.299 1
1 755 . 3 1 1 A 69 69 ASP HA H 103 2.830 3.179 -0.349 1
1 758 . 3 1 1 A 69 69 ASP CA C 103 56.160 58.136 -1.976 1
1 759 . 3 1 1 A 69 69 ASP CB C 103 37.160 40.923 -3.763 1
1 760 . 3 1 1 A 69 69 ASP N N 103 117.349 125.410 -8.061 1
1 761 . 3 1 1 A 70 70 GLU H H 104 8.003 7.632 0.371 1
1 762 . 3 1 1 A 70 70 GLU HA H 104 4.075 4.181 -0.106 1
1 767 . 3 1 1 A 70 70 GLU CA C 104 58.950 59.507 -0.557 1
1 768 . 3 1 1 A 70 70 GLU CB C 104 29.134 29.564 -0.430 1
1 770 . 3 1 1 A 70 70 GLU N N 104 124.806 118.302 6.504 1
1 771 . 3 1 1 A 71 71 GLU H H 105 8.758 8.087 0.671 1
1 772 . 3 1 1 A 71 71 GLU HA H 105 4.030 4.010 0.020 1
1 777 . 3 1 1 A 71 71 GLU CA C 105 58.570 59.172 -0.602 1
1 778 . 3 1 1 A 71 71 GLU CB C 105 30.270 29.176 1.094 1
1 780 . 3 1 1 A 71 71 GLU N N 105 123.541 120.295 3.246 1
1 781 . 3 1 1 A 72 72 PHE H H 106 9.416 8.769 0.647 1
1 782 . 3 1 1 A 72 72 PHE HA H 106 4.230 4.116 0.114 1
1 790 . 3 1 1 A 72 72 PHE CA C 106 60.000 61.678 -1.678 1
1 791 . 3 1 1 A 72 72 PHE CB C 106 38.440 39.072 -0.632 1
1 797 . 3 1 1 A 72 72 PHE N N 106 120.706 121.377 -0.671 1
1 798 . 3 1 1 A 73 73 ALA H H 107 8.085 8.191 -0.106 1
1 799 . 3 1 1 A 73 73 ALA HA H 107 3.778 3.463 0.315 1
1 803 . 3 1 1 A 73 73 ALA CA C 107 54.010 54.896 -0.886 1
1 804 . 3 1 1 A 73 73 ALA CB C 107 16.691 17.780 -1.089 1
1 805 . 3 1 1 A 73 73 ALA N N 107 126.845 121.014 5.831 1
1 806 . 3 1 1 A 74 74 LEU H H 108 8.443 7.832 0.611 1
1 807 . 3 1 1 A 74 74 LEU HA H 108 4.048 3.880 0.168 1
1 817 . 3 1 1 A 74 74 LEU CA C 108 56.811 57.713 -0.902 1
1 818 . 3 1 1 A 74 74 LEU CB C 108 41.090 41.471 -0.381 1
1 822 . 3 1 1 A 74 74 LEU N N 108 121.249 120.128 1.121 1
1 823 . 3 1 1 A 75 75 ALA H H 109 8.677 8.261 0.416 1
1 824 . 3 1 1 A 75 75 ALA HA H 109 3.648 3.928 -0.280 1
1 828 . 3 1 1 A 75 75 ALA CA C 109 54.220 55.533 -1.313 1
1 829 . 3 1 1 A 75 75 ALA CB C 109 15.367 18.138 -2.771 1
1 830 . 3 1 1 A 75 75 ALA N N 109 122.981 120.821 2.160 1
1 831 . 3 1 1 A 76 76 ASN H H 110 7.270 7.779 -0.509 1
1 832 . 3 1 1 A 76 76 ASN HA H 110 3.800 4.326 -0.526 1
1 837 . 3 1 1 A 76 76 ASN CA C 110 55.500 55.693 -0.193 1
1 838 . 3 1 1 A 76 76 ASN CB C 110 36.610 37.801 -1.191 1
1 839 . 3 1 1 A 76 76 ASN N N 110 115.791 116.079 -0.288 1
1 841 . 3 1 1 A 77 77 HIS H H 111 8.363 7.585 0.778 1
1 842 . 3 1 1 A 77 77 HIS HA H 111 4.092 4.202 -0.110 1
1 847 . 3 1 1 A 77 77 HIS CA C 111 59.180 59.456 -0.276 1
1 848 . 3 1 1 A 77 77 HIS CB C 111 30.420 29.756 0.664 1
1 851 . 3 1 1 A 77 77 HIS N N 111 124.686 120.872 3.814 1
1 852 . 3 1 1 A 78 78 LEU H H 112 8.278 8.098 0.180 1
1 853 . 3 1 1 A 78 78 LEU HA H 112 3.820 3.827 -0.007 1
1 863 . 3 1 1 A 78 78 LEU CA C 112 56.115 57.715 -1.600 1
1 864 . 3 1 1 A 78 78 LEU CB C 112 41.000 41.395 -0.395 1
1 868 . 3 1 1 A 78 78 LEU N N 112 119.085 119.221 -0.136 1
1 869 . 3 1 1 A 79 79 ILE H H 113 7.799 8.168 -0.369 1
1 870 . 3 1 1 A 79 79 ILE HA H 113 3.270 3.456 -0.186 1
1 880 . 3 1 1 A 79 79 ILE CA C 113 65.020 65.753 -0.733 1
1 881 . 3 1 1 A 79 79 ILE CB C 113 36.730 37.760 -1.030 1
1 885 . 3 1 1 A 79 79 ILE N N 113 121.304 119.950 1.354 1
1 886 . 3 1 1 A 80 80 LYS H H 114 7.546 8.064 -0.518 1
1 887 . 3 1 1 A 80 80 LYS HA H 114 3.820 3.944 -0.124 1
1 896 . 3 1 1 A 80 80 LYS CA C 114 58.970 59.710 -0.740 1
1 897 . 3 1 1 A 80 80 LYS CB C 114 30.470 32.236 -1.766 1
1 901 . 3 1 1 A 80 80 LYS N N 114 122.150 121.479 0.671 1
1 902 . 3 1 1 A 81 81 VAL H H 115 8.110 7.643 0.467 1
1 903 . 3 1 1 A 81 81 VAL HA H 115 3.736 3.779 -0.043 1
1 911 . 3 1 1 A 81 81 VAL CA C 115 64.500 65.990 -1.490 1
1 912 . 3 1 1 A 81 81 VAL CB C 115 30.050 31.442 -1.392 1
1 915 . 3 1 1 A 81 81 VAL N N 115 118.999 118.460 0.539 1
1 916 . 3 1 1 A 82 82 LYS H H 116 7.853 7.714 0.139 1
1 917 . 3 1 1 A 82 82 LYS HA H 116 4.520 3.955 0.565 1
1 926 . 3 1 1 A 82 82 LYS CA C 116 56.000 59.744 -3.744 1
1 927 . 3 1 1 A 82 82 LYS CB C 116 30.340 32.605 -2.265 1
1 931 . 3 1 1 A 82 82 LYS N N 116 123.030 121.837 1.193 1
1 932 . 3 1 1 A 83 83 LEU H H 117 8.959 8.148 0.811 1
1 933 . 3 1 1 A 83 83 LEU HA H 117 4.080 4.026 0.054 1
1 943 . 3 1 1 A 83 83 LEU CA C 117 56.620 57.548 -0.928 1
1 944 . 3 1 1 A 83 83 LEU CB C 117 40.361 41.155 -0.794 1
1 948 . 3 1 1 A 83 83 LEU N N 117 125.378 119.785 5.593 1
1 949 . 3 1 1 A 84 84 GLU H H 118 7.817 8.145 -0.328 1
1 950 . 3 1 1 A 84 84 GLU HA H 118 4.156 4.216 -0.060 1
1 955 . 3 1 1 A 84 84 GLU CA C 118 55.100 56.316 -1.216 1
1 956 . 3 1 1 A 84 84 GLU CB C 118 28.600 29.919 -1.319 1
1 958 . 3 1 1 A 84 84 GLU N N 118 119.766 116.535 3.231 1
1 959 . 3 1 1 A 85 85 GLY H H 119 7.862 7.698 0.164 1
1 960 . 3 1 1 A 85 85 GLY HA2 H 119 3.640 3.693 -0.053 1
1 961 . 3 1 1 A 85 85 GLY HA3 H 119 4.140 3.783 0.357 1
1 962 . 3 1 1 A 85 85 GLY CA C 119 43.690 45.599 -1.909 1
1 963 . 3 1 1 A 85 85 GLY N N 119 107.933 109.122 -1.189 1
1 964 . 3 1 1 A 86 86 HIS H H 120 7.714 7.724 -0.010 1
1 965 . 3 1 1 A 86 86 HIS HA H 120 4.670 4.668 0.002 1
1 970 . 3 1 1 A 86 86 HIS CA C 120 53.780 55.743 -1.963 1
1 971 . 3 1 1 A 86 86 HIS CB C 120 29.390 32.386 -2.996 1
1 973 . 3 1 1 A 86 86 HIS N N 120 122.124 118.079 4.045 1
1 974 . 3 1 1 A 87 87 GLU H H 121 8.491 8.552 -0.061 1
1 975 . 3 1 1 A 87 87 GLU HA H 121 4.300 4.596 -0.296 1
1 980 . 3 1 1 A 87 87 GLU CA C 121 54.000 55.920 -1.920 1
1 981 . 3 1 1 A 87 87 GLU CB C 121 29.120 30.436 -1.316 1
1 983 . 3 1 1 A 87 87 GLU N N 121 121.826 120.368 1.458 1
1 984 . 3 1 1 A 88 88 LEU H H 122 8.659 8.895 -0.236 1
1 985 . 3 1 1 A 88 88 LEU HA H 122 4.417 5.045 -0.628 1
1 995 . 3 1 1 A 88 88 LEU CA C 122 50.777 51.064 -0.287 1
1 996 . 3 1 1 A 88 88 LEU CB C 122 39.986 44.078 -4.092 1
1 1000 . 3 1 1 A 88 88 LEU N N 122 125.316 120.585 4.731 1
1 1001 . 3 1 1 A 89 89 PRO HA H 123 4.570 4.421 0.149 1
1 1008 . 3 1 1 A 89 89 PRO CA C 123 60.690 63.796 -3.106 1
1 1009 . 3 1 1 A 89 89 PRO CB C 123 30.320 31.913 -1.593 1
1 1012 . 3 1 1 A 90 90 ALA H H 124 8.464 7.998 0.466 1
1 1013 . 3 1 1 A 90 90 ALA HA H 124 4.068 3.947 0.121 1
1 1017 . 3 1 1 A 90 90 ALA CA C 124 52.700 53.670 -0.970 1
1 1018 . 3 1 1 A 90 90 ALA CB C 124 17.760 17.910 -0.150 1
1 1019 . 3 1 1 A 90 90 ALA N N 124 123.603 120.498 3.105 1
1 1020 . 3 1 1 A 91 91 ASP H H 125 7.482 7.680 -0.198 1
1 1021 . 3 1 1 A 91 91 ASP HA H 125 4.630 5.247 -0.617 1
1 1024 . 3 1 1 A 91 91 ASP CA C 125 50.340 53.115 -2.775 1
1 1025 . 3 1 1 A 91 91 ASP CB C 125 42.620 44.829 -2.209 1
1 1026 . 3 1 1 A 91 91 ASP N N 125 115.317 116.863 -1.546 1
1 1027 . 3 1 1 A 92 92 LEU H H 126 8.883 9.194 -0.311 1
1 1028 . 3 1 1 A 92 92 LEU HA H 126 4.196 4.831 -0.635 1
1 1038 . 3 1 1 A 92 92 LEU CA C 126 51.930 51.308 0.622 1
1 1039 . 3 1 1 A 92 92 LEU CB C 126 41.032 43.142 -2.110 1
1 1043 . 3 1 1 A 92 92 LEU N N 126 125.329 121.985 3.344 1
1 1044 . 3 1 1 A 93 93 PRO HA H 127 4.860 4.513 0.347 1
1 1051 . 3 1 1 A 93 93 PRO CA C 127 59.820 61.568 -1.748 1
1 1052 . 3 1 1 A 93 93 PRO CB C 127 29.800 32.103 -2.303 1
1 1055 . 3 1 1 A 94 94 PRO HA H 128 4.220 4.165 0.055 1
1 1062 . 3 1 1 A 94 94 PRO CA C 128 64.560 65.012 -0.452 1
1 1063 . 3 1 1 A 94 94 PRO CB C 128 30.900 31.898 -0.998 1
1 1066 . 3 1 1 A 95 95 HIS H H 129 7.922 7.722 0.200 1
1 1067 . 3 1 1 A 95 95 HIS HA H 129 4.650 4.629 0.021 1
1 1072 . 3 1 1 A 95 95 HIS CA C 129 56.810 55.772 1.038 1
1 1073 . 3 1 1 A 95 95 HIS CB C 129 28.100 30.532 -2.432 1
1 1076 . 3 1 1 A 95 95 HIS N N 129 112.757 114.111 -1.354 1
1 1077 . 3 1 1 A 96 96 LEU H H 130 7.717 7.764 -0.047 1
1 1078 . 3 1 1 A 96 96 LEU HA H 130 4.646 4.935 -0.289 1
1 1088 . 3 1 1 A 96 96 LEU CA C 130 52.920 54.635 -1.715 1
1 1089 . 3 1 1 A 96 96 LEU CB C 130 42.210 43.659 -1.449 1
1 1093 . 3 1 1 A 96 96 LEU N N 130 121.128 118.971 2.157 1
1 1094 . 3 1 1 A 97 97 VAL H H 131 7.173 7.601 -0.428 1
1 1095 . 3 1 1 A 97 97 VAL HA H 131 3.720 4.134 -0.414 1
1 1103 . 3 1 1 A 97 97 VAL CA C 131 60.520 59.556 0.964 1
1 1104 . 3 1 1 A 97 97 VAL CB C 131 31.310 32.116 -0.806 1
1 1107 . 3 1 1 A 97 97 VAL N N 131 125.460 120.998 4.462 1
1 1108 . 3 1 1 A 98 98 PRO HA H 132 2.720 3.653 -0.933 1
1 1115 . 3 1 1 A 98 98 PRO CA C 132 59.400 61.592 -2.192 1
1 1116 . 3 1 1 A 98 98 PRO CB C 132 30.250 31.953 -1.703 1
1 1119 . 3 1 1 A 99 99 PRO HA H 133 3.610 4.176 -0.566 1
1 1126 . 3 1 1 A 99 99 PRO CA C 133 64.760 64.566 0.194 1
1 1127 . 3 1 1 A 99 99 PRO CB C 133 30.770 31.636 -0.866 1
1 1130 . 3 1 1 A 100 100 SER H H 134 9.222 8.224 0.998 1
1 1131 . 3 1 1 A 100 100 SER HA H 134 4.140 4.417 -0.277 1
1 1134 . 3 1 1 A 100 100 SER CA C 134 59.660 59.193 0.467 1
1 1135 . 3 1 1 A 100 100 SER CB C 134 61.320 63.318 -1.998 1
1 1136 . 3 1 1 A 100 100 SER N N 134 115.005 111.990 3.015 1
1 1137 . 3 1 1 A 101 101 LYS H H 135 7.867 7.263 0.604 1
1 1138 . 3 1 1 A 101 101 LYS HA H 135 4.470 4.413 0.057 1
1 1147 . 3 1 1 A 101 101 LYS CA C 135 52.490 55.660 -3.170 1
1 1148 . 3 1 1 A 101 101 LYS CB C 135 30.600 33.567 -2.967 1
1 1152 . 3 1 1 A 101 101 LYS N N 135 121.053 119.487 1.566 1
1 1153 . 3 1 1 A 102 102 ARG H H 136 7.077 7.559 -0.482 1
1 1154 . 3 1 1 A 102 102 ARG HA H 136 4.110 4.781 -0.671 1
1 1165 . 3 1 1 A 102 102 ARG CA C 136 55.440 54.143 1.297 1
1 1166 . 3 1 1 A 102 102 ARG CB C 136 29.100 32.978 -3.878 1
1 1169 . 3 1 1 A 102 102 ARG N N 136 121.944 120.174 1.770 1
1 1170 . 3 1 1 A 103 103 ARG H H 137 8.289 8.441 -0.152 1
1 1171 . 3 1 1 A 103 103 ARG HA H 137 4.274 4.349 -0.075 1
1 1182 . 3 1 1 A 103 103 ARG CA C 137 54.100 56.087 -1.987 1
1 1183 . 3 1 1 A 103 103 ARG CB C 137 29.700 30.425 -0.725 1
1 1186 . 3 1 1 A 103 103 ARG N N 137 123.504 121.878 1.626 1
1 1187 . 3 1 1 A 104 104 HIS H H 138 8.370 9.005 -0.635 1
1 1188 . 3 1 1 A 104 104 HIS HA H 138 4.662 4.863 -0.201 1
1 1192 . 3 1 1 A 104 104 HIS CA C 138 54.110 55.340 -1.230 1
1 1193 . 3 1 1 A 104 104 HIS CB C 138 28.730 32.153 -3.423 1
1 1 . 4 1 1 A 6 6 ASP HA H 40 4.430 4.972 -0.542 1
1 2 . 4 1 1 A 7 7 ASP H H 41 8.479 8.825 -0.346 1
1 3 . 4 1 1 A 7 7 ASP HA H 41 4.640 5.383 -0.743 1
1 6 . 4 1 1 A 7 7 ASP CA C 41 52.900 52.607 0.293 1
1 7 . 4 1 1 A 7 7 ASP CB C 41 39.760 42.450 -2.690 1
1 8 . 4 1 1 A 7 7 ASP N N 41 124.447 124.178 0.269 1
1 9 . 4 1 1 A 8 8 VAL H H 42 7.916 9.002 -1.086 1
1 10 . 4 1 1 A 8 8 VAL HA H 42 4.142 4.678 -0.536 1
1 18 . 4 1 1 A 8 8 VAL CA C 42 60.460 61.214 -0.754 1
1 19 . 4 1 1 A 8 8 VAL CB C 42 31.579 33.820 -2.241 1
1 22 . 4 1 1 A 8 8 VAL N N 42 120.853 125.100 -4.247 1
1 23 . 4 1 1 A 9 9 GLU H H 43 8.476 9.051 -0.575 1
1 24 . 4 1 1 A 9 9 GLU HA H 43 4.290 5.206 -0.916 1
1 29 . 4 1 1 A 9 9 GLU CA C 43 55.300 54.977 0.323 1
1 30 . 4 1 1 A 9 9 GLU CB C 43 29.120 32.517 -3.397 1
1 32 . 4 1 1 A 9 9 GLU N N 43 127.650 123.973 3.677 1
1 33 . 4 1 1 A 10 10 TRP H H 44 8.839 9.014 -0.175 1
1 34 . 4 1 1 A 10 10 TRP HA H 44 5.230 5.008 0.222 1
1 43 . 4 1 1 A 10 10 TRP CA C 44 54.430 55.879 -1.449 1
1 44 . 4 1 1 A 10 10 TRP CB C 44 27.230 30.149 -2.919 1
1 50 . 4 1 1 A 10 10 TRP N N 44 126.378 126.613 -0.235 1
1 51 . 4 1 1 A 11 11 VAL H H 45 9.230 8.527 0.703 1
1 52 . 4 1 1 A 11 11 VAL HA H 45 3.891 3.760 0.131 1
1 60 . 4 1 1 A 11 11 VAL CA C 45 63.500 64.708 -1.208 1
1 61 . 4 1 1 A 11 11 VAL CB C 45 30.420 31.134 -0.714 1
1 64 . 4 1 1 A 11 11 VAL N N 45 131.353 125.712 5.641 1
1 65 . 4 1 1 A 12 12 VAL H H 46 5.020 6.954 -1.934 1
1 66 . 4 1 1 A 12 12 VAL HA H 46 3.040 3.400 -0.360 1
1 74 . 4 1 1 A 12 12 VAL CA C 46 60.690 65.716 -5.026 1
1 75 . 4 1 1 A 12 12 VAL CB C 46 29.280 30.186 -0.906 1
1 78 . 4 1 1 A 13 13 GLY H H 47 7.330 8.113 -0.783 1
1 79 . 4 1 1 A 13 13 GLY HA2 H 47 3.590 3.920 -0.330 1
1 80 . 4 1 1 A 13 13 GLY HA3 H 47 4.180 3.963 0.217 1
1 81 . 4 1 1 A 13 13 GLY CA C 47 46.400 46.585 -0.185 1
1 82 . 4 1 1 A 14 14 LYS H H 48 7.570 7.514 0.056 1
1 83 . 4 1 1 A 14 14 LYS HA H 48 4.066 4.038 0.028 1
1 92 . 4 1 1 A 14 14 LYS CA C 48 57.337 58.898 -1.561 1
1 93 . 4 1 1 A 14 14 LYS CB C 48 30.490 32.676 -2.186 1
1 97 . 4 1 1 A 14 14 LYS N N 48 121.084 120.396 0.688 1
1 98 . 4 1 1 A 15 15 ASP H H 49 7.309 7.589 -0.280 1
1 99 . 4 1 1 A 15 15 ASP HA H 49 4.770 4.754 0.016 1
1 102 . 4 1 1 A 15 15 ASP CA C 49 52.880 53.102 -0.222 1
1 103 . 4 1 1 A 15 15 ASP CB C 49 41.910 41.808 0.102 1
1 104 . 4 1 1 A 15 15 ASP N N 49 118.181 116.382 1.799 1
1 105 . 4 1 1 A 16 16 LYS H H 50 7.506 7.614 -0.108 1
1 106 . 4 1 1 A 16 16 LYS HA H 50 4.059 4.067 -0.008 1
1 115 . 4 1 1 A 16 16 LYS CA C 50 60.180 61.326 -1.146 1
1 116 . 4 1 1 A 16 16 LYS CB C 50 30.193 30.722 -0.529 1
1 120 . 4 1 1 A 16 16 LYS N N 50 123.633 120.828 2.805 1
1 121 . 4 1 1 A 17 17 PRO HA H 51 4.430 4.379 0.051 1
1 128 . 4 1 1 A 17 17 PRO CA C 51 65.660 65.413 0.247 1
1 129 . 4 1 1 A 17 17 PRO CB C 51 29.600 30.945 -1.345 1
1 132 . 4 1 1 A 18 18 THR H H 52 7.285 7.528 -0.243 1
1 133 . 4 1 1 A 18 18 THR HA H 52 3.977 4.044 -0.067 1
1 138 . 4 1 1 A 18 18 THR CA C 52 64.330 65.213 -0.883 1
1 139 . 4 1 1 A 18 18 THR CB C 52 67.170 68.186 -1.016 1
1 141 . 4 1 1 A 18 18 THR N N 52 115.095 112.200 2.895 1
1 142 . 4 1 1 A 19 19 TYR H H 53 7.083 7.006 0.077 1
1 143 . 4 1 1 A 19 19 TYR HA H 53 4.728 4.378 0.350 1
1 150 . 4 1 1 A 19 19 TYR CA C 53 57.110 62.029 -4.919 1
1 151 . 4 1 1 A 19 19 TYR CB C 53 35.130 37.175 -2.045 1
1 156 . 4 1 1 A 19 19 TYR N N 53 125.380 119.905 5.475 1
1 157 . 4 1 1 A 20 20 ASP H H 54 9.596 8.599 0.997 1
1 158 . 4 1 1 A 20 20 ASP HA H 54 4.512 4.587 -0.075 1
1 161 . 4 1 1 A 20 20 ASP CA C 54 55.515 57.827 -2.312 1
1 162 . 4 1 1 A 20 20 ASP CB C 54 38.740 41.602 -2.862 1
1 163 . 4 1 1 A 20 20 ASP N N 54 124.548 121.952 2.596 1
1 164 . 4 1 1 A 21 21 GLU H H 55 7.309 8.261 -0.952 1
1 165 . 4 1 1 A 21 21 GLU HA H 55 4.150 4.195 -0.045 1
1 170 . 4 1 1 A 21 21 GLU CA C 55 58.100 59.329 -1.229 1
1 171 . 4 1 1 A 21 21 GLU CB C 55 28.500 29.635 -1.135 1
1 173 . 4 1 1 A 21 21 GLU N N 55 118.181 119.296 -1.115 1
1 174 . 4 1 1 A 22 22 ILE H H 56 7.249 7.969 -0.720 1
1 175 . 4 1 1 A 22 22 ILE HA H 56 3.946 4.000 -0.054 1
1 185 . 4 1 1 A 22 22 ILE CA C 56 62.300 63.988 -1.688 1
1 186 . 4 1 1 A 22 22 ILE CB C 56 37.597 36.661 0.936 1
1 190 . 4 1 1 A 22 22 ILE N N 56 118.978 120.878 -1.900 1
1 191 . 4 1 1 A 23 23 PHE H H 57 9.117 8.377 0.740 1
1 192 . 4 1 1 A 23 23 PHE HA H 57 3.094 3.857 -0.763 1
1 200 . 4 1 1 A 23 23 PHE CA C 57 61.330 61.547 -0.217 1
1 201 . 4 1 1 A 23 23 PHE CB C 57 38.250 39.126 -0.876 1
1 207 . 4 1 1 A 23 23 PHE N N 57 127.639 122.303 5.336 1
1 208 . 4 1 1 A 24 24 TYR H H 58 7.922 8.329 -0.407 1
1 209 . 4 1 1 A 24 24 TYR HA H 58 4.000 4.205 -0.205 1
1 216 . 4 1 1 A 24 24 TYR CA C 58 60.480 61.326 -0.846 1
1 217 . 4 1 1 A 24 24 TYR CB C 58 36.086 38.029 -1.943 1
1 222 . 4 1 1 A 24 24 TYR N N 58 112.757 116.457 -3.700 1
1 223 . 4 1 1 A 25 25 THR H H 59 8.087 8.059 0.028 1
1 224 . 4 1 1 A 25 25 THR HA H 59 4.650 4.324 0.326 1
1 230 . 4 1 1 A 25 25 THR CA C 59 61.770 63.957 -2.187 1
1 231 . 4 1 1 A 25 25 THR CB C 59 68.900 69.021 -0.121 1
1 233 . 4 1 1 A 25 25 THR N N 59 112.676 113.343 -0.667 1
1 234 . 4 1 1 A 26 26 LEU H H 60 7.381 7.193 0.188 1
1 235 . 4 1 1 A 26 26 LEU HA H 60 4.470 4.326 0.144 1
1 245 . 4 1 1 A 26 26 LEU CA C 60 52.500 54.080 -1.580 1
1 246 . 4 1 1 A 26 26 LEU CB C 60 38.700 41.891 -3.191 1
1 250 . 4 1 1 A 26 26 LEU N N 60 125.808 120.637 5.171 1
1 251 . 4 1 1 A 27 27 SER H H 61 7.870 7.562 0.308 1
1 252 . 4 1 1 A 27 27 SER HA H 61 3.980 4.030 -0.050 1
1 255 . 4 1 1 A 27 27 SER CA C 61 56.300 58.954 -2.654 1
1 256 . 4 1 1 A 27 27 SER CB C 61 60.230 61.551 -1.321 1
1 257 . 4 1 1 A 27 27 SER N N 61 111.582 114.236 -2.654 1
1 258 . 4 1 1 A 28 28 PRO HA H 62 4.200 4.584 -0.384 1
1 265 . 4 1 1 A 28 28 PRO CA C 62 61.600 62.000 -0.400 1
1 266 . 4 1 1 A 28 28 PRO CB C 62 29.890 31.538 -1.648 1
1 269 . 4 1 1 A 29 29 VAL H H 63 8.744 8.321 0.423 1
1 270 . 4 1 1 A 29 29 VAL HA H 63 4.180 4.263 -0.083 1
1 278 . 4 1 1 A 29 29 VAL CA C 63 60.660 61.797 -1.137 1
1 279 . 4 1 1 A 29 29 VAL CB C 63 32.878 32.527 0.351 1
1 282 . 4 1 1 A 29 29 VAL N N 63 124.299 122.991 1.308 1
1 283 . 4 1 1 A 30 30 ASN H H 64 9.713 9.507 0.206 1
1 284 . 4 1 1 A 30 30 ASN HA H 64 4.420 4.462 -0.042 1
1 289 . 4 1 1 A 30 30 ASN CA C 64 52.940 54.484 -1.544 1
1 290 . 4 1 1 A 30 30 ASN CB C 64 36.300 37.011 -0.711 1
1 291 . 4 1 1 A 30 30 ASN N N 64 129.729 126.924 2.805 1
1 293 . 4 1 1 A 31 31 GLY H H 65 8.867 8.654 0.213 1
1 294 . 4 1 1 A 31 31 GLY HA2 H 65 3.760 3.891 -0.131 1
1 295 . 4 1 1 A 31 31 GLY HA3 H 65 4.260 3.898 0.362 1
1 296 . 4 1 1 A 31 31 GLY CA C 65 44.260 45.423 -1.163 1
1 297 . 4 1 1 A 31 31 GLY N N 65 130.590 104.903 25.687 1
1 298 . 4 1 1 A 32 32 LYS H H 66 7.501 8.017 -0.516 1
1 299 . 4 1 1 A 32 32 LYS HA H 66 5.410 5.216 0.194 1
1 308 . 4 1 1 A 32 32 LYS CA C 66 53.780 54.390 -0.610 1
1 309 . 4 1 1 A 32 32 LYS CB C 66 36.540 35.428 1.112 1
1 313 . 4 1 1 A 32 32 LYS N N 66 118.738 120.025 -1.287 1
1 314 . 4 1 1 A 33 33 ILE H H 67 9.216 8.599 0.617 1
1 315 . 4 1 1 A 33 33 ILE HA H 67 5.008 4.457 0.551 1
1 325 . 4 1 1 A 33 33 ILE CA C 67 57.470 60.382 -2.912 1
1 326 . 4 1 1 A 33 33 ILE CB C 67 39.700 38.757 0.943 1
1 330 . 4 1 1 A 33 33 ILE N N 67 118.166 120.261 -2.095 1
1 331 . 4 1 1 A 34 34 THR H H 68 8.255 8.035 0.220 1
1 332 . 4 1 1 A 34 34 THR HA H 68 4.548 4.686 -0.138 1
1 338 . 4 1 1 A 34 34 THR CA C 68 58.970 60.283 -1.313 1
1 339 . 4 1 1 A 34 34 THR CB C 68 69.762 71.082 -1.320 1
1 341 . 4 1 1 A 34 34 THR N N 68 111.971 112.680 -0.709 1
1 342 . 4 1 1 A 35 35 GLY H H 69 8.940 8.917 0.023 1
1 343 . 4 1 1 A 35 35 GLY HA2 H 69 3.630 3.635 -0.005 1
1 344 . 4 1 1 A 35 35 GLY HA3 H 69 3.900 3.829 0.071 1
1 345 . 4 1 1 A 35 35 GLY CA C 69 46.900 47.248 -0.348 1
1 346 . 4 1 1 A 35 35 GLY N N 69 110.161 109.328 0.833 1
1 347 . 4 1 1 A 36 36 ALA H H 70 8.265 8.038 0.227 1
1 348 . 4 1 1 A 36 36 ALA HA H 70 3.870 3.968 -0.098 1
1 352 . 4 1 1 A 36 36 ALA CA C 70 53.700 54.886 -1.186 1
1 353 . 4 1 1 A 36 36 ALA CB C 70 17.080 18.010 -0.930 1
1 354 . 4 1 1 A 36 36 ALA N N 70 123.384 124.711 -1.327 1
1 355 . 4 1 1 A 37 37 ASN H H 71 7.574 7.933 -0.359 1
1 356 . 4 1 1 A 37 37 ASN HA H 71 4.690 4.558 0.132 1
1 361 . 4 1 1 A 37 37 ASN CA C 71 54.000 55.790 -1.790 1
1 362 . 4 1 1 A 37 37 ASN CB C 71 36.300 38.354 -2.054 1
1 363 . 4 1 1 A 37 37 ASN N N 71 118.852 116.921 1.931 1
1 365 . 4 1 1 A 38 38 ALA H H 72 8.853 7.880 0.973 1
1 366 . 4 1 1 A 38 38 ALA HA H 72 4.108 4.201 -0.093 1
1 370 . 4 1 1 A 38 38 ALA CA C 72 54.450 55.011 -0.561 1
1 371 . 4 1 1 A 38 38 ALA CB C 72 17.970 18.445 -0.475 1
1 372 . 4 1 1 A 38 38 ALA N N 72 123.903 122.636 1.267 1
1 373 . 4 1 1 A 39 39 LYS H H 73 8.837 7.952 0.885 1
1 374 . 4 1 1 A 39 39 LYS HA H 73 3.970 4.033 -0.063 1
1 383 . 4 1 1 A 39 39 LYS CA C 73 59.130 59.593 -0.463 1
1 384 . 4 1 1 A 39 39 LYS CB C 73 30.880 32.047 -1.167 1
1 388 . 4 1 1 A 39 39 LYS N N 73 120.578 118.374 2.204 1
1 389 . 4 1 1 A 40 40 LYS H H 74 7.209 8.082 -0.873 1
1 390 . 4 1 1 A 40 40 LYS HA H 74 3.988 4.049 -0.061 1
1 399 . 4 1 1 A 40 40 LYS CA C 74 58.130 59.345 -1.215 1
1 400 . 4 1 1 A 40 40 LYS CB C 74 30.900 32.346 -1.446 1
1 404 . 4 1 1 A 40 40 LYS N N 74 117.823 118.060 -0.237 1
1 405 . 4 1 1 A 41 41 GLU H H 75 7.089 8.035 -0.946 1
1 406 . 4 1 1 A 41 41 GLU HA H 75 4.450 4.107 0.343 1
1 411 . 4 1 1 A 41 41 GLU CA C 75 56.160 59.580 -3.420 1
1 412 . 4 1 1 A 41 41 GLU CB C 75 28.900 29.261 -0.361 1
1 414 . 4 1 1 A 41 41 GLU N N 75 117.306 119.533 -2.227 1
1 415 . 4 1 1 A 42 42 MET H H 76 8.854 8.178 0.676 1
1 416 . 4 1 1 A 42 42 MET HA H 76 4.010 4.227 -0.217 1
1 424 . 4 1 1 A 42 42 MET CA C 76 58.600 58.784 -0.184 1
1 425 . 4 1 1 A 42 42 MET CB C 76 33.770 31.532 2.238 1
1 428 . 4 1 1 A 42 42 MET N N 76 121.769 118.832 2.937 1
1 429 . 4 1 1 A 43 43 VAL H H 77 8.799 7.992 0.807 1
1 430 . 4 1 1 A 43 43 VAL HA H 77 4.110 3.654 0.456 1
1 438 . 4 1 1 A 43 43 VAL CA C 77 63.490 66.825 -3.335 1
1 439 . 4 1 1 A 43 43 VAL CB C 77 30.470 31.546 -1.076 1
1 442 . 4 1 1 A 43 43 VAL N N 77 116.182 120.606 -4.424 1
1 443 . 4 1 1 A 44 44 LYS H H 78 7.498 8.372 -0.874 1
1 444 . 4 1 1 A 44 44 LYS HA H 78 4.130 4.239 -0.109 1
1 453 . 4 1 1 A 44 44 LYS CA C 78 57.670 58.773 -1.103 1
1 454 . 4 1 1 A 44 44 LYS CB C 78 30.990 32.272 -1.282 1
1 458 . 4 1 1 A 44 44 LYS N N 78 124.581 120.298 4.283 1
1 459 . 4 1 1 A 45 45 SER H H 79 7.508 7.483 0.025 1
1 460 . 4 1 1 A 45 45 SER HA H 79 4.068 4.487 -0.419 1
1 463 . 4 1 1 A 45 45 SER CA C 79 59.440 58.463 0.977 1
1 464 . 4 1 1 A 45 45 SER CB C 79 64.580 63.361 1.219 1
1 465 . 4 1 1 A 45 45 SER N N 79 114.450 112.452 1.998 1
1 466 . 4 1 1 A 46 46 LYS H H 80 7.802 7.789 0.013 1
1 467 . 4 1 1 A 46 46 LYS HA H 80 3.920 3.981 -0.061 1
1 476 . 4 1 1 A 46 46 LYS CA C 80 56.810 57.785 -0.975 1
1 477 . 4 1 1 A 46 46 LYS CB C 80 27.840 29.376 -1.536 1
1 481 . 4 1 1 A 46 46 LYS N N 80 114.720 117.878 -3.158 1
1 482 . 4 1 1 A 47 47 LEU H H 81 7.468 7.336 0.132 1
1 483 . 4 1 1 A 47 47 LEU HA H 81 4.480 4.497 -0.017 1
1 493 . 4 1 1 A 47 47 LEU CA C 81 52.000 52.508 -0.508 1
1 494 . 4 1 1 A 47 47 LEU CB C 81 40.400 41.370 -0.970 1
1 498 . 4 1 1 A 47 47 LEU N N 81 122.848 120.220 2.628 1
1 499 . 4 1 1 A 48 48 PRO HA H 82 4.510 4.558 -0.048 1
1 506 . 4 1 1 A 48 48 PRO CA C 82 60.910 62.887 -1.977 1
1 507 . 4 1 1 A 48 48 PRO CB C 82 31.550 32.772 -1.222 1
1 510 . 4 1 1 A 49 49 ASN H H 83 7.580 8.668 -1.088 1
1 511 . 4 1 1 A 49 49 ASN HA H 83 4.220 4.385 -0.165 1
1 516 . 4 1 1 A 49 49 ASN CA C 83 56.000 56.238 -0.238 1
1 517 . 4 1 1 A 49 49 ASN CB C 83 36.900 38.292 -1.392 1
1 519 . 4 1 1 A 50 50 THR H H 84 7.270 8.072 -0.802 1
1 520 . 4 1 1 A 50 50 THR HA H 84 4.000 3.953 0.047 1
1 525 . 4 1 1 A 50 50 THR CA C 84 63.474 67.214 -3.740 1
1 526 . 4 1 1 A 50 50 THR CB C 84 66.950 68.707 -1.757 1
1 528 . 4 1 1 A 51 51 VAL H H 85 6.827 8.211 -1.384 1
1 529 . 4 1 1 A 51 51 VAL HA H 85 3.620 3.767 -0.147 1
1 537 . 4 1 1 A 51 51 VAL CA C 85 64.100 67.052 -2.952 1
1 538 . 4 1 1 A 51 51 VAL CB C 85 30.500 31.687 -1.187 1
1 541 . 4 1 1 A 51 51 VAL N N 85 124.677 122.314 2.363 1
1 542 . 4 1 1 A 52 52 LEU H H 86 7.912 8.338 -0.426 1
1 543 . 4 1 1 A 52 52 LEU HA H 86 3.560 4.060 -0.500 1
1 553 . 4 1 1 A 52 52 LEU CA C 86 56.600 58.456 -1.856 1
1 554 . 4 1 1 A 52 52 LEU CB C 86 38.090 41.766 -3.676 1
1 558 . 4 1 1 A 52 52 LEU N N 86 121.680 120.418 1.262 1
1 559 . 4 1 1 A 53 53 GLY H H 87 8.429 8.513 -0.084 1
1 560 . 4 1 1 A 53 53 GLY HA2 H 87 3.940 3.792 0.148 1
1 561 . 4 1 1 A 53 53 GLY HA3 H 87 4.130 3.826 0.304 1
1 562 . 4 1 1 A 53 53 GLY CA C 87 46.200 47.215 -1.015 1
1 563 . 4 1 1 A 53 53 GLY N N 87 107.113 106.345 0.768 1
1 564 . 4 1 1 A 54 54 LYS H H 88 7.260 7.995 -0.735 1
1 565 . 4 1 1 A 54 54 LYS HA H 88 4.150 4.031 0.119 1
1 574 . 4 1 1 A 54 54 LYS CA C 88 57.890 59.451 -1.561 1
1 575 . 4 1 1 A 54 54 LYS CB C 88 31.000 32.428 -1.428 1
1 579 . 4 1 1 A 54 54 LYS N N 88 124.980 121.717 3.263 1
1 580 . 4 1 1 A 55 55 ILE H H 89 8.019 8.145 -0.126 1
1 581 . 4 1 1 A 55 55 ILE HA H 89 3.476 3.714 -0.238 1
1 591 . 4 1 1 A 55 55 ILE CA C 89 65.360 64.953 0.407 1
1 592 . 4 1 1 A 55 55 ILE CB C 89 36.300 37.426 -1.126 1
1 596 . 4 1 1 A 55 55 ILE N N 89 122.812 119.306 3.506 1
1 597 . 4 1 1 A 56 56 TRP H H 90 8.911 8.624 0.287 1
1 598 . 4 1 1 A 56 56 TRP HA H 90 3.810 4.204 -0.394 1
1 607 . 4 1 1 A 56 56 TRP CA C 90 60.260 60.474 -0.214 1
1 608 . 4 1 1 A 56 56 TRP CB C 90 27.000 29.922 -2.922 1
1 614 . 4 1 1 A 56 56 TRP N N 90 121.947 122.503 -0.556 1
1 616 . 4 1 1 A 57 57 LYS H H 91 7.577 8.364 -0.787 1
1 617 . 4 1 1 A 57 57 LYS HA H 91 4.010 4.134 -0.124 1
1 626 . 4 1 1 A 57 57 LYS CA C 91 57.890 58.875 -0.985 1
1 627 . 4 1 1 A 57 57 LYS CB C 91 31.300 32.120 -0.820 1
1 631 . 4 1 1 A 57 57 LYS N N 91 117.344 119.474 -2.130 1
1 632 . 4 1 1 A 58 58 LEU H H 92 7.571 7.522 0.049 1
1 633 . 4 1 1 A 58 58 LEU HA H 92 3.995 4.154 -0.159 1
1 643 . 4 1 1 A 58 58 LEU CA C 92 55.780 57.556 -1.776 1
1 644 . 4 1 1 A 58 58 LEU CB C 92 42.270 42.190 0.080 1
1 648 . 4 1 1 A 58 58 LEU N N 92 119.520 119.652 -0.132 1
1 649 . 4 1 1 A 59 59 ALA H H 93 8.135 8.489 -0.354 1
1 650 . 4 1 1 A 59 59 ALA HA H 93 4.150 4.145 0.005 1
1 654 . 4 1 1 A 59 59 ALA CA C 93 52.400 55.006 -2.606 1
1 655 . 4 1 1 A 59 59 ALA CB C 93 17.700 18.301 -0.601 1
1 656 . 4 1 1 A 59 59 ALA N N 93 120.351 120.712 -0.361 1
1 657 . 4 1 1 A 60 60 ASP H H 94 7.733 7.645 0.088 1
1 658 . 4 1 1 A 60 60 ASP HA H 94 4.560 4.353 0.207 1
1 661 . 4 1 1 A 60 60 ASP CA C 94 50.550 53.565 -3.015 1
1 662 . 4 1 1 A 60 60 ASP CB C 94 35.220 39.876 -4.656 1
1 663 . 4 1 1 A 60 60 ASP N N 94 115.750 117.214 -1.464 1
1 664 . 4 1 1 A 61 61 VAL H H 95 8.358 8.189 0.169 1
1 665 . 4 1 1 A 61 61 VAL HA H 95 3.500 3.681 -0.181 1
1 673 . 4 1 1 A 61 61 VAL CA C 95 64.360 66.105 -1.745 1
1 674 . 4 1 1 A 61 61 VAL CB C 95 31.330 31.684 -0.354 1
1 677 . 4 1 1 A 61 61 VAL N N 95 129.465 124.438 5.027 1
1 678 . 4 1 1 A 62 62 ASP H H 96 7.910 7.852 0.058 1
1 679 . 4 1 1 A 62 62 ASP HA H 96 4.530 4.517 0.013 1
1 682 . 4 1 1 A 62 62 ASP CA C 96 51.630 53.873 -2.243 1
1 683 . 4 1 1 A 62 62 ASP CB C 96 38.300 40.987 -2.687 1
1 684 . 4 1 1 A 62 62 ASP N N 96 115.789 117.044 -1.255 1
1 685 . 4 1 1 A 63 63 LYS H H 97 7.590 7.712 -0.122 1
1 686 . 4 1 1 A 63 63 LYS HA H 97 3.850 4.539 -0.689 1
1 695 . 4 1 1 A 63 63 LYS CA C 97 56.450 57.356 -0.906 1
1 696 . 4 1 1 A 63 63 LYS CB C 97 28.000 29.183 -1.183 1
1 700 . 4 1 1 A 63 63 LYS N N 97 115.885 115.307 0.578 1
1 701 . 4 1 1 A 64 64 ASP H H 98 8.379 7.948 0.431 1
1 702 . 4 1 1 A 64 64 ASP HA H 98 4.707 4.683 0.024 1
1 705 . 4 1 1 A 64 64 ASP CA C 98 52.060 52.991 -0.931 1
1 706 . 4 1 1 A 64 64 ASP CB C 98 39.500 40.359 -0.859 1
1 707 . 4 1 1 A 64 64 ASP N N 98 119.948 118.565 1.383 1
1 708 . 4 1 1 A 65 65 GLY H H 99 10.740 8.955 1.785 1
1 709 . 4 1 1 A 65 65 GLY HA2 H 99 3.990 4.009 -0.019 1
1 710 . 4 1 1 A 65 65 GLY HA3 H 99 4.360 4.174 0.186 1
1 711 . 4 1 1 A 65 65 GLY CA C 99 45.160 46.136 -0.976 1
1 712 . 4 1 1 A 65 65 GLY N N 99 115.529 111.808 3.721 1
1 713 . 4 1 1 A 66 66 LEU H H 100 8.197 7.816 0.381 1
1 714 . 4 1 1 A 66 66 LEU HA H 100 5.180 5.133 0.047 1
1 724 . 4 1 1 A 66 66 LEU CA C 100 52.200 53.143 -0.943 1
1 725 . 4 1 1 A 66 66 LEU CB C 100 44.290 46.206 -1.916 1
1 729 . 4 1 1 A 66 66 LEU N N 100 123.347 121.380 1.967 1
1 730 . 4 1 1 A 67 67 LEU H H 101 8.697 8.943 -0.246 1
1 731 . 4 1 1 A 67 67 LEU HA H 101 5.796 4.964 0.832 1
1 741 . 4 1 1 A 67 67 LEU CA C 101 51.600 53.628 -2.028 1
1 742 . 4 1 1 A 67 67 LEU CB C 101 42.100 44.112 -2.012 1
1 746 . 4 1 1 A 67 67 LEU N N 101 121.209 121.623 -0.414 1
1 747 . 4 1 1 A 68 68 ASP H H 102 9.241 8.345 0.896 1
1 748 . 4 1 1 A 68 68 ASP HA H 102 5.620 4.861 0.759 1
1 751 . 4 1 1 A 68 68 ASP CA C 102 50.980 52.690 -1.710 1
1 752 . 4 1 1 A 68 68 ASP CB C 102 39.750 41.253 -1.503 1
1 753 . 4 1 1 A 68 68 ASP N N 102 124.386 125.549 -1.163 1
1 754 . 4 1 1 A 69 69 ASP H H 103 8.523 8.602 -0.079 1
1 755 . 4 1 1 A 69 69 ASP HA H 103 2.830 3.324 -0.494 1
1 758 . 4 1 1 A 69 69 ASP CA C 103 56.160 55.867 0.293 1
1 759 . 4 1 1 A 69 69 ASP CB C 103 37.160 39.479 -2.319 1
1 760 . 4 1 1 A 69 69 ASP N N 103 117.349 118.105 -0.756 1
1 761 . 4 1 1 A 70 70 GLU H H 104 8.003 8.184 -0.181 1
1 762 . 4 1 1 A 70 70 GLU HA H 104 4.075 4.298 -0.223 1
1 767 . 4 1 1 A 70 70 GLU CA C 104 58.950 59.253 -0.303 1
1 768 . 4 1 1 A 70 70 GLU CB C 104 29.134 29.557 -0.423 1
1 770 . 4 1 1 A 70 70 GLU N N 104 124.806 120.017 4.789 1
1 771 . 4 1 1 A 71 71 GLU H H 105 8.758 7.812 0.946 1
1 772 . 4 1 1 A 71 71 GLU HA H 105 4.030 4.071 -0.041 1
1 777 . 4 1 1 A 71 71 GLU CA C 105 58.570 59.052 -0.482 1
1 778 . 4 1 1 A 71 71 GLU CB C 105 30.270 29.405 0.865 1
1 780 . 4 1 1 A 71 71 GLU N N 105 123.541 121.141 2.400 1
1 781 . 4 1 1 A 72 72 PHE H H 106 9.416 8.723 0.693 1
1 782 . 4 1 1 A 72 72 PHE HA H 106 4.230 4.111 0.119 1
1 790 . 4 1 1 A 72 72 PHE CA C 106 60.000 61.564 -1.564 1
1 791 . 4 1 1 A 72 72 PHE CB C 106 38.440 38.850 -0.410 1
1 797 . 4 1 1 A 72 72 PHE N N 106 120.706 122.320 -1.614 1
1 798 . 4 1 1 A 73 73 ALA H H 107 8.085 8.186 -0.101 1
1 799 . 4 1 1 A 73 73 ALA HA H 107 3.778 3.830 -0.052 1
1 803 . 4 1 1 A 73 73 ALA CA C 107 54.010 55.146 -1.136 1
1 804 . 4 1 1 A 73 73 ALA CB C 107 16.691 18.091 -1.400 1
1 805 . 4 1 1 A 73 73 ALA N N 107 126.845 121.297 5.548 1
1 806 . 4 1 1 A 74 74 LEU H H 108 8.443 8.061 0.382 1
1 807 . 4 1 1 A 74 74 LEU HA H 108 4.048 4.019 0.029 1
1 817 . 4 1 1 A 74 74 LEU CA C 108 56.811 57.809 -0.998 1
1 818 . 4 1 1 A 74 74 LEU CB C 108 41.090 41.540 -0.450 1
1 822 . 4 1 1 A 74 74 LEU N N 108 121.249 120.108 1.141 1
1 823 . 4 1 1 A 75 75 ALA H H 109 8.677 8.159 0.518 1
1 824 . 4 1 1 A 75 75 ALA HA H 109 3.648 3.949 -0.301 1
1 828 . 4 1 1 A 75 75 ALA CA C 109 54.220 55.655 -1.435 1
1 829 . 4 1 1 A 75 75 ALA CB C 109 15.367 18.070 -2.703 1
1 830 . 4 1 1 A 75 75 ALA N N 109 122.981 120.902 2.079 1
1 831 . 4 1 1 A 76 76 ASN H H 110 7.270 7.985 -0.715 1
1 832 . 4 1 1 A 76 76 ASN HA H 110 3.800 4.142 -0.342 1
1 837 . 4 1 1 A 76 76 ASN CA C 110 55.500 56.025 -0.525 1
1 838 . 4 1 1 A 76 76 ASN CB C 110 36.610 37.339 -0.729 1
1 839 . 4 1 1 A 76 76 ASN N N 110 115.791 116.725 -0.934 1
1 841 . 4 1 1 A 77 77 HIS H H 111 8.363 7.449 0.914 1
1 842 . 4 1 1 A 77 77 HIS HA H 111 4.092 4.133 -0.041 1
1 847 . 4 1 1 A 77 77 HIS CA C 111 59.180 59.345 -0.165 1
1 848 . 4 1 1 A 77 77 HIS CB C 111 30.420 29.707 0.713 1
1 851 . 4 1 1 A 77 77 HIS N N 111 124.686 120.763 3.923 1
1 852 . 4 1 1 A 78 78 LEU H H 112 8.278 8.383 -0.105 1
1 853 . 4 1 1 A 78 78 LEU HA H 112 3.820 3.875 -0.055 1
1 863 . 4 1 1 A 78 78 LEU CA C 112 56.115 57.804 -1.689 1
1 864 . 4 1 1 A 78 78 LEU CB C 112 41.000 41.369 -0.369 1
1 868 . 4 1 1 A 78 78 LEU N N 112 119.085 119.293 -0.208 1
1 869 . 4 1 1 A 79 79 ILE H H 113 7.799 8.049 -0.250 1
1 870 . 4 1 1 A 79 79 ILE HA H 113 3.270 3.595 -0.325 1
1 880 . 4 1 1 A 79 79 ILE CA C 113 65.020 64.512 0.508 1
1 881 . 4 1 1 A 79 79 ILE CB C 113 36.730 36.651 0.079 1
1 885 . 4 1 1 A 79 79 ILE N N 113 121.304 120.322 0.982 1
1 886 . 4 1 1 A 80 80 LYS H H 114 7.546 8.131 -0.585 1
1 887 . 4 1 1 A 80 80 LYS HA H 114 3.820 3.990 -0.170 1
1 896 . 4 1 1 A 80 80 LYS CA C 114 58.970 59.685 -0.715 1
1 897 . 4 1 1 A 80 80 LYS CB C 114 30.470 32.333 -1.863 1
1 901 . 4 1 1 A 80 80 LYS N N 114 122.150 122.167 -0.017 1
1 902 . 4 1 1 A 81 81 VAL H H 115 8.110 7.642 0.468 1
1 903 . 4 1 1 A 81 81 VAL HA H 115 3.736 3.764 -0.028 1
1 911 . 4 1 1 A 81 81 VAL CA C 115 64.500 66.049 -1.549 1
1 912 . 4 1 1 A 81 81 VAL CB C 115 30.050 31.401 -1.351 1
1 915 . 4 1 1 A 81 81 VAL N N 115 118.999 118.357 0.642 1
1 916 . 4 1 1 A 82 82 LYS H H 116 7.853 7.834 0.019 1
1 917 . 4 1 1 A 82 82 LYS HA H 116 4.520 4.148 0.372 1
1 926 . 4 1 1 A 82 82 LYS CA C 116 56.000 59.638 -3.638 1
1 927 . 4 1 1 A 82 82 LYS CB C 116 30.340 32.484 -2.144 1
1 931 . 4 1 1 A 82 82 LYS N N 116 123.030 122.149 0.881 1
1 932 . 4 1 1 A 83 83 LEU H H 117 8.959 8.487 0.472 1
1 933 . 4 1 1 A 83 83 LEU HA H 117 4.080 4.031 0.049 1
1 943 . 4 1 1 A 83 83 LEU CA C 117 56.620 57.272 -0.652 1
1 944 . 4 1 1 A 83 83 LEU CB C 117 40.361 41.137 -0.776 1
1 948 . 4 1 1 A 83 83 LEU N N 117 125.378 119.996 5.382 1
1 949 . 4 1 1 A 84 84 GLU H H 118 7.817 7.831 -0.014 1
1 950 . 4 1 1 A 84 84 GLU HA H 118 4.156 4.361 -0.205 1
1 955 . 4 1 1 A 84 84 GLU CA C 118 55.100 56.368 -1.268 1
1 956 . 4 1 1 A 84 84 GLU CB C 118 28.600 30.007 -1.407 1
1 958 . 4 1 1 A 84 84 GLU N N 118 119.766 117.160 2.606 1
1 959 . 4 1 1 A 85 85 GLY H H 119 7.862 8.389 -0.527 1
1 960 . 4 1 1 A 85 85 GLY HA2 H 119 3.640 3.715 -0.075 1
1 961 . 4 1 1 A 85 85 GLY HA3 H 119 4.140 3.813 0.327 1
1 962 . 4 1 1 A 85 85 GLY CA C 119 43.690 46.089 -2.399 1
1 963 . 4 1 1 A 85 85 GLY N N 119 107.933 108.549 -0.616 1
1 964 . 4 1 1 A 86 86 HIS H H 120 7.714 7.707 0.007 1
1 965 . 4 1 1 A 86 86 HIS HA H 120 4.670 5.088 -0.418 1
1 970 . 4 1 1 A 86 86 HIS CA C 120 53.780 54.591 -0.811 1
1 971 . 4 1 1 A 86 86 HIS CB C 120 29.390 34.602 -5.212 1
1 973 . 4 1 1 A 86 86 HIS N N 120 122.124 116.486 5.638 1
1 974 . 4 1 1 A 87 87 GLU H H 121 8.491 8.941 -0.450 1
1 975 . 4 1 1 A 87 87 GLU HA H 121 4.300 4.971 -0.671 1
1 980 . 4 1 1 A 87 87 GLU CA C 121 54.000 54.979 -0.979 1
1 981 . 4 1 1 A 87 87 GLU CB C 121 29.120 32.541 -3.421 1
1 983 . 4 1 1 A 87 87 GLU N N 121 121.826 119.896 1.930 1
1 984 . 4 1 1 A 88 88 LEU H H 122 8.659 8.612 0.047 1
1 985 . 4 1 1 A 88 88 LEU HA H 122 4.417 4.544 -0.127 1
1 995 . 4 1 1 A 88 88 LEU CA C 122 50.777 53.479 -2.702 1
1 996 . 4 1 1 A 88 88 LEU CB C 122 39.986 41.691 -1.705 1
1 1000 . 4 1 1 A 88 88 LEU N N 122 125.316 123.196 2.120 1
1 1001 . 4 1 1 A 89 89 PRO HA H 123 4.570 4.506 0.064 1
1 1008 . 4 1 1 A 89 89 PRO CA C 123 60.690 63.721 -3.031 1
1 1009 . 4 1 1 A 89 89 PRO CB C 123 30.320 32.112 -1.792 1
1 1012 . 4 1 1 A 90 90 ALA H H 124 8.464 7.948 0.516 1
1 1013 . 4 1 1 A 90 90 ALA HA H 124 4.068 3.950 0.118 1
1 1017 . 4 1 1 A 90 90 ALA CA C 124 52.700 53.558 -0.858 1
1 1018 . 4 1 1 A 90 90 ALA CB C 124 17.760 17.994 -0.234 1
1 1019 . 4 1 1 A 90 90 ALA N N 124 123.603 119.812 3.791 1
1 1020 . 4 1 1 A 91 91 ASP H H 125 7.482 7.809 -0.327 1
1 1021 . 4 1 1 A 91 91 ASP HA H 125 4.630 5.106 -0.476 1
1 1024 . 4 1 1 A 91 91 ASP CA C 125 50.340 52.776 -2.436 1
1 1025 . 4 1 1 A 91 91 ASP CB C 125 42.620 45.147 -2.527 1
1 1026 . 4 1 1 A 91 91 ASP N N 125 115.317 116.062 -0.745 1
1 1027 . 4 1 1 A 92 92 LEU H H 126 8.883 9.022 -0.139 1
1 1028 . 4 1 1 A 92 92 LEU HA H 126 4.196 4.894 -0.698 1
1 1038 . 4 1 1 A 92 92 LEU CA C 126 51.930 51.450 0.480 1
1 1039 . 4 1 1 A 92 92 LEU CB C 126 41.032 42.896 -1.864 1
1 1043 . 4 1 1 A 92 92 LEU N N 126 125.329 122.676 2.653 1
1 1044 . 4 1 1 A 93 93 PRO HA H 127 4.860 4.608 0.252 1
1 1051 . 4 1 1 A 93 93 PRO CA C 127 59.820 61.584 -1.764 1
1 1052 . 4 1 1 A 93 93 PRO CB C 127 29.800 32.244 -2.444 1
1 1055 . 4 1 1 A 94 94 PRO HA H 128 4.220 4.360 -0.140 1
1 1062 . 4 1 1 A 94 94 PRO CA C 128 64.560 64.355 0.205 1
1 1063 . 4 1 1 A 94 94 PRO CB C 128 30.900 31.452 -0.552 1
1 1066 . 4 1 1 A 95 95 HIS H H 129 7.922 7.877 0.045 1
1 1067 . 4 1 1 A 95 95 HIS HA H 129 4.650 4.710 -0.060 1
1 1072 . 4 1 1 A 95 95 HIS CA C 129 56.810 55.715 1.095 1
1 1073 . 4 1 1 A 95 95 HIS CB C 129 28.100 30.855 -2.755 1
1 1076 . 4 1 1 A 95 95 HIS N N 129 112.757 114.910 -2.153 1
1 1077 . 4 1 1 A 96 96 LEU H H 130 7.717 7.665 0.052 1
1 1078 . 4 1 1 A 96 96 LEU HA H 130 4.646 4.505 0.141 1
1 1088 . 4 1 1 A 96 96 LEU CA C 130 52.920 55.613 -2.693 1
1 1089 . 4 1 1 A 96 96 LEU CB C 130 42.210 43.603 -1.393 1
1 1093 . 4 1 1 A 96 96 LEU N N 130 121.128 119.345 1.783 1
1 1094 . 4 1 1 A 97 97 VAL H H 131 7.173 7.170 0.003 1
1 1095 . 4 1 1 A 97 97 VAL HA H 131 3.720 4.367 -0.647 1
1 1103 . 4 1 1 A 97 97 VAL CA C 131 60.520 60.439 0.081 1
1 1104 . 4 1 1 A 97 97 VAL CB C 131 31.310 32.211 -0.901 1
1 1107 . 4 1 1 A 97 97 VAL N N 131 125.460 120.975 4.485 1
1 1108 . 4 1 1 A 98 98 PRO HA H 132 2.720 3.432 -0.712 1
1 1115 . 4 1 1 A 98 98 PRO CA C 132 59.400 60.943 -1.543 1
1 1116 . 4 1 1 A 98 98 PRO CB C 132 30.250 31.516 -1.266 1
1 1119 . 4 1 1 A 99 99 PRO HA H 133 3.610 4.119 -0.509 1
1 1126 . 4 1 1 A 99 99 PRO CA C 133 64.760 64.614 0.146 1
1 1127 . 4 1 1 A 99 99 PRO CB C 133 30.770 31.611 -0.841 1
1 1130 . 4 1 1 A 100 100 SER H H 134 9.222 8.025 1.197 1
1 1131 . 4 1 1 A 100 100 SER HA H 134 4.140 4.243 -0.103 1
1 1134 . 4 1 1 A 100 100 SER CA C 134 59.660 59.821 -0.161 1
1 1135 . 4 1 1 A 100 100 SER CB C 134 61.320 62.520 -1.200 1
1 1136 . 4 1 1 A 100 100 SER N N 134 115.005 111.849 3.156 1
1 1137 . 4 1 1 A 101 101 LYS H H 135 7.867 7.625 0.242 1
1 1138 . 4 1 1 A 101 101 LYS HA H 135 4.470 4.510 -0.040 1
1 1147 . 4 1 1 A 101 101 LYS CA C 135 52.490 55.075 -2.585 1
1 1148 . 4 1 1 A 101 101 LYS CB C 135 30.600 32.253 -1.653 1
1 1152 . 4 1 1 A 101 101 LYS N N 135 121.053 117.380 3.673 1
1 1153 . 4 1 1 A 102 102 ARG H H 136 7.077 7.279 -0.202 1
1 1154 . 4 1 1 A 102 102 ARG HA H 136 4.110 4.734 -0.624 1
1 1165 . 4 1 1 A 102 102 ARG CA C 136 55.440 54.639 0.801 1
1 1166 . 4 1 1 A 102 102 ARG CB C 136 29.100 32.022 -2.922 1
1 1169 . 4 1 1 A 102 102 ARG N N 136 121.944 119.287 2.657 1
1 1170 . 4 1 1 A 103 103 ARG H H 137 8.289 8.660 -0.371 1
1 1171 . 4 1 1 A 103 103 ARG HA H 137 4.274 4.607 -0.333 1
1 1182 . 4 1 1 A 103 103 ARG CA C 137 54.100 55.706 -1.606 1
1 1183 . 4 1 1 A 103 103 ARG CB C 137 29.700 30.836 -1.136 1
1 1186 . 4 1 1 A 103 103 ARG N N 137 123.504 123.352 0.152 1
1 1187 . 4 1 1 A 104 104 HIS H H 138 8.370 8.755 -0.385 1
1 1188 . 4 1 1 A 104 104 HIS HA H 138 4.662 5.102 -0.440 1
1 1192 . 4 1 1 A 104 104 HIS CA C 138 54.110 54.360 -0.250 1
1 1193 . 4 1 1 A 104 104 HIS CB C 138 28.730 32.794 -4.064 1
1 1 . 5 1 1 A 6 6 ASP HA H 40 4.430 4.827 -0.397 1
1 2 . 5 1 1 A 7 7 ASP H H 41 8.479 8.747 -0.268 1
1 3 . 5 1 1 A 7 7 ASP HA H 41 4.640 4.856 -0.216 1
1 6 . 5 1 1 A 7 7 ASP CA C 41 52.900 53.636 -0.736 1
1 7 . 5 1 1 A 7 7 ASP CB C 41 39.760 41.096 -1.336 1
1 8 . 5 1 1 A 7 7 ASP N N 41 124.447 124.848 -0.401 1
1 9 . 5 1 1 A 8 8 VAL H H 42 7.916 8.456 -0.540 1
1 10 . 5 1 1 A 8 8 VAL HA H 42 4.142 4.217 -0.075 1
1 18 . 5 1 1 A 8 8 VAL CA C 42 60.460 62.257 -1.797 1
1 19 . 5 1 1 A 8 8 VAL CB C 42 31.579 33.006 -1.427 1
1 22 . 5 1 1 A 8 8 VAL N N 42 120.853 126.928 -6.075 1
1 23 . 5 1 1 A 9 9 GLU H H 43 8.476 8.517 -0.041 1
1 24 . 5 1 1 A 9 9 GLU HA H 43 4.290 4.636 -0.346 1
1 29 . 5 1 1 A 9 9 GLU CA C 43 55.300 56.229 -0.929 1
1 30 . 5 1 1 A 9 9 GLU CB C 43 29.120 30.061 -0.941 1
1 32 . 5 1 1 A 9 9 GLU N N 43 127.650 125.927 1.723 1
1 33 . 5 1 1 A 10 10 TRP H H 44 8.839 8.973 -0.134 1
1 34 . 5 1 1 A 10 10 TRP HA H 44 5.230 5.050 0.180 1
1 43 . 5 1 1 A 10 10 TRP CA C 44 54.430 55.794 -1.364 1
1 44 . 5 1 1 A 10 10 TRP CB C 44 27.230 29.281 -2.051 1
1 50 . 5 1 1 A 10 10 TRP N N 44 126.378 128.275 -1.897 1
1 51 . 5 1 1 A 11 11 VAL H H 45 9.230 7.870 1.360 1
1 52 . 5 1 1 A 11 11 VAL HA H 45 3.891 3.534 0.357 1
1 60 . 5 1 1 A 11 11 VAL CA C 45 63.500 66.207 -2.707 1
1 61 . 5 1 1 A 11 11 VAL CB C 45 30.420 31.660 -1.240 1
1 64 . 5 1 1 A 11 11 VAL N N 45 131.353 125.810 5.543 1
1 65 . 5 1 1 A 12 12 VAL H H 46 5.020 7.179 -2.159 1
1 66 . 5 1 1 A 12 12 VAL HA H 46 3.040 3.346 -0.306 1
1 74 . 5 1 1 A 12 12 VAL CA C 46 60.690 65.678 -4.988 1
1 75 . 5 1 1 A 12 12 VAL CB C 46 29.280 30.395 -1.115 1
1 78 . 5 1 1 A 13 13 GLY H H 47 7.330 8.470 -1.140 1
1 79 . 5 1 1 A 13 13 GLY HA2 H 47 3.590 3.938 -0.348 1
1 80 . 5 1 1 A 13 13 GLY HA3 H 47 4.180 3.994 0.186 1
1 81 . 5 1 1 A 13 13 GLY CA C 47 46.400 46.614 -0.214 1
1 82 . 5 1 1 A 14 14 LYS H H 48 7.570 7.917 -0.347 1
1 83 . 5 1 1 A 14 14 LYS HA H 48 4.066 4.116 -0.050 1
1 92 . 5 1 1 A 14 14 LYS CA C 48 57.337 58.663 -1.326 1
1 93 . 5 1 1 A 14 14 LYS CB C 48 30.490 32.416 -1.926 1
1 97 . 5 1 1 A 14 14 LYS N N 48 121.084 117.633 3.451 1
1 98 . 5 1 1 A 15 15 ASP H H 49 7.309 7.675 -0.366 1
1 99 . 5 1 1 A 15 15 ASP HA H 49 4.770 4.772 -0.002 1
1 102 . 5 1 1 A 15 15 ASP CA C 49 52.880 53.393 -0.513 1
1 103 . 5 1 1 A 15 15 ASP CB C 49 41.910 41.359 0.551 1
1 104 . 5 1 1 A 15 15 ASP N N 49 118.181 118.776 -0.595 1
1 105 . 5 1 1 A 16 16 LYS H H 50 7.506 7.633 -0.127 1
1 106 . 5 1 1 A 16 16 LYS HA H 50 4.059 4.012 0.047 1
1 115 . 5 1 1 A 16 16 LYS CA C 50 60.180 61.159 -0.979 1
1 116 . 5 1 1 A 16 16 LYS CB C 50 30.193 31.443 -1.250 1
1 120 . 5 1 1 A 16 16 LYS N N 50 123.633 120.489 3.144 1
1 121 . 5 1 1 A 17 17 PRO HA H 51 4.430 4.322 0.108 1
1 128 . 5 1 1 A 17 17 PRO CA C 51 65.660 65.439 0.221 1
1 129 . 5 1 1 A 17 17 PRO CB C 51 29.600 30.982 -1.382 1
1 132 . 5 1 1 A 18 18 THR H H 52 7.285 7.567 -0.282 1
1 133 . 5 1 1 A 18 18 THR HA H 52 3.977 4.043 -0.066 1
1 138 . 5 1 1 A 18 18 THR CA C 52 64.330 65.268 -0.938 1
1 139 . 5 1 1 A 18 18 THR CB C 52 67.170 68.186 -1.016 1
1 141 . 5 1 1 A 18 18 THR N N 52 115.095 112.431 2.664 1
1 142 . 5 1 1 A 19 19 TYR H H 53 7.083 7.219 -0.136 1
1 143 . 5 1 1 A 19 19 TYR HA H 53 4.728 4.384 0.344 1
1 150 . 5 1 1 A 19 19 TYR CA C 53 57.110 62.035 -4.925 1
1 151 . 5 1 1 A 19 19 TYR CB C 53 35.130 37.125 -1.995 1
1 156 . 5 1 1 A 19 19 TYR N N 53 125.380 119.821 5.559 1
1 157 . 5 1 1 A 20 20 ASP H H 54 9.596 8.819 0.777 1
1 158 . 5 1 1 A 20 20 ASP HA H 54 4.512 4.574 -0.062 1
1 161 . 5 1 1 A 20 20 ASP CA C 54 55.515 57.813 -2.298 1
1 162 . 5 1 1 A 20 20 ASP CB C 54 38.740 41.428 -2.688 1
1 163 . 5 1 1 A 20 20 ASP N N 54 124.548 121.866 2.682 1
1 164 . 5 1 1 A 21 21 GLU H H 55 7.309 8.192 -0.883 1
1 165 . 5 1 1 A 21 21 GLU HA H 55 4.150 4.127 0.023 1
1 170 . 5 1 1 A 21 21 GLU CA C 55 58.100 59.268 -1.168 1
1 171 . 5 1 1 A 21 21 GLU CB C 55 28.500 29.580 -1.080 1
1 173 . 5 1 1 A 21 21 GLU N N 55 118.181 119.208 -1.027 1
1 174 . 5 1 1 A 22 22 ILE H H 56 7.249 8.112 -0.863 1
1 175 . 5 1 1 A 22 22 ILE HA H 56 3.946 4.117 -0.171 1
1 185 . 5 1 1 A 22 22 ILE CA C 56 62.300 65.338 -3.038 1
1 186 . 5 1 1 A 22 22 ILE CB C 56 37.597 37.697 -0.100 1
1 190 . 5 1 1 A 22 22 ILE N N 56 118.978 120.459 -1.481 1
1 191 . 5 1 1 A 23 23 PHE H H 57 9.117 8.604 0.513 1
1 192 . 5 1 1 A 23 23 PHE HA H 57 3.094 3.694 -0.600 1
1 200 . 5 1 1 A 23 23 PHE CA C 57 61.330 61.558 -0.228 1
1 201 . 5 1 1 A 23 23 PHE CB C 57 38.250 38.994 -0.744 1
1 207 . 5 1 1 A 23 23 PHE N N 57 127.639 121.965 5.674 1
1 208 . 5 1 1 A 24 24 TYR H H 58 7.922 8.285 -0.363 1
1 209 . 5 1 1 A 24 24 TYR HA H 58 4.000 4.361 -0.361 1
1 216 . 5 1 1 A 24 24 TYR CA C 58 60.480 60.990 -0.510 1
1 217 . 5 1 1 A 24 24 TYR CB C 58 36.086 38.769 -2.683 1
1 222 . 5 1 1 A 24 24 TYR N N 58 112.757 114.659 -1.902 1
1 223 . 5 1 1 A 25 25 THR H H 59 8.087 8.306 -0.219 1
1 224 . 5 1 1 A 25 25 THR HA H 59 4.650 4.263 0.387 1
1 230 . 5 1 1 A 25 25 THR CA C 59 61.770 64.582 -2.812 1
1 231 . 5 1 1 A 25 25 THR CB C 59 68.900 68.867 0.033 1
1 233 . 5 1 1 A 25 25 THR N N 59 112.676 113.783 -1.107 1
1 234 . 5 1 1 A 26 26 LEU H H 60 7.381 7.440 -0.059 1
1 235 . 5 1 1 A 26 26 LEU HA H 60 4.470 4.321 0.149 1
1 245 . 5 1 1 A 26 26 LEU CA C 60 52.500 54.160 -1.660 1
1 246 . 5 1 1 A 26 26 LEU CB C 60 38.700 41.972 -3.272 1
1 250 . 5 1 1 A 26 26 LEU N N 60 125.808 120.402 5.406 1
1 251 . 5 1 1 A 27 27 SER H H 61 7.870 7.607 0.263 1
1 252 . 5 1 1 A 27 27 SER HA H 61 3.980 4.012 -0.032 1
1 255 . 5 1 1 A 27 27 SER CA C 61 56.300 58.976 -2.676 1
1 256 . 5 1 1 A 27 27 SER CB C 61 60.230 61.576 -1.346 1
1 257 . 5 1 1 A 27 27 SER N N 61 111.582 114.122 -2.540 1
1 258 . 5 1 1 A 28 28 PRO HA H 62 4.200 4.452 -0.252 1
1 265 . 5 1 1 A 28 28 PRO CA C 62 61.600 61.878 -0.278 1
1 266 . 5 1 1 A 28 28 PRO CB C 62 29.890 31.777 -1.887 1
1 269 . 5 1 1 A 29 29 VAL H H 63 8.744 8.044 0.700 1
1 270 . 5 1 1 A 29 29 VAL HA H 63 4.180 4.279 -0.099 1
1 278 . 5 1 1 A 29 29 VAL CA C 63 60.660 59.916 0.744 1
1 279 . 5 1 1 A 29 29 VAL CB C 63 32.878 33.500 -0.622 1
1 282 . 5 1 1 A 29 29 VAL N N 63 124.299 117.541 6.758 1
1 283 . 5 1 1 A 30 30 ASN H H 64 9.713 9.154 0.559 1
1 284 . 5 1 1 A 30 30 ASN HA H 64 4.420 4.477 -0.057 1
1 289 . 5 1 1 A 30 30 ASN CA C 64 52.940 53.970 -1.030 1
1 290 . 5 1 1 A 30 30 ASN CB C 64 36.300 36.222 0.078 1
1 291 . 5 1 1 A 30 30 ASN N N 64 129.729 122.881 6.848 1
1 293 . 5 1 1 A 31 31 GLY H H 65 8.867 8.623 0.244 1
1 294 . 5 1 1 A 31 31 GLY HA2 H 65 3.760 3.938 -0.178 1
1 295 . 5 1 1 A 31 31 GLY HA3 H 65 4.260 3.957 0.303 1
1 296 . 5 1 1 A 31 31 GLY CA C 65 44.260 45.618 -1.358 1
1 297 . 5 1 1 A 31 31 GLY N N 65 130.590 108.292 22.298 1
1 298 . 5 1 1 A 32 32 LYS H H 66 7.501 8.177 -0.676 1
1 299 . 5 1 1 A 32 32 LYS HA H 66 5.410 5.375 0.035 1
1 308 . 5 1 1 A 32 32 LYS CA C 66 53.780 54.513 -0.733 1
1 309 . 5 1 1 A 32 32 LYS CB C 66 36.540 36.360 0.180 1
1 313 . 5 1 1 A 32 32 LYS N N 66 118.738 119.693 -0.955 1
1 314 . 5 1 1 A 33 33 ILE H H 67 9.216 8.696 0.520 1
1 315 . 5 1 1 A 33 33 ILE HA H 67 5.008 4.723 0.285 1
1 325 . 5 1 1 A 33 33 ILE CA C 67 57.470 59.264 -1.794 1
1 326 . 5 1 1 A 33 33 ILE CB C 67 39.700 39.724 -0.024 1
1 330 . 5 1 1 A 33 33 ILE N N 67 118.166 118.978 -0.812 1
1 331 . 5 1 1 A 34 34 THR H H 68 8.255 8.153 0.102 1
1 332 . 5 1 1 A 34 34 THR HA H 68 4.548 4.663 -0.115 1
1 338 . 5 1 1 A 34 34 THR CA C 68 58.970 59.879 -0.909 1
1 339 . 5 1 1 A 34 34 THR CB C 68 69.762 71.263 -1.501 1
1 341 . 5 1 1 A 34 34 THR N N 68 111.971 113.407 -1.436 1
1 342 . 5 1 1 A 35 35 GLY H H 69 8.940 8.943 -0.003 1
1 343 . 5 1 1 A 35 35 GLY HA2 H 69 3.630 3.845 -0.215 1
1 344 . 5 1 1 A 35 35 GLY HA3 H 69 3.900 4.129 -0.229 1
1 345 . 5 1 1 A 35 35 GLY CA C 69 46.900 47.492 -0.592 1
1 346 . 5 1 1 A 35 35 GLY N N 69 110.161 109.234 0.927 1
1 347 . 5 1 1 A 36 36 ALA H H 70 8.265 8.092 0.173 1
1 348 . 5 1 1 A 36 36 ALA HA H 70 3.870 3.990 -0.120 1
1 352 . 5 1 1 A 36 36 ALA CA C 70 53.700 54.918 -1.218 1
1 353 . 5 1 1 A 36 36 ALA CB C 70 17.080 18.116 -1.036 1
1 354 . 5 1 1 A 36 36 ALA N N 70 123.384 124.753 -1.369 1
1 355 . 5 1 1 A 37 37 ASN H H 71 7.574 7.733 -0.159 1
1 356 . 5 1 1 A 37 37 ASN HA H 71 4.690 4.539 0.151 1
1 361 . 5 1 1 A 37 37 ASN CA C 71 54.000 55.846 -1.846 1
1 362 . 5 1 1 A 37 37 ASN CB C 71 36.300 37.927 -1.627 1
1 363 . 5 1 1 A 37 37 ASN N N 71 118.852 117.411 1.441 1
1 365 . 5 1 1 A 38 38 ALA H H 72 8.853 7.642 1.211 1
1 366 . 5 1 1 A 38 38 ALA HA H 72 4.108 4.334 -0.226 1
1 370 . 5 1 1 A 38 38 ALA CA C 72 54.450 55.221 -0.771 1
1 371 . 5 1 1 A 38 38 ALA CB C 72 17.970 18.638 -0.668 1
1 372 . 5 1 1 A 38 38 ALA N N 72 123.903 122.709 1.194 1
1 373 . 5 1 1 A 39 39 LYS H H 73 8.837 8.301 0.536 1
1 374 . 5 1 1 A 39 39 LYS HA H 73 3.970 3.998 -0.028 1
1 383 . 5 1 1 A 39 39 LYS CA C 73 59.130 59.773 -0.643 1
1 384 . 5 1 1 A 39 39 LYS CB C 73 30.880 32.375 -1.495 1
1 388 . 5 1 1 A 39 39 LYS N N 73 120.578 118.417 2.161 1
1 389 . 5 1 1 A 40 40 LYS H H 74 7.209 8.176 -0.967 1
1 390 . 5 1 1 A 40 40 LYS HA H 74 3.988 4.059 -0.071 1
1 399 . 5 1 1 A 40 40 LYS CA C 74 58.130 59.209 -1.079 1
1 400 . 5 1 1 A 40 40 LYS CB C 74 30.900 31.910 -1.010 1
1 404 . 5 1 1 A 40 40 LYS N N 74 117.823 118.256 -0.433 1
1 405 . 5 1 1 A 41 41 GLU H H 75 7.089 8.118 -1.029 1
1 406 . 5 1 1 A 41 41 GLU HA H 75 4.450 4.112 0.338 1
1 411 . 5 1 1 A 41 41 GLU CA C 75 56.160 59.553 -3.393 1
1 412 . 5 1 1 A 41 41 GLU CB C 75 28.900 29.261 -0.361 1
1 414 . 5 1 1 A 41 41 GLU N N 75 117.306 119.604 -2.298 1
1 415 . 5 1 1 A 42 42 MET H H 76 8.854 8.364 0.490 1
1 416 . 5 1 1 A 42 42 MET HA H 76 4.010 4.357 -0.347 1
1 424 . 5 1 1 A 42 42 MET CA C 76 58.600 58.684 -0.084 1
1 425 . 5 1 1 A 42 42 MET CB C 76 33.770 31.862 1.908 1
1 428 . 5 1 1 A 42 42 MET N N 76 121.769 118.857 2.912 1
1 429 . 5 1 1 A 43 43 VAL H H 77 8.799 7.994 0.805 1
1 430 . 5 1 1 A 43 43 VAL HA H 77 4.110 3.659 0.451 1
1 438 . 5 1 1 A 43 43 VAL CA C 77 63.490 66.797 -3.307 1
1 439 . 5 1 1 A 43 43 VAL CB C 77 30.470 31.507 -1.037 1
1 442 . 5 1 1 A 43 43 VAL N N 77 116.182 120.307 -4.125 1
1 443 . 5 1 1 A 44 44 LYS H H 78 7.498 8.253 -0.755 1
1 444 . 5 1 1 A 44 44 LYS HA H 78 4.130 4.274 -0.144 1
1 453 . 5 1 1 A 44 44 LYS CA C 78 57.670 58.634 -0.964 1
1 454 . 5 1 1 A 44 44 LYS CB C 78 30.990 32.303 -1.313 1
1 458 . 5 1 1 A 44 44 LYS N N 78 124.581 120.161 4.420 1
1 459 . 5 1 1 A 45 45 SER H H 79 7.508 7.508 0.000 1
1 460 . 5 1 1 A 45 45 SER HA H 79 4.068 4.508 -0.440 1
1 463 . 5 1 1 A 45 45 SER CA C 79 59.440 58.526 0.914 1
1 464 . 5 1 1 A 45 45 SER CB C 79 64.580 63.283 1.297 1
1 465 . 5 1 1 A 45 45 SER N N 79 114.450 112.956 1.494 1
1 466 . 5 1 1 A 46 46 LYS H H 80 7.802 7.565 0.237 1
1 467 . 5 1 1 A 46 46 LYS HA H 80 3.920 3.962 -0.042 1
1 476 . 5 1 1 A 46 46 LYS CA C 80 56.810 57.734 -0.924 1
1 477 . 5 1 1 A 46 46 LYS CB C 80 27.840 29.398 -1.558 1
1 481 . 5 1 1 A 46 46 LYS N N 80 114.720 117.906 -3.186 1
1 482 . 5 1 1 A 47 47 LEU H H 81 7.468 7.894 -0.426 1
1 483 . 5 1 1 A 47 47 LEU HA H 81 4.480 4.556 -0.076 1
1 493 . 5 1 1 A 47 47 LEU CA C 81 52.000 52.359 -0.359 1
1 494 . 5 1 1 A 47 47 LEU CB C 81 40.400 41.522 -1.122 1
1 498 . 5 1 1 A 47 47 LEU N N 81 122.848 120.355 2.493 1
1 499 . 5 1 1 A 48 48 PRO HA H 82 4.510 4.555 -0.045 1
1 506 . 5 1 1 A 48 48 PRO CA C 82 60.910 62.870 -1.960 1
1 507 . 5 1 1 A 48 48 PRO CB C 82 31.550 32.743 -1.193 1
1 510 . 5 1 1 A 49 49 ASN H H 83 7.580 9.028 -1.448 1
1 511 . 5 1 1 A 49 49 ASN HA H 83 4.220 4.453 -0.233 1
1 516 . 5 1 1 A 49 49 ASN CA C 83 56.000 56.142 -0.142 1
1 517 . 5 1 1 A 49 49 ASN CB C 83 36.900 38.607 -1.707 1
1 519 . 5 1 1 A 50 50 THR H H 84 7.270 8.083 -0.813 1
1 520 . 5 1 1 A 50 50 THR HA H 84 4.000 3.987 0.013 1
1 525 . 5 1 1 A 50 50 THR CA C 84 63.474 67.090 -3.616 1
1 526 . 5 1 1 A 50 50 THR CB C 84 66.950 68.376 -1.426 1
1 528 . 5 1 1 A 51 51 VAL H H 85 6.827 8.229 -1.402 1
1 529 . 5 1 1 A 51 51 VAL HA H 85 3.620 3.866 -0.246 1
1 537 . 5 1 1 A 51 51 VAL CA C 85 64.100 67.709 -3.609 1
1 538 . 5 1 1 A 51 51 VAL CB C 85 30.500 31.617 -1.117 1
1 541 . 5 1 1 A 51 51 VAL N N 85 124.677 122.740 1.937 1
1 542 . 5 1 1 A 52 52 LEU H H 86 7.912 8.306 -0.394 1
1 543 . 5 1 1 A 52 52 LEU HA H 86 3.560 4.060 -0.500 1
1 553 . 5 1 1 A 52 52 LEU CA C 86 56.600 58.535 -1.935 1
1 554 . 5 1 1 A 52 52 LEU CB C 86 38.090 41.828 -3.738 1
1 558 . 5 1 1 A 52 52 LEU N N 86 121.680 119.613 2.067 1
1 559 . 5 1 1 A 53 53 GLY H H 87 8.429 8.529 -0.100 1
1 560 . 5 1 1 A 53 53 GLY HA2 H 87 3.940 3.794 0.146 1
1 561 . 5 1 1 A 53 53 GLY HA3 H 87 4.130 3.815 0.315 1
1 562 . 5 1 1 A 53 53 GLY CA C 87 46.200 47.168 -0.968 1
1 563 . 5 1 1 A 53 53 GLY N N 87 107.113 105.885 1.228 1
1 564 . 5 1 1 A 54 54 LYS H H 88 7.260 7.821 -0.561 1
1 565 . 5 1 1 A 54 54 LYS HA H 88 4.150 4.051 0.099 1
1 574 . 5 1 1 A 54 54 LYS CA C 88 57.890 59.363 -1.473 1
1 575 . 5 1 1 A 54 54 LYS CB C 88 31.000 32.206 -1.206 1
1 579 . 5 1 1 A 54 54 LYS N N 88 124.980 122.285 2.695 1
1 580 . 5 1 1 A 55 55 ILE H H 89 8.019 8.257 -0.238 1
1 581 . 5 1 1 A 55 55 ILE HA H 89 3.476 3.637 -0.161 1
1 591 . 5 1 1 A 55 55 ILE CA C 89 65.360 65.378 -0.018 1
1 592 . 5 1 1 A 55 55 ILE CB C 89 36.300 37.836 -1.536 1
1 596 . 5 1 1 A 55 55 ILE N N 89 122.812 119.977 2.835 1
1 597 . 5 1 1 A 56 56 TRP H H 90 8.911 8.684 0.227 1
1 598 . 5 1 1 A 56 56 TRP HA H 90 3.810 4.188 -0.378 1
1 607 . 5 1 1 A 56 56 TRP CA C 90 60.260 60.419 -0.159 1
1 608 . 5 1 1 A 56 56 TRP CB C 90 27.000 29.974 -2.974 1
1 614 . 5 1 1 A 56 56 TRP N N 90 121.947 121.850 0.097 1
1 616 . 5 1 1 A 57 57 LYS H H 91 7.577 8.238 -0.661 1
1 617 . 5 1 1 A 57 57 LYS HA H 91 4.010 4.209 -0.199 1
1 626 . 5 1 1 A 57 57 LYS CA C 91 57.890 59.117 -1.227 1
1 627 . 5 1 1 A 57 57 LYS CB C 91 31.300 32.224 -0.924 1
1 631 . 5 1 1 A 57 57 LYS N N 91 117.344 119.711 -2.367 1
1 632 . 5 1 1 A 58 58 LEU H H 92 7.571 7.554 0.017 1
1 633 . 5 1 1 A 58 58 LEU HA H 92 3.995 4.166 -0.171 1
1 643 . 5 1 1 A 58 58 LEU CA C 92 55.780 57.587 -1.807 1
1 644 . 5 1 1 A 58 58 LEU CB C 92 42.270 42.210 0.060 1
1 648 . 5 1 1 A 58 58 LEU N N 92 119.520 119.447 0.073 1
1 649 . 5 1 1 A 59 59 ALA H H 93 8.135 8.334 -0.199 1
1 650 . 5 1 1 A 59 59 ALA HA H 93 4.150 4.139 0.011 1
1 654 . 5 1 1 A 59 59 ALA CA C 93 52.400 55.009 -2.609 1
1 655 . 5 1 1 A 59 59 ALA CB C 93 17.700 18.324 -0.624 1
1 656 . 5 1 1 A 59 59 ALA N N 93 120.351 120.721 -0.370 1
1 657 . 5 1 1 A 60 60 ASP H H 94 7.733 7.689 0.044 1
1 658 . 5 1 1 A 60 60 ASP HA H 94 4.560 4.405 0.155 1
1 661 . 5 1 1 A 60 60 ASP CA C 94 50.550 53.696 -3.146 1
1 662 . 5 1 1 A 60 60 ASP CB C 94 35.220 39.849 -4.629 1
1 663 . 5 1 1 A 60 60 ASP N N 94 115.750 117.310 -1.560 1
1 664 . 5 1 1 A 61 61 VAL H H 95 8.358 8.121 0.237 1
1 665 . 5 1 1 A 61 61 VAL HA H 95 3.500 3.666 -0.166 1
1 673 . 5 1 1 A 61 61 VAL CA C 95 64.360 66.150 -1.790 1
1 674 . 5 1 1 A 61 61 VAL CB C 95 31.330 31.836 -0.506 1
1 677 . 5 1 1 A 61 61 VAL N N 95 129.465 124.265 5.200 1
1 678 . 5 1 1 A 62 62 ASP H H 96 7.910 7.637 0.273 1
1 679 . 5 1 1 A 62 62 ASP HA H 96 4.530 4.572 -0.042 1
1 682 . 5 1 1 A 62 62 ASP CA C 96 51.630 54.072 -2.442 1
1 683 . 5 1 1 A 62 62 ASP CB C 96 38.300 41.321 -3.021 1
1 684 . 5 1 1 A 62 62 ASP N N 96 115.789 116.961 -1.172 1
1 685 . 5 1 1 A 63 63 LYS H H 97 7.590 7.529 0.061 1
1 686 . 5 1 1 A 63 63 LYS HA H 97 3.850 4.824 -0.974 1
1 695 . 5 1 1 A 63 63 LYS CA C 97 56.450 57.163 -0.713 1
1 696 . 5 1 1 A 63 63 LYS CB C 97 28.000 29.873 -1.873 1
1 700 . 5 1 1 A 63 63 LYS N N 97 115.885 115.382 0.503 1
1 701 . 5 1 1 A 64 64 ASP H H 98 8.379 8.037 0.342 1
1 702 . 5 1 1 A 64 64 ASP HA H 98 4.707 4.773 -0.066 1
1 705 . 5 1 1 A 64 64 ASP CA C 98 52.060 52.949 -0.889 1
1 706 . 5 1 1 A 64 64 ASP CB C 98 39.500 40.928 -1.428 1
1 707 . 5 1 1 A 64 64 ASP N N 98 119.948 118.856 1.092 1
1 708 . 5 1 1 A 65 65 GLY H H 99 10.740 8.406 2.334 1
1 709 . 5 1 1 A 65 65 GLY HA2 H 99 3.990 4.002 -0.012 1
1 710 . 5 1 1 A 65 65 GLY HA3 H 99 4.360 4.166 0.194 1
1 711 . 5 1 1 A 65 65 GLY CA C 99 45.160 45.888 -0.728 1
1 712 . 5 1 1 A 65 65 GLY N N 99 115.529 111.168 4.361 1
1 713 . 5 1 1 A 66 66 LEU H H 100 8.197 7.954 0.243 1
1 714 . 5 1 1 A 66 66 LEU HA H 100 5.180 5.130 0.050 1
1 724 . 5 1 1 A 66 66 LEU CA C 100 52.200 53.066 -0.866 1
1 725 . 5 1 1 A 66 66 LEU CB C 100 44.290 45.212 -0.922 1
1 729 . 5 1 1 A 66 66 LEU N N 100 123.347 121.983 1.364 1
1 730 . 5 1 1 A 67 67 LEU H H 101 8.697 9.102 -0.405 1
1 731 . 5 1 1 A 67 67 LEU HA H 101 5.796 5.031 0.765 1
1 741 . 5 1 1 A 67 67 LEU CA C 101 51.600 53.520 -1.920 1
1 742 . 5 1 1 A 67 67 LEU CB C 101 42.100 43.454 -1.354 1
1 746 . 5 1 1 A 67 67 LEU N N 101 121.209 122.522 -1.313 1
1 747 . 5 1 1 A 68 68 ASP H H 102 9.241 8.783 0.458 1
1 748 . 5 1 1 A 68 68 ASP HA H 102 5.620 4.787 0.833 1
1 751 . 5 1 1 A 68 68 ASP CA C 102 50.980 54.121 -3.141 1
1 752 . 5 1 1 A 68 68 ASP CB C 102 39.750 41.957 -2.207 1
1 753 . 5 1 1 A 68 68 ASP N N 102 124.386 124.636 -0.250 1
1 754 . 5 1 1 A 69 69 ASP H H 103 8.523 8.753 -0.230 1
1 755 . 5 1 1 A 69 69 ASP HA H 103 2.830 3.425 -0.595 1
1 758 . 5 1 1 A 69 69 ASP CA C 103 56.160 56.079 0.081 1
1 759 . 5 1 1 A 69 69 ASP CB C 103 37.160 39.470 -2.310 1
1 760 . 5 1 1 A 69 69 ASP N N 103 117.349 121.007 -3.658 1
1 761 . 5 1 1 A 70 70 GLU H H 104 8.003 8.067 -0.064 1
1 762 . 5 1 1 A 70 70 GLU HA H 104 4.075 4.358 -0.283 1
1 767 . 5 1 1 A 70 70 GLU CA C 104 58.950 59.482 -0.532 1
1 768 . 5 1 1 A 70 70 GLU CB C 104 29.134 29.186 -0.052 1
1 770 . 5 1 1 A 70 70 GLU N N 104 124.806 120.519 4.287 1
1 771 . 5 1 1 A 71 71 GLU H H 105 8.758 8.194 0.564 1
1 772 . 5 1 1 A 71 71 GLU HA H 105 4.030 4.098 -0.068 1
1 777 . 5 1 1 A 71 71 GLU CA C 105 58.570 58.893 -0.323 1
1 778 . 5 1 1 A 71 71 GLU CB C 105 30.270 29.536 0.734 1
1 780 . 5 1 1 A 71 71 GLU N N 105 123.541 119.742 3.799 1
1 781 . 5 1 1 A 72 72 PHE H H 106 9.416 8.767 0.649 1
1 782 . 5 1 1 A 72 72 PHE HA H 106 4.230 4.079 0.151 1
1 790 . 5 1 1 A 72 72 PHE CA C 106 60.000 61.813 -1.813 1
1 791 . 5 1 1 A 72 72 PHE CB C 106 38.440 39.247 -0.807 1
1 797 . 5 1 1 A 72 72 PHE N N 106 120.706 122.152 -1.446 1
1 798 . 5 1 1 A 73 73 ALA H H 107 8.085 8.178 -0.093 1
1 799 . 5 1 1 A 73 73 ALA HA H 107 3.778 3.647 0.131 1
1 803 . 5 1 1 A 73 73 ALA CA C 107 54.010 55.039 -1.029 1
1 804 . 5 1 1 A 73 73 ALA CB C 107 16.691 18.018 -1.327 1
1 805 . 5 1 1 A 73 73 ALA N N 107 126.845 121.112 5.733 1
1 806 . 5 1 1 A 74 74 LEU H H 108 8.443 8.265 0.178 1
1 807 . 5 1 1 A 74 74 LEU HA H 108 4.048 3.965 0.083 1
1 817 . 5 1 1 A 74 74 LEU CA C 108 56.811 57.669 -0.858 1
1 818 . 5 1 1 A 74 74 LEU CB C 108 41.090 41.585 -0.495 1
1 822 . 5 1 1 A 74 74 LEU N N 108 121.249 120.565 0.684 1
1 823 . 5 1 1 A 75 75 ALA H H 109 8.677 8.171 0.506 1
1 824 . 5 1 1 A 75 75 ALA HA H 109 3.648 3.982 -0.334 1
1 828 . 5 1 1 A 75 75 ALA CA C 109 54.220 55.405 -1.185 1
1 829 . 5 1 1 A 75 75 ALA CB C 109 15.367 18.133 -2.766 1
1 830 . 5 1 1 A 75 75 ALA N N 109 122.981 121.072 1.909 1
1 831 . 5 1 1 A 76 76 ASN H H 110 7.270 8.025 -0.755 1
1 832 . 5 1 1 A 76 76 ASN HA H 110 3.800 4.200 -0.400 1
1 837 . 5 1 1 A 76 76 ASN CA C 110 55.500 55.941 -0.441 1
1 838 . 5 1 1 A 76 76 ASN CB C 110 36.610 37.013 -0.403 1
1 839 . 5 1 1 A 76 76 ASN N N 110 115.791 116.242 -0.451 1
1 841 . 5 1 1 A 77 77 HIS H H 111 8.363 7.750 0.613 1
1 842 . 5 1 1 A 77 77 HIS HA H 111 4.092 4.187 -0.095 1
1 847 . 5 1 1 A 77 77 HIS CA C 111 59.180 59.485 -0.305 1
1 848 . 5 1 1 A 77 77 HIS CB C 111 30.420 29.956 0.464 1
1 851 . 5 1 1 A 77 77 HIS N N 111 124.686 120.727 3.959 1
1 852 . 5 1 1 A 78 78 LEU H H 112 8.278 8.146 0.132 1
1 853 . 5 1 1 A 78 78 LEU HA H 112 3.820 3.829 -0.009 1
1 863 . 5 1 1 A 78 78 LEU CA C 112 56.115 57.850 -1.735 1
1 864 . 5 1 1 A 78 78 LEU CB C 112 41.000 41.514 -0.514 1
1 868 . 5 1 1 A 78 78 LEU N N 112 119.085 119.603 -0.518 1
1 869 . 5 1 1 A 79 79 ILE H H 113 7.799 8.275 -0.476 1
1 870 . 5 1 1 A 79 79 ILE HA H 113 3.270 3.503 -0.233 1
1 880 . 5 1 1 A 79 79 ILE CA C 113 65.020 64.940 0.080 1
1 881 . 5 1 1 A 79 79 ILE CB C 113 36.730 37.209 -0.479 1
1 885 . 5 1 1 A 79 79 ILE N N 113 121.304 119.967 1.337 1
1 886 . 5 1 1 A 80 80 LYS H H 114 7.546 8.344 -0.798 1
1 887 . 5 1 1 A 80 80 LYS HA H 114 3.820 3.999 -0.179 1
1 896 . 5 1 1 A 80 80 LYS CA C 114 58.970 59.733 -0.763 1
1 897 . 5 1 1 A 80 80 LYS CB C 114 30.470 32.432 -1.962 1
1 901 . 5 1 1 A 80 80 LYS N N 114 122.150 121.448 0.702 1
1 902 . 5 1 1 A 81 81 VAL H H 115 8.110 7.602 0.508 1
1 903 . 5 1 1 A 81 81 VAL HA H 115 3.736 3.796 -0.060 1
1 911 . 5 1 1 A 81 81 VAL CA C 115 64.500 65.826 -1.326 1
1 912 . 5 1 1 A 81 81 VAL CB C 115 30.050 31.404 -1.354 1
1 915 . 5 1 1 A 81 81 VAL N N 115 118.999 118.365 0.634 1
1 916 . 5 1 1 A 82 82 LYS H H 116 7.853 7.871 -0.018 1
1 917 . 5 1 1 A 82 82 LYS HA H 116 4.520 3.994 0.526 1
1 926 . 5 1 1 A 82 82 LYS CA C 116 56.000 59.613 -3.613 1
1 927 . 5 1 1 A 82 82 LYS CB C 116 30.340 32.668 -2.328 1
1 931 . 5 1 1 A 82 82 LYS N N 116 123.030 122.105 0.925 1
1 932 . 5 1 1 A 83 83 LEU H H 117 8.959 8.195 0.764 1
1 933 . 5 1 1 A 83 83 LEU HA H 117 4.080 4.112 -0.032 1
1 943 . 5 1 1 A 83 83 LEU CA C 117 56.620 56.806 -0.186 1
1 944 . 5 1 1 A 83 83 LEU CB C 117 40.361 41.637 -1.276 1
1 948 . 5 1 1 A 83 83 LEU N N 117 125.378 119.480 5.898 1
1 949 . 5 1 1 A 84 84 GLU H H 118 7.817 8.133 -0.316 1
1 950 . 5 1 1 A 84 84 GLU HA H 118 4.156 4.230 -0.074 1
1 955 . 5 1 1 A 84 84 GLU CA C 118 55.100 56.609 -1.509 1
1 956 . 5 1 1 A 84 84 GLU CB C 118 28.600 29.910 -1.310 1
1 958 . 5 1 1 A 84 84 GLU N N 118 119.766 116.851 2.915 1
1 959 . 5 1 1 A 85 85 GLY H H 119 7.862 7.868 -0.006 1
1 960 . 5 1 1 A 85 85 GLY HA2 H 119 3.640 3.790 -0.150 1
1 961 . 5 1 1 A 85 85 GLY HA3 H 119 4.140 3.867 0.273 1
1 962 . 5 1 1 A 85 85 GLY CA C 119 43.690 45.355 -1.665 1
1 963 . 5 1 1 A 85 85 GLY N N 119 107.933 107.980 -0.047 1
1 964 . 5 1 1 A 86 86 HIS H H 120 7.714 7.942 -0.228 1
1 965 . 5 1 1 A 86 86 HIS HA H 120 4.670 4.807 -0.137 1
1 970 . 5 1 1 A 86 86 HIS CA C 120 53.780 55.639 -1.859 1
1 971 . 5 1 1 A 86 86 HIS CB C 120 29.390 32.943 -3.553 1
1 973 . 5 1 1 A 86 86 HIS N N 120 122.124 117.955 4.169 1
1 974 . 5 1 1 A 87 87 GLU H H 121 8.491 8.859 -0.368 1
1 975 . 5 1 1 A 87 87 GLU HA H 121 4.300 4.788 -0.488 1
1 980 . 5 1 1 A 87 87 GLU CA C 121 54.000 55.127 -1.127 1
1 981 . 5 1 1 A 87 87 GLU CB C 121 29.120 32.581 -3.461 1
1 983 . 5 1 1 A 87 87 GLU N N 121 121.826 121.017 0.809 1
1 984 . 5 1 1 A 88 88 LEU H H 122 8.659 8.794 -0.135 1
1 985 . 5 1 1 A 88 88 LEU HA H 122 4.417 4.793 -0.376 1
1 995 . 5 1 1 A 88 88 LEU CA C 122 50.777 53.001 -2.224 1
1 996 . 5 1 1 A 88 88 LEU CB C 122 39.986 41.955 -1.969 1
1 1000 . 5 1 1 A 88 88 LEU N N 122 125.316 122.928 2.388 1
1 1001 . 5 1 1 A 89 89 PRO HA H 123 4.570 4.462 0.108 1
1 1008 . 5 1 1 A 89 89 PRO CA C 123 60.690 63.761 -3.071 1
1 1009 . 5 1 1 A 89 89 PRO CB C 123 30.320 32.021 -1.701 1
1 1012 . 5 1 1 A 90 90 ALA H H 124 8.464 7.981 0.483 1
1 1013 . 5 1 1 A 90 90 ALA HA H 124 4.068 3.950 0.118 1
1 1017 . 5 1 1 A 90 90 ALA CA C 124 52.700 53.588 -0.888 1
1 1018 . 5 1 1 A 90 90 ALA CB C 124 17.760 17.886 -0.126 1
1 1019 . 5 1 1 A 90 90 ALA N N 124 123.603 120.266 3.337 1
1 1020 . 5 1 1 A 91 91 ASP H H 125 7.482 7.629 -0.147 1
1 1021 . 5 1 1 A 91 91 ASP HA H 125 4.630 5.255 -0.625 1
1 1024 . 5 1 1 A 91 91 ASP CA C 125 50.340 52.898 -2.558 1
1 1025 . 5 1 1 A 91 91 ASP CB C 125 42.620 45.381 -2.761 1
1 1026 . 5 1 1 A 91 91 ASP N N 125 115.317 116.462 -1.145 1
1 1027 . 5 1 1 A 92 92 LEU H H 126 8.883 9.118 -0.235 1
1 1028 . 5 1 1 A 92 92 LEU HA H 126 4.196 4.873 -0.677 1
1 1038 . 5 1 1 A 92 92 LEU CA C 126 51.930 51.536 0.394 1
1 1039 . 5 1 1 A 92 92 LEU CB C 126 41.032 42.865 -1.833 1
1 1043 . 5 1 1 A 92 92 LEU N N 126 125.329 122.280 3.049 1
1 1044 . 5 1 1 A 93 93 PRO HA H 127 4.860 4.628 0.232 1
1 1051 . 5 1 1 A 93 93 PRO CA C 127 59.820 61.568 -1.748 1
1 1052 . 5 1 1 A 93 93 PRO CB C 127 29.800 32.090 -2.290 1
1 1055 . 5 1 1 A 94 94 PRO HA H 128 4.220 4.292 -0.072 1
1 1062 . 5 1 1 A 94 94 PRO CA C 128 64.560 64.663 -0.103 1
1 1063 . 5 1 1 A 94 94 PRO CB C 128 30.900 31.800 -0.900 1
1 1066 . 5 1 1 A 95 95 HIS H H 129 7.922 7.911 0.011 1
1 1067 . 5 1 1 A 95 95 HIS HA H 129 4.650 4.700 -0.050 1
1 1072 . 5 1 1 A 95 95 HIS CA C 129 56.810 55.569 1.241 1
1 1073 . 5 1 1 A 95 95 HIS CB C 129 28.100 30.780 -2.680 1
1 1076 . 5 1 1 A 95 95 HIS N N 129 112.757 114.415 -1.658 1
1 1077 . 5 1 1 A 96 96 LEU H H 130 7.717 7.631 0.086 1
1 1078 . 5 1 1 A 96 96 LEU HA H 130 4.646 4.449 0.197 1
1 1088 . 5 1 1 A 96 96 LEU CA C 130 52.920 55.040 -2.120 1
1 1089 . 5 1 1 A 96 96 LEU CB C 130 42.210 43.463 -1.253 1
1 1093 . 5 1 1 A 96 96 LEU N N 130 121.128 119.182 1.946 1
1 1094 . 5 1 1 A 97 97 VAL H H 131 7.173 7.202 -0.029 1
1 1095 . 5 1 1 A 97 97 VAL HA H 131 3.720 4.164 -0.444 1
1 1103 . 5 1 1 A 97 97 VAL CA C 131 60.520 61.228 -0.708 1
1 1104 . 5 1 1 A 97 97 VAL CB C 131 31.310 32.438 -1.128 1
1 1107 . 5 1 1 A 97 97 VAL N N 131 125.460 121.371 4.089 1
1 1108 . 5 1 1 A 98 98 PRO HA H 132 2.720 4.015 -1.295 1
1 1115 . 5 1 1 A 98 98 PRO CA C 132 59.400 61.905 -2.505 1
1 1116 . 5 1 1 A 98 98 PRO CB C 132 30.250 32.369 -2.119 1
1 1119 . 5 1 1 A 99 99 PRO HA H 133 3.610 3.973 -0.363 1
1 1126 . 5 1 1 A 99 99 PRO CA C 133 64.760 65.080 -0.320 1
1 1127 . 5 1 1 A 99 99 PRO CB C 133 30.770 31.775 -1.005 1
1 1130 . 5 1 1 A 100 100 SER H H 134 9.222 8.294 0.928 1
1 1131 . 5 1 1 A 100 100 SER HA H 134 4.140 4.358 -0.218 1
1 1134 . 5 1 1 A 100 100 SER CA C 134 59.660 59.587 0.073 1
1 1135 . 5 1 1 A 100 100 SER CB C 134 61.320 62.870 -1.550 1
1 1136 . 5 1 1 A 100 100 SER N N 134 115.005 112.496 2.509 1
1 1137 . 5 1 1 A 101 101 LYS H H 135 7.867 7.504 0.363 1
1 1138 . 5 1 1 A 101 101 LYS HA H 135 4.470 4.334 0.136 1
1 1147 . 5 1 1 A 101 101 LYS CA C 135 52.490 56.456 -3.966 1
1 1148 . 5 1 1 A 101 101 LYS CB C 135 30.600 32.893 -2.293 1
1 1152 . 5 1 1 A 101 101 LYS N N 135 121.053 118.090 2.963 1
1 1153 . 5 1 1 A 102 102 ARG H H 136 7.077 7.556 -0.479 1
1 1154 . 5 1 1 A 102 102 ARG HA H 136 4.110 4.932 -0.822 1
1 1165 . 5 1 1 A 102 102 ARG CA C 136 55.440 55.057 0.383 1
1 1166 . 5 1 1 A 102 102 ARG CB C 136 29.100 32.337 -3.237 1
1 1169 . 5 1 1 A 102 102 ARG N N 136 121.944 117.346 4.598 1
1 1170 . 5 1 1 A 103 103 ARG H H 137 8.289 9.038 -0.749 1
1 1171 . 5 1 1 A 103 103 ARG HA H 137 4.274 4.921 -0.647 1
1 1182 . 5 1 1 A 103 103 ARG CA C 137 54.100 54.966 -0.866 1
1 1183 . 5 1 1 A 103 103 ARG CB C 137 29.700 32.009 -2.309 1
1 1186 . 5 1 1 A 103 103 ARG N N 137 123.504 124.272 -0.768 1
1 1187 . 5 1 1 A 104 104 HIS H H 138 8.370 9.143 -0.773 1
1 1188 . 5 1 1 A 104 104 HIS HA H 138 4.662 4.971 -0.309 1
1 1192 . 5 1 1 A 104 104 HIS CA C 138 54.110 55.715 -1.605 1
1 1193 . 5 1 1 A 104 104 HIS CB C 138 28.730 31.669 -2.939 1
1 1 . 6 1 1 A 6 6 ASP HA H 40 4.430 4.932 -0.502 1
1 2 . 6 1 1 A 7 7 ASP H H 41 8.479 9.150 -0.671 1
1 3 . 6 1 1 A 7 7 ASP HA H 41 4.640 5.234 -0.594 1
1 6 . 6 1 1 A 7 7 ASP CA C 41 52.900 52.784 0.116 1
1 7 . 6 1 1 A 7 7 ASP CB C 41 39.760 44.479 -4.719 1
1 8 . 6 1 1 A 7 7 ASP N N 41 124.447 126.749 -2.302 1
1 9 . 6 1 1 A 8 8 VAL H H 42 7.916 8.655 -0.739 1
1 10 . 6 1 1 A 8 8 VAL HA H 42 4.142 4.477 -0.335 1
1 18 . 6 1 1 A 8 8 VAL CA C 42 60.460 61.148 -0.688 1
1 19 . 6 1 1 A 8 8 VAL CB C 42 31.579 33.565 -1.986 1
1 22 . 6 1 1 A 8 8 VAL N N 42 120.853 123.927 -3.074 1
1 23 . 6 1 1 A 9 9 GLU H H 43 8.476 8.771 -0.295 1
1 24 . 6 1 1 A 9 9 GLU HA H 43 4.290 4.571 -0.281 1
1 29 . 6 1 1 A 9 9 GLU CA C 43 55.300 56.047 -0.747 1
1 30 . 6 1 1 A 9 9 GLU CB C 43 29.120 30.022 -0.902 1
1 32 . 6 1 1 A 9 9 GLU N N 43 127.650 128.061 -0.411 1
1 33 . 6 1 1 A 10 10 TRP H H 44 8.839 8.980 -0.141 1
1 34 . 6 1 1 A 10 10 TRP HA H 44 5.230 4.925 0.305 1
1 43 . 6 1 1 A 10 10 TRP CA C 44 54.430 55.854 -1.424 1
1 44 . 6 1 1 A 10 10 TRP CB C 44 27.230 29.759 -2.529 1
1 50 . 6 1 1 A 10 10 TRP N N 44 126.378 130.060 -3.682 1
1 51 . 6 1 1 A 11 11 VAL H H 45 9.230 8.315 0.915 1
1 52 . 6 1 1 A 11 11 VAL HA H 45 3.891 3.552 0.339 1
1 60 . 6 1 1 A 11 11 VAL CA C 45 63.500 66.574 -3.074 1
1 61 . 6 1 1 A 11 11 VAL CB C 45 30.420 31.394 -0.974 1
1 64 . 6 1 1 A 11 11 VAL N N 45 131.353 126.231 5.122 1
1 65 . 6 1 1 A 12 12 VAL H H 46 5.020 6.946 -1.926 1
1 66 . 6 1 1 A 12 12 VAL HA H 46 3.040 3.953 -0.913 1
1 74 . 6 1 1 A 12 12 VAL CA C 46 60.690 62.757 -2.067 1
1 75 . 6 1 1 A 12 12 VAL CB C 46 29.280 31.438 -2.158 1
1 78 . 6 1 1 A 13 13 GLY H H 47 7.330 7.969 -0.639 1
1 79 . 6 1 1 A 13 13 GLY HA2 H 47 3.590 3.934 -0.344 1
1 80 . 6 1 1 A 13 13 GLY HA3 H 47 4.180 4.114 0.066 1
1 81 . 6 1 1 A 13 13 GLY CA C 47 46.400 47.034 -0.634 1
1 82 . 6 1 1 A 14 14 LYS H H 48 7.570 7.522 0.048 1
1 83 . 6 1 1 A 14 14 LYS HA H 48 4.066 4.208 -0.142 1
1 92 . 6 1 1 A 14 14 LYS CA C 48 57.337 58.404 -1.067 1
1 93 . 6 1 1 A 14 14 LYS CB C 48 30.490 32.634 -2.144 1
1 97 . 6 1 1 A 14 14 LYS N N 48 121.084 121.286 -0.202 1
1 98 . 6 1 1 A 15 15 ASP H H 49 7.309 7.537 -0.228 1
1 99 . 6 1 1 A 15 15 ASP HA H 49 4.770 4.680 0.090 1
1 102 . 6 1 1 A 15 15 ASP CA C 49 52.880 52.939 -0.059 1
1 103 . 6 1 1 A 15 15 ASP CB C 49 41.910 41.079 0.831 1
1 104 . 6 1 1 A 15 15 ASP N N 49 118.181 118.082 0.099 1
1 105 . 6 1 1 A 16 16 LYS H H 50 7.506 7.573 -0.067 1
1 106 . 6 1 1 A 16 16 LYS HA H 50 4.059 3.933 0.126 1
1 115 . 6 1 1 A 16 16 LYS CA C 50 60.180 60.970 -0.790 1
1 116 . 6 1 1 A 16 16 LYS CB C 50 30.193 31.674 -1.481 1
1 120 . 6 1 1 A 16 16 LYS N N 50 123.633 121.358 2.275 1
1 121 . 6 1 1 A 17 17 PRO HA H 51 4.430 4.281 0.149 1
1 128 . 6 1 1 A 17 17 PRO CA C 51 65.660 66.135 -0.475 1
1 129 . 6 1 1 A 17 17 PRO CB C 51 29.600 30.921 -1.321 1
1 132 . 6 1 1 A 18 18 THR H H 52 7.285 7.494 -0.209 1
1 133 . 6 1 1 A 18 18 THR HA H 52 3.977 4.046 -0.069 1
1 138 . 6 1 1 A 18 18 THR CA C 52 64.330 65.277 -0.947 1
1 139 . 6 1 1 A 18 18 THR CB C 52 67.170 68.206 -1.036 1
1 141 . 6 1 1 A 18 18 THR N N 52 115.095 112.307 2.788 1
1 142 . 6 1 1 A 19 19 TYR H H 53 7.083 7.285 -0.202 1
1 143 . 6 1 1 A 19 19 TYR HA H 53 4.728 4.347 0.381 1
1 150 . 6 1 1 A 19 19 TYR CA C 53 57.110 62.011 -4.901 1
1 151 . 6 1 1 A 19 19 TYR CB C 53 35.130 37.121 -1.991 1
1 156 . 6 1 1 A 19 19 TYR N N 53 125.380 119.674 5.706 1
1 157 . 6 1 1 A 20 20 ASP H H 54 9.596 8.789 0.807 1
1 158 . 6 1 1 A 20 20 ASP HA H 54 4.512 4.501 0.011 1
1 161 . 6 1 1 A 20 20 ASP CA C 54 55.515 57.768 -2.253 1
1 162 . 6 1 1 A 20 20 ASP CB C 54 38.740 41.423 -2.683 1
1 163 . 6 1 1 A 20 20 ASP N N 54 124.548 121.997 2.551 1
1 164 . 6 1 1 A 21 21 GLU H H 55 7.309 8.405 -1.096 1
1 165 . 6 1 1 A 21 21 GLU HA H 55 4.150 4.241 -0.091 1
1 170 . 6 1 1 A 21 21 GLU CA C 55 58.100 59.485 -1.385 1
1 171 . 6 1 1 A 21 21 GLU CB C 55 28.500 29.696 -1.196 1
1 173 . 6 1 1 A 21 21 GLU N N 55 118.181 119.322 -1.141 1
1 174 . 6 1 1 A 22 22 ILE H H 56 7.249 8.000 -0.751 1
1 175 . 6 1 1 A 22 22 ILE HA H 56 3.946 4.280 -0.334 1
1 185 . 6 1 1 A 22 22 ILE CA C 56 62.300 64.389 -2.089 1
1 186 . 6 1 1 A 22 22 ILE CB C 56 37.597 37.108 0.489 1
1 190 . 6 1 1 A 22 22 ILE N N 56 118.978 120.055 -1.077 1
1 191 . 6 1 1 A 23 23 PHE H H 57 9.117 8.215 0.902 1
1 192 . 6 1 1 A 23 23 PHE HA H 57 3.094 3.992 -0.898 1
1 200 . 6 1 1 A 23 23 PHE CA C 57 61.330 61.532 -0.202 1
1 201 . 6 1 1 A 23 23 PHE CB C 57 38.250 39.260 -1.010 1
1 207 . 6 1 1 A 23 23 PHE N N 57 127.639 122.579 5.060 1
1 208 . 6 1 1 A 24 24 TYR H H 58 7.922 8.359 -0.437 1
1 209 . 6 1 1 A 24 24 TYR HA H 58 4.000 4.276 -0.276 1
1 216 . 6 1 1 A 24 24 TYR CA C 58 60.480 61.204 -0.724 1
1 217 . 6 1 1 A 24 24 TYR CB C 58 36.086 38.216 -2.130 1
1 222 . 6 1 1 A 24 24 TYR N N 58 112.757 116.395 -3.638 1
1 223 . 6 1 1 A 25 25 THR H H 59 8.087 8.014 0.073 1
1 224 . 6 1 1 A 25 25 THR HA H 59 4.650 4.328 0.322 1
1 230 . 6 1 1 A 25 25 THR CA C 59 61.770 63.953 -2.183 1
1 231 . 6 1 1 A 25 25 THR CB C 59 68.900 68.729 0.171 1
1 233 . 6 1 1 A 25 25 THR N N 59 112.676 113.867 -1.191 1
1 234 . 6 1 1 A 26 26 LEU H H 60 7.381 7.101 0.280 1
1 235 . 6 1 1 A 26 26 LEU HA H 60 4.470 4.371 0.099 1
1 245 . 6 1 1 A 26 26 LEU CA C 60 52.500 54.108 -1.608 1
1 246 . 6 1 1 A 26 26 LEU CB C 60 38.700 42.099 -3.399 1
1 250 . 6 1 1 A 26 26 LEU N N 60 125.808 120.617 5.191 1
1 251 . 6 1 1 A 27 27 SER H H 61 7.870 7.748 0.122 1
1 252 . 6 1 1 A 27 27 SER HA H 61 3.980 4.227 -0.247 1
1 255 . 6 1 1 A 27 27 SER CA C 61 56.300 58.616 -2.316 1
1 256 . 6 1 1 A 27 27 SER CB C 61 60.230 61.857 -1.627 1
1 257 . 6 1 1 A 27 27 SER N N 61 111.582 113.145 -1.563 1
1 258 . 6 1 1 A 28 28 PRO HA H 62 4.200 4.855 -0.655 1
1 265 . 6 1 1 A 28 28 PRO CA C 62 61.600 62.064 -0.464 1
1 266 . 6 1 1 A 28 28 PRO CB C 62 29.890 32.156 -2.266 1
1 269 . 6 1 1 A 29 29 VAL H H 63 8.744 8.856 -0.112 1
1 270 . 6 1 1 A 29 29 VAL HA H 63 4.180 4.485 -0.305 1
1 278 . 6 1 1 A 29 29 VAL CA C 63 60.660 60.864 -0.204 1
1 279 . 6 1 1 A 29 29 VAL CB C 63 32.878 33.950 -1.072 1
1 282 . 6 1 1 A 29 29 VAL N N 63 124.299 122.579 1.720 1
1 283 . 6 1 1 A 30 30 ASN H H 64 9.713 9.506 0.207 1
1 284 . 6 1 1 A 30 30 ASN HA H 64 4.420 4.472 -0.052 1
1 289 . 6 1 1 A 30 30 ASN CA C 64 52.940 54.493 -1.553 1
1 290 . 6 1 1 A 30 30 ASN CB C 64 36.300 37.005 -0.705 1
1 291 . 6 1 1 A 30 30 ASN N N 64 129.729 126.869 2.860 1
1 293 . 6 1 1 A 31 31 GLY H H 65 8.867 8.667 0.200 1
1 294 . 6 1 1 A 31 31 GLY HA2 H 65 3.760 3.921 -0.161 1
1 295 . 6 1 1 A 31 31 GLY HA3 H 65 4.260 3.964 0.296 1
1 296 . 6 1 1 A 31 31 GLY CA C 65 44.260 45.610 -1.350 1
1 297 . 6 1 1 A 31 31 GLY N N 65 130.590 104.805 25.785 1
1 298 . 6 1 1 A 32 32 LYS H H 66 7.501 7.755 -0.254 1
1 299 . 6 1 1 A 32 32 LYS HA H 66 5.410 5.369 0.041 1
1 308 . 6 1 1 A 32 32 LYS CA C 66 53.780 54.605 -0.825 1
1 309 . 6 1 1 A 32 32 LYS CB C 66 36.540 36.333 0.207 1
1 313 . 6 1 1 A 32 32 LYS N N 66 118.738 119.639 -0.901 1
1 314 . 6 1 1 A 33 33 ILE H H 67 9.216 8.927 0.289 1
1 315 . 6 1 1 A 33 33 ILE HA H 67 5.008 4.732 0.276 1
1 325 . 6 1 1 A 33 33 ILE CA C 67 57.470 59.029 -1.559 1
1 326 . 6 1 1 A 33 33 ILE CB C 67 39.700 40.846 -1.146 1
1 330 . 6 1 1 A 33 33 ILE N N 67 118.166 118.837 -0.671 1
1 331 . 6 1 1 A 34 34 THR H H 68 8.255 8.588 -0.333 1
1 332 . 6 1 1 A 34 34 THR HA H 68 4.548 4.694 -0.146 1
1 338 . 6 1 1 A 34 34 THR CA C 68 58.970 59.907 -0.937 1
1 339 . 6 1 1 A 34 34 THR CB C 68 69.762 71.343 -1.581 1
1 341 . 6 1 1 A 34 34 THR N N 68 111.971 114.187 -2.216 1
1 342 . 6 1 1 A 35 35 GLY H H 69 8.940 8.917 0.023 1
1 343 . 6 1 1 A 35 35 GLY HA2 H 69 3.630 3.701 -0.071 1
1 344 . 6 1 1 A 35 35 GLY HA3 H 69 3.900 3.887 0.013 1
1 345 . 6 1 1 A 35 35 GLY CA C 69 46.900 47.108 -0.208 1
1 346 . 6 1 1 A 35 35 GLY N N 69 110.161 109.136 1.025 1
1 347 . 6 1 1 A 36 36 ALA H H 70 8.265 8.051 0.214 1
1 348 . 6 1 1 A 36 36 ALA HA H 70 3.870 3.973 -0.103 1
1 352 . 6 1 1 A 36 36 ALA CA C 70 53.700 54.709 -1.009 1
1 353 . 6 1 1 A 36 36 ALA CB C 70 17.080 18.423 -1.343 1
1 354 . 6 1 1 A 36 36 ALA N N 70 123.384 124.704 -1.320 1
1 355 . 6 1 1 A 37 37 ASN H H 71 7.574 7.652 -0.078 1
1 356 . 6 1 1 A 37 37 ASN HA H 71 4.690 4.538 0.152 1
1 361 . 6 1 1 A 37 37 ASN CA C 71 54.000 55.655 -1.655 1
1 362 . 6 1 1 A 37 37 ASN CB C 71 36.300 38.113 -1.813 1
1 363 . 6 1 1 A 37 37 ASN N N 71 118.852 117.249 1.603 1
1 365 . 6 1 1 A 38 38 ALA H H 72 8.853 7.665 1.188 1
1 366 . 6 1 1 A 38 38 ALA HA H 72 4.108 4.222 -0.114 1
1 370 . 6 1 1 A 38 38 ALA CA C 72 54.450 55.071 -0.621 1
1 371 . 6 1 1 A 38 38 ALA CB C 72 17.970 18.475 -0.505 1
1 372 . 6 1 1 A 38 38 ALA N N 72 123.903 122.748 1.155 1
1 373 . 6 1 1 A 39 39 LYS H H 73 8.837 7.942 0.895 1
1 374 . 6 1 1 A 39 39 LYS HA H 73 3.970 4.010 -0.040 1
1 383 . 6 1 1 A 39 39 LYS CA C 73 59.130 59.688 -0.558 1
1 384 . 6 1 1 A 39 39 LYS CB C 73 30.880 32.269 -1.389 1
1 388 . 6 1 1 A 39 39 LYS N N 73 120.578 118.130 2.448 1
1 389 . 6 1 1 A 40 40 LYS H H 74 7.209 8.124 -0.915 1
1 390 . 6 1 1 A 40 40 LYS HA H 74 3.988 4.040 -0.052 1
1 399 . 6 1 1 A 40 40 LYS CA C 74 58.130 59.331 -1.201 1
1 400 . 6 1 1 A 40 40 LYS CB C 74 30.900 32.211 -1.311 1
1 404 . 6 1 1 A 40 40 LYS N N 74 117.823 117.932 -0.109 1
1 405 . 6 1 1 A 41 41 GLU H H 75 7.089 8.097 -1.008 1
1 406 . 6 1 1 A 41 41 GLU HA H 75 4.450 4.109 0.341 1
1 411 . 6 1 1 A 41 41 GLU CA C 75 56.160 59.475 -3.315 1
1 412 . 6 1 1 A 41 41 GLU CB C 75 28.900 29.558 -0.658 1
1 414 . 6 1 1 A 41 41 GLU N N 75 117.306 119.549 -2.243 1
1 415 . 6 1 1 A 42 42 MET H H 76 8.854 8.406 0.448 1
1 416 . 6 1 1 A 42 42 MET HA H 76 4.010 4.184 -0.174 1
1 424 . 6 1 1 A 42 42 MET CA C 76 58.600 58.851 -0.251 1
1 425 . 6 1 1 A 42 42 MET CB C 76 33.770 32.029 1.741 1
1 428 . 6 1 1 A 42 42 MET N N 76 121.769 118.714 3.055 1
1 429 . 6 1 1 A 43 43 VAL H H 77 8.799 7.773 1.026 1
1 430 . 6 1 1 A 43 43 VAL HA H 77 4.110 3.958 0.152 1
1 438 . 6 1 1 A 43 43 VAL CA C 77 63.490 65.248 -1.758 1
1 439 . 6 1 1 A 43 43 VAL CB C 77 30.470 31.476 -1.006 1
1 442 . 6 1 1 A 43 43 VAL N N 77 116.182 115.028 1.154 1
1 443 . 6 1 1 A 44 44 LYS H H 78 7.498 7.866 -0.368 1
1 444 . 6 1 1 A 44 44 LYS HA H 78 4.130 4.260 -0.130 1
1 453 . 6 1 1 A 44 44 LYS CA C 78 57.670 57.578 0.092 1
1 454 . 6 1 1 A 44 44 LYS CB C 78 30.990 32.817 -1.827 1
1 458 . 6 1 1 A 44 44 LYS N N 78 124.581 122.745 1.836 1
1 459 . 6 1 1 A 45 45 SER H H 79 7.508 7.356 0.152 1
1 460 . 6 1 1 A 45 45 SER HA H 79 4.068 4.529 -0.461 1
1 463 . 6 1 1 A 45 45 SER CA C 79 59.440 58.504 0.936 1
1 464 . 6 1 1 A 45 45 SER CB C 79 64.580 63.342 1.238 1
1 465 . 6 1 1 A 45 45 SER N N 79 114.450 116.181 -1.731 1
1 466 . 6 1 1 A 46 46 LYS H H 80 7.802 7.884 -0.082 1
1 467 . 6 1 1 A 46 46 LYS HA H 80 3.920 3.934 -0.014 1
1 476 . 6 1 1 A 46 46 LYS CA C 80 56.810 57.727 -0.917 1
1 477 . 6 1 1 A 46 46 LYS CB C 80 27.840 29.351 -1.511 1
1 481 . 6 1 1 A 46 46 LYS N N 80 114.720 117.268 -2.548 1
1 482 . 6 1 1 A 47 47 LEU H H 81 7.468 7.846 -0.378 1
1 483 . 6 1 1 A 47 47 LEU HA H 81 4.480 4.610 -0.130 1
1 493 . 6 1 1 A 47 47 LEU CA C 81 52.000 52.097 -0.097 1
1 494 . 6 1 1 A 47 47 LEU CB C 81 40.400 42.315 -1.915 1
1 498 . 6 1 1 A 47 47 LEU N N 81 122.848 120.556 2.292 1
1 499 . 6 1 1 A 48 48 PRO HA H 82 4.510 4.569 -0.059 1
1 506 . 6 1 1 A 48 48 PRO CA C 82 60.910 62.856 -1.946 1
1 507 . 6 1 1 A 48 48 PRO CB C 82 31.550 32.794 -1.244 1
1 510 . 6 1 1 A 49 49 ASN H H 83 7.580 9.031 -1.451 1
1 511 . 6 1 1 A 49 49 ASN HA H 83 4.220 4.443 -0.223 1
1 516 . 6 1 1 A 49 49 ASN CA C 83 56.000 56.118 -0.118 1
1 517 . 6 1 1 A 49 49 ASN CB C 83 36.900 38.735 -1.835 1
1 519 . 6 1 1 A 50 50 THR H H 84 7.270 8.059 -0.789 1
1 520 . 6 1 1 A 50 50 THR HA H 84 4.000 3.949 0.051 1
1 525 . 6 1 1 A 50 50 THR CA C 84 63.474 67.158 -3.684 1
1 526 . 6 1 1 A 50 50 THR CB C 84 66.950 68.719 -1.769 1
1 528 . 6 1 1 A 51 51 VAL H H 85 6.827 8.164 -1.337 1
1 529 . 6 1 1 A 51 51 VAL HA H 85 3.620 3.735 -0.115 1
1 537 . 6 1 1 A 51 51 VAL CA C 85 64.100 66.822 -2.722 1
1 538 . 6 1 1 A 51 51 VAL CB C 85 30.500 31.326 -0.826 1
1 541 . 6 1 1 A 51 51 VAL N N 85 124.677 122.151 2.526 1
1 542 . 6 1 1 A 52 52 LEU H H 86 7.912 8.278 -0.366 1
1 543 . 6 1 1 A 52 52 LEU HA H 86 3.560 4.057 -0.497 1
1 553 . 6 1 1 A 52 52 LEU CA C 86 56.600 58.510 -1.910 1
1 554 . 6 1 1 A 52 52 LEU CB C 86 38.090 41.852 -3.762 1
1 558 . 6 1 1 A 52 52 LEU N N 86 121.680 120.525 1.155 1
1 559 . 6 1 1 A 53 53 GLY H H 87 8.429 8.205 0.224 1
1 560 . 6 1 1 A 53 53 GLY HA2 H 87 3.940 3.787 0.153 1
1 561 . 6 1 1 A 53 53 GLY HA3 H 87 4.130 3.818 0.312 1
1 562 . 6 1 1 A 53 53 GLY CA C 87 46.200 47.224 -1.024 1
1 563 . 6 1 1 A 53 53 GLY N N 87 107.113 106.052 1.061 1
1 564 . 6 1 1 A 54 54 LYS H H 88 7.260 7.998 -0.738 1
1 565 . 6 1 1 A 54 54 LYS HA H 88 4.150 4.013 0.137 1
1 574 . 6 1 1 A 54 54 LYS CA C 88 57.890 59.469 -1.579 1
1 575 . 6 1 1 A 54 54 LYS CB C 88 31.000 32.353 -1.353 1
1 579 . 6 1 1 A 54 54 LYS N N 88 124.980 121.855 3.125 1
1 580 . 6 1 1 A 55 55 ILE H H 89 8.019 8.317 -0.298 1
1 581 . 6 1 1 A 55 55 ILE HA H 89 3.476 3.637 -0.161 1
1 591 . 6 1 1 A 55 55 ILE CA C 89 65.360 65.393 -0.033 1
1 592 . 6 1 1 A 55 55 ILE CB C 89 36.300 37.755 -1.455 1
1 596 . 6 1 1 A 55 55 ILE N N 89 122.812 119.534 3.278 1
1 597 . 6 1 1 A 56 56 TRP H H 90 8.911 8.484 0.427 1
1 598 . 6 1 1 A 56 56 TRP HA H 90 3.810 4.173 -0.363 1
1 607 . 6 1 1 A 56 56 TRP CA C 90 60.260 60.315 -0.055 1
1 608 . 6 1 1 A 56 56 TRP CB C 90 27.000 29.798 -2.798 1
1 614 . 6 1 1 A 56 56 TRP N N 90 121.947 121.684 0.263 1
1 616 . 6 1 1 A 57 57 LYS H H 91 7.577 8.150 -0.573 1
1 617 . 6 1 1 A 57 57 LYS HA H 91 4.010 4.120 -0.110 1
1 626 . 6 1 1 A 57 57 LYS CA C 91 57.890 58.947 -1.057 1
1 627 . 6 1 1 A 57 57 LYS CB C 91 31.300 32.165 -0.865 1
1 631 . 6 1 1 A 57 57 LYS N N 91 117.344 119.804 -2.460 1
1 632 . 6 1 1 A 58 58 LEU H H 92 7.571 7.480 0.091 1
1 633 . 6 1 1 A 58 58 LEU HA H 92 3.995 4.286 -0.291 1
1 643 . 6 1 1 A 58 58 LEU CA C 92 55.780 55.428 0.352 1
1 644 . 6 1 1 A 58 58 LEU CB C 92 42.270 42.281 -0.011 1
1 648 . 6 1 1 A 58 58 LEU N N 92 119.520 118.650 0.870 1
1 649 . 6 1 1 A 59 59 ALA H H 93 8.135 7.409 0.726 1
1 650 . 6 1 1 A 59 59 ALA HA H 93 4.150 4.253 -0.103 1
1 654 . 6 1 1 A 59 59 ALA CA C 93 52.400 54.077 -1.677 1
1 655 . 6 1 1 A 59 59 ALA CB C 93 17.700 19.027 -1.327 1
1 656 . 6 1 1 A 59 59 ALA N N 93 120.351 120.409 -0.058 1
1 657 . 6 1 1 A 60 60 ASP H H 94 7.733 7.588 0.145 1
1 658 . 6 1 1 A 60 60 ASP HA H 94 4.560 4.372 0.188 1
1 661 . 6 1 1 A 60 60 ASP CA C 94 50.550 53.614 -3.064 1
1 662 . 6 1 1 A 60 60 ASP CB C 94 35.220 39.769 -4.549 1
1 663 . 6 1 1 A 60 60 ASP N N 94 115.750 117.316 -1.566 1
1 664 . 6 1 1 A 61 61 VAL H H 95 8.358 7.989 0.369 1
1 665 . 6 1 1 A 61 61 VAL HA H 95 3.500 3.767 -0.267 1
1 673 . 6 1 1 A 61 61 VAL CA C 95 64.360 66.014 -1.654 1
1 674 . 6 1 1 A 61 61 VAL CB C 95 31.330 31.746 -0.416 1
1 677 . 6 1 1 A 61 61 VAL N N 95 129.465 124.272 5.193 1
1 678 . 6 1 1 A 62 62 ASP H H 96 7.910 8.019 -0.109 1
1 679 . 6 1 1 A 62 62 ASP HA H 96 4.530 4.566 -0.036 1
1 682 . 6 1 1 A 62 62 ASP CA C 96 51.630 53.666 -2.036 1
1 683 . 6 1 1 A 62 62 ASP CB C 96 38.300 40.560 -2.260 1
1 684 . 6 1 1 A 62 62 ASP N N 96 115.789 117.225 -1.436 1
1 685 . 6 1 1 A 63 63 LYS H H 97 7.590 7.746 -0.156 1
1 686 . 6 1 1 A 63 63 LYS HA H 97 3.850 4.249 -0.399 1
1 695 . 6 1 1 A 63 63 LYS CA C 97 56.450 57.355 -0.905 1
1 696 . 6 1 1 A 63 63 LYS CB C 97 28.000 29.260 -1.260 1
1 700 . 6 1 1 A 63 63 LYS N N 97 115.885 115.230 0.655 1
1 701 . 6 1 1 A 64 64 ASP H H 98 8.379 8.273 0.106 1
1 702 . 6 1 1 A 64 64 ASP HA H 98 4.707 4.693 0.014 1
1 705 . 6 1 1 A 64 64 ASP CA C 98 52.060 52.972 -0.912 1
1 706 . 6 1 1 A 64 64 ASP CB C 98 39.500 40.478 -0.978 1
1 707 . 6 1 1 A 64 64 ASP N N 98 119.948 118.513 1.435 1
1 708 . 6 1 1 A 65 65 GLY H H 99 10.740 9.143 1.597 1
1 709 . 6 1 1 A 65 65 GLY HA2 H 99 3.990 4.025 -0.035 1
1 710 . 6 1 1 A 65 65 GLY HA3 H 99 4.360 4.204 0.156 1
1 711 . 6 1 1 A 65 65 GLY CA C 99 45.160 45.873 -0.713 1
1 712 . 6 1 1 A 65 65 GLY N N 99 115.529 111.562 3.967 1
1 713 . 6 1 1 A 66 66 LEU H H 100 8.197 7.656 0.541 1
1 714 . 6 1 1 A 66 66 LEU HA H 100 5.180 4.985 0.195 1
1 724 . 6 1 1 A 66 66 LEU CA C 100 52.200 53.023 -0.823 1
1 725 . 6 1 1 A 66 66 LEU CB C 100 44.290 44.723 -0.433 1
1 729 . 6 1 1 A 66 66 LEU N N 100 123.347 122.121 1.226 1
1 730 . 6 1 1 A 67 67 LEU H H 101 8.697 9.180 -0.483 1
1 731 . 6 1 1 A 67 67 LEU HA H 101 5.796 4.997 0.799 1
1 741 . 6 1 1 A 67 67 LEU CA C 101 51.600 53.714 -2.114 1
1 742 . 6 1 1 A 67 67 LEU CB C 101 42.100 43.128 -1.028 1
1 746 . 6 1 1 A 67 67 LEU N N 101 121.209 123.327 -2.118 1
1 747 . 6 1 1 A 68 68 ASP H H 102 9.241 8.428 0.813 1
1 748 . 6 1 1 A 68 68 ASP HA H 102 5.620 4.799 0.821 1
1 751 . 6 1 1 A 68 68 ASP CA C 102 50.980 54.107 -3.127 1
1 752 . 6 1 1 A 68 68 ASP CB C 102 39.750 41.951 -2.201 1
1 753 . 6 1 1 A 68 68 ASP N N 102 124.386 125.276 -0.890 1
1 754 . 6 1 1 A 69 69 ASP H H 103 8.523 8.864 -0.341 1
1 755 . 6 1 1 A 69 69 ASP HA H 103 2.830 3.201 -0.371 1
1 758 . 6 1 1 A 69 69 ASP CA C 103 56.160 56.032 0.128 1
1 759 . 6 1 1 A 69 69 ASP CB C 103 37.160 39.440 -2.280 1
1 760 . 6 1 1 A 69 69 ASP N N 103 117.349 120.965 -3.616 1
1 761 . 6 1 1 A 70 70 GLU H H 104 8.003 7.909 0.094 1
1 762 . 6 1 1 A 70 70 GLU HA H 104 4.075 4.373 -0.298 1
1 767 . 6 1 1 A 70 70 GLU CA C 104 58.950 59.365 -0.415 1
1 768 . 6 1 1 A 70 70 GLU CB C 104 29.134 29.599 -0.465 1
1 770 . 6 1 1 A 70 70 GLU N N 104 124.806 120.542 4.264 1
1 771 . 6 1 1 A 71 71 GLU H H 105 8.758 8.139 0.619 1
1 772 . 6 1 1 A 71 71 GLU HA H 105 4.030 4.138 -0.108 1
1 777 . 6 1 1 A 71 71 GLU CA C 105 58.570 58.772 -0.202 1
1 778 . 6 1 1 A 71 71 GLU CB C 105 30.270 29.525 0.745 1
1 780 . 6 1 1 A 71 71 GLU N N 105 123.541 120.173 3.368 1
1 781 . 6 1 1 A 72 72 PHE H H 106 9.416 8.841 0.575 1
1 782 . 6 1 1 A 72 72 PHE HA H 106 4.230 4.151 0.079 1
1 790 . 6 1 1 A 72 72 PHE CA C 106 60.000 61.523 -1.523 1
1 791 . 6 1 1 A 72 72 PHE CB C 106 38.440 38.892 -0.452 1
1 797 . 6 1 1 A 72 72 PHE N N 106 120.706 122.274 -1.568 1
1 798 . 6 1 1 A 73 73 ALA H H 107 8.085 8.101 -0.016 1
1 799 . 6 1 1 A 73 73 ALA HA H 107 3.778 3.867 -0.089 1
1 803 . 6 1 1 A 73 73 ALA CA C 107 54.010 55.040 -1.030 1
1 804 . 6 1 1 A 73 73 ALA CB C 107 16.691 18.000 -1.309 1
1 805 . 6 1 1 A 73 73 ALA N N 107 126.845 121.176 5.669 1
1 806 . 6 1 1 A 74 74 LEU H H 108 8.443 7.953 0.490 1
1 807 . 6 1 1 A 74 74 LEU HA H 108 4.048 3.758 0.290 1
1 817 . 6 1 1 A 74 74 LEU CA C 108 56.811 57.789 -0.978 1
1 818 . 6 1 1 A 74 74 LEU CB C 108 41.090 41.903 -0.813 1
1 822 . 6 1 1 A 74 74 LEU N N 108 121.249 119.980 1.269 1
1 823 . 6 1 1 A 75 75 ALA H H 109 8.677 8.296 0.381 1
1 824 . 6 1 1 A 75 75 ALA HA H 109 3.648 3.942 -0.294 1
1 828 . 6 1 1 A 75 75 ALA CA C 109 54.220 55.641 -1.421 1
1 829 . 6 1 1 A 75 75 ALA CB C 109 15.367 18.088 -2.721 1
1 830 . 6 1 1 A 75 75 ALA N N 109 122.981 121.181 1.800 1
1 831 . 6 1 1 A 76 76 ASN H H 110 7.270 8.200 -0.930 1
1 832 . 6 1 1 A 76 76 ASN HA H 110 3.800 4.126 -0.326 1
1 837 . 6 1 1 A 76 76 ASN CA C 110 55.500 55.862 -0.362 1
1 838 . 6 1 1 A 76 76 ASN CB C 110 36.610 37.322 -0.712 1
1 839 . 6 1 1 A 76 76 ASN N N 110 115.791 116.729 -0.938 1
1 841 . 6 1 1 A 77 77 HIS H H 111 8.363 7.510 0.853 1
1 842 . 6 1 1 A 77 77 HIS HA H 111 4.092 4.046 0.046 1
1 847 . 6 1 1 A 77 77 HIS CA C 111 59.180 59.591 -0.411 1
1 848 . 6 1 1 A 77 77 HIS CB C 111 30.420 30.496 -0.076 1
1 851 . 6 1 1 A 77 77 HIS N N 111 124.686 120.872 3.814 1
1 852 . 6 1 1 A 78 78 LEU H H 112 8.278 8.186 0.092 1
1 853 . 6 1 1 A 78 78 LEU HA H 112 3.820 3.800 0.020 1
1 863 . 6 1 1 A 78 78 LEU CA C 112 56.115 57.762 -1.647 1
1 864 . 6 1 1 A 78 78 LEU CB C 112 41.000 41.353 -0.353 1
1 868 . 6 1 1 A 78 78 LEU N N 112 119.085 119.496 -0.411 1
1 869 . 6 1 1 A 79 79 ILE H H 113 7.799 7.974 -0.175 1
1 870 . 6 1 1 A 79 79 ILE HA H 113 3.270 3.509 -0.239 1
1 880 . 6 1 1 A 79 79 ILE CA C 113 65.020 64.667 0.353 1
1 881 . 6 1 1 A 79 79 ILE CB C 113 36.730 36.993 -0.263 1
1 885 . 6 1 1 A 79 79 ILE N N 113 121.304 120.406 0.898 1
1 886 . 6 1 1 A 80 80 LYS H H 114 7.546 8.285 -0.739 1
1 887 . 6 1 1 A 80 80 LYS HA H 114 3.820 3.964 -0.144 1
1 896 . 6 1 1 A 80 80 LYS CA C 114 58.970 59.726 -0.756 1
1 897 . 6 1 1 A 80 80 LYS CB C 114 30.470 32.183 -1.713 1
1 901 . 6 1 1 A 80 80 LYS N N 114 122.150 121.566 0.584 1
1 902 . 6 1 1 A 81 81 VAL H H 115 8.110 7.620 0.490 1
1 903 . 6 1 1 A 81 81 VAL HA H 115 3.736 3.766 -0.030 1
1 911 . 6 1 1 A 81 81 VAL CA C 115 64.500 65.886 -1.386 1
1 912 . 6 1 1 A 81 81 VAL CB C 115 30.050 31.373 -1.323 1
1 915 . 6 1 1 A 81 81 VAL N N 115 118.999 118.376 0.623 1
1 916 . 6 1 1 A 82 82 LYS H H 116 7.853 7.624 0.229 1
1 917 . 6 1 1 A 82 82 LYS HA H 116 4.520 4.622 -0.102 1
1 926 . 6 1 1 A 82 82 LYS CA C 116 56.000 59.901 -3.901 1
1 927 . 6 1 1 A 82 82 LYS CB C 116 30.340 32.373 -2.033 1
1 931 . 6 1 1 A 82 82 LYS N N 116 123.030 121.898 1.132 1
1 932 . 6 1 1 A 83 83 LEU H H 117 8.959 8.097 0.862 1
1 933 . 6 1 1 A 83 83 LEU HA H 117 4.080 4.049 0.031 1
1 943 . 6 1 1 A 83 83 LEU CA C 117 56.620 57.105 -0.485 1
1 944 . 6 1 1 A 83 83 LEU CB C 117 40.361 41.434 -1.073 1
1 948 . 6 1 1 A 83 83 LEU N N 117 125.378 120.007 5.371 1
1 949 . 6 1 1 A 84 84 GLU H H 118 7.817 7.564 0.253 1
1 950 . 6 1 1 A 84 84 GLU HA H 118 4.156 4.316 -0.160 1
1 955 . 6 1 1 A 84 84 GLU CA C 118 55.100 56.151 -1.051 1
1 956 . 6 1 1 A 84 84 GLU CB C 118 28.600 30.092 -1.492 1
1 958 . 6 1 1 A 84 84 GLU N N 118 119.766 117.022 2.744 1
1 959 . 6 1 1 A 85 85 GLY H H 119 7.862 7.862 0.000 1
1 960 . 6 1 1 A 85 85 GLY HA2 H 119 3.640 3.656 -0.016 1
1 961 . 6 1 1 A 85 85 GLY HA3 H 119 4.140 3.751 0.389 1
1 962 . 6 1 1 A 85 85 GLY CA C 119 43.690 45.822 -2.132 1
1 963 . 6 1 1 A 85 85 GLY N N 119 107.933 108.147 -0.214 1
1 964 . 6 1 1 A 86 86 HIS H H 120 7.714 7.807 -0.093 1
1 965 . 6 1 1 A 86 86 HIS HA H 120 4.670 5.024 -0.354 1
1 970 . 6 1 1 A 86 86 HIS CA C 120 53.780 54.893 -1.113 1
1 971 . 6 1 1 A 86 86 HIS CB C 120 29.390 33.483 -4.093 1
1 973 . 6 1 1 A 86 86 HIS N N 120 122.124 117.179 4.945 1
1 974 . 6 1 1 A 87 87 GLU H H 121 8.491 9.087 -0.596 1
1 975 . 6 1 1 A 87 87 GLU HA H 121 4.300 4.960 -0.660 1
1 980 . 6 1 1 A 87 87 GLU CA C 121 54.000 54.933 -0.933 1
1 981 . 6 1 1 A 87 87 GLU CB C 121 29.120 33.072 -3.952 1
1 983 . 6 1 1 A 87 87 GLU N N 121 121.826 119.167 2.659 1
1 984 . 6 1 1 A 88 88 LEU H H 122 8.659 8.839 -0.180 1
1 985 . 6 1 1 A 88 88 LEU HA H 122 4.417 4.868 -0.451 1
1 995 . 6 1 1 A 88 88 LEU CA C 122 50.777 52.657 -1.880 1
1 996 . 6 1 1 A 88 88 LEU CB C 122 39.986 42.114 -2.128 1
1 1000 . 6 1 1 A 88 88 LEU N N 122 125.316 119.090 6.226 1
1 1001 . 6 1 1 A 89 89 PRO HA H 123 4.570 4.390 0.180 1
1 1008 . 6 1 1 A 89 89 PRO CA C 123 60.690 63.919 -3.229 1
1 1009 . 6 1 1 A 89 89 PRO CB C 123 30.320 31.906 -1.586 1
1 1012 . 6 1 1 A 90 90 ALA H H 124 8.464 7.973 0.491 1
1 1013 . 6 1 1 A 90 90 ALA HA H 124 4.068 3.986 0.082 1
1 1017 . 6 1 1 A 90 90 ALA CA C 124 52.700 53.635 -0.935 1
1 1018 . 6 1 1 A 90 90 ALA CB C 124 17.760 17.879 -0.119 1
1 1019 . 6 1 1 A 90 90 ALA N N 124 123.603 120.204 3.399 1
1 1020 . 6 1 1 A 91 91 ASP H H 125 7.482 7.799 -0.317 1
1 1021 . 6 1 1 A 91 91 ASP HA H 125 4.630 5.156 -0.526 1
1 1024 . 6 1 1 A 91 91 ASP CA C 125 50.340 52.782 -2.442 1
1 1025 . 6 1 1 A 91 91 ASP CB C 125 42.620 44.970 -2.350 1
1 1026 . 6 1 1 A 91 91 ASP N N 125 115.317 116.275 -0.958 1
1 1027 . 6 1 1 A 92 92 LEU H H 126 8.883 9.038 -0.155 1
1 1028 . 6 1 1 A 92 92 LEU HA H 126 4.196 4.871 -0.675 1
1 1038 . 6 1 1 A 92 92 LEU CA C 126 51.930 51.576 0.354 1
1 1039 . 6 1 1 A 92 92 LEU CB C 126 41.032 42.879 -1.847 1
1 1043 . 6 1 1 A 92 92 LEU N N 126 125.329 123.223 2.106 1
1 1044 . 6 1 1 A 93 93 PRO HA H 127 4.860 4.499 0.361 1
1 1051 . 6 1 1 A 93 93 PRO CA C 127 59.820 61.785 -1.965 1
1 1052 . 6 1 1 A 93 93 PRO CB C 127 29.800 32.158 -2.358 1
1 1055 . 6 1 1 A 94 94 PRO HA H 128 4.220 4.138 0.082 1
1 1062 . 6 1 1 A 94 94 PRO CA C 128 64.560 65.222 -0.662 1
1 1063 . 6 1 1 A 94 94 PRO CB C 128 30.900 31.795 -0.895 1
1 1066 . 6 1 1 A 95 95 HIS H H 129 7.922 8.151 -0.229 1
1 1067 . 6 1 1 A 95 95 HIS HA H 129 4.650 4.554 0.096 1
1 1072 . 6 1 1 A 95 95 HIS CA C 129 56.810 56.352 0.458 1
1 1073 . 6 1 1 A 95 95 HIS CB C 129 28.100 29.745 -1.645 1
1 1076 . 6 1 1 A 95 95 HIS N N 129 112.757 114.698 -1.941 1
1 1077 . 6 1 1 A 96 96 LEU H H 130 7.717 7.780 -0.063 1
1 1078 . 6 1 1 A 96 96 LEU HA H 130 4.646 4.324 0.322 1
1 1088 . 6 1 1 A 96 96 LEU CA C 130 52.920 55.185 -2.265 1
1 1089 . 6 1 1 A 96 96 LEU CB C 130 42.210 42.938 -0.728 1
1 1093 . 6 1 1 A 96 96 LEU N N 130 121.128 119.421 1.707 1
1 1094 . 6 1 1 A 97 97 VAL H H 131 7.173 7.200 -0.027 1
1 1095 . 6 1 1 A 97 97 VAL HA H 131 3.720 4.197 -0.477 1
1 1103 . 6 1 1 A 97 97 VAL CA C 131 60.520 61.239 -0.719 1
1 1104 . 6 1 1 A 97 97 VAL CB C 131 31.310 32.396 -1.086 1
1 1107 . 6 1 1 A 97 97 VAL N N 131 125.460 120.782 4.678 1
1 1108 . 6 1 1 A 98 98 PRO HA H 132 2.720 3.929 -1.209 1
1 1115 . 6 1 1 A 98 98 PRO CA C 132 59.400 61.787 -2.387 1
1 1116 . 6 1 1 A 98 98 PRO CB C 132 30.250 32.347 -2.097 1
1 1119 . 6 1 1 A 99 99 PRO HA H 133 3.610 4.165 -0.555 1
1 1126 . 6 1 1 A 99 99 PRO CA C 133 64.760 64.519 0.241 1
1 1127 . 6 1 1 A 99 99 PRO CB C 133 30.770 31.470 -0.700 1
1 1130 . 6 1 1 A 100 100 SER H H 134 9.222 7.958 1.264 1
1 1131 . 6 1 1 A 100 100 SER HA H 134 4.140 4.255 -0.115 1
1 1134 . 6 1 1 A 100 100 SER CA C 134 59.660 59.979 -0.319 1
1 1135 . 6 1 1 A 100 100 SER CB C 134 61.320 62.945 -1.625 1
1 1136 . 6 1 1 A 100 100 SER N N 134 115.005 111.174 3.831 1
1 1137 . 6 1 1 A 101 101 LYS H H 135 7.867 7.444 0.423 1
1 1138 . 6 1 1 A 101 101 LYS HA H 135 4.470 4.544 -0.074 1
1 1147 . 6 1 1 A 101 101 LYS CA C 135 52.490 55.189 -2.699 1
1 1148 . 6 1 1 A 101 101 LYS CB C 135 30.600 32.240 -1.640 1
1 1152 . 6 1 1 A 101 101 LYS N N 135 121.053 119.285 1.768 1
1 1153 . 6 1 1 A 102 102 ARG H H 136 7.077 7.486 -0.409 1
1 1154 . 6 1 1 A 102 102 ARG HA H 136 4.110 4.622 -0.512 1
1 1165 . 6 1 1 A 102 102 ARG CA C 136 55.440 55.308 0.132 1
1 1166 . 6 1 1 A 102 102 ARG CB C 136 29.100 31.838 -2.738 1
1 1169 . 6 1 1 A 102 102 ARG N N 136 121.944 119.653 2.291 1
1 1170 . 6 1 1 A 103 103 ARG H H 137 8.289 8.444 -0.155 1
1 1171 . 6 1 1 A 103 103 ARG HA H 137 4.274 4.978 -0.704 1
1 1182 . 6 1 1 A 103 103 ARG CA C 137 54.100 54.822 -0.722 1
1 1183 . 6 1 1 A 103 103 ARG CB C 137 29.700 33.395 -3.695 1
1 1186 . 6 1 1 A 103 103 ARG N N 137 123.504 120.990 2.514 1
1 1187 . 6 1 1 A 104 104 HIS H H 138 8.370 8.920 -0.550 1
1 1188 . 6 1 1 A 104 104 HIS HA H 138 4.662 5.153 -0.491 1
1 1192 . 6 1 1 A 104 104 HIS CA C 138 54.110 54.947 -0.837 1
1 1193 . 6 1 1 A 104 104 HIS CB C 138 28.730 33.155 -4.425 1
1 1 . 7 1 1 A 6 6 ASP HA H 40 4.430 4.971 -0.541 1
1 2 . 7 1 1 A 7 7 ASP H H 41 8.479 8.527 -0.048 1
1 3 . 7 1 1 A 7 7 ASP HA H 41 4.640 5.194 -0.554 1
1 6 . 7 1 1 A 7 7 ASP CA C 41 52.900 52.943 -0.043 1
1 7 . 7 1 1 A 7 7 ASP CB C 41 39.760 42.016 -2.256 1
1 8 . 7 1 1 A 7 7 ASP N N 41 124.447 126.170 -1.723 1
1 9 . 7 1 1 A 8 8 VAL H H 42 7.916 8.638 -0.722 1
1 10 . 7 1 1 A 8 8 VAL HA H 42 4.142 4.649 -0.507 1
1 18 . 7 1 1 A 8 8 VAL CA C 42 60.460 61.377 -0.917 1
1 19 . 7 1 1 A 8 8 VAL CB C 42 31.579 32.422 -0.843 1
1 22 . 7 1 1 A 8 8 VAL N N 42 120.853 126.974 -6.121 1
1 23 . 7 1 1 A 9 9 GLU H H 43 8.476 9.188 -0.712 1
1 24 . 7 1 1 A 9 9 GLU HA H 43 4.290 5.027 -0.737 1
1 29 . 7 1 1 A 9 9 GLU CA C 43 55.300 54.428 0.872 1
1 30 . 7 1 1 A 9 9 GLU CB C 43 29.120 33.643 -4.523 1
1 32 . 7 1 1 A 9 9 GLU N N 43 127.650 122.617 5.033 1
1 33 . 7 1 1 A 10 10 TRP H H 44 8.839 9.001 -0.162 1
1 34 . 7 1 1 A 10 10 TRP HA H 44 5.230 4.933 0.297 1
1 43 . 7 1 1 A 10 10 TRP CA C 44 54.430 56.090 -1.660 1
1 44 . 7 1 1 A 10 10 TRP CB C 44 27.230 30.975 -3.745 1
1 50 . 7 1 1 A 10 10 TRP N N 44 126.378 124.334 2.044 1
1 51 . 7 1 1 A 11 11 VAL H H 45 9.230 8.548 0.682 1
1 52 . 7 1 1 A 11 11 VAL HA H 45 3.891 3.906 -0.015 1
1 60 . 7 1 1 A 11 11 VAL CA C 45 63.500 64.118 -0.618 1
1 61 . 7 1 1 A 11 11 VAL CB C 45 30.420 31.657 -1.237 1
1 64 . 7 1 1 A 11 11 VAL N N 45 131.353 125.563 5.790 1
1 65 . 7 1 1 A 12 12 VAL H H 46 5.020 6.951 -1.931 1
1 66 . 7 1 1 A 12 12 VAL HA H 46 3.040 3.786 -0.746 1
1 74 . 7 1 1 A 12 12 VAL CA C 46 60.690 62.683 -1.993 1
1 75 . 7 1 1 A 12 12 VAL CB C 46 29.280 31.280 -2.000 1
1 78 . 7 1 1 A 13 13 GLY H H 47 7.330 8.155 -0.825 1
1 79 . 7 1 1 A 13 13 GLY HA2 H 47 3.590 3.753 -0.163 1
1 80 . 7 1 1 A 13 13 GLY HA3 H 47 4.180 3.798 0.382 1
1 81 . 7 1 1 A 13 13 GLY CA C 47 46.400 46.799 -0.399 1
1 82 . 7 1 1 A 14 14 LYS H H 48 7.570 8.586 -1.016 1
1 83 . 7 1 1 A 14 14 LYS HA H 48 4.066 4.088 -0.022 1
1 92 . 7 1 1 A 14 14 LYS CA C 48 57.337 58.661 -1.324 1
1 93 . 7 1 1 A 14 14 LYS CB C 48 30.490 31.950 -1.460 1
1 97 . 7 1 1 A 14 14 LYS N N 48 121.084 118.650 2.434 1
1 98 . 7 1 1 A 15 15 ASP H H 49 7.309 7.400 -0.091 1
1 99 . 7 1 1 A 15 15 ASP HA H 49 4.770 4.769 0.001 1
1 102 . 7 1 1 A 15 15 ASP CA C 49 52.880 53.413 -0.533 1
1 103 . 7 1 1 A 15 15 ASP CB C 49 41.910 41.254 0.656 1
1 104 . 7 1 1 A 15 15 ASP N N 49 118.181 118.760 -0.579 1
1 105 . 7 1 1 A 16 16 LYS H H 50 7.506 7.844 -0.338 1
1 106 . 7 1 1 A 16 16 LYS HA H 50 4.059 3.978 0.081 1
1 115 . 7 1 1 A 16 16 LYS CA C 50 60.180 61.338 -1.158 1
1 116 . 7 1 1 A 16 16 LYS CB C 50 30.193 31.304 -1.111 1
1 120 . 7 1 1 A 16 16 LYS N N 50 123.633 119.706 3.927 1
1 121 . 7 1 1 A 17 17 PRO HA H 51 4.430 4.397 0.033 1
1 128 . 7 1 1 A 17 17 PRO CA C 51 65.660 65.379 0.281 1
1 129 . 7 1 1 A 17 17 PRO CB C 51 29.600 31.144 -1.544 1
1 132 . 7 1 1 A 18 18 THR H H 52 7.285 7.822 -0.537 1
1 133 . 7 1 1 A 18 18 THR HA H 52 3.977 4.106 -0.129 1
1 138 . 7 1 1 A 18 18 THR CA C 52 64.330 65.070 -0.740 1
1 139 . 7 1 1 A 18 18 THR CB C 52 67.170 68.041 -0.871 1
1 141 . 7 1 1 A 18 18 THR N N 52 115.095 110.423 4.672 1
1 142 . 7 1 1 A 19 19 TYR H H 53 7.083 7.192 -0.109 1
1 143 . 7 1 1 A 19 19 TYR HA H 53 4.728 4.340 0.388 1
1 150 . 7 1 1 A 19 19 TYR CA C 53 57.110 61.892 -4.782 1
1 151 . 7 1 1 A 19 19 TYR CB C 53 35.130 37.170 -2.040 1
1 156 . 7 1 1 A 19 19 TYR N N 53 125.380 119.747 5.633 1
1 157 . 7 1 1 A 20 20 ASP H H 54 9.596 8.492 1.104 1
1 158 . 7 1 1 A 20 20 ASP HA H 54 4.512 4.713 -0.201 1
1 161 . 7 1 1 A 20 20 ASP CA C 54 55.515 57.578 -2.063 1
1 162 . 7 1 1 A 20 20 ASP CB C 54 38.740 40.613 -1.873 1
1 163 . 7 1 1 A 20 20 ASP N N 54 124.548 121.154 3.394 1
1 164 . 7 1 1 A 21 21 GLU H H 55 7.309 8.315 -1.006 1
1 165 . 7 1 1 A 21 21 GLU HA H 55 4.150 4.146 0.004 1
1 170 . 7 1 1 A 21 21 GLU CA C 55 58.100 59.430 -1.330 1
1 171 . 7 1 1 A 21 21 GLU CB C 55 28.500 29.429 -0.929 1
1 173 . 7 1 1 A 21 21 GLU N N 55 118.181 119.551 -1.370 1
1 174 . 7 1 1 A 22 22 ILE H H 56 7.249 7.876 -0.627 1
1 175 . 7 1 1 A 22 22 ILE HA H 56 3.946 4.038 -0.092 1
1 185 . 7 1 1 A 22 22 ILE CA C 56 62.300 63.812 -1.512 1
1 186 . 7 1 1 A 22 22 ILE CB C 56 37.597 36.442 1.155 1
1 190 . 7 1 1 A 22 22 ILE N N 56 118.978 120.941 -1.963 1
1 191 . 7 1 1 A 23 23 PHE H H 57 9.117 8.470 0.647 1
1 192 . 7 1 1 A 23 23 PHE HA H 57 3.094 4.012 -0.918 1
1 200 . 7 1 1 A 23 23 PHE CA C 57 61.330 61.710 -0.380 1
1 201 . 7 1 1 A 23 23 PHE CB C 57 38.250 39.016 -0.766 1
1 207 . 7 1 1 A 23 23 PHE N N 57 127.639 122.446 5.193 1
1 208 . 7 1 1 A 24 24 TYR H H 58 7.922 8.497 -0.575 1
1 209 . 7 1 1 A 24 24 TYR HA H 58 4.000 4.197 -0.197 1
1 216 . 7 1 1 A 24 24 TYR CA C 58 60.480 61.316 -0.836 1
1 217 . 7 1 1 A 24 24 TYR CB C 58 36.086 38.069 -1.983 1
1 222 . 7 1 1 A 24 24 TYR N N 58 112.757 116.528 -3.771 1
1 223 . 7 1 1 A 25 25 THR H H 59 8.087 7.693 0.394 1
1 224 . 7 1 1 A 25 25 THR HA H 59 4.650 4.357 0.293 1
1 230 . 7 1 1 A 25 25 THR CA C 59 61.770 63.047 -1.277 1
1 231 . 7 1 1 A 25 25 THR CB C 59 68.900 69.177 -0.277 1
1 233 . 7 1 1 A 25 25 THR N N 59 112.676 112.956 -0.280 1
1 234 . 7 1 1 A 26 26 LEU H H 60 7.381 7.065 0.316 1
1 235 . 7 1 1 A 26 26 LEU HA H 60 4.470 4.359 0.111 1
1 245 . 7 1 1 A 26 26 LEU CA C 60 52.500 54.061 -1.561 1
1 246 . 7 1 1 A 26 26 LEU CB C 60 38.700 42.053 -3.353 1
1 250 . 7 1 1 A 26 26 LEU N N 60 125.808 120.937 4.871 1
1 251 . 7 1 1 A 27 27 SER H H 61 7.870 7.512 0.358 1
1 252 . 7 1 1 A 27 27 SER HA H 61 3.980 4.018 -0.038 1
1 255 . 7 1 1 A 27 27 SER CA C 61 56.300 58.984 -2.684 1
1 256 . 7 1 1 A 27 27 SER CB C 61 60.230 61.580 -1.350 1
1 257 . 7 1 1 A 27 27 SER N N 61 111.582 114.485 -2.903 1
1 258 . 7 1 1 A 28 28 PRO HA H 62 4.200 4.854 -0.654 1
1 265 . 7 1 1 A 28 28 PRO CA C 62 61.600 61.846 -0.246 1
1 266 . 7 1 1 A 28 28 PRO CB C 62 29.890 31.778 -1.888 1
1 269 . 7 1 1 A 29 29 VAL H H 63 8.744 8.381 0.363 1
1 270 . 7 1 1 A 29 29 VAL HA H 63 4.180 4.471 -0.291 1
1 278 . 7 1 1 A 29 29 VAL CA C 63 60.660 59.847 0.813 1
1 279 . 7 1 1 A 29 29 VAL CB C 63 32.878 34.188 -1.310 1
1 282 . 7 1 1 A 29 29 VAL N N 63 124.299 116.762 7.537 1
1 283 . 7 1 1 A 30 30 ASN H H 64 9.713 9.472 0.241 1
1 284 . 7 1 1 A 30 30 ASN HA H 64 4.420 4.472 -0.052 1
1 289 . 7 1 1 A 30 30 ASN CA C 64 52.940 54.555 -1.615 1
1 290 . 7 1 1 A 30 30 ASN CB C 64 36.300 37.115 -0.815 1
1 291 . 7 1 1 A 30 30 ASN N N 64 129.729 120.893 8.836 1
1 293 . 7 1 1 A 31 31 GLY H H 65 8.867 8.695 0.172 1
1 294 . 7 1 1 A 31 31 GLY HA2 H 65 3.760 3.960 -0.200 1
1 295 . 7 1 1 A 31 31 GLY HA3 H 65 4.260 4.003 0.257 1
1 296 . 7 1 1 A 31 31 GLY CA C 65 44.260 46.256 -1.996 1
1 297 . 7 1 1 A 31 31 GLY N N 65 130.590 104.316 26.274 1
1 298 . 7 1 1 A 32 32 LYS H H 66 7.501 7.462 0.039 1
1 299 . 7 1 1 A 32 32 LYS HA H 66 5.410 5.137 0.273 1
1 308 . 7 1 1 A 32 32 LYS CA C 66 53.780 55.111 -1.331 1
1 309 . 7 1 1 A 32 32 LYS CB C 66 36.540 35.222 1.318 1
1 313 . 7 1 1 A 32 32 LYS N N 66 118.738 114.821 3.917 1
1 314 . 7 1 1 A 33 33 ILE H H 67 9.216 8.856 0.360 1
1 315 . 7 1 1 A 33 33 ILE HA H 67 5.008 4.877 0.131 1
1 325 . 7 1 1 A 33 33 ILE CA C 67 57.470 59.149 -1.679 1
1 326 . 7 1 1 A 33 33 ILE CB C 67 39.700 41.827 -2.127 1
1 330 . 7 1 1 A 33 33 ILE N N 67 118.166 115.193 2.973 1
1 331 . 7 1 1 A 34 34 THR H H 68 8.255 8.185 0.070 1
1 332 . 7 1 1 A 34 34 THR HA H 68 4.548 4.694 -0.146 1
1 338 . 7 1 1 A 34 34 THR CA C 68 58.970 60.014 -1.044 1
1 339 . 7 1 1 A 34 34 THR CB C 68 69.762 71.208 -1.446 1
1 341 . 7 1 1 A 34 34 THR N N 68 111.971 114.028 -2.057 1
1 342 . 7 1 1 A 35 35 GLY H H 69 8.940 8.945 -0.005 1
1 343 . 7 1 1 A 35 35 GLY HA2 H 69 3.630 3.801 -0.171 1
1 344 . 7 1 1 A 35 35 GLY HA3 H 69 3.900 4.090 -0.190 1
1 345 . 7 1 1 A 35 35 GLY CA C 69 46.900 47.042 -0.142 1
1 346 . 7 1 1 A 35 35 GLY N N 69 110.161 109.164 0.997 1
1 347 . 7 1 1 A 36 36 ALA H H 70 8.265 8.045 0.220 1
1 348 . 7 1 1 A 36 36 ALA HA H 70 3.870 4.002 -0.132 1
1 352 . 7 1 1 A 36 36 ALA CA C 70 53.700 54.724 -1.024 1
1 353 . 7 1 1 A 36 36 ALA CB C 70 17.080 18.778 -1.698 1
1 354 . 7 1 1 A 36 36 ALA N N 70 123.384 124.747 -1.363 1
1 355 . 7 1 1 A 37 37 ASN H H 71 7.574 7.948 -0.374 1
1 356 . 7 1 1 A 37 37 ASN HA H 71 4.690 4.561 0.129 1
1 361 . 7 1 1 A 37 37 ASN CA C 71 54.000 55.741 -1.741 1
1 362 . 7 1 1 A 37 37 ASN CB C 71 36.300 38.137 -1.837 1
1 363 . 7 1 1 A 37 37 ASN N N 71 118.852 117.336 1.516 1
1 365 . 7 1 1 A 38 38 ALA H H 72 8.853 7.687 1.166 1
1 366 . 7 1 1 A 38 38 ALA HA H 72 4.108 4.229 -0.121 1
1 370 . 7 1 1 A 38 38 ALA CA C 72 54.450 55.206 -0.756 1
1 371 . 7 1 1 A 38 38 ALA CB C 72 17.970 18.459 -0.489 1
1 372 . 7 1 1 A 38 38 ALA N N 72 123.903 122.431 1.472 1
1 373 . 7 1 1 A 39 39 LYS H H 73 8.837 7.864 0.973 1
1 374 . 7 1 1 A 39 39 LYS HA H 73 3.970 4.095 -0.125 1
1 383 . 7 1 1 A 39 39 LYS CA C 73 59.130 59.633 -0.503 1
1 384 . 7 1 1 A 39 39 LYS CB C 73 30.880 32.084 -1.204 1
1 388 . 7 1 1 A 39 39 LYS N N 73 120.578 118.110 2.468 1
1 389 . 7 1 1 A 40 40 LYS H H 74 7.209 8.230 -1.021 1
1 390 . 7 1 1 A 40 40 LYS HA H 74 3.988 4.072 -0.084 1
1 399 . 7 1 1 A 40 40 LYS CA C 74 58.130 59.215 -1.085 1
1 400 . 7 1 1 A 40 40 LYS CB C 74 30.900 32.116 -1.216 1
1 404 . 7 1 1 A 40 40 LYS N N 74 117.823 118.098 -0.275 1
1 405 . 7 1 1 A 41 41 GLU H H 75 7.089 8.009 -0.920 1
1 406 . 7 1 1 A 41 41 GLU HA H 75 4.450 4.129 0.321 1
1 411 . 7 1 1 A 41 41 GLU CA C 75 56.160 59.389 -3.229 1
1 412 . 7 1 1 A 41 41 GLU CB C 75 28.900 29.561 -0.661 1
1 414 . 7 1 1 A 41 41 GLU N N 75 117.306 119.644 -2.338 1
1 415 . 7 1 1 A 42 42 MET H H 76 8.854 8.386 0.468 1
1 416 . 7 1 1 A 42 42 MET HA H 76 4.010 4.273 -0.263 1
1 424 . 7 1 1 A 42 42 MET CA C 76 58.600 58.524 0.076 1
1 425 . 7 1 1 A 42 42 MET CB C 76 33.770 31.817 1.953 1
1 428 . 7 1 1 A 42 42 MET N N 76 121.769 118.629 3.140 1
1 429 . 7 1 1 A 43 43 VAL H H 77 8.799 7.926 0.873 1
1 430 . 7 1 1 A 43 43 VAL HA H 77 4.110 3.872 0.238 1
1 438 . 7 1 1 A 43 43 VAL CA C 77 63.490 65.573 -2.083 1
1 439 . 7 1 1 A 43 43 VAL CB C 77 30.470 31.751 -1.281 1
1 442 . 7 1 1 A 43 43 VAL N N 77 116.182 115.129 1.053 1
1 443 . 7 1 1 A 44 44 LYS H H 78 7.498 8.032 -0.534 1
1 444 . 7 1 1 A 44 44 LYS HA H 78 4.130 4.139 -0.009 1
1 453 . 7 1 1 A 44 44 LYS CA C 78 57.670 58.431 -0.761 1
1 454 . 7 1 1 A 44 44 LYS CB C 78 30.990 31.547 -0.557 1
1 458 . 7 1 1 A 44 44 LYS N N 78 124.581 122.330 2.251 1
1 459 . 7 1 1 A 45 45 SER H H 79 7.508 7.489 0.019 1
1 460 . 7 1 1 A 45 45 SER HA H 79 4.068 4.479 -0.411 1
1 463 . 7 1 1 A 45 45 SER CA C 79 59.440 58.501 0.939 1
1 464 . 7 1 1 A 45 45 SER CB C 79 64.580 63.379 1.201 1
1 465 . 7 1 1 A 45 45 SER N N 79 114.450 114.810 -0.360 1
1 466 . 7 1 1 A 46 46 LYS H H 80 7.802 7.837 -0.035 1
1 467 . 7 1 1 A 46 46 LYS HA H 80 3.920 3.814 0.106 1
1 476 . 7 1 1 A 46 46 LYS CA C 80 56.810 57.314 -0.504 1
1 477 . 7 1 1 A 46 46 LYS CB C 80 27.840 29.117 -1.277 1
1 481 . 7 1 1 A 46 46 LYS N N 80 114.720 118.048 -3.328 1
1 482 . 7 1 1 A 47 47 LEU H H 81 7.468 7.688 -0.220 1
1 483 . 7 1 1 A 47 47 LEU HA H 81 4.480 4.802 -0.322 1
1 493 . 7 1 1 A 47 47 LEU CA C 81 52.000 51.125 0.875 1
1 494 . 7 1 1 A 47 47 LEU CB C 81 40.400 44.649 -4.249 1
1 498 . 7 1 1 A 47 47 LEU N N 81 122.848 118.924 3.924 1
1 499 . 7 1 1 A 48 48 PRO HA H 82 4.510 4.553 -0.043 1
1 506 . 7 1 1 A 48 48 PRO CA C 82 60.910 62.931 -2.021 1
1 507 . 7 1 1 A 48 48 PRO CB C 82 31.550 32.492 -0.942 1
1 510 . 7 1 1 A 49 49 ASN H H 83 7.580 8.695 -1.115 1
1 511 . 7 1 1 A 49 49 ASN HA H 83 4.220 4.402 -0.182 1
1 516 . 7 1 1 A 49 49 ASN CA C 83 56.000 56.064 -0.064 1
1 517 . 7 1 1 A 49 49 ASN CB C 83 36.900 38.125 -1.225 1
1 519 . 7 1 1 A 50 50 THR H H 84 7.270 8.065 -0.795 1
1 520 . 7 1 1 A 50 50 THR HA H 84 4.000 3.968 0.032 1
1 525 . 7 1 1 A 50 50 THR CA C 84 63.474 67.207 -3.733 1
1 526 . 7 1 1 A 50 50 THR CB C 84 66.950 68.754 -1.804 1
1 528 . 7 1 1 A 51 51 VAL H H 85 6.827 8.095 -1.268 1
1 529 . 7 1 1 A 51 51 VAL HA H 85 3.620 3.801 -0.181 1
1 537 . 7 1 1 A 51 51 VAL CA C 85 64.100 67.033 -2.933 1
1 538 . 7 1 1 A 51 51 VAL CB C 85 30.500 31.537 -1.037 1
1 541 . 7 1 1 A 51 51 VAL N N 85 124.677 122.288 2.389 1
1 542 . 7 1 1 A 52 52 LEU H H 86 7.912 8.415 -0.503 1
1 543 . 7 1 1 A 52 52 LEU HA H 86 3.560 4.057 -0.497 1
1 553 . 7 1 1 A 52 52 LEU CA C 86 56.600 58.481 -1.881 1
1 554 . 7 1 1 A 52 52 LEU CB C 86 38.090 41.801 -3.711 1
1 558 . 7 1 1 A 52 52 LEU N N 86 121.680 119.423 2.257 1
1 559 . 7 1 1 A 53 53 GLY H H 87 8.429 8.640 -0.211 1
1 560 . 7 1 1 A 53 53 GLY HA2 H 87 3.940 3.701 0.239 1
1 561 . 7 1 1 A 53 53 GLY HA3 H 87 4.130 3.730 0.400 1
1 562 . 7 1 1 A 53 53 GLY CA C 87 46.200 47.294 -1.094 1
1 563 . 7 1 1 A 53 53 GLY N N 87 107.113 106.226 0.887 1
1 564 . 7 1 1 A 54 54 LYS H H 88 7.260 8.069 -0.809 1
1 565 . 7 1 1 A 54 54 LYS HA H 88 4.150 4.041 0.109 1
1 574 . 7 1 1 A 54 54 LYS CA C 88 57.890 59.435 -1.545 1
1 575 . 7 1 1 A 54 54 LYS CB C 88 31.000 32.208 -1.208 1
1 579 . 7 1 1 A 54 54 LYS N N 88 124.980 122.218 2.762 1
1 580 . 7 1 1 A 55 55 ILE H H 89 8.019 8.277 -0.258 1
1 581 . 7 1 1 A 55 55 ILE HA H 89 3.476 3.649 -0.173 1
1 591 . 7 1 1 A 55 55 ILE CA C 89 65.360 65.562 -0.202 1
1 592 . 7 1 1 A 55 55 ILE CB C 89 36.300 37.882 -1.582 1
1 596 . 7 1 1 A 55 55 ILE N N 89 122.812 119.729 3.083 1
1 597 . 7 1 1 A 56 56 TRP H H 90 8.911 8.548 0.363 1
1 598 . 7 1 1 A 56 56 TRP HA H 90 3.810 4.232 -0.422 1
1 607 . 7 1 1 A 56 56 TRP CA C 90 60.260 60.525 -0.265 1
1 608 . 7 1 1 A 56 56 TRP CB C 90 27.000 30.104 -3.104 1
1 614 . 7 1 1 A 56 56 TRP N N 90 121.947 121.537 0.410 1
1 616 . 7 1 1 A 57 57 LYS H H 91 7.577 8.010 -0.433 1
1 617 . 7 1 1 A 57 57 LYS HA H 91 4.010 4.211 -0.201 1
1 626 . 7 1 1 A 57 57 LYS CA C 91 57.890 58.908 -1.018 1
1 627 . 7 1 1 A 57 57 LYS CB C 91 31.300 32.067 -0.767 1
1 631 . 7 1 1 A 57 57 LYS N N 91 117.344 119.734 -2.390 1
1 632 . 7 1 1 A 58 58 LEU H H 92 7.571 7.456 0.115 1
1 633 . 7 1 1 A 58 58 LEU HA H 92 3.995 4.225 -0.230 1
1 643 . 7 1 1 A 58 58 LEU CA C 92 55.780 57.012 -1.232 1
1 644 . 7 1 1 A 58 58 LEU CB C 92 42.270 42.278 -0.008 1
1 648 . 7 1 1 A 58 58 LEU N N 92 119.520 119.224 0.296 1
1 649 . 7 1 1 A 59 59 ALA H H 93 8.135 7.989 0.146 1
1 650 . 7 1 1 A 59 59 ALA HA H 93 4.150 4.194 -0.044 1
1 654 . 7 1 1 A 59 59 ALA CA C 93 52.400 54.903 -2.503 1
1 655 . 7 1 1 A 59 59 ALA CB C 93 17.700 18.372 -0.672 1
1 656 . 7 1 1 A 59 59 ALA N N 93 120.351 120.900 -0.549 1
1 657 . 7 1 1 A 60 60 ASP H H 94 7.733 8.106 -0.373 1
1 658 . 7 1 1 A 60 60 ASP HA H 94 4.560 5.124 -0.564 1
1 661 . 7 1 1 A 60 60 ASP CA C 94 50.550 53.264 -2.714 1
1 662 . 7 1 1 A 60 60 ASP CB C 94 35.220 39.160 -3.940 1
1 663 . 7 1 1 A 60 60 ASP N N 94 115.750 117.251 -1.501 1
1 664 . 7 1 1 A 61 61 VAL H H 95 8.358 7.769 0.589 1
1 665 . 7 1 1 A 61 61 VAL HA H 95 3.500 3.681 -0.181 1
1 673 . 7 1 1 A 61 61 VAL CA C 95 64.360 66.197 -1.837 1
1 674 . 7 1 1 A 61 61 VAL CB C 95 31.330 31.780 -0.450 1
1 677 . 7 1 1 A 61 61 VAL N N 95 129.465 124.276 5.189 1
1 678 . 7 1 1 A 62 62 ASP H H 96 7.910 7.844 0.066 1
1 679 . 7 1 1 A 62 62 ASP HA H 96 4.530 4.576 -0.046 1
1 682 . 7 1 1 A 62 62 ASP CA C 96 51.630 54.972 -3.342 1
1 683 . 7 1 1 A 62 62 ASP CB C 96 38.300 40.996 -2.696 1
1 684 . 7 1 1 A 62 62 ASP N N 96 115.789 119.313 -3.524 1
1 685 . 7 1 1 A 63 63 LYS H H 97 7.590 7.583 0.007 1
1 686 . 7 1 1 A 63 63 LYS HA H 97 3.850 4.517 -0.667 1
1 695 . 7 1 1 A 63 63 LYS CA C 97 56.450 57.276 -0.826 1
1 696 . 7 1 1 A 63 63 LYS CB C 97 28.000 29.410 -1.410 1
1 700 . 7 1 1 A 63 63 LYS N N 97 115.885 115.081 0.804 1
1 701 . 7 1 1 A 64 64 ASP H H 98 8.379 8.402 -0.023 1
1 702 . 7 1 1 A 64 64 ASP HA H 98 4.707 4.616 0.091 1
1 705 . 7 1 1 A 64 64 ASP CA C 98 52.060 53.302 -1.242 1
1 706 . 7 1 1 A 64 64 ASP CB C 98 39.500 40.121 -0.621 1
1 707 . 7 1 1 A 64 64 ASP N N 98 119.948 118.355 1.593 1
1 708 . 7 1 1 A 65 65 GLY H H 99 10.740 8.494 2.246 1
1 709 . 7 1 1 A 65 65 GLY HA2 H 99 3.990 4.006 -0.016 1
1 710 . 7 1 1 A 65 65 GLY HA3 H 99 4.360 4.179 0.181 1
1 711 . 7 1 1 A 65 65 GLY CA C 99 45.160 45.897 -0.737 1
1 712 . 7 1 1 A 65 65 GLY N N 99 115.529 111.358 4.171 1
1 713 . 7 1 1 A 66 66 LEU H H 100 8.197 7.948 0.249 1
1 714 . 7 1 1 A 66 66 LEU HA H 100 5.180 5.032 0.148 1
1 724 . 7 1 1 A 66 66 LEU CA C 100 52.200 52.962 -0.762 1
1 725 . 7 1 1 A 66 66 LEU CB C 100 44.290 44.660 -0.370 1
1 729 . 7 1 1 A 66 66 LEU N N 100 123.347 122.724 0.623 1
1 730 . 7 1 1 A 67 67 LEU H H 101 8.697 8.922 -0.225 1
1 731 . 7 1 1 A 67 67 LEU HA H 101 5.796 5.185 0.611 1
1 741 . 7 1 1 A 67 67 LEU CA C 101 51.600 53.756 -2.156 1
1 742 . 7 1 1 A 67 67 LEU CB C 101 42.100 42.895 -0.795 1
1 746 . 7 1 1 A 67 67 LEU N N 101 121.209 122.944 -1.735 1
1 747 . 7 1 1 A 68 68 ASP H H 102 9.241 8.847 0.394 1
1 748 . 7 1 1 A 68 68 ASP HA H 102 5.620 4.791 0.829 1
1 751 . 7 1 1 A 68 68 ASP CA C 102 50.980 52.816 -1.836 1
1 752 . 7 1 1 A 68 68 ASP CB C 102 39.750 41.374 -1.624 1
1 753 . 7 1 1 A 68 68 ASP N N 102 124.386 125.776 -1.390 1
1 754 . 7 1 1 A 69 69 ASP H H 103 8.523 8.408 0.115 1
1 755 . 7 1 1 A 69 69 ASP HA H 103 2.830 3.437 -0.607 1
1 758 . 7 1 1 A 69 69 ASP CA C 103 56.160 56.039 0.121 1
1 759 . 7 1 1 A 69 69 ASP CB C 103 37.160 39.426 -2.266 1
1 760 . 7 1 1 A 69 69 ASP N N 103 117.349 118.478 -1.129 1
1 761 . 7 1 1 A 70 70 GLU H H 104 8.003 7.616 0.387 1
1 762 . 7 1 1 A 70 70 GLU HA H 104 4.075 4.383 -0.308 1
1 767 . 7 1 1 A 70 70 GLU CA C 104 58.950 59.427 -0.477 1
1 768 . 7 1 1 A 70 70 GLU CB C 104 29.134 29.926 -0.792 1
1 770 . 7 1 1 A 70 70 GLU N N 104 124.806 120.370 4.436 1
1 771 . 7 1 1 A 71 71 GLU H H 105 8.758 8.591 0.167 1
1 772 . 7 1 1 A 71 71 GLU HA H 105 4.030 4.086 -0.056 1
1 777 . 7 1 1 A 71 71 GLU CA C 105 58.570 59.290 -0.720 1
1 778 . 7 1 1 A 71 71 GLU CB C 105 30.270 29.539 0.731 1
1 780 . 7 1 1 A 71 71 GLU N N 105 123.541 120.299 3.242 1
1 781 . 7 1 1 A 72 72 PHE H H 106 9.416 8.747 0.669 1
1 782 . 7 1 1 A 72 72 PHE HA H 106 4.230 4.121 0.109 1
1 790 . 7 1 1 A 72 72 PHE CA C 106 60.000 61.534 -1.534 1
1 791 . 7 1 1 A 72 72 PHE CB C 106 38.440 39.316 -0.876 1
1 797 . 7 1 1 A 72 72 PHE N N 106 120.706 121.547 -0.841 1
1 798 . 7 1 1 A 73 73 ALA H H 107 8.085 8.075 0.010 1
1 799 . 7 1 1 A 73 73 ALA HA H 107 3.778 3.889 -0.111 1
1 803 . 7 1 1 A 73 73 ALA CA C 107 54.010 55.428 -1.418 1
1 804 . 7 1 1 A 73 73 ALA CB C 107 16.691 17.900 -1.209 1
1 805 . 7 1 1 A 73 73 ALA N N 107 126.845 121.256 5.589 1
1 806 . 7 1 1 A 74 74 LEU H H 108 8.443 8.054 0.389 1
1 807 . 7 1 1 A 74 74 LEU HA H 108 4.048 3.967 0.081 1
1 817 . 7 1 1 A 74 74 LEU CA C 108 56.811 57.849 -1.038 1
1 818 . 7 1 1 A 74 74 LEU CB C 108 41.090 41.568 -0.478 1
1 822 . 7 1 1 A 74 74 LEU N N 108 121.249 120.263 0.986 1
1 823 . 7 1 1 A 75 75 ALA H H 109 8.677 8.407 0.270 1
1 824 . 7 1 1 A 75 75 ALA HA H 109 3.648 3.963 -0.315 1
1 828 . 7 1 1 A 75 75 ALA CA C 109 54.220 55.408 -1.188 1
1 829 . 7 1 1 A 75 75 ALA CB C 109 15.367 18.277 -2.910 1
1 830 . 7 1 1 A 75 75 ALA N N 109 122.981 120.770 2.211 1
1 831 . 7 1 1 A 76 76 ASN H H 110 7.270 7.757 -0.487 1
1 832 . 7 1 1 A 76 76 ASN HA H 110 3.800 4.177 -0.377 1
1 837 . 7 1 1 A 76 76 ASN CA C 110 55.500 55.907 -0.407 1
1 838 . 7 1 1 A 76 76 ASN CB C 110 36.610 37.083 -0.473 1
1 839 . 7 1 1 A 76 76 ASN N N 110 115.791 115.974 -0.183 1
1 841 . 7 1 1 A 77 77 HIS H H 111 8.363 7.534 0.829 1
1 842 . 7 1 1 A 77 77 HIS HA H 111 4.092 4.209 -0.117 1
1 847 . 7 1 1 A 77 77 HIS CA C 111 59.180 59.642 -0.462 1
1 848 . 7 1 1 A 77 77 HIS CB C 111 30.420 30.137 0.283 1
1 851 . 7 1 1 A 77 77 HIS N N 111 124.686 120.800 3.886 1
1 852 . 7 1 1 A 78 78 LEU H H 112 8.278 8.199 0.079 1
1 853 . 7 1 1 A 78 78 LEU HA H 112 3.820 3.848 -0.028 1
1 863 . 7 1 1 A 78 78 LEU CA C 112 56.115 57.658 -1.543 1
1 864 . 7 1 1 A 78 78 LEU CB C 112 41.000 41.459 -0.459 1
1 868 . 7 1 1 A 78 78 LEU N N 112 119.085 119.442 -0.357 1
1 869 . 7 1 1 A 79 79 ILE H H 113 7.799 7.843 -0.044 1
1 870 . 7 1 1 A 79 79 ILE HA H 113 3.270 3.607 -0.337 1
1 880 . 7 1 1 A 79 79 ILE CA C 113 65.020 64.260 0.760 1
1 881 . 7 1 1 A 79 79 ILE CB C 113 36.730 36.683 0.047 1
1 885 . 7 1 1 A 79 79 ILE N N 113 121.304 120.666 0.638 1
1 886 . 7 1 1 A 80 80 LYS H H 114 7.546 8.293 -0.747 1
1 887 . 7 1 1 A 80 80 LYS HA H 114 3.820 3.951 -0.131 1
1 896 . 7 1 1 A 80 80 LYS CA C 114 58.970 59.706 -0.736 1
1 897 . 7 1 1 A 80 80 LYS CB C 114 30.470 32.156 -1.686 1
1 901 . 7 1 1 A 80 80 LYS N N 114 122.150 121.606 0.544 1
1 902 . 7 1 1 A 81 81 VAL H H 115 8.110 7.536 0.574 1
1 903 . 7 1 1 A 81 81 VAL HA H 115 3.736 3.798 -0.062 1
1 911 . 7 1 1 A 81 81 VAL CA C 115 64.500 65.722 -1.222 1
1 912 . 7 1 1 A 81 81 VAL CB C 115 30.050 31.465 -1.415 1
1 915 . 7 1 1 A 81 81 VAL N N 115 118.999 118.448 0.551 1
1 916 . 7 1 1 A 82 82 LYS H H 116 7.853 7.926 -0.073 1
1 917 . 7 1 1 A 82 82 LYS HA H 116 4.520 3.965 0.555 1
1 926 . 7 1 1 A 82 82 LYS CA C 116 56.000 59.599 -3.599 1
1 927 . 7 1 1 A 82 82 LYS CB C 116 30.340 32.581 -2.241 1
1 931 . 7 1 1 A 82 82 LYS N N 116 123.030 121.954 1.076 1
1 932 . 7 1 1 A 83 83 LEU H H 117 8.959 8.432 0.527 1
1 933 . 7 1 1 A 83 83 LEU HA H 117 4.080 4.015 0.065 1
1 943 . 7 1 1 A 83 83 LEU CA C 117 56.620 57.801 -1.181 1
1 944 . 7 1 1 A 83 83 LEU CB C 117 40.361 41.007 -0.646 1
1 948 . 7 1 1 A 83 83 LEU N N 117 125.378 120.187 5.191 1
1 949 . 7 1 1 A 84 84 GLU H H 118 7.817 8.048 -0.231 1
1 950 . 7 1 1 A 84 84 GLU HA H 118 4.156 4.376 -0.220 1
1 955 . 7 1 1 A 84 84 GLU CA C 118 55.100 56.423 -1.323 1
1 956 . 7 1 1 A 84 84 GLU CB C 118 28.600 29.994 -1.394 1
1 958 . 7 1 1 A 84 84 GLU N N 118 119.766 116.472 3.294 1
1 959 . 7 1 1 A 85 85 GLY H H 119 7.862 8.223 -0.361 1
1 960 . 7 1 1 A 85 85 GLY HA2 H 119 3.640 3.714 -0.074 1
1 961 . 7 1 1 A 85 85 GLY HA3 H 119 4.140 3.799 0.341 1
1 962 . 7 1 1 A 85 85 GLY CA C 119 43.690 45.757 -2.067 1
1 963 . 7 1 1 A 85 85 GLY N N 119 107.933 108.259 -0.326 1
1 964 . 7 1 1 A 86 86 HIS H H 120 7.714 8.177 -0.463 1
1 965 . 7 1 1 A 86 86 HIS HA H 120 4.670 4.878 -0.208 1
1 970 . 7 1 1 A 86 86 HIS CA C 120 53.780 55.092 -1.312 1
1 971 . 7 1 1 A 86 86 HIS CB C 120 29.390 32.316 -2.926 1
1 973 . 7 1 1 A 86 86 HIS N N 120 122.124 117.239 4.885 1
1 974 . 7 1 1 A 87 87 GLU H H 121 8.491 8.881 -0.390 1
1 975 . 7 1 1 A 87 87 GLU HA H 121 4.300 4.576 -0.276 1
1 980 . 7 1 1 A 87 87 GLU CA C 121 54.000 56.499 -2.499 1
1 981 . 7 1 1 A 87 87 GLU CB C 121 29.120 30.198 -1.078 1
1 983 . 7 1 1 A 87 87 GLU N N 121 121.826 124.499 -2.673 1
1 984 . 7 1 1 A 88 88 LEU H H 122 8.659 8.514 0.145 1
1 985 . 7 1 1 A 88 88 LEU HA H 122 4.417 4.525 -0.108 1
1 995 . 7 1 1 A 88 88 LEU CA C 122 50.777 53.493 -2.716 1
1 996 . 7 1 1 A 88 88 LEU CB C 122 39.986 41.880 -1.894 1
1 1000 . 7 1 1 A 88 88 LEU N N 122 125.316 124.607 0.709 1
1 1001 . 7 1 1 A 89 89 PRO HA H 123 4.570 4.455 0.115 1
1 1008 . 7 1 1 A 89 89 PRO CA C 123 60.690 63.823 -3.133 1
1 1009 . 7 1 1 A 89 89 PRO CB C 123 30.320 31.997 -1.677 1
1 1012 . 7 1 1 A 90 90 ALA H H 124 8.464 7.973 0.491 1
1 1013 . 7 1 1 A 90 90 ALA HA H 124 4.068 3.961 0.107 1
1 1017 . 7 1 1 A 90 90 ALA CA C 124 52.700 53.541 -0.841 1
1 1018 . 7 1 1 A 90 90 ALA CB C 124 17.760 17.950 -0.190 1
1 1019 . 7 1 1 A 90 90 ALA N N 124 123.603 120.259 3.344 1
1 1020 . 7 1 1 A 91 91 ASP H H 125 7.482 7.829 -0.347 1
1 1021 . 7 1 1 A 91 91 ASP HA H 125 4.630 5.185 -0.555 1
1 1024 . 7 1 1 A 91 91 ASP CA C 125 50.340 52.826 -2.486 1
1 1025 . 7 1 1 A 91 91 ASP CB C 125 42.620 44.712 -2.092 1
1 1026 . 7 1 1 A 91 91 ASP N N 125 115.317 116.012 -0.695 1
1 1027 . 7 1 1 A 92 92 LEU H H 126 8.883 9.172 -0.289 1
1 1028 . 7 1 1 A 92 92 LEU HA H 126 4.196 4.929 -0.733 1
1 1038 . 7 1 1 A 92 92 LEU CA C 126 51.930 51.556 0.374 1
1 1039 . 7 1 1 A 92 92 LEU CB C 126 41.032 42.886 -1.854 1
1 1043 . 7 1 1 A 92 92 LEU N N 126 125.329 123.346 1.983 1
1 1044 . 7 1 1 A 93 93 PRO HA H 127 4.860 4.585 0.275 1
1 1051 . 7 1 1 A 93 93 PRO CA C 127 59.820 61.580 -1.760 1
1 1052 . 7 1 1 A 93 93 PRO CB C 127 29.800 31.888 -2.088 1
1 1055 . 7 1 1 A 94 94 PRO HA H 128 4.220 4.229 -0.009 1
1 1062 . 7 1 1 A 94 94 PRO CA C 128 64.560 65.282 -0.722 1
1 1063 . 7 1 1 A 94 94 PRO CB C 128 30.900 31.816 -0.916 1
1 1066 . 7 1 1 A 95 95 HIS H H 129 7.922 8.105 -0.183 1
1 1067 . 7 1 1 A 95 95 HIS HA H 129 4.650 4.832 -0.182 1
1 1072 . 7 1 1 A 95 95 HIS CA C 129 56.810 56.483 0.327 1
1 1073 . 7 1 1 A 95 95 HIS CB C 129 28.100 29.648 -1.548 1
1 1076 . 7 1 1 A 95 95 HIS N N 129 112.757 114.491 -1.734 1
1 1077 . 7 1 1 A 96 96 LEU H H 130 7.717 7.849 -0.132 1
1 1078 . 7 1 1 A 96 96 LEU HA H 130 4.646 4.729 -0.083 1
1 1088 . 7 1 1 A 96 96 LEU CA C 130 52.920 54.619 -1.699 1
1 1089 . 7 1 1 A 96 96 LEU CB C 130 42.210 43.488 -1.278 1
1 1093 . 7 1 1 A 96 96 LEU N N 130 121.128 119.159 1.969 1
1 1094 . 7 1 1 A 97 97 VAL H H 131 7.173 7.452 -0.279 1
1 1095 . 7 1 1 A 97 97 VAL HA H 131 3.720 4.182 -0.462 1
1 1103 . 7 1 1 A 97 97 VAL CA C 131 60.520 59.286 1.234 1
1 1104 . 7 1 1 A 97 97 VAL CB C 131 31.310 32.099 -0.789 1
1 1107 . 7 1 1 A 97 97 VAL N N 131 125.460 120.748 4.712 1
1 1108 . 7 1 1 A 98 98 PRO HA H 132 2.720 2.935 -0.215 1
1 1115 . 7 1 1 A 98 98 PRO CA C 132 59.400 61.623 -2.223 1
1 1116 . 7 1 1 A 98 98 PRO CB C 132 30.250 31.677 -1.427 1
1 1119 . 7 1 1 A 99 99 PRO HA H 133 3.610 4.164 -0.554 1
1 1126 . 7 1 1 A 99 99 PRO CA C 133 64.760 64.168 0.592 1
1 1127 . 7 1 1 A 99 99 PRO CB C 133 30.770 31.676 -0.906 1
1 1130 . 7 1 1 A 100 100 SER H H 134 9.222 7.992 1.230 1
1 1131 . 7 1 1 A 100 100 SER HA H 134 4.140 4.285 -0.145 1
1 1134 . 7 1 1 A 100 100 SER CA C 134 59.660 59.879 -0.219 1
1 1135 . 7 1 1 A 100 100 SER CB C 134 61.320 62.928 -1.608 1
1 1136 . 7 1 1 A 100 100 SER N N 134 115.005 112.674 2.331 1
1 1137 . 7 1 1 A 101 101 LYS H H 135 7.867 7.255 0.612 1
1 1138 . 7 1 1 A 101 101 LYS HA H 135 4.470 4.443 0.027 1
1 1147 . 7 1 1 A 101 101 LYS CA C 135 52.490 55.626 -3.136 1
1 1148 . 7 1 1 A 101 101 LYS CB C 135 30.600 32.486 -1.886 1
1 1152 . 7 1 1 A 101 101 LYS N N 135 121.053 117.160 3.893 1
1 1153 . 7 1 1 A 102 102 ARG H H 136 7.077 7.566 -0.489 1
1 1154 . 7 1 1 A 102 102 ARG HA H 136 4.110 4.577 -0.467 1
1 1165 . 7 1 1 A 102 102 ARG CA C 136 55.440 55.060 0.380 1
1 1166 . 7 1 1 A 102 102 ARG CB C 136 29.100 30.072 -0.972 1
1 1169 . 7 1 1 A 102 102 ARG N N 136 121.944 120.088 1.856 1
1 1170 . 7 1 1 A 103 103 ARG H H 137 8.289 8.714 -0.425 1
1 1171 . 7 1 1 A 103 103 ARG HA H 137 4.274 5.018 -0.744 1
1 1182 . 7 1 1 A 103 103 ARG CA C 137 54.100 54.392 -0.292 1
1 1183 . 7 1 1 A 103 103 ARG CB C 137 29.700 33.630 -3.930 1
1 1186 . 7 1 1 A 103 103 ARG N N 137 123.504 125.926 -2.422 1
1 1187 . 7 1 1 A 104 104 HIS H H 138 8.370 8.909 -0.539 1
1 1188 . 7 1 1 A 104 104 HIS HA H 138 4.662 4.842 -0.180 1
1 1192 . 7 1 1 A 104 104 HIS CA C 138 54.110 55.756 -1.646 1
1 1193 . 7 1 1 A 104 104 HIS CB C 138 28.730 31.000 -2.270 1
1 1 . 8 1 1 A 6 6 ASP HA H 40 4.430 4.734 -0.304 1
1 2 . 8 1 1 A 7 7 ASP H H 41 8.479 8.848 -0.369 1
1 3 . 8 1 1 A 7 7 ASP HA H 41 4.640 5.294 -0.654 1
1 6 . 8 1 1 A 7 7 ASP CA C 41 52.900 52.683 0.217 1
1 7 . 8 1 1 A 7 7 ASP CB C 41 39.760 44.108 -4.348 1
1 8 . 8 1 1 A 7 7 ASP N N 41 124.447 127.199 -2.752 1
1 9 . 8 1 1 A 8 8 VAL H H 42 7.916 8.977 -1.061 1
1 10 . 8 1 1 A 8 8 VAL HA H 42 4.142 4.306 -0.164 1
1 18 . 8 1 1 A 8 8 VAL CA C 42 60.460 62.217 -1.757 1
1 19 . 8 1 1 A 8 8 VAL CB C 42 31.579 32.149 -0.570 1
1 22 . 8 1 1 A 8 8 VAL N N 42 120.853 126.424 -5.571 1
1 23 . 8 1 1 A 9 9 GLU H H 43 8.476 8.667 -0.191 1
1 24 . 8 1 1 A 9 9 GLU HA H 43 4.290 4.506 -0.216 1
1 29 . 8 1 1 A 9 9 GLU CA C 43 55.300 56.332 -1.032 1
1 30 . 8 1 1 A 9 9 GLU CB C 43 29.120 30.106 -0.986 1
1 32 . 8 1 1 A 9 9 GLU N N 43 127.650 127.794 -0.144 1
1 33 . 8 1 1 A 10 10 TRP H H 44 8.839 8.727 0.112 1
1 34 . 8 1 1 A 10 10 TRP HA H 44 5.230 5.006 0.224 1
1 43 . 8 1 1 A 10 10 TRP CA C 44 54.430 55.714 -1.284 1
1 44 . 8 1 1 A 10 10 TRP CB C 44 27.230 29.564 -2.334 1
1 50 . 8 1 1 A 10 10 TRP N N 44 126.378 126.367 0.011 1
1 51 . 8 1 1 A 11 11 VAL H H 45 9.230 7.972 1.258 1
1 52 . 8 1 1 A 11 11 VAL HA H 45 3.891 3.626 0.265 1
1 60 . 8 1 1 A 11 11 VAL CA C 45 63.500 66.143 -2.643 1
1 61 . 8 1 1 A 11 11 VAL CB C 45 30.420 31.582 -1.162 1
1 64 . 8 1 1 A 11 11 VAL N N 45 131.353 126.238 5.115 1
1 65 . 8 1 1 A 12 12 VAL H H 46 5.020 7.018 -1.998 1
1 66 . 8 1 1 A 12 12 VAL HA H 46 3.040 3.338 -0.298 1
1 74 . 8 1 1 A 12 12 VAL CA C 46 60.690 65.736 -5.046 1
1 75 . 8 1 1 A 12 12 VAL CB C 46 29.280 30.496 -1.216 1
1 78 . 8 1 1 A 13 13 GLY H H 47 7.330 8.217 -0.887 1
1 79 . 8 1 1 A 13 13 GLY HA2 H 47 3.590 3.870 -0.280 1
1 80 . 8 1 1 A 13 13 GLY HA3 H 47 4.180 3.958 0.222 1
1 81 . 8 1 1 A 13 13 GLY CA C 47 46.400 46.605 -0.205 1
1 82 . 8 1 1 A 14 14 LYS H H 48 7.570 7.928 -0.358 1
1 83 . 8 1 1 A 14 14 LYS HA H 48 4.066 4.175 -0.109 1
1 92 . 8 1 1 A 14 14 LYS CA C 48 57.337 58.226 -0.889 1
1 93 . 8 1 1 A 14 14 LYS CB C 48 30.490 33.203 -2.713 1
1 97 . 8 1 1 A 14 14 LYS N N 48 121.084 117.123 3.961 1
1 98 . 8 1 1 A 15 15 ASP H H 49 7.309 7.659 -0.350 1
1 99 . 8 1 1 A 15 15 ASP HA H 49 4.770 4.770 0.000 1
1 102 . 8 1 1 A 15 15 ASP CA C 49 52.880 53.178 -0.298 1
1 103 . 8 1 1 A 15 15 ASP CB C 49 41.910 41.568 0.342 1
1 104 . 8 1 1 A 15 15 ASP N N 49 118.181 119.334 -1.153 1
1 105 . 8 1 1 A 16 16 LYS H H 50 7.506 7.565 -0.059 1
1 106 . 8 1 1 A 16 16 LYS HA H 50 4.059 3.962 0.097 1
1 115 . 8 1 1 A 16 16 LYS CA C 50 60.180 61.284 -1.104 1
1 116 . 8 1 1 A 16 16 LYS CB C 50 30.193 30.828 -0.635 1
1 120 . 8 1 1 A 16 16 LYS N N 50 123.633 120.758 2.875 1
1 121 . 8 1 1 A 17 17 PRO HA H 51 4.430 4.417 0.013 1
1 128 . 8 1 1 A 17 17 PRO CA C 51 65.660 65.428 0.232 1
1 129 . 8 1 1 A 17 17 PRO CB C 51 29.600 31.170 -1.570 1
1 132 . 8 1 1 A 18 18 THR H H 52 7.285 7.512 -0.227 1
1 133 . 8 1 1 A 18 18 THR HA H 52 3.977 4.066 -0.089 1
1 138 . 8 1 1 A 18 18 THR CA C 52 64.330 65.215 -0.885 1
1 139 . 8 1 1 A 18 18 THR CB C 52 67.170 68.247 -1.077 1
1 141 . 8 1 1 A 18 18 THR N N 52 115.095 112.088 3.007 1
1 142 . 8 1 1 A 19 19 TYR H H 53 7.083 7.219 -0.136 1
1 143 . 8 1 1 A 19 19 TYR HA H 53 4.728 4.353 0.375 1
1 150 . 8 1 1 A 19 19 TYR CA C 53 57.110 61.955 -4.845 1
1 151 . 8 1 1 A 19 19 TYR CB C 53 35.130 37.137 -2.007 1
1 156 . 8 1 1 A 19 19 TYR N N 53 125.380 119.692 5.688 1
1 157 . 8 1 1 A 20 20 ASP H H 54 9.596 8.738 0.858 1
1 158 . 8 1 1 A 20 20 ASP HA H 54 4.512 4.420 0.092 1
1 161 . 8 1 1 A 20 20 ASP CA C 54 55.515 57.745 -2.230 1
1 162 . 8 1 1 A 20 20 ASP CB C 54 38.740 41.540 -2.800 1
1 163 . 8 1 1 A 20 20 ASP N N 54 124.548 121.924 2.624 1
1 164 . 8 1 1 A 21 21 GLU H H 55 7.309 8.287 -0.978 1
1 165 . 8 1 1 A 21 21 GLU HA H 55 4.150 4.239 -0.089 1
1 170 . 8 1 1 A 21 21 GLU CA C 55 58.100 59.375 -1.275 1
1 171 . 8 1 1 A 21 21 GLU CB C 55 28.500 29.573 -1.073 1
1 173 . 8 1 1 A 21 21 GLU N N 55 118.181 119.266 -1.085 1
1 174 . 8 1 1 A 22 22 ILE H H 56 7.249 7.879 -0.630 1
1 175 . 8 1 1 A 22 22 ILE HA H 56 3.946 3.905 0.041 1
1 185 . 8 1 1 A 22 22 ILE CA C 56 62.300 64.778 -2.478 1
1 186 . 8 1 1 A 22 22 ILE CB C 56 37.597 37.588 0.009 1
1 190 . 8 1 1 A 22 22 ILE N N 56 118.978 120.937 -1.959 1
1 191 . 8 1 1 A 23 23 PHE H H 57 9.117 8.513 0.604 1
1 192 . 8 1 1 A 23 23 PHE HA H 57 3.094 3.742 -0.648 1
1 200 . 8 1 1 A 23 23 PHE CA C 57 61.330 61.415 -0.085 1
1 201 . 8 1 1 A 23 23 PHE CB C 57 38.250 38.611 -0.361 1
1 207 . 8 1 1 A 23 23 PHE N N 57 127.639 123.069 4.570 1
1 208 . 8 1 1 A 24 24 TYR H H 58 7.922 7.775 0.147 1
1 209 . 8 1 1 A 24 24 TYR HA H 58 4.000 4.378 -0.378 1
1 216 . 8 1 1 A 24 24 TYR CA C 58 60.480 59.461 1.019 1
1 217 . 8 1 1 A 24 24 TYR CB C 58 36.086 37.567 -1.481 1
1 222 . 8 1 1 A 24 24 TYR N N 58 112.757 114.531 -1.774 1
1 223 . 8 1 1 A 25 25 THR H H 59 8.087 7.584 0.503 1
1 224 . 8 1 1 A 25 25 THR HA H 59 4.650 4.587 0.063 1
1 230 . 8 1 1 A 25 25 THR CA C 59 61.770 61.501 0.269 1
1 231 . 8 1 1 A 25 25 THR CB C 59 68.900 69.936 -1.036 1
1 233 . 8 1 1 A 25 25 THR N N 59 112.676 109.918 2.758 1
1 234 . 8 1 1 A 26 26 LEU H H 60 7.381 6.953 0.428 1
1 235 . 8 1 1 A 26 26 LEU HA H 60 4.470 4.332 0.138 1
1 245 . 8 1 1 A 26 26 LEU CA C 60 52.500 53.939 -1.439 1
1 246 . 8 1 1 A 26 26 LEU CB C 60 38.700 41.699 -2.999 1
1 250 . 8 1 1 A 26 26 LEU N N 60 125.808 120.656 5.152 1
1 251 . 8 1 1 A 27 27 SER H H 61 7.870 7.926 -0.056 1
1 252 . 8 1 1 A 27 27 SER HA H 61 3.980 4.071 -0.091 1
1 255 . 8 1 1 A 27 27 SER CA C 61 56.300 58.984 -2.684 1
1 256 . 8 1 1 A 27 27 SER CB C 61 60.230 61.613 -1.383 1
1 257 . 8 1 1 A 27 27 SER N N 61 111.582 113.920 -2.338 1
1 258 . 8 1 1 A 28 28 PRO HA H 62 4.200 4.789 -0.589 1
1 265 . 8 1 1 A 28 28 PRO CA C 62 61.600 62.289 -0.689 1
1 266 . 8 1 1 A 28 28 PRO CB C 62 29.890 31.311 -1.421 1
1 269 . 8 1 1 A 29 29 VAL H H 63 8.744 7.947 0.797 1
1 270 . 8 1 1 A 29 29 VAL HA H 63 4.180 4.243 -0.063 1
1 278 . 8 1 1 A 29 29 VAL CA C 63 60.660 61.010 -0.350 1
1 279 . 8 1 1 A 29 29 VAL CB C 63 32.878 32.694 0.184 1
1 282 . 8 1 1 A 29 29 VAL N N 63 124.299 118.555 5.744 1
1 283 . 8 1 1 A 30 30 ASN H H 64 9.713 9.525 0.188 1
1 284 . 8 1 1 A 30 30 ASN HA H 64 4.420 4.476 -0.056 1
1 289 . 8 1 1 A 30 30 ASN CA C 64 52.940 54.505 -1.565 1
1 290 . 8 1 1 A 30 30 ASN CB C 64 36.300 37.048 -0.748 1
1 291 . 8 1 1 A 30 30 ASN N N 64 129.729 120.185 9.544 1
1 293 . 8 1 1 A 31 31 GLY H H 65 8.867 8.736 0.131 1
1 294 . 8 1 1 A 31 31 GLY HA2 H 65 3.760 3.954 -0.194 1
1 295 . 8 1 1 A 31 31 GLY HA3 H 65 4.260 4.010 0.250 1
1 296 . 8 1 1 A 31 31 GLY CA C 65 44.260 45.556 -1.296 1
1 297 . 8 1 1 A 31 31 GLY N N 65 130.590 104.920 25.670 1
1 298 . 8 1 1 A 32 32 LYS H H 66 7.501 7.875 -0.374 1
1 299 . 8 1 1 A 32 32 LYS HA H 66 5.410 5.270 0.140 1
1 308 . 8 1 1 A 32 32 LYS CA C 66 53.780 54.248 -0.468 1
1 309 . 8 1 1 A 32 32 LYS CB C 66 36.540 36.270 0.270 1
1 313 . 8 1 1 A 32 32 LYS N N 66 118.738 119.768 -1.030 1
1 314 . 8 1 1 A 33 33 ILE H H 67 9.216 8.689 0.527 1
1 315 . 8 1 1 A 33 33 ILE HA H 67 5.008 4.615 0.393 1
1 325 . 8 1 1 A 33 33 ILE CA C 67 57.470 59.773 -2.303 1
1 326 . 8 1 1 A 33 33 ILE CB C 67 39.700 39.325 0.375 1
1 330 . 8 1 1 A 33 33 ILE N N 67 118.166 119.460 -1.294 1
1 331 . 8 1 1 A 34 34 THR H H 68 8.255 8.360 -0.105 1
1 332 . 8 1 1 A 34 34 THR HA H 68 4.548 4.636 -0.088 1
1 338 . 8 1 1 A 34 34 THR CA C 68 58.970 60.649 -1.679 1
1 339 . 8 1 1 A 34 34 THR CB C 68 69.762 70.989 -1.227 1
1 341 . 8 1 1 A 34 34 THR N N 68 111.971 113.460 -1.489 1
1 342 . 8 1 1 A 35 35 GLY H H 69 8.940 8.955 -0.015 1
1 343 . 8 1 1 A 35 35 GLY HA2 H 69 3.630 3.802 -0.172 1
1 344 . 8 1 1 A 35 35 GLY HA3 H 69 3.900 4.108 -0.208 1
1 345 . 8 1 1 A 35 35 GLY CA C 69 46.900 47.491 -0.591 1
1 346 . 8 1 1 A 35 35 GLY N N 69 110.161 109.532 0.629 1
1 347 . 8 1 1 A 36 36 ALA H H 70 8.265 8.119 0.146 1
1 348 . 8 1 1 A 36 36 ALA HA H 70 3.870 4.038 -0.168 1
1 352 . 8 1 1 A 36 36 ALA CA C 70 53.700 55.059 -1.359 1
1 353 . 8 1 1 A 36 36 ALA CB C 70 17.080 18.545 -1.465 1
1 354 . 8 1 1 A 36 36 ALA N N 70 123.384 124.766 -1.382 1
1 355 . 8 1 1 A 37 37 ASN H H 71 7.574 8.207 -0.633 1
1 356 . 8 1 1 A 37 37 ASN HA H 71 4.690 4.516 0.174 1
1 361 . 8 1 1 A 37 37 ASN CA C 71 54.000 55.690 -1.690 1
1 362 . 8 1 1 A 37 37 ASN CB C 71 36.300 37.807 -1.507 1
1 363 . 8 1 1 A 37 37 ASN N N 71 118.852 116.279 2.573 1
1 365 . 8 1 1 A 38 38 ALA H H 72 8.853 7.935 0.918 1
1 366 . 8 1 1 A 38 38 ALA HA H 72 4.108 4.159 -0.051 1
1 370 . 8 1 1 A 38 38 ALA CA C 72 54.450 55.286 -0.836 1
1 371 . 8 1 1 A 38 38 ALA CB C 72 17.970 18.391 -0.421 1
1 372 . 8 1 1 A 38 38 ALA N N 72 123.903 122.233 1.670 1
1 373 . 8 1 1 A 39 39 LYS H H 73 8.837 8.174 0.663 1
1 374 . 8 1 1 A 39 39 LYS HA H 73 3.970 4.032 -0.062 1
1 383 . 8 1 1 A 39 39 LYS CA C 73 59.130 59.752 -0.622 1
1 384 . 8 1 1 A 39 39 LYS CB C 73 30.880 32.267 -1.387 1
1 388 . 8 1 1 A 39 39 LYS N N 73 120.578 118.620 1.958 1
1 389 . 8 1 1 A 40 40 LYS H H 74 7.209 7.954 -0.745 1
1 390 . 8 1 1 A 40 40 LYS HA H 74 3.988 3.952 0.036 1
1 399 . 8 1 1 A 40 40 LYS CA C 74 58.130 60.082 -1.952 1
1 400 . 8 1 1 A 40 40 LYS CB C 74 30.900 32.271 -1.371 1
1 404 . 8 1 1 A 40 40 LYS N N 74 117.823 118.197 -0.374 1
1 405 . 8 1 1 A 41 41 GLU H H 75 7.089 8.125 -1.036 1
1 406 . 8 1 1 A 41 41 GLU HA H 75 4.450 4.135 0.315 1
1 411 . 8 1 1 A 41 41 GLU CA C 75 56.160 59.612 -3.452 1
1 412 . 8 1 1 A 41 41 GLU CB C 75 28.900 29.381 -0.481 1
1 414 . 8 1 1 A 41 41 GLU N N 75 117.306 119.542 -2.236 1
1 415 . 8 1 1 A 42 42 MET H H 76 8.854 8.197 0.657 1
1 416 . 8 1 1 A 42 42 MET HA H 76 4.010 4.390 -0.380 1
1 424 . 8 1 1 A 42 42 MET CA C 76 58.600 58.830 -0.230 1
1 425 . 8 1 1 A 42 42 MET CB C 76 33.770 31.688 2.082 1
1 428 . 8 1 1 A 42 42 MET N N 76 121.769 118.927 2.842 1
1 429 . 8 1 1 A 43 43 VAL H H 77 8.799 8.159 0.640 1
1 430 . 8 1 1 A 43 43 VAL HA H 77 4.110 3.739 0.371 1
1 438 . 8 1 1 A 43 43 VAL CA C 77 63.490 66.723 -3.233 1
1 439 . 8 1 1 A 43 43 VAL CB C 77 30.470 31.661 -1.191 1
1 442 . 8 1 1 A 43 43 VAL N N 77 116.182 120.394 -4.212 1
1 443 . 8 1 1 A 44 44 LYS H H 78 7.498 8.331 -0.833 1
1 444 . 8 1 1 A 44 44 LYS HA H 78 4.130 4.261 -0.131 1
1 453 . 8 1 1 A 44 44 LYS CA C 78 57.670 57.856 -0.186 1
1 454 . 8 1 1 A 44 44 LYS CB C 78 30.990 31.814 -0.824 1
1 458 . 8 1 1 A 44 44 LYS N N 78 124.581 120.155 4.426 1
1 459 . 8 1 1 A 45 45 SER H H 79 7.508 7.354 0.154 1
1 460 . 8 1 1 A 45 45 SER HA H 79 4.068 4.494 -0.426 1
1 463 . 8 1 1 A 45 45 SER CA C 79 59.440 58.512 0.928 1
1 464 . 8 1 1 A 45 45 SER CB C 79 64.580 63.299 1.281 1
1 465 . 8 1 1 A 45 45 SER N N 79 114.450 113.636 0.814 1
1 466 . 8 1 1 A 46 46 LYS H H 80 7.802 7.678 0.124 1
1 467 . 8 1 1 A 46 46 LYS HA H 80 3.920 3.946 -0.026 1
1 476 . 8 1 1 A 46 46 LYS CA C 80 56.810 57.691 -0.881 1
1 477 . 8 1 1 A 46 46 LYS CB C 80 27.840 29.102 -1.262 1
1 481 . 8 1 1 A 46 46 LYS N N 80 114.720 117.893 -3.173 1
1 482 . 8 1 1 A 47 47 LEU H H 81 7.468 7.904 -0.436 1
1 483 . 8 1 1 A 47 47 LEU HA H 81 4.480 4.658 -0.178 1
1 493 . 8 1 1 A 47 47 LEU CA C 81 52.000 52.220 -0.220 1
1 494 . 8 1 1 A 47 47 LEU CB C 81 40.400 42.240 -1.840 1
1 498 . 8 1 1 A 47 47 LEU N N 81 122.848 120.205 2.643 1
1 499 . 8 1 1 A 48 48 PRO HA H 82 4.510 4.531 -0.021 1
1 506 . 8 1 1 A 48 48 PRO CA C 82 60.910 63.024 -2.114 1
1 507 . 8 1 1 A 48 48 PRO CB C 82 31.550 32.603 -1.053 1
1 510 . 8 1 1 A 49 49 ASN H H 83 7.580 9.039 -1.459 1
1 511 . 8 1 1 A 49 49 ASN HA H 83 4.220 4.448 -0.228 1
1 516 . 8 1 1 A 49 49 ASN CA C 83 56.000 55.965 0.035 1
1 517 . 8 1 1 A 49 49 ASN CB C 83 36.900 38.021 -1.121 1
1 519 . 8 1 1 A 50 50 THR H H 84 7.270 8.049 -0.779 1
1 520 . 8 1 1 A 50 50 THR HA H 84 4.000 3.996 0.004 1
1 525 . 8 1 1 A 50 50 THR CA C 84 63.474 65.763 -2.289 1
1 526 . 8 1 1 A 50 50 THR CB C 84 66.950 68.198 -1.248 1
1 528 . 8 1 1 A 51 51 VAL H H 85 6.827 8.254 -1.427 1
1 529 . 8 1 1 A 51 51 VAL HA H 85 3.620 4.032 -0.412 1
1 537 . 8 1 1 A 51 51 VAL CA C 85 64.100 67.652 -3.552 1
1 538 . 8 1 1 A 51 51 VAL CB C 85 30.500 31.226 -0.726 1
1 541 . 8 1 1 A 51 51 VAL N N 85 124.677 123.067 1.610 1
1 542 . 8 1 1 A 52 52 LEU H H 86 7.912 8.281 -0.369 1
1 543 . 8 1 1 A 52 52 LEU HA H 86 3.560 4.046 -0.486 1
1 553 . 8 1 1 A 52 52 LEU CA C 86 56.600 58.462 -1.862 1
1 554 . 8 1 1 A 52 52 LEU CB C 86 38.090 41.734 -3.644 1
1 558 . 8 1 1 A 52 52 LEU N N 86 121.680 119.713 1.967 1
1 559 . 8 1 1 A 53 53 GLY H H 87 8.429 8.544 -0.115 1
1 560 . 8 1 1 A 53 53 GLY HA2 H 87 3.940 3.793 0.147 1
1 561 . 8 1 1 A 53 53 GLY HA3 H 87 4.130 3.806 0.324 1
1 562 . 8 1 1 A 53 53 GLY CA C 87 46.200 47.151 -0.951 1
1 563 . 8 1 1 A 53 53 GLY N N 87 107.113 106.121 0.992 1
1 564 . 8 1 1 A 54 54 LYS H H 88 7.260 8.019 -0.759 1
1 565 . 8 1 1 A 54 54 LYS HA H 88 4.150 4.029 0.121 1
1 574 . 8 1 1 A 54 54 LYS CA C 88 57.890 59.434 -1.544 1
1 575 . 8 1 1 A 54 54 LYS CB C 88 31.000 32.390 -1.390 1
1 579 . 8 1 1 A 54 54 LYS N N 88 124.980 121.569 3.411 1
1 580 . 8 1 1 A 55 55 ILE H H 89 8.019 8.260 -0.241 1
1 581 . 8 1 1 A 55 55 ILE HA H 89 3.476 3.726 -0.250 1
1 591 . 8 1 1 A 55 55 ILE CA C 89 65.360 65.509 -0.149 1
1 592 . 8 1 1 A 55 55 ILE CB C 89 36.300 37.880 -1.580 1
1 596 . 8 1 1 A 55 55 ILE N N 89 122.812 120.413 2.399 1
1 597 . 8 1 1 A 56 56 TRP H H 90 8.911 8.488 0.423 1
1 598 . 8 1 1 A 56 56 TRP HA H 90 3.810 4.226 -0.416 1
1 607 . 8 1 1 A 56 56 TRP CA C 90 60.260 60.207 0.053 1
1 608 . 8 1 1 A 56 56 TRP CB C 90 27.000 30.001 -3.001 1
1 614 . 8 1 1 A 56 56 TRP N N 90 121.947 121.775 0.172 1
1 616 . 8 1 1 A 57 57 LYS H H 91 7.577 8.226 -0.649 1
1 617 . 8 1 1 A 57 57 LYS HA H 91 4.010 4.232 -0.222 1
1 626 . 8 1 1 A 57 57 LYS CA C 91 57.890 58.963 -1.073 1
1 627 . 8 1 1 A 57 57 LYS CB C 91 31.300 32.045 -0.745 1
1 631 . 8 1 1 A 57 57 LYS N N 91 117.344 117.766 -0.422 1
1 632 . 8 1 1 A 58 58 LEU H H 92 7.571 7.511 0.060 1
1 633 . 8 1 1 A 58 58 LEU HA H 92 3.995 4.212 -0.217 1
1 643 . 8 1 1 A 58 58 LEU CA C 92 55.780 56.894 -1.114 1
1 644 . 8 1 1 A 58 58 LEU CB C 92 42.270 41.981 0.289 1
1 648 . 8 1 1 A 58 58 LEU N N 92 119.520 118.943 0.577 1
1 649 . 8 1 1 A 59 59 ALA H H 93 8.135 8.067 0.068 1
1 650 . 8 1 1 A 59 59 ALA HA H 93 4.150 4.068 0.082 1
1 654 . 8 1 1 A 59 59 ALA CA C 93 52.400 54.952 -2.552 1
1 655 . 8 1 1 A 59 59 ALA CB C 93 17.700 18.271 -0.571 1
1 656 . 8 1 1 A 59 59 ALA N N 93 120.351 120.923 -0.572 1
1 657 . 8 1 1 A 60 60 ASP H H 94 7.733 7.949 -0.216 1
1 658 . 8 1 1 A 60 60 ASP HA H 94 4.560 4.366 0.194 1
1 661 . 8 1 1 A 60 60 ASP CA C 94 50.550 53.679 -3.129 1
1 662 . 8 1 1 A 60 60 ASP CB C 94 35.220 40.291 -5.071 1
1 663 . 8 1 1 A 60 60 ASP N N 94 115.750 117.162 -1.412 1
1 664 . 8 1 1 A 61 61 VAL H H 95 8.358 7.912 0.446 1
1 665 . 8 1 1 A 61 61 VAL HA H 95 3.500 3.753 -0.253 1
1 673 . 8 1 1 A 61 61 VAL CA C 95 64.360 66.134 -1.774 1
1 674 . 8 1 1 A 61 61 VAL CB C 95 31.330 31.653 -0.323 1
1 677 . 8 1 1 A 61 61 VAL N N 95 129.465 124.430 5.035 1
1 678 . 8 1 1 A 62 62 ASP H H 96 7.910 7.913 -0.003 1
1 679 . 8 1 1 A 62 62 ASP HA H 96 4.530 4.560 -0.030 1
1 682 . 8 1 1 A 62 62 ASP CA C 96 51.630 53.677 -2.047 1
1 683 . 8 1 1 A 62 62 ASP CB C 96 38.300 40.615 -2.315 1
1 684 . 8 1 1 A 62 62 ASP N N 96 115.789 117.076 -1.287 1
1 685 . 8 1 1 A 63 63 LYS H H 97 7.590 7.781 -0.191 1
1 686 . 8 1 1 A 63 63 LYS HA H 97 3.850 4.450 -0.600 1
1 695 . 8 1 1 A 63 63 LYS CA C 97 56.450 57.234 -0.784 1
1 696 . 8 1 1 A 63 63 LYS CB C 97 28.000 29.887 -1.887 1
1 700 . 8 1 1 A 63 63 LYS N N 97 115.885 115.422 0.463 1
1 701 . 8 1 1 A 64 64 ASP H H 98 8.379 7.991 0.388 1
1 702 . 8 1 1 A 64 64 ASP HA H 98 4.707 4.717 -0.010 1
1 705 . 8 1 1 A 64 64 ASP CA C 98 52.060 52.947 -0.887 1
1 706 . 8 1 1 A 64 64 ASP CB C 98 39.500 40.727 -1.227 1
1 707 . 8 1 1 A 64 64 ASP N N 98 119.948 118.592 1.356 1
1 708 . 8 1 1 A 65 65 GLY H H 99 10.740 8.927 1.813 1
1 709 . 8 1 1 A 65 65 GLY HA2 H 99 3.990 4.028 -0.038 1
1 710 . 8 1 1 A 65 65 GLY HA3 H 99 4.360 4.218 0.142 1
1 711 . 8 1 1 A 65 65 GLY CA C 99 45.160 45.952 -0.792 1
1 712 . 8 1 1 A 65 65 GLY N N 99 115.529 111.475 4.054 1
1 713 . 8 1 1 A 66 66 LEU H H 100 8.197 7.920 0.277 1
1 714 . 8 1 1 A 66 66 LEU HA H 100 5.180 5.114 0.066 1
1 724 . 8 1 1 A 66 66 LEU CA C 100 52.200 52.990 -0.790 1
1 725 . 8 1 1 A 66 66 LEU CB C 100 44.290 45.831 -1.541 1
1 729 . 8 1 1 A 66 66 LEU N N 100 123.347 121.717 1.630 1
1 730 . 8 1 1 A 67 67 LEU H H 101 8.697 9.024 -0.327 1
1 731 . 8 1 1 A 67 67 LEU HA H 101 5.796 4.863 0.933 1
1 741 . 8 1 1 A 67 67 LEU CA C 101 51.600 53.511 -1.911 1
1 742 . 8 1 1 A 67 67 LEU CB C 101 42.100 43.715 -1.615 1
1 746 . 8 1 1 A 67 67 LEU N N 101 121.209 122.198 -0.989 1
1 747 . 8 1 1 A 68 68 ASP H H 102 9.241 8.273 0.968 1
1 748 . 8 1 1 A 68 68 ASP HA H 102 5.620 4.892 0.728 1
1 751 . 8 1 1 A 68 68 ASP CA C 102 50.980 52.699 -1.719 1
1 752 . 8 1 1 A 68 68 ASP CB C 102 39.750 41.339 -1.589 1
1 753 . 8 1 1 A 68 68 ASP N N 102 124.386 125.583 -1.197 1
1 754 . 8 1 1 A 69 69 ASP H H 103 8.523 8.589 -0.066 1
1 755 . 8 1 1 A 69 69 ASP HA H 103 2.830 3.288 -0.458 1
1 758 . 8 1 1 A 69 69 ASP CA C 103 56.160 56.066 0.094 1
1 759 . 8 1 1 A 69 69 ASP CB C 103 37.160 39.365 -2.205 1
1 760 . 8 1 1 A 69 69 ASP N N 103 117.349 117.982 -0.633 1
1 761 . 8 1 1 A 70 70 GLU H H 104 8.003 7.922 0.081 1
1 762 . 8 1 1 A 70 70 GLU HA H 104 4.075 4.321 -0.246 1
1 767 . 8 1 1 A 70 70 GLU CA C 104 58.950 59.449 -0.499 1
1 768 . 8 1 1 A 70 70 GLU CB C 104 29.134 29.445 -0.311 1
1 770 . 8 1 1 A 70 70 GLU N N 104 124.806 120.640 4.166 1
1 771 . 8 1 1 A 71 71 GLU H H 105 8.758 8.503 0.255 1
1 772 . 8 1 1 A 71 71 GLU HA H 105 4.030 4.051 -0.021 1
1 777 . 8 1 1 A 71 71 GLU CA C 105 58.570 59.062 -0.492 1
1 778 . 8 1 1 A 71 71 GLU CB C 105 30.270 29.502 0.768 1
1 780 . 8 1 1 A 71 71 GLU N N 105 123.541 120.100 3.441 1
1 781 . 8 1 1 A 72 72 PHE H H 106 9.416 8.689 0.727 1
1 782 . 8 1 1 A 72 72 PHE HA H 106 4.230 4.106 0.124 1
1 790 . 8 1 1 A 72 72 PHE CA C 106 60.000 61.653 -1.653 1
1 791 . 8 1 1 A 72 72 PHE CB C 106 38.440 39.047 -0.607 1
1 797 . 8 1 1 A 72 72 PHE N N 106 120.706 121.371 -0.665 1
1 798 . 8 1 1 A 73 73 ALA H H 107 8.085 8.030 0.055 1
1 799 . 8 1 1 A 73 73 ALA HA H 107 3.778 3.784 -0.006 1
1 803 . 8 1 1 A 73 73 ALA CA C 107 54.010 54.930 -0.920 1
1 804 . 8 1 1 A 73 73 ALA CB C 107 16.691 18.069 -1.378 1
1 805 . 8 1 1 A 73 73 ALA N N 107 126.845 121.249 5.596 1
1 806 . 8 1 1 A 74 74 LEU H H 108 8.443 8.111 0.332 1
1 807 . 8 1 1 A 74 74 LEU HA H 108 4.048 3.928 0.120 1
1 817 . 8 1 1 A 74 74 LEU CA C 108 56.811 57.763 -0.952 1
1 818 . 8 1 1 A 74 74 LEU CB C 108 41.090 41.701 -0.611 1
1 822 . 8 1 1 A 74 74 LEU N N 108 121.249 120.551 0.698 1
1 823 . 8 1 1 A 75 75 ALA H H 109 8.677 8.211 0.466 1
1 824 . 8 1 1 A 75 75 ALA HA H 109 3.648 3.903 -0.255 1
1 828 . 8 1 1 A 75 75 ALA CA C 109 54.220 55.613 -1.393 1
1 829 . 8 1 1 A 75 75 ALA CB C 109 15.367 18.083 -2.716 1
1 830 . 8 1 1 A 75 75 ALA N N 109 122.981 121.400 1.581 1
1 831 . 8 1 1 A 76 76 ASN H H 110 7.270 7.873 -0.603 1
1 832 . 8 1 1 A 76 76 ASN HA H 110 3.800 4.197 -0.397 1
1 837 . 8 1 1 A 76 76 ASN CA C 110 55.500 55.723 -0.223 1
1 838 . 8 1 1 A 76 76 ASN CB C 110 36.610 37.375 -0.765 1
1 839 . 8 1 1 A 76 76 ASN N N 110 115.791 116.530 -0.739 1
1 841 . 8 1 1 A 77 77 HIS H H 111 8.363 7.456 0.907 1
1 842 . 8 1 1 A 77 77 HIS HA H 111 4.092 4.039 0.053 1
1 847 . 8 1 1 A 77 77 HIS CA C 111 59.180 58.993 0.187 1
1 848 . 8 1 1 A 77 77 HIS CB C 111 30.420 29.825 0.595 1
1 851 . 8 1 1 A 77 77 HIS N N 111 124.686 120.675 4.011 1
1 852 . 8 1 1 A 78 78 LEU H H 112 8.278 8.135 0.143 1
1 853 . 8 1 1 A 78 78 LEU HA H 112 3.820 3.821 -0.001 1
1 863 . 8 1 1 A 78 78 LEU CA C 112 56.115 57.654 -1.539 1
1 864 . 8 1 1 A 78 78 LEU CB C 112 41.000 41.374 -0.374 1
1 868 . 8 1 1 A 78 78 LEU N N 112 119.085 119.197 -0.112 1
1 869 . 8 1 1 A 79 79 ILE H H 113 7.799 7.996 -0.197 1
1 870 . 8 1 1 A 79 79 ILE HA H 113 3.270 3.582 -0.312 1
1 880 . 8 1 1 A 79 79 ILE CA C 113 65.020 64.498 0.522 1
1 881 . 8 1 1 A 79 79 ILE CB C 113 36.730 36.604 0.126 1
1 885 . 8 1 1 A 79 79 ILE N N 113 121.304 120.473 0.831 1
1 886 . 8 1 1 A 80 80 LYS H H 114 7.546 8.191 -0.645 1
1 887 . 8 1 1 A 80 80 LYS HA H 114 3.820 3.958 -0.138 1
1 896 . 8 1 1 A 80 80 LYS CA C 114 58.970 59.718 -0.748 1
1 897 . 8 1 1 A 80 80 LYS CB C 114 30.470 32.462 -1.992 1
1 901 . 8 1 1 A 80 80 LYS N N 114 122.150 122.004 0.146 1
1 902 . 8 1 1 A 81 81 VAL H H 115 8.110 7.532 0.578 1
1 903 . 8 1 1 A 81 81 VAL HA H 115 3.736 3.980 -0.244 1
1 911 . 8 1 1 A 81 81 VAL CA C 115 64.500 66.071 -1.571 1
1 912 . 8 1 1 A 81 81 VAL CB C 115 30.050 31.475 -1.425 1
1 915 . 8 1 1 A 81 81 VAL N N 115 118.999 118.284 0.715 1
1 916 . 8 1 1 A 82 82 LYS H H 116 7.853 7.691 0.162 1
1 917 . 8 1 1 A 82 82 LYS HA H 116 4.520 4.005 0.515 1
1 926 . 8 1 1 A 82 82 LYS CA C 116 56.000 60.005 -4.005 1
1 927 . 8 1 1 A 82 82 LYS CB C 116 30.340 32.476 -2.136 1
1 931 . 8 1 1 A 82 82 LYS N N 116 123.030 121.788 1.242 1
1 932 . 8 1 1 A 83 83 LEU H H 117 8.959 8.559 0.400 1
1 933 . 8 1 1 A 83 83 LEU HA H 117 4.080 4.009 0.071 1
1 943 . 8 1 1 A 83 83 LEU CA C 117 56.620 57.275 -0.655 1
1 944 . 8 1 1 A 83 83 LEU CB C 117 40.361 41.220 -0.859 1
1 948 . 8 1 1 A 83 83 LEU N N 117 125.378 119.914 5.464 1
1 949 . 8 1 1 A 84 84 GLU H H 118 7.817 7.449 0.368 1
1 950 . 8 1 1 A 84 84 GLU HA H 118 4.156 4.242 -0.086 1
1 955 . 8 1 1 A 84 84 GLU CA C 118 55.100 56.126 -1.026 1
1 956 . 8 1 1 A 84 84 GLU CB C 118 28.600 30.036 -1.436 1
1 958 . 8 1 1 A 84 84 GLU N N 118 119.766 116.970 2.796 1
1 959 . 8 1 1 A 85 85 GLY H H 119 7.862 8.059 -0.197 1
1 960 . 8 1 1 A 85 85 GLY HA2 H 119 3.640 3.720 -0.080 1
1 961 . 8 1 1 A 85 85 GLY HA3 H 119 4.140 3.783 0.357 1
1 962 . 8 1 1 A 85 85 GLY CA C 119 43.690 45.831 -2.141 1
1 963 . 8 1 1 A 85 85 GLY N N 119 107.933 108.247 -0.314 1
1 964 . 8 1 1 A 86 86 HIS H H 120 7.714 7.658 0.056 1
1 965 . 8 1 1 A 86 86 HIS HA H 120 4.670 4.855 -0.185 1
1 970 . 8 1 1 A 86 86 HIS CA C 120 53.780 55.679 -1.899 1
1 971 . 8 1 1 A 86 86 HIS CB C 120 29.390 33.893 -4.503 1
1 973 . 8 1 1 A 86 86 HIS N N 120 122.124 117.197 4.927 1
1 974 . 8 1 1 A 87 87 GLU H H 121 8.491 8.853 -0.362 1
1 975 . 8 1 1 A 87 87 GLU HA H 121 4.300 4.943 -0.643 1
1 980 . 8 1 1 A 87 87 GLU CA C 121 54.000 54.803 -0.803 1
1 981 . 8 1 1 A 87 87 GLU CB C 121 29.120 32.810 -3.690 1
1 983 . 8 1 1 A 87 87 GLU N N 121 121.826 119.902 1.924 1
1 984 . 8 1 1 A 88 88 LEU H H 122 8.659 8.887 -0.228 1
1 985 . 8 1 1 A 88 88 LEU HA H 122 4.417 4.821 -0.404 1
1 995 . 8 1 1 A 88 88 LEU CA C 122 50.777 52.954 -2.177 1
1 996 . 8 1 1 A 88 88 LEU CB C 122 39.986 42.102 -2.116 1
1 1000 . 8 1 1 A 88 88 LEU N N 122 125.316 122.280 3.036 1
1 1001 . 8 1 1 A 89 89 PRO HA H 123 4.570 4.358 0.212 1
1 1008 . 8 1 1 A 89 89 PRO CA C 123 60.690 64.035 -3.345 1
1 1009 . 8 1 1 A 89 89 PRO CB C 123 30.320 31.968 -1.648 1
1 1012 . 8 1 1 A 90 90 ALA H H 124 8.464 7.960 0.504 1
1 1013 . 8 1 1 A 90 90 ALA HA H 124 4.068 3.974 0.094 1
1 1017 . 8 1 1 A 90 90 ALA CA C 124 52.700 53.624 -0.924 1
1 1018 . 8 1 1 A 90 90 ALA CB C 124 17.760 17.913 -0.153 1
1 1019 . 8 1 1 A 90 90 ALA N N 124 123.603 120.852 2.751 1
1 1020 . 8 1 1 A 91 91 ASP H H 125 7.482 7.640 -0.158 1
1 1021 . 8 1 1 A 91 91 ASP HA H 125 4.630 5.185 -0.555 1
1 1024 . 8 1 1 A 91 91 ASP CA C 125 50.340 52.353 -2.013 1
1 1025 . 8 1 1 A 91 91 ASP CB C 125 42.620 43.686 -1.066 1
1 1026 . 8 1 1 A 91 91 ASP N N 125 115.317 113.841 1.476 1
1 1027 . 8 1 1 A 92 92 LEU H H 126 8.883 9.069 -0.186 1
1 1028 . 8 1 1 A 92 92 LEU HA H 126 4.196 4.923 -0.727 1
1 1038 . 8 1 1 A 92 92 LEU CA C 126 51.930 51.575 0.355 1
1 1039 . 8 1 1 A 92 92 LEU CB C 126 41.032 42.898 -1.866 1
1 1043 . 8 1 1 A 92 92 LEU N N 126 125.329 121.057 4.272 1
1 1044 . 8 1 1 A 93 93 PRO HA H 127 4.860 4.569 0.291 1
1 1051 . 8 1 1 A 93 93 PRO CA C 127 59.820 61.767 -1.947 1
1 1052 . 8 1 1 A 93 93 PRO CB C 127 29.800 32.333 -2.533 1
1 1055 . 8 1 1 A 94 94 PRO HA H 128 4.220 4.200 0.020 1
1 1062 . 8 1 1 A 94 94 PRO CA C 128 64.560 65.038 -0.478 1
1 1063 . 8 1 1 A 94 94 PRO CB C 128 30.900 31.831 -0.931 1
1 1066 . 8 1 1 A 95 95 HIS H H 129 7.922 8.148 -0.226 1
1 1067 . 8 1 1 A 95 95 HIS HA H 129 4.650 4.597 0.053 1
1 1072 . 8 1 1 A 95 95 HIS CA C 129 56.810 55.867 0.943 1
1 1073 . 8 1 1 A 95 95 HIS CB C 129 28.100 30.482 -2.382 1
1 1076 . 8 1 1 A 95 95 HIS N N 129 112.757 114.294 -1.537 1
1 1077 . 8 1 1 A 96 96 LEU H H 130 7.717 7.952 -0.235 1
1 1078 . 8 1 1 A 96 96 LEU HA H 130 4.646 4.459 0.187 1
1 1088 . 8 1 1 A 96 96 LEU CA C 130 52.920 55.672 -2.752 1
1 1089 . 8 1 1 A 96 96 LEU CB C 130 42.210 43.976 -1.766 1
1 1093 . 8 1 1 A 96 96 LEU N N 130 121.128 119.245 1.883 1
1 1094 . 8 1 1 A 97 97 VAL H H 131 7.173 7.768 -0.595 1
1 1095 . 8 1 1 A 97 97 VAL HA H 131 3.720 4.497 -0.777 1
1 1103 . 8 1 1 A 97 97 VAL CA C 131 60.520 60.453 0.067 1
1 1104 . 8 1 1 A 97 97 VAL CB C 131 31.310 32.612 -1.302 1
1 1107 . 8 1 1 A 97 97 VAL N N 131 125.460 121.578 3.882 1
1 1108 . 8 1 1 A 98 98 PRO HA H 132 2.720 3.953 -1.233 1
1 1115 . 8 1 1 A 98 98 PRO CA C 132 59.400 61.679 -2.279 1
1 1116 . 8 1 1 A 98 98 PRO CB C 132 30.250 31.758 -1.508 1
1 1119 . 8 1 1 A 99 99 PRO HA H 133 3.610 4.281 -0.671 1
1 1126 . 8 1 1 A 99 99 PRO CA C 133 64.760 64.418 0.342 1
1 1127 . 8 1 1 A 99 99 PRO CB C 133 30.770 31.568 -0.798 1
1 1130 . 8 1 1 A 100 100 SER H H 134 9.222 7.991 1.231 1
1 1131 . 8 1 1 A 100 100 SER HA H 134 4.140 4.287 -0.147 1
1 1134 . 8 1 1 A 100 100 SER CA C 134 59.660 59.935 -0.275 1
1 1135 . 8 1 1 A 100 100 SER CB C 134 61.320 62.836 -1.516 1
1 1136 . 8 1 1 A 100 100 SER N N 134 115.005 112.281 2.724 1
1 1137 . 8 1 1 A 101 101 LYS H H 135 7.867 7.388 0.479 1
1 1138 . 8 1 1 A 101 101 LYS HA H 135 4.470 4.545 -0.075 1
1 1147 . 8 1 1 A 101 101 LYS CA C 135 52.490 55.214 -2.724 1
1 1148 . 8 1 1 A 101 101 LYS CB C 135 30.600 32.719 -2.119 1
1 1152 . 8 1 1 A 101 101 LYS N N 135 121.053 119.267 1.786 1
1 1153 . 8 1 1 A 102 102 ARG H H 136 7.077 7.466 -0.389 1
1 1154 . 8 1 1 A 102 102 ARG HA H 136 4.110 4.964 -0.854 1
1 1165 . 8 1 1 A 102 102 ARG CA C 136 55.440 54.716 0.724 1
1 1166 . 8 1 1 A 102 102 ARG CB C 136 29.100 33.324 -4.224 1
1 1169 . 8 1 1 A 102 102 ARG N N 136 121.944 118.904 3.040 1
1 1170 . 8 1 1 A 103 103 ARG H H 137 8.289 8.741 -0.452 1
1 1171 . 8 1 1 A 103 103 ARG HA H 137 4.274 5.074 -0.800 1
1 1182 . 8 1 1 A 103 103 ARG CA C 137 54.100 54.409 -0.309 1
1 1183 . 8 1 1 A 103 103 ARG CB C 137 29.700 34.601 -4.901 1
1 1186 . 8 1 1 A 103 103 ARG N N 137 123.504 122.404 1.100 1
1 1187 . 8 1 1 A 104 104 HIS H H 138 8.370 8.882 -0.512 1
1 1188 . 8 1 1 A 104 104 HIS HA H 138 4.662 5.292 -0.630 1
1 1192 . 8 1 1 A 104 104 HIS CA C 138 54.110 54.687 -0.577 1
1 1193 . 8 1 1 A 104 104 HIS CB C 138 28.730 33.589 -4.859 1
1 1 . 9 1 1 A 6 6 ASP HA H 40 4.430 5.104 -0.674 1
1 2 . 9 1 1 A 7 7 ASP H H 41 8.479 9.081 -0.602 1
1 3 . 9 1 1 A 7 7 ASP HA H 41 4.640 5.417 -0.777 1
1 6 . 9 1 1 A 7 7 ASP CA C 41 52.900 52.371 0.529 1
1 7 . 9 1 1 A 7 7 ASP CB C 41 39.760 44.772 -5.012 1
1 8 . 9 1 1 A 7 7 ASP N N 41 124.447 123.666 0.781 1
1 9 . 9 1 1 A 8 8 VAL H H 42 7.916 8.962 -1.046 1
1 10 . 9 1 1 A 8 8 VAL HA H 42 4.142 4.885 -0.743 1
1 18 . 9 1 1 A 8 8 VAL CA C 42 60.460 59.954 0.506 1
1 19 . 9 1 1 A 8 8 VAL CB C 42 31.579 34.346 -2.767 1
1 22 . 9 1 1 A 8 8 VAL N N 42 120.853 123.219 -2.366 1
1 23 . 9 1 1 A 9 9 GLU H H 43 8.476 8.679 -0.203 1
1 24 . 9 1 1 A 9 9 GLU HA H 43 4.290 5.157 -0.867 1
1 29 . 9 1 1 A 9 9 GLU CA C 43 55.300 55.283 0.017 1
1 30 . 9 1 1 A 9 9 GLU CB C 43 29.120 31.471 -2.351 1
1 32 . 9 1 1 A 9 9 GLU N N 43 127.650 125.261 2.389 1
1 33 . 9 1 1 A 10 10 TRP H H 44 8.839 8.869 -0.030 1
1 34 . 9 1 1 A 10 10 TRP HA H 44 5.230 4.866 0.364 1
1 43 . 9 1 1 A 10 10 TRP CA C 44 54.430 56.038 -1.608 1
1 44 . 9 1 1 A 10 10 TRP CB C 44 27.230 29.745 -2.515 1
1 50 . 9 1 1 A 10 10 TRP N N 44 126.378 126.644 -0.266 1
1 51 . 9 1 1 A 11 11 VAL H H 45 9.230 8.135 1.095 1
1 52 . 9 1 1 A 11 11 VAL HA H 45 3.891 3.532 0.359 1
1 60 . 9 1 1 A 11 11 VAL CA C 45 63.500 66.339 -2.839 1
1 61 . 9 1 1 A 11 11 VAL CB C 45 30.420 31.402 -0.982 1
1 64 . 9 1 1 A 11 11 VAL N N 45 131.353 126.236 5.117 1
1 65 . 9 1 1 A 12 12 VAL H H 46 5.020 6.992 -1.972 1
1 66 . 9 1 1 A 12 12 VAL HA H 46 3.040 3.281 -0.241 1
1 74 . 9 1 1 A 12 12 VAL CA C 46 60.690 65.517 -4.827 1
1 75 . 9 1 1 A 12 12 VAL CB C 46 29.280 30.440 -1.160 1
1 78 . 9 1 1 A 13 13 GLY H H 47 7.330 8.189 -0.859 1
1 79 . 9 1 1 A 13 13 GLY HA2 H 47 3.590 3.863 -0.273 1
1 80 . 9 1 1 A 13 13 GLY HA3 H 47 4.180 3.965 0.215 1
1 81 . 9 1 1 A 13 13 GLY CA C 47 46.400 46.231 0.169 1
1 82 . 9 1 1 A 14 14 LYS H H 48 7.570 7.438 0.132 1
1 83 . 9 1 1 A 14 14 LYS HA H 48 4.066 4.152 -0.086 1
1 92 . 9 1 1 A 14 14 LYS CA C 48 57.337 58.465 -1.128 1
1 93 . 9 1 1 A 14 14 LYS CB C 48 30.490 33.075 -2.585 1
1 97 . 9 1 1 A 14 14 LYS N N 48 121.084 119.189 1.895 1
1 98 . 9 1 1 A 15 15 ASP H H 49 7.309 7.644 -0.335 1
1 99 . 9 1 1 A 15 15 ASP HA H 49 4.770 4.801 -0.031 1
1 102 . 9 1 1 A 15 15 ASP CA C 49 52.880 52.494 0.386 1
1 103 . 9 1 1 A 15 15 ASP CB C 49 41.910 40.945 0.965 1
1 104 . 9 1 1 A 15 15 ASP N N 49 118.181 115.888 2.293 1
1 105 . 9 1 1 A 16 16 LYS H H 50 7.506 7.592 -0.086 1
1 106 . 9 1 1 A 16 16 LYS HA H 50 4.059 3.835 0.224 1
1 115 . 9 1 1 A 16 16 LYS CA C 50 60.180 61.071 -0.891 1
1 116 . 9 1 1 A 16 16 LYS CB C 50 30.193 31.330 -1.137 1
1 120 . 9 1 1 A 16 16 LYS N N 50 123.633 119.949 3.684 1
1 121 . 9 1 1 A 17 17 PRO HA H 51 4.430 4.290 0.140 1
1 128 . 9 1 1 A 17 17 PRO CA C 51 65.660 65.903 -0.243 1
1 129 . 9 1 1 A 17 17 PRO CB C 51 29.600 30.886 -1.286 1
1 132 . 9 1 1 A 18 18 THR H H 52 7.285 7.528 -0.243 1
1 133 . 9 1 1 A 18 18 THR HA H 52 3.977 4.045 -0.068 1
1 138 . 9 1 1 A 18 18 THR CA C 52 64.330 65.305 -0.975 1
1 139 . 9 1 1 A 18 18 THR CB C 52 67.170 68.211 -1.041 1
1 141 . 9 1 1 A 18 18 THR N N 52 115.095 110.597 4.498 1
1 142 . 9 1 1 A 19 19 TYR H H 53 7.083 7.618 -0.535 1
1 143 . 9 1 1 A 19 19 TYR HA H 53 4.728 4.351 0.377 1
1 150 . 9 1 1 A 19 19 TYR CA C 53 57.110 62.020 -4.910 1
1 151 . 9 1 1 A 19 19 TYR CB C 53 35.130 37.059 -1.929 1
1 156 . 9 1 1 A 19 19 TYR N N 53 125.380 119.654 5.726 1
1 157 . 9 1 1 A 20 20 ASP H H 54 9.596 8.874 0.722 1
1 158 . 9 1 1 A 20 20 ASP HA H 54 4.512 4.628 -0.116 1
1 161 . 9 1 1 A 20 20 ASP CA C 54 55.515 57.932 -2.417 1
1 162 . 9 1 1 A 20 20 ASP CB C 54 38.740 41.323 -2.583 1
1 163 . 9 1 1 A 20 20 ASP N N 54 124.548 122.164 2.384 1
1 164 . 9 1 1 A 21 21 GLU H H 55 7.309 8.206 -0.897 1
1 165 . 9 1 1 A 21 21 GLU HA H 55 4.150 4.323 -0.173 1
1 170 . 9 1 1 A 21 21 GLU CA C 55 58.100 59.166 -1.066 1
1 171 . 9 1 1 A 21 21 GLU CB C 55 28.500 29.702 -1.202 1
1 173 . 9 1 1 A 21 21 GLU N N 55 118.181 119.221 -1.040 1
1 174 . 9 1 1 A 22 22 ILE H H 56 7.249 8.109 -0.860 1
1 175 . 9 1 1 A 22 22 ILE HA H 56 3.946 4.064 -0.118 1
1 185 . 9 1 1 A 22 22 ILE CA C 56 62.300 64.482 -2.182 1
1 186 . 9 1 1 A 22 22 ILE CB C 56 37.597 37.192 0.405 1
1 190 . 9 1 1 A 22 22 ILE N N 56 118.978 120.810 -1.832 1
1 191 . 9 1 1 A 23 23 PHE H H 57 9.117 8.388 0.729 1
1 192 . 9 1 1 A 23 23 PHE HA H 57 3.094 4.088 -0.994 1
1 200 . 9 1 1 A 23 23 PHE CA C 57 61.330 61.817 -0.487 1
1 201 . 9 1 1 A 23 23 PHE CB C 57 38.250 39.044 -0.794 1
1 207 . 9 1 1 A 23 23 PHE N N 57 127.639 122.192 5.447 1
1 208 . 9 1 1 A 24 24 TYR H H 58 7.922 8.423 -0.501 1
1 209 . 9 1 1 A 24 24 TYR HA H 58 4.000 4.324 -0.324 1
1 216 . 9 1 1 A 24 24 TYR CA C 58 60.480 61.273 -0.793 1
1 217 . 9 1 1 A 24 24 TYR CB C 58 36.086 38.102 -2.016 1
1 222 . 9 1 1 A 24 24 TYR N N 58 112.757 116.121 -3.364 1
1 223 . 9 1 1 A 25 25 THR H H 59 8.087 7.544 0.543 1
1 224 . 9 1 1 A 25 25 THR HA H 59 4.650 4.357 0.293 1
1 230 . 9 1 1 A 25 25 THR CA C 59 61.770 63.980 -2.210 1
1 231 . 9 1 1 A 25 25 THR CB C 59 68.900 69.275 -0.375 1
1 233 . 9 1 1 A 25 25 THR N N 59 112.676 113.203 -0.527 1
1 234 . 9 1 1 A 26 26 LEU H H 60 7.381 7.122 0.259 1
1 235 . 9 1 1 A 26 26 LEU HA H 60 4.470 4.334 0.136 1
1 245 . 9 1 1 A 26 26 LEU CA C 60 52.500 54.124 -1.624 1
1 246 . 9 1 1 A 26 26 LEU CB C 60 38.700 41.883 -3.183 1
1 250 . 9 1 1 A 26 26 LEU N N 60 125.808 120.555 5.253 1
1 251 . 9 1 1 A 27 27 SER H H 61 7.870 7.930 -0.060 1
1 252 . 9 1 1 A 27 27 SER HA H 61 3.980 4.032 -0.052 1
1 255 . 9 1 1 A 27 27 SER CA C 61 56.300 58.957 -2.657 1
1 256 . 9 1 1 A 27 27 SER CB C 61 60.230 61.587 -1.357 1
1 257 . 9 1 1 A 27 27 SER N N 61 111.582 113.987 -2.405 1
1 258 . 9 1 1 A 28 28 PRO HA H 62 4.200 4.712 -0.512 1
1 265 . 9 1 1 A 28 28 PRO CA C 62 61.600 62.029 -0.429 1
1 266 . 9 1 1 A 28 28 PRO CB C 62 29.890 31.232 -1.342 1
1 269 . 9 1 1 A 29 29 VAL H H 63 8.744 8.086 0.658 1
1 270 . 9 1 1 A 29 29 VAL HA H 63 4.180 4.250 -0.070 1
1 278 . 9 1 1 A 29 29 VAL CA C 63 60.660 60.409 0.251 1
1 279 . 9 1 1 A 29 29 VAL CB C 63 32.878 32.989 -0.111 1
1 282 . 9 1 1 A 29 29 VAL N N 63 124.299 118.332 5.967 1
1 283 . 9 1 1 A 30 30 ASN H H 64 9.713 9.497 0.216 1
1 284 . 9 1 1 A 30 30 ASN HA H 64 4.420 4.451 -0.031 1
1 289 . 9 1 1 A 30 30 ASN CA C 64 52.940 54.475 -1.535 1
1 290 . 9 1 1 A 30 30 ASN CB C 64 36.300 37.031 -0.731 1
1 291 . 9 1 1 A 30 30 ASN N N 64 129.729 120.357 9.372 1
1 293 . 9 1 1 A 31 31 GLY H H 65 8.867 8.578 0.289 1
1 294 . 9 1 1 A 31 31 GLY HA2 H 65 3.760 3.903 -0.143 1
1 295 . 9 1 1 A 31 31 GLY HA3 H 65 4.260 3.903 0.357 1
1 296 . 9 1 1 A 31 31 GLY CA C 65 44.260 45.569 -1.309 1
1 297 . 9 1 1 A 31 31 GLY N N 65 130.590 104.791 25.799 1
1 298 . 9 1 1 A 32 32 LYS H H 66 7.501 7.901 -0.400 1
1 299 . 9 1 1 A 32 32 LYS HA H 66 5.410 5.343 0.067 1
1 308 . 9 1 1 A 32 32 LYS CA C 66 53.780 54.544 -0.764 1
1 309 . 9 1 1 A 32 32 LYS CB C 66 36.540 36.543 -0.003 1
1 313 . 9 1 1 A 32 32 LYS N N 66 118.738 119.479 -0.741 1
1 314 . 9 1 1 A 33 33 ILE H H 67 9.216 8.989 0.227 1
1 315 . 9 1 1 A 33 33 ILE HA H 67 5.008 4.811 0.197 1
1 325 . 9 1 1 A 33 33 ILE CA C 67 57.470 59.085 -1.615 1
1 326 . 9 1 1 A 33 33 ILE CB C 67 39.700 40.913 -1.213 1
1 330 . 9 1 1 A 33 33 ILE N N 67 118.166 118.778 -0.612 1
1 331 . 9 1 1 A 34 34 THR H H 68 8.255 8.342 -0.087 1
1 332 . 9 1 1 A 34 34 THR HA H 68 4.548 4.705 -0.157 1
1 338 . 9 1 1 A 34 34 THR CA C 68 58.970 59.894 -0.924 1
1 339 . 9 1 1 A 34 34 THR CB C 68 69.762 71.288 -1.526 1
1 341 . 9 1 1 A 34 34 THR N N 68 111.971 114.002 -2.031 1
1 342 . 9 1 1 A 35 35 GLY H H 69 8.940 8.933 0.007 1
1 343 . 9 1 1 A 35 35 GLY HA2 H 69 3.630 3.679 -0.049 1
1 344 . 9 1 1 A 35 35 GLY HA3 H 69 3.900 3.903 -0.003 1
1 345 . 9 1 1 A 35 35 GLY CA C 69 46.900 46.861 0.039 1
1 346 . 9 1 1 A 35 35 GLY N N 69 110.161 109.211 0.950 1
1 347 . 9 1 1 A 36 36 ALA H H 70 8.265 8.009 0.256 1
1 348 . 9 1 1 A 36 36 ALA HA H 70 3.870 3.958 -0.088 1
1 352 . 9 1 1 A 36 36 ALA CA C 70 53.700 54.848 -1.148 1
1 353 . 9 1 1 A 36 36 ALA CB C 70 17.080 18.413 -1.333 1
1 354 . 9 1 1 A 36 36 ALA N N 70 123.384 124.636 -1.252 1
1 355 . 9 1 1 A 37 37 ASN H H 71 7.574 8.301 -0.727 1
1 356 . 9 1 1 A 37 37 ASN HA H 71 4.690 4.517 0.173 1
1 361 . 9 1 1 A 37 37 ASN CA C 71 54.000 55.594 -1.594 1
1 362 . 9 1 1 A 37 37 ASN CB C 71 36.300 37.895 -1.595 1
1 363 . 9 1 1 A 37 37 ASN N N 71 118.852 116.834 2.018 1
1 365 . 9 1 1 A 38 38 ALA H H 72 8.853 7.629 1.224 1
1 366 . 9 1 1 A 38 38 ALA HA H 72 4.108 4.250 -0.142 1
1 370 . 9 1 1 A 38 38 ALA CA C 72 54.450 55.244 -0.794 1
1 371 . 9 1 1 A 38 38 ALA CB C 72 17.970 18.738 -0.768 1
1 372 . 9 1 1 A 38 38 ALA N N 72 123.903 122.549 1.354 1
1 373 . 9 1 1 A 39 39 LYS H H 73 8.837 7.766 1.071 1
1 374 . 9 1 1 A 39 39 LYS HA H 73 3.970 3.925 0.045 1
1 383 . 9 1 1 A 39 39 LYS CA C 73 59.130 59.710 -0.580 1
1 384 . 9 1 1 A 39 39 LYS CB C 73 30.880 32.395 -1.515 1
1 388 . 9 1 1 A 39 39 LYS N N 73 120.578 118.395 2.183 1
1 389 . 9 1 1 A 40 40 LYS H H 74 7.209 7.864 -0.655 1
1 390 . 9 1 1 A 40 40 LYS HA H 74 3.988 3.979 0.009 1
1 399 . 9 1 1 A 40 40 LYS CA C 74 58.130 60.127 -1.997 1
1 400 . 9 1 1 A 40 40 LYS CB C 74 30.900 32.294 -1.394 1
1 404 . 9 1 1 A 40 40 LYS N N 74 117.823 118.177 -0.354 1
1 405 . 9 1 1 A 41 41 GLU H H 75 7.089 8.068 -0.979 1
1 406 . 9 1 1 A 41 41 GLU HA H 75 4.450 4.146 0.304 1
1 411 . 9 1 1 A 41 41 GLU CA C 75 56.160 59.726 -3.566 1
1 412 . 9 1 1 A 41 41 GLU CB C 75 28.900 29.241 -0.341 1
1 414 . 9 1 1 A 41 41 GLU N N 75 117.306 119.765 -2.459 1
1 415 . 9 1 1 A 42 42 MET H H 76 8.854 8.360 0.494 1
1 416 . 9 1 1 A 42 42 MET HA H 76 4.010 4.349 -0.339 1
1 424 . 9 1 1 A 42 42 MET CA C 76 58.600 58.525 0.075 1
1 425 . 9 1 1 A 42 42 MET CB C 76 33.770 31.906 1.864 1
1 428 . 9 1 1 A 42 42 MET N N 76 121.769 118.655 3.114 1
1 429 . 9 1 1 A 43 43 VAL H H 77 8.799 7.613 1.186 1
1 430 . 9 1 1 A 43 43 VAL HA H 77 4.110 3.933 0.177 1
1 438 . 9 1 1 A 43 43 VAL CA C 77 63.490 65.376 -1.886 1
1 439 . 9 1 1 A 43 43 VAL CB C 77 30.470 31.444 -0.974 1
1 442 . 9 1 1 A 43 43 VAL N N 77 116.182 114.973 1.209 1
1 443 . 9 1 1 A 44 44 LYS H H 78 7.498 7.978 -0.480 1
1 444 . 9 1 1 A 44 44 LYS HA H 78 4.130 4.256 -0.126 1
1 453 . 9 1 1 A 44 44 LYS CA C 78 57.670 58.646 -0.976 1
1 454 . 9 1 1 A 44 44 LYS CB C 78 30.990 32.381 -1.391 1
1 458 . 9 1 1 A 44 44 LYS N N 78 124.581 121.955 2.626 1
1 459 . 9 1 1 A 45 45 SER H H 79 7.508 7.436 0.072 1
1 460 . 9 1 1 A 45 45 SER HA H 79 4.068 4.504 -0.436 1
1 463 . 9 1 1 A 45 45 SER CA C 79 59.440 58.501 0.939 1
1 464 . 9 1 1 A 45 45 SER CB C 79 64.580 63.312 1.268 1
1 465 . 9 1 1 A 45 45 SER N N 79 114.450 112.611 1.839 1
1 466 . 9 1 1 A 46 46 LYS H H 80 7.802 7.535 0.267 1
1 467 . 9 1 1 A 46 46 LYS HA H 80 3.920 3.778 0.142 1
1 476 . 9 1 1 A 46 46 LYS CA C 80 56.810 57.364 -0.554 1
1 477 . 9 1 1 A 46 46 LYS CB C 80 27.840 29.044 -1.204 1
1 481 . 9 1 1 A 46 46 LYS N N 80 114.720 118.070 -3.350 1
1 482 . 9 1 1 A 47 47 LEU H H 81 7.468 7.713 -0.245 1
1 483 . 9 1 1 A 47 47 LEU HA H 81 4.480 4.854 -0.374 1
1 493 . 9 1 1 A 47 47 LEU CA C 81 52.000 51.317 0.683 1
1 494 . 9 1 1 A 47 47 LEU CB C 81 40.400 43.827 -3.427 1
1 498 . 9 1 1 A 47 47 LEU N N 81 122.848 118.902 3.946 1
1 499 . 9 1 1 A 48 48 PRO HA H 82 4.510 4.552 -0.042 1
1 506 . 9 1 1 A 48 48 PRO CA C 82 60.910 62.801 -1.891 1
1 507 . 9 1 1 A 48 48 PRO CB C 82 31.550 32.801 -1.251 1
1 510 . 9 1 1 A 49 49 ASN H H 83 7.580 8.678 -1.098 1
1 511 . 9 1 1 A 49 49 ASN HA H 83 4.220 4.408 -0.188 1
1 516 . 9 1 1 A 49 49 ASN CA C 83 56.000 56.158 -0.158 1
1 517 . 9 1 1 A 49 49 ASN CB C 83 36.900 38.290 -1.390 1
1 519 . 9 1 1 A 50 50 THR H H 84 7.270 8.088 -0.818 1
1 520 . 9 1 1 A 50 50 THR HA H 84 4.000 4.004 -0.004 1
1 525 . 9 1 1 A 50 50 THR CA C 84 63.474 65.692 -2.218 1
1 526 . 9 1 1 A 50 50 THR CB C 84 66.950 68.001 -1.051 1
1 528 . 9 1 1 A 51 51 VAL H H 85 6.827 8.239 -1.412 1
1 529 . 9 1 1 A 51 51 VAL HA H 85 3.620 3.871 -0.251 1
1 537 . 9 1 1 A 51 51 VAL CA C 85 64.100 67.315 -3.215 1
1 538 . 9 1 1 A 51 51 VAL CB C 85 30.500 31.263 -0.763 1
1 541 . 9 1 1 A 51 51 VAL N N 85 124.677 123.059 1.618 1
1 542 . 9 1 1 A 52 52 LEU H H 86 7.912 8.322 -0.410 1
1 543 . 9 1 1 A 52 52 LEU HA H 86 3.560 4.059 -0.499 1
1 553 . 9 1 1 A 52 52 LEU CA C 86 56.600 58.273 -1.673 1
1 554 . 9 1 1 A 52 52 LEU CB C 86 38.090 41.787 -3.697 1
1 558 . 9 1 1 A 52 52 LEU N N 86 121.680 119.504 2.176 1
1 559 . 9 1 1 A 53 53 GLY H H 87 8.429 8.575 -0.146 1
1 560 . 9 1 1 A 53 53 GLY HA2 H 87 3.940 3.800 0.140 1
1 561 . 9 1 1 A 53 53 GLY HA3 H 87 4.130 3.822 0.308 1
1 562 . 9 1 1 A 53 53 GLY CA C 87 46.200 47.153 -0.953 1
1 563 . 9 1 1 A 53 53 GLY N N 87 107.113 107.159 -0.046 1
1 564 . 9 1 1 A 54 54 LYS H H 88 7.260 7.966 -0.706 1
1 565 . 9 1 1 A 54 54 LYS HA H 88 4.150 4.038 0.112 1
1 574 . 9 1 1 A 54 54 LYS CA C 88 57.890 59.422 -1.532 1
1 575 . 9 1 1 A 54 54 LYS CB C 88 31.000 32.160 -1.160 1
1 579 . 9 1 1 A 54 54 LYS N N 88 124.980 122.055 2.925 1
1 580 . 9 1 1 A 55 55 ILE H H 89 8.019 8.171 -0.152 1
1 581 . 9 1 1 A 55 55 ILE HA H 89 3.476 3.531 -0.055 1
1 591 . 9 1 1 A 55 55 ILE CA C 89 65.360 66.084 -0.724 1
1 592 . 9 1 1 A 55 55 ILE CB C 89 36.300 38.410 -2.110 1
1 596 . 9 1 1 A 55 55 ILE N N 89 122.812 120.099 2.713 1
1 597 . 9 1 1 A 56 56 TRP H H 90 8.911 8.598 0.313 1
1 598 . 9 1 1 A 56 56 TRP HA H 90 3.810 4.213 -0.403 1
1 607 . 9 1 1 A 56 56 TRP CA C 90 60.260 60.545 -0.285 1
1 608 . 9 1 1 A 56 56 TRP CB C 90 27.000 29.853 -2.853 1
1 614 . 9 1 1 A 56 56 TRP N N 90 121.947 121.687 0.260 1
1 616 . 9 1 1 A 57 57 LYS H H 91 7.577 8.372 -0.795 1
1 617 . 9 1 1 A 57 57 LYS HA H 91 4.010 4.208 -0.198 1
1 626 . 9 1 1 A 57 57 LYS CA C 91 57.890 59.222 -1.332 1
1 627 . 9 1 1 A 57 57 LYS CB C 91 31.300 32.302 -1.002 1
1 631 . 9 1 1 A 57 57 LYS N N 91 117.344 119.404 -2.060 1
1 632 . 9 1 1 A 58 58 LEU H H 92 7.571 7.677 -0.106 1
1 633 . 9 1 1 A 58 58 LEU HA H 92 3.995 4.183 -0.188 1
1 643 . 9 1 1 A 58 58 LEU CA C 92 55.780 57.263 -1.483 1
1 644 . 9 1 1 A 58 58 LEU CB C 92 42.270 41.982 0.288 1
1 648 . 9 1 1 A 58 58 LEU N N 92 119.520 118.786 0.734 1
1 649 . 9 1 1 A 59 59 ALA H H 93 8.135 8.079 0.056 1
1 650 . 9 1 1 A 59 59 ALA HA H 93 4.150 4.163 -0.013 1
1 654 . 9 1 1 A 59 59 ALA CA C 93 52.400 54.909 -2.509 1
1 655 . 9 1 1 A 59 59 ALA CB C 93 17.700 18.152 -0.452 1
1 656 . 9 1 1 A 59 59 ALA N N 93 120.351 121.466 -1.115 1
1 657 . 9 1 1 A 60 60 ASP H H 94 7.733 7.563 0.170 1
1 658 . 9 1 1 A 60 60 ASP HA H 94 4.560 4.366 0.194 1
1 661 . 9 1 1 A 60 60 ASP CA C 94 50.550 54.018 -3.468 1
1 662 . 9 1 1 A 60 60 ASP CB C 94 35.220 40.781 -5.561 1
1 663 . 9 1 1 A 60 60 ASP N N 94 115.750 117.335 -1.585 1
1 664 . 9 1 1 A 61 61 VAL H H 95 8.358 8.455 -0.097 1
1 665 . 9 1 1 A 61 61 VAL HA H 95 3.500 3.780 -0.280 1
1 673 . 9 1 1 A 61 61 VAL CA C 95 64.360 66.130 -1.770 1
1 674 . 9 1 1 A 61 61 VAL CB C 95 31.330 31.726 -0.396 1
1 677 . 9 1 1 A 61 61 VAL N N 95 129.465 124.707 4.758 1
1 678 . 9 1 1 A 62 62 ASP H H 96 7.910 8.010 -0.100 1
1 679 . 9 1 1 A 62 62 ASP HA H 96 4.530 4.552 -0.022 1
1 682 . 9 1 1 A 62 62 ASP CA C 96 51.630 53.783 -2.153 1
1 683 . 9 1 1 A 62 62 ASP CB C 96 38.300 40.667 -2.367 1
1 684 . 9 1 1 A 62 62 ASP N N 96 115.789 117.150 -1.361 1
1 685 . 9 1 1 A 63 63 LYS H H 97 7.590 7.776 -0.186 1
1 686 . 9 1 1 A 63 63 LYS HA H 97 3.850 4.523 -0.673 1
1 695 . 9 1 1 A 63 63 LYS CA C 97 56.450 57.110 -0.660 1
1 696 . 9 1 1 A 63 63 LYS CB C 97 28.000 30.116 -2.116 1
1 700 . 9 1 1 A 63 63 LYS N N 97 115.885 115.334 0.551 1
1 701 . 9 1 1 A 64 64 ASP H H 98 8.379 8.107 0.272 1
1 702 . 9 1 1 A 64 64 ASP HA H 98 4.707 4.774 -0.067 1
1 705 . 9 1 1 A 64 64 ASP CA C 98 52.060 52.986 -0.926 1
1 706 . 9 1 1 A 64 64 ASP CB C 98 39.500 41.224 -1.724 1
1 707 . 9 1 1 A 64 64 ASP N N 98 119.948 118.277 1.671 1
1 708 . 9 1 1 A 65 65 GLY H H 99 10.740 8.405 2.335 1
1 709 . 9 1 1 A 65 65 GLY HA2 H 99 3.990 4.072 -0.082 1
1 710 . 9 1 1 A 65 65 GLY HA3 H 99 4.360 4.333 0.027 1
1 711 . 9 1 1 A 65 65 GLY CA C 99 45.160 46.328 -1.168 1
1 712 . 9 1 1 A 65 65 GLY N N 99 115.529 111.010 4.519 1
1 713 . 9 1 1 A 66 66 LEU H H 100 8.197 7.545 0.652 1
1 714 . 9 1 1 A 66 66 LEU HA H 100 5.180 5.145 0.035 1
1 724 . 9 1 1 A 66 66 LEU CA C 100 52.200 53.100 -0.900 1
1 725 . 9 1 1 A 66 66 LEU CB C 100 44.290 45.946 -1.656 1
1 729 . 9 1 1 A 66 66 LEU N N 100 123.347 121.561 1.786 1
1 730 . 9 1 1 A 67 67 LEU H H 101 8.697 9.091 -0.394 1
1 731 . 9 1 1 A 67 67 LEU HA H 101 5.796 4.966 0.830 1
1 741 . 9 1 1 A 67 67 LEU CA C 101 51.600 53.595 -1.995 1
1 742 . 9 1 1 A 67 67 LEU CB C 101 42.100 43.747 -1.647 1
1 746 . 9 1 1 A 67 67 LEU N N 101 121.209 122.552 -1.343 1
1 747 . 9 1 1 A 68 68 ASP H H 102 9.241 8.741 0.500 1
1 748 . 9 1 1 A 68 68 ASP HA H 102 5.620 4.838 0.782 1
1 751 . 9 1 1 A 68 68 ASP CA C 102 50.980 52.789 -1.809 1
1 752 . 9 1 1 A 68 68 ASP CB C 102 39.750 41.290 -1.540 1
1 753 . 9 1 1 A 68 68 ASP N N 102 124.386 125.450 -1.064 1
1 754 . 9 1 1 A 69 69 ASP H H 103 8.523 8.594 -0.071 1
1 755 . 9 1 1 A 69 69 ASP HA H 103 2.830 3.532 -0.702 1
1 758 . 9 1 1 A 69 69 ASP CA C 103 56.160 56.039 0.121 1
1 759 . 9 1 1 A 69 69 ASP CB C 103 37.160 39.360 -2.200 1
1 760 . 9 1 1 A 69 69 ASP N N 103 117.349 118.013 -0.664 1
1 761 . 9 1 1 A 70 70 GLU H H 104 8.003 7.828 0.175 1
1 762 . 9 1 1 A 70 70 GLU HA H 104 4.075 4.346 -0.271 1
1 767 . 9 1 1 A 70 70 GLU CA C 104 58.950 59.257 -0.307 1
1 768 . 9 1 1 A 70 70 GLU CB C 104 29.134 29.710 -0.576 1
1 770 . 9 1 1 A 70 70 GLU N N 104 124.806 120.532 4.274 1
1 771 . 9 1 1 A 71 71 GLU H H 105 8.758 8.348 0.410 1
1 772 . 9 1 1 A 71 71 GLU HA H 105 4.030 4.086 -0.056 1
1 777 . 9 1 1 A 71 71 GLU CA C 105 58.570 59.129 -0.559 1
1 778 . 9 1 1 A 71 71 GLU CB C 105 30.270 29.434 0.836 1
1 780 . 9 1 1 A 71 71 GLU N N 105 123.541 120.235 3.306 1
1 781 . 9 1 1 A 72 72 PHE H H 106 9.416 8.715 0.701 1
1 782 . 9 1 1 A 72 72 PHE HA H 106 4.230 4.144 0.086 1
1 790 . 9 1 1 A 72 72 PHE CA C 106 60.000 61.677 -1.677 1
1 791 . 9 1 1 A 72 72 PHE CB C 106 38.440 39.028 -0.588 1
1 797 . 9 1 1 A 72 72 PHE N N 106 120.706 121.646 -0.940 1
1 798 . 9 1 1 A 73 73 ALA H H 107 8.085 8.178 -0.093 1
1 799 . 9 1 1 A 73 73 ALA HA H 107 3.778 4.001 -0.223 1
1 803 . 9 1 1 A 73 73 ALA CA C 107 54.010 55.324 -1.314 1
1 804 . 9 1 1 A 73 73 ALA CB C 107 16.691 18.095 -1.404 1
1 805 . 9 1 1 A 73 73 ALA N N 107 126.845 121.345 5.500 1
1 806 . 9 1 1 A 74 74 LEU H H 108 8.443 8.195 0.248 1
1 807 . 9 1 1 A 74 74 LEU HA H 108 4.048 4.122 -0.074 1
1 817 . 9 1 1 A 74 74 LEU CA C 108 56.811 57.523 -0.712 1
1 818 . 9 1 1 A 74 74 LEU CB C 108 41.090 41.653 -0.563 1
1 822 . 9 1 1 A 74 74 LEU N N 108 121.249 120.701 0.548 1
1 823 . 9 1 1 A 75 75 ALA H H 109 8.677 8.310 0.367 1
1 824 . 9 1 1 A 75 75 ALA HA H 109 3.648 3.957 -0.309 1
1 828 . 9 1 1 A 75 75 ALA CA C 109 54.220 55.595 -1.375 1
1 829 . 9 1 1 A 75 75 ALA CB C 109 15.367 18.205 -2.838 1
1 830 . 9 1 1 A 75 75 ALA N N 109 122.981 121.325 1.656 1
1 831 . 9 1 1 A 76 76 ASN H H 110 7.270 7.720 -0.450 1
1 832 . 9 1 1 A 76 76 ASN HA H 110 3.800 4.113 -0.313 1
1 837 . 9 1 1 A 76 76 ASN CA C 110 55.500 55.953 -0.453 1
1 838 . 9 1 1 A 76 76 ASN CB C 110 36.610 37.037 -0.427 1
1 839 . 9 1 1 A 76 76 ASN N N 110 115.791 116.107 -0.316 1
1 841 . 9 1 1 A 77 77 HIS H H 111 8.363 7.900 0.463 1
1 842 . 9 1 1 A 77 77 HIS HA H 111 4.092 4.381 -0.289 1
1 847 . 9 1 1 A 77 77 HIS CA C 111 59.180 59.395 -0.215 1
1 848 . 9 1 1 A 77 77 HIS CB C 111 30.420 29.739 0.681 1
1 851 . 9 1 1 A 77 77 HIS N N 111 124.686 120.729 3.957 1
1 852 . 9 1 1 A 78 78 LEU H H 112 8.278 8.152 0.126 1
1 853 . 9 1 1 A 78 78 LEU HA H 112 3.820 3.858 -0.038 1
1 863 . 9 1 1 A 78 78 LEU CA C 112 56.115 57.594 -1.479 1
1 864 . 9 1 1 A 78 78 LEU CB C 112 41.000 41.392 -0.392 1
1 868 . 9 1 1 A 78 78 LEU N N 112 119.085 119.078 0.007 1
1 869 . 9 1 1 A 79 79 ILE H H 113 7.799 7.961 -0.162 1
1 870 . 9 1 1 A 79 79 ILE HA H 113 3.270 3.372 -0.102 1
1 880 . 9 1 1 A 79 79 ILE CA C 113 65.020 66.357 -1.337 1
1 881 . 9 1 1 A 79 79 ILE CB C 113 36.730 37.974 -1.244 1
1 885 . 9 1 1 A 79 79 ILE N N 113 121.304 120.180 1.124 1
1 886 . 9 1 1 A 80 80 LYS H H 114 7.546 8.142 -0.596 1
1 887 . 9 1 1 A 80 80 LYS HA H 114 3.820 3.901 -0.081 1
1 896 . 9 1 1 A 80 80 LYS CA C 114 58.970 59.685 -0.715 1
1 897 . 9 1 1 A 80 80 LYS CB C 114 30.470 31.956 -1.486 1
1 901 . 9 1 1 A 80 80 LYS N N 114 122.150 121.161 0.989 1
1 902 . 9 1 1 A 81 81 VAL H H 115 8.110 7.607 0.503 1
1 903 . 9 1 1 A 81 81 VAL HA H 115 3.736 3.774 -0.038 1
1 911 . 9 1 1 A 81 81 VAL CA C 115 64.500 65.856 -1.356 1
1 912 . 9 1 1 A 81 81 VAL CB C 115 30.050 31.457 -1.407 1
1 915 . 9 1 1 A 81 81 VAL N N 115 118.999 118.320 0.679 1
1 916 . 9 1 1 A 82 82 LYS H H 116 7.853 7.740 0.113 1
1 917 . 9 1 1 A 82 82 LYS HA H 116 4.520 4.136 0.384 1
1 926 . 9 1 1 A 82 82 LYS CA C 116 56.000 59.609 -3.609 1
1 927 . 9 1 1 A 82 82 LYS CB C 116 30.340 32.442 -2.102 1
1 931 . 9 1 1 A 82 82 LYS N N 116 123.030 122.117 0.913 1
1 932 . 9 1 1 A 83 83 LEU H H 117 8.959 8.181 0.778 1
1 933 . 9 1 1 A 83 83 LEU HA H 117 4.080 4.005 0.075 1
1 943 . 9 1 1 A 83 83 LEU CA C 117 56.620 57.512 -0.892 1
1 944 . 9 1 1 A 83 83 LEU CB C 117 40.361 40.899 -0.538 1
1 948 . 9 1 1 A 83 83 LEU N N 117 125.378 119.868 5.510 1
1 949 . 9 1 1 A 84 84 GLU H H 118 7.817 8.090 -0.273 1
1 950 . 9 1 1 A 84 84 GLU HA H 118 4.156 4.269 -0.113 1
1 955 . 9 1 1 A 84 84 GLU CA C 118 55.100 56.465 -1.365 1
1 956 . 9 1 1 A 84 84 GLU CB C 118 28.600 30.053 -1.453 1
1 958 . 9 1 1 A 84 84 GLU N N 118 119.766 116.905 2.861 1
1 959 . 9 1 1 A 85 85 GLY H H 119 7.862 8.132 -0.270 1
1 960 . 9 1 1 A 85 85 GLY HA2 H 119 3.640 3.756 -0.116 1
1 961 . 9 1 1 A 85 85 GLY HA3 H 119 4.140 3.847 0.293 1
1 962 . 9 1 1 A 85 85 GLY CA C 119 43.690 45.394 -1.704 1
1 963 . 9 1 1 A 85 85 GLY N N 119 107.933 108.200 -0.267 1
1 964 . 9 1 1 A 86 86 HIS H H 120 7.714 8.014 -0.300 1
1 965 . 9 1 1 A 86 86 HIS HA H 120 4.670 5.060 -0.390 1
1 970 . 9 1 1 A 86 86 HIS CA C 120 53.780 54.833 -1.053 1
1 971 . 9 1 1 A 86 86 HIS CB C 120 29.390 33.531 -4.141 1
1 973 . 9 1 1 A 86 86 HIS N N 120 122.124 117.345 4.779 1
1 974 . 9 1 1 A 87 87 GLU H H 121 8.491 9.062 -0.571 1
1 975 . 9 1 1 A 87 87 GLU HA H 121 4.300 4.966 -0.666 1
1 980 . 9 1 1 A 87 87 GLU CA C 121 54.000 55.096 -1.096 1
1 981 . 9 1 1 A 87 87 GLU CB C 121 29.120 32.060 -2.940 1
1 983 . 9 1 1 A 87 87 GLU N N 121 121.826 119.446 2.380 1
1 984 . 9 1 1 A 88 88 LEU H H 122 8.659 8.660 -0.001 1
1 985 . 9 1 1 A 88 88 LEU HA H 122 4.417 4.695 -0.278 1
1 995 . 9 1 1 A 88 88 LEU CA C 122 50.777 53.284 -2.507 1
1 996 . 9 1 1 A 88 88 LEU CB C 122 39.986 41.784 -1.798 1
1 1000 . 9 1 1 A 88 88 LEU N N 122 125.316 121.745 3.571 1
1 1001 . 9 1 1 A 89 89 PRO HA H 123 4.570 4.554 0.016 1
1 1008 . 9 1 1 A 89 89 PRO CA C 123 60.690 63.510 -2.820 1
1 1009 . 9 1 1 A 89 89 PRO CB C 123 30.320 32.164 -1.844 1
1 1012 . 9 1 1 A 90 90 ALA H H 124 8.464 7.960 0.504 1
1 1013 . 9 1 1 A 90 90 ALA HA H 124 4.068 3.956 0.112 1
1 1017 . 9 1 1 A 90 90 ALA CA C 124 52.700 53.604 -0.904 1
1 1018 . 9 1 1 A 90 90 ALA CB C 124 17.760 17.913 -0.153 1
1 1019 . 9 1 1 A 90 90 ALA N N 124 123.603 120.323 3.280 1
1 1020 . 9 1 1 A 91 91 ASP H H 125 7.482 7.829 -0.347 1
1 1021 . 9 1 1 A 91 91 ASP HA H 125 4.630 5.125 -0.495 1
1 1024 . 9 1 1 A 91 91 ASP CA C 125 50.340 52.663 -2.323 1
1 1025 . 9 1 1 A 91 91 ASP CB C 125 42.620 45.067 -2.447 1
1 1026 . 9 1 1 A 91 91 ASP N N 125 115.317 116.040 -0.723 1
1 1027 . 9 1 1 A 92 92 LEU H H 126 8.883 8.992 -0.109 1
1 1028 . 9 1 1 A 92 92 LEU HA H 126 4.196 4.934 -0.738 1
1 1038 . 9 1 1 A 92 92 LEU CA C 126 51.930 51.524 0.406 1
1 1039 . 9 1 1 A 92 92 LEU CB C 126 41.032 42.869 -1.837 1
1 1043 . 9 1 1 A 92 92 LEU N N 126 125.329 122.701 2.628 1
1 1044 . 9 1 1 A 93 93 PRO HA H 127 4.860 4.526 0.334 1
1 1051 . 9 1 1 A 93 93 PRO CA C 127 59.820 61.751 -1.931 1
1 1052 . 9 1 1 A 93 93 PRO CB C 127 29.800 32.221 -2.421 1
1 1055 . 9 1 1 A 94 94 PRO HA H 128 4.220 4.172 0.048 1
1 1062 . 9 1 1 A 94 94 PRO CA C 128 64.560 65.220 -0.660 1
1 1063 . 9 1 1 A 94 94 PRO CB C 128 30.900 31.876 -0.976 1
1 1066 . 9 1 1 A 95 95 HIS H H 129 7.922 8.144 -0.222 1
1 1067 . 9 1 1 A 95 95 HIS HA H 129 4.650 4.561 0.089 1
1 1072 . 9 1 1 A 95 95 HIS CA C 129 56.810 56.450 0.360 1
1 1073 . 9 1 1 A 95 95 HIS CB C 129 28.100 29.690 -1.590 1
1 1076 . 9 1 1 A 95 95 HIS N N 129 112.757 114.294 -1.537 1
1 1077 . 9 1 1 A 96 96 LEU H H 130 7.717 7.858 -0.141 1
1 1078 . 9 1 1 A 96 96 LEU HA H 130 4.646 4.775 -0.129 1
1 1088 . 9 1 1 A 96 96 LEU CA C 130 52.920 54.626 -1.706 1
1 1089 . 9 1 1 A 96 96 LEU CB C 130 42.210 43.440 -1.230 1
1 1093 . 9 1 1 A 96 96 LEU N N 130 121.128 119.134 1.994 1
1 1094 . 9 1 1 A 97 97 VAL H H 131 7.173 7.364 -0.191 1
1 1095 . 9 1 1 A 97 97 VAL HA H 131 3.720 4.166 -0.446 1
1 1103 . 9 1 1 A 97 97 VAL CA C 131 60.520 59.561 0.959 1
1 1104 . 9 1 1 A 97 97 VAL CB C 131 31.310 31.992 -0.682 1
1 1107 . 9 1 1 A 97 97 VAL N N 131 125.460 121.296 4.164 1
1 1108 . 9 1 1 A 98 98 PRO HA H 132 2.720 3.775 -1.055 1
1 1115 . 9 1 1 A 98 98 PRO CA C 132 59.400 61.983 -2.583 1
1 1116 . 9 1 1 A 98 98 PRO CB C 132 30.250 31.880 -1.630 1
1 1119 . 9 1 1 A 99 99 PRO HA H 133 3.610 4.014 -0.404 1
1 1126 . 9 1 1 A 99 99 PRO CA C 133 64.760 64.927 -0.167 1
1 1127 . 9 1 1 A 99 99 PRO CB C 133 30.770 31.720 -0.950 1
1 1130 . 9 1 1 A 100 100 SER H H 134 9.222 7.642 1.580 1
1 1131 . 9 1 1 A 100 100 SER HA H 134 4.140 4.280 -0.140 1
1 1134 . 9 1 1 A 100 100 SER CA C 134 59.660 60.120 -0.460 1
1 1135 . 9 1 1 A 100 100 SER CB C 134 61.320 63.146 -1.826 1
1 1136 . 9 1 1 A 100 100 SER N N 134 115.005 112.379 2.626 1
1 1137 . 9 1 1 A 101 101 LYS H H 135 7.867 7.465 0.402 1
1 1138 . 9 1 1 A 101 101 LYS HA H 135 4.470 4.534 -0.064 1
1 1147 . 9 1 1 A 101 101 LYS CA C 135 52.490 55.416 -2.926 1
1 1148 . 9 1 1 A 101 101 LYS CB C 135 30.600 32.201 -1.601 1
1 1152 . 9 1 1 A 101 101 LYS N N 135 121.053 117.370 3.683 1
1 1153 . 9 1 1 A 102 102 ARG H H 136 7.077 7.314 -0.237 1
1 1154 . 9 1 1 A 102 102 ARG HA H 136 4.110 4.501 -0.391 1
1 1165 . 9 1 1 A 102 102 ARG CA C 136 55.440 55.086 0.354 1
1 1166 . 9 1 1 A 102 102 ARG CB C 136 29.100 30.981 -1.881 1
1 1169 . 9 1 1 A 102 102 ARG N N 136 121.944 120.419 1.525 1
1 1170 . 9 1 1 A 103 103 ARG H H 137 8.289 8.615 -0.326 1
1 1171 . 9 1 1 A 103 103 ARG HA H 137 4.274 4.433 -0.159 1
1 1182 . 9 1 1 A 103 103 ARG CA C 137 54.100 55.558 -1.458 1
1 1183 . 9 1 1 A 103 103 ARG CB C 137 29.700 29.850 -0.150 1
1 1186 . 9 1 1 A 103 103 ARG N N 137 123.504 123.179 0.325 1
1 1187 . 9 1 1 A 104 104 HIS H H 138 8.370 8.283 0.087 1
1 1188 . 9 1 1 A 104 104 HIS HA H 138 4.662 4.773 -0.111 1
1 1192 . 9 1 1 A 104 104 HIS CA C 138 54.110 55.846 -1.736 1
1 1193 . 9 1 1 A 104 104 HIS CB C 138 28.730 30.613 -1.883 1
1 1 . 10 1 1 A 6 6 ASP HA H 40 4.430 5.393 -0.963 1
1 2 . 10 1 1 A 7 7 ASP H H 41 8.479 8.658 -0.179 1
1 3 . 10 1 1 A 7 7 ASP HA H 41 4.640 4.798 -0.158 1
1 6 . 10 1 1 A 7 7 ASP CA C 41 52.900 53.823 -0.923 1
1 7 . 10 1 1 A 7 7 ASP CB C 41 39.760 41.074 -1.314 1
1 8 . 10 1 1 A 7 7 ASP N N 41 124.447 126.218 -1.771 1
1 9 . 10 1 1 A 8 8 VAL H H 42 7.916 8.466 -0.550 1
1 10 . 10 1 1 A 8 8 VAL HA H 42 4.142 4.196 -0.054 1
1 18 . 10 1 1 A 8 8 VAL CA C 42 60.460 62.296 -1.836 1
1 19 . 10 1 1 A 8 8 VAL CB C 42 31.579 32.858 -1.279 1
1 22 . 10 1 1 A 8 8 VAL N N 42 120.853 126.714 -5.861 1
1 23 . 10 1 1 A 9 9 GLU H H 43 8.476 8.608 -0.132 1
1 24 . 10 1 1 A 9 9 GLU HA H 43 4.290 4.587 -0.297 1
1 29 . 10 1 1 A 9 9 GLU CA C 43 55.300 55.836 -0.536 1
1 30 . 10 1 1 A 9 9 GLU CB C 43 29.120 28.714 0.406 1
1 32 . 10 1 1 A 9 9 GLU N N 43 127.650 126.458 1.192 1
1 33 . 10 1 1 A 10 10 TRP H H 44 8.839 8.740 0.099 1
1 34 . 10 1 1 A 10 10 TRP HA H 44 5.230 4.972 0.258 1
1 43 . 10 1 1 A 10 10 TRP CA C 44 54.430 55.762 -1.332 1
1 44 . 10 1 1 A 10 10 TRP CB C 44 27.230 29.248 -2.018 1
1 50 . 10 1 1 A 10 10 TRP N N 44 126.378 128.456 -2.078 1
1 51 . 10 1 1 A 11 11 VAL H H 45 9.230 8.406 0.824 1
1 52 . 10 1 1 A 11 11 VAL HA H 45 3.891 3.603 0.288 1
1 60 . 10 1 1 A 11 11 VAL CA C 45 63.500 65.338 -1.838 1
1 61 . 10 1 1 A 11 11 VAL CB C 45 30.420 31.219 -0.799 1
1 64 . 10 1 1 A 11 11 VAL N N 45 131.353 125.737 5.616 1
1 65 . 10 1 1 A 12 12 VAL H H 46 5.020 7.071 -2.051 1
1 66 . 10 1 1 A 12 12 VAL HA H 46 3.040 3.847 -0.807 1
1 74 . 10 1 1 A 12 12 VAL CA C 46 60.690 65.450 -4.760 1
1 75 . 10 1 1 A 12 12 VAL CB C 46 29.280 30.265 -0.985 1
1 78 . 10 1 1 A 13 13 GLY H H 47 7.330 8.091 -0.761 1
1 79 . 10 1 1 A 13 13 GLY HA2 H 47 3.590 3.988 -0.398 1
1 80 . 10 1 1 A 13 13 GLY HA3 H 47 4.180 4.036 0.144 1
1 81 . 10 1 1 A 13 13 GLY CA C 47 46.400 46.557 -0.157 1
1 82 . 10 1 1 A 14 14 LYS H H 48 7.570 7.449 0.121 1
1 83 . 10 1 1 A 14 14 LYS HA H 48 4.066 4.278 -0.212 1
1 92 . 10 1 1 A 14 14 LYS CA C 48 57.337 57.637 -0.300 1
1 93 . 10 1 1 A 14 14 LYS CB C 48 30.490 33.377 -2.887 1
1 97 . 10 1 1 A 14 14 LYS N N 48 121.084 118.911 2.173 1
1 98 . 10 1 1 A 15 15 ASP H H 49 7.309 7.674 -0.365 1
1 99 . 10 1 1 A 15 15 ASP HA H 49 4.770 4.756 0.014 1
1 102 . 10 1 1 A 15 15 ASP CA C 49 52.880 52.355 0.525 1
1 103 . 10 1 1 A 15 15 ASP CB C 49 41.910 40.428 1.482 1
1 104 . 10 1 1 A 15 15 ASP N N 49 118.181 116.442 1.739 1
1 105 . 10 1 1 A 16 16 LYS H H 50 7.506 7.571 -0.065 1
1 106 . 10 1 1 A 16 16 LYS HA H 50 4.059 4.070 -0.011 1
1 115 . 10 1 1 A 16 16 LYS CA C 50 60.180 60.900 -0.720 1
1 116 . 10 1 1 A 16 16 LYS CB C 50 30.193 32.336 -2.143 1
1 120 . 10 1 1 A 16 16 LYS N N 50 123.633 119.720 3.913 1
1 121 . 10 1 1 A 17 17 PRO HA H 51 4.430 4.330 0.100 1
1 128 . 10 1 1 A 17 17 PRO CA C 51 65.660 65.527 0.133 1
1 129 . 10 1 1 A 17 17 PRO CB C 51 29.600 31.052 -1.452 1
1 132 . 10 1 1 A 18 18 THR H H 52 7.285 7.467 -0.182 1
1 133 . 10 1 1 A 18 18 THR HA H 52 3.977 3.994 -0.017 1
1 138 . 10 1 1 A 18 18 THR CA C 52 64.330 65.160 -0.830 1
1 139 . 10 1 1 A 18 18 THR CB C 52 67.170 68.061 -0.891 1
1 141 . 10 1 1 A 18 18 THR N N 52 115.095 111.323 3.772 1
1 142 . 10 1 1 A 19 19 TYR H H 53 7.083 7.332 -0.249 1
1 143 . 10 1 1 A 19 19 TYR HA H 53 4.728 4.462 0.266 1
1 150 . 10 1 1 A 19 19 TYR CA C 53 57.110 62.176 -5.066 1
1 151 . 10 1 1 A 19 19 TYR CB C 53 35.130 37.406 -2.276 1
1 156 . 10 1 1 A 19 19 TYR N N 53 125.380 119.188 6.192 1
1 157 . 10 1 1 A 20 20 ASP H H 54 9.596 8.612 0.984 1
1 158 . 10 1 1 A 20 20 ASP HA H 54 4.512 4.239 0.273 1
1 161 . 10 1 1 A 20 20 ASP CA C 54 55.515 57.819 -2.304 1
1 162 . 10 1 1 A 20 20 ASP CB C 54 38.740 41.537 -2.797 1
1 163 . 10 1 1 A 20 20 ASP N N 54 124.548 121.843 2.705 1
1 164 . 10 1 1 A 21 21 GLU H H 55 7.309 8.132 -0.823 1
1 165 . 10 1 1 A 21 21 GLU HA H 55 4.150 4.219 -0.069 1
1 170 . 10 1 1 A 21 21 GLU CA C 55 58.100 59.148 -1.048 1
1 171 . 10 1 1 A 21 21 GLU CB C 55 28.500 29.695 -1.195 1
1 173 . 10 1 1 A 21 21 GLU N N 55 118.181 119.043 -0.862 1
1 174 . 10 1 1 A 22 22 ILE H H 56 7.249 8.000 -0.751 1
1 175 . 10 1 1 A 22 22 ILE HA H 56 3.946 4.009 -0.063 1
1 185 . 10 1 1 A 22 22 ILE CA C 56 62.300 65.045 -2.745 1
1 186 . 10 1 1 A 22 22 ILE CB C 56 37.597 37.664 -0.067 1
1 190 . 10 1 1 A 22 22 ILE N N 56 118.978 120.214 -1.236 1
1 191 . 10 1 1 A 23 23 PHE H H 57 9.117 8.673 0.444 1
1 192 . 10 1 1 A 23 23 PHE HA H 57 3.094 3.615 -0.521 1
1 200 . 10 1 1 A 23 23 PHE CA C 57 61.330 61.425 -0.095 1
1 201 . 10 1 1 A 23 23 PHE CB C 57 38.250 38.691 -0.441 1
1 207 . 10 1 1 A 23 23 PHE N N 57 127.639 121.726 5.913 1
1 208 . 10 1 1 A 24 24 TYR H H 58 7.922 7.851 0.071 1
1 209 . 10 1 1 A 24 24 TYR HA H 58 4.000 4.338 -0.338 1
1 216 . 10 1 1 A 24 24 TYR CA C 58 60.480 60.887 -0.407 1
1 217 . 10 1 1 A 24 24 TYR CB C 58 36.086 38.630 -2.544 1
1 222 . 10 1 1 A 24 24 TYR N N 58 112.757 115.636 -2.879 1
1 223 . 10 1 1 A 25 25 THR H H 59 8.087 7.735 0.352 1
1 224 . 10 1 1 A 25 25 THR HA H 59 4.650 4.367 0.283 1
1 230 . 10 1 1 A 25 25 THR CA C 59 61.770 63.567 -1.797 1
1 231 . 10 1 1 A 25 25 THR CB C 59 68.900 69.252 -0.352 1
1 233 . 10 1 1 A 25 25 THR N N 59 112.676 113.173 -0.497 1
1 234 . 10 1 1 A 26 26 LEU H H 60 7.381 7.004 0.377 1
1 235 . 10 1 1 A 26 26 LEU HA H 60 4.470 4.356 0.114 1
1 245 . 10 1 1 A 26 26 LEU CA C 60 52.500 54.130 -1.630 1
1 246 . 10 1 1 A 26 26 LEU CB C 60 38.700 42.292 -3.592 1
1 250 . 10 1 1 A 26 26 LEU N N 60 125.808 120.744 5.064 1
1 251 . 10 1 1 A 27 27 SER H H 61 7.870 7.712 0.158 1
1 252 . 10 1 1 A 27 27 SER HA H 61 3.980 4.227 -0.247 1
1 255 . 10 1 1 A 27 27 SER CA C 61 56.300 58.517 -2.217 1
1 256 . 10 1 1 A 27 27 SER CB C 61 60.230 61.865 -1.635 1
1 257 . 10 1 1 A 27 27 SER N N 61 111.582 113.227 -1.645 1
1 258 . 10 1 1 A 28 28 PRO HA H 62 4.200 4.605 -0.405 1
1 265 . 10 1 1 A 28 28 PRO CA C 62 61.600 62.123 -0.523 1
1 266 . 10 1 1 A 28 28 PRO CB C 62 29.890 31.723 -1.833 1
1 269 . 10 1 1 A 29 29 VAL H H 63 8.744 8.155 0.589 1
1 270 . 10 1 1 A 29 29 VAL HA H 63 4.180 4.372 -0.192 1
1 278 . 10 1 1 A 29 29 VAL CA C 63 60.660 60.261 0.399 1
1 279 . 10 1 1 A 29 29 VAL CB C 63 32.878 33.325 -0.447 1
1 282 . 10 1 1 A 29 29 VAL N N 63 124.299 117.891 6.408 1
1 283 . 10 1 1 A 30 30 ASN H H 64 9.713 9.516 0.197 1
1 284 . 10 1 1 A 30 30 ASN HA H 64 4.420 4.472 -0.052 1
1 289 . 10 1 1 A 30 30 ASN CA C 64 52.940 54.495 -1.555 1
1 290 . 10 1 1 A 30 30 ASN CB C 64 36.300 36.984 -0.684 1
1 291 . 10 1 1 A 30 30 ASN N N 64 129.729 120.727 9.002 1
1 293 . 10 1 1 A 31 31 GLY H H 65 8.867 8.659 0.208 1
1 294 . 10 1 1 A 31 31 GLY HA2 H 65 3.760 3.944 -0.184 1
1 295 . 10 1 1 A 31 31 GLY HA3 H 65 4.260 4.005 0.255 1
1 296 . 10 1 1 A 31 31 GLY CA C 65 44.260 45.608 -1.348 1
1 297 . 10 1 1 A 31 31 GLY N N 65 130.590 104.804 25.786 1
1 298 . 10 1 1 A 32 32 LYS H H 66 7.501 7.797 -0.296 1
1 299 . 10 1 1 A 32 32 LYS HA H 66 5.410 5.404 0.006 1
1 308 . 10 1 1 A 32 32 LYS CA C 66 53.780 54.363 -0.583 1
1 309 . 10 1 1 A 32 32 LYS CB C 66 36.540 36.367 0.173 1
1 313 . 10 1 1 A 32 32 LYS N N 66 118.738 119.671 -0.933 1
1 314 . 10 1 1 A 33 33 ILE H H 67 9.216 8.463 0.753 1
1 315 . 10 1 1 A 33 33 ILE HA H 67 5.008 4.681 0.327 1
1 325 . 10 1 1 A 33 33 ILE CA C 67 57.470 59.539 -2.069 1
1 326 . 10 1 1 A 33 33 ILE CB C 67 39.700 39.578 0.122 1
1 330 . 10 1 1 A 33 33 ILE N N 67 118.166 118.992 -0.826 1
1 331 . 10 1 1 A 34 34 THR H H 68 8.255 8.129 0.126 1
1 332 . 10 1 1 A 34 34 THR HA H 68 4.548 4.656 -0.108 1
1 338 . 10 1 1 A 34 34 THR CA C 68 58.970 60.318 -1.348 1
1 339 . 10 1 1 A 34 34 THR CB C 68 69.762 71.050 -1.288 1
1 341 . 10 1 1 A 34 34 THR N N 68 111.971 113.352 -1.381 1
1 342 . 10 1 1 A 35 35 GLY H H 69 8.940 8.941 -0.001 1
1 343 . 10 1 1 A 35 35 GLY HA2 H 69 3.630 3.788 -0.158 1
1 344 . 10 1 1 A 35 35 GLY HA3 H 69 3.900 4.037 -0.137 1
1 345 . 10 1 1 A 35 35 GLY CA C 69 46.900 47.057 -0.157 1
1 346 . 10 1 1 A 35 35 GLY N N 69 110.161 109.362 0.799 1
1 347 . 10 1 1 A 36 36 ALA H H 70 8.265 8.051 0.214 1
1 348 . 10 1 1 A 36 36 ALA HA H 70 3.870 3.985 -0.115 1
1 352 . 10 1 1 A 36 36 ALA CA C 70 53.700 54.900 -1.200 1
1 353 . 10 1 1 A 36 36 ALA CB C 70 17.080 18.311 -1.231 1
1 354 . 10 1 1 A 36 36 ALA N N 70 123.384 124.664 -1.280 1
1 355 . 10 1 1 A 37 37 ASN H H 71 7.574 8.277 -0.703 1
1 356 . 10 1 1 A 37 37 ASN HA H 71 4.690 4.552 0.138 1
1 361 . 10 1 1 A 37 37 ASN CA C 71 54.000 55.437 -1.437 1
1 362 . 10 1 1 A 37 37 ASN CB C 71 36.300 37.863 -1.563 1
1 363 . 10 1 1 A 37 37 ASN N N 71 118.852 116.933 1.919 1
1 365 . 10 1 1 A 38 38 ALA H H 72 8.853 7.723 1.130 1
1 366 . 10 1 1 A 38 38 ALA HA H 72 4.108 4.237 -0.129 1
1 370 . 10 1 1 A 38 38 ALA CA C 72 54.450 55.248 -0.798 1
1 371 . 10 1 1 A 38 38 ALA CB C 72 17.970 18.485 -0.515 1
1 372 . 10 1 1 A 38 38 ALA N N 72 123.903 122.656 1.247 1
1 373 . 10 1 1 A 39 39 LYS H H 73 8.837 7.970 0.867 1
1 374 . 10 1 1 A 39 39 LYS HA H 73 3.970 3.998 -0.028 1
1 383 . 10 1 1 A 39 39 LYS CA C 73 59.130 59.515 -0.385 1
1 384 . 10 1 1 A 39 39 LYS CB C 73 30.880 32.226 -1.346 1
1 388 . 10 1 1 A 39 39 LYS N N 73 120.578 118.157 2.421 1
1 389 . 10 1 1 A 40 40 LYS H H 74 7.209 7.812 -0.603 1
1 390 . 10 1 1 A 40 40 LYS HA H 74 3.988 3.932 0.056 1
1 399 . 10 1 1 A 40 40 LYS CA C 74 58.130 60.179 -2.049 1
1 400 . 10 1 1 A 40 40 LYS CB C 74 30.900 32.201 -1.301 1
1 404 . 10 1 1 A 40 40 LYS N N 74 117.823 118.169 -0.346 1
1 405 . 10 1 1 A 41 41 GLU H H 75 7.089 8.120 -1.031 1
1 406 . 10 1 1 A 41 41 GLU HA H 75 4.450 4.122 0.328 1
1 411 . 10 1 1 A 41 41 GLU CA C 75 56.160 59.664 -3.504 1
1 412 . 10 1 1 A 41 41 GLU CB C 75 28.900 29.174 -0.274 1
1 414 . 10 1 1 A 41 41 GLU N N 75 117.306 119.854 -2.548 1
1 415 . 10 1 1 A 42 42 MET H H 76 8.854 8.090 0.764 1
1 416 . 10 1 1 A 42 42 MET HA H 76 4.010 4.158 -0.148 1
1 424 . 10 1 1 A 42 42 MET CA C 76 58.600 58.949 -0.349 1
1 425 . 10 1 1 A 42 42 MET CB C 76 33.770 32.671 1.099 1
1 428 . 10 1 1 A 42 42 MET N N 76 121.769 118.902 2.867 1
1 429 . 10 1 1 A 43 43 VAL H H 77 8.799 7.729 1.070 1
1 430 . 10 1 1 A 43 43 VAL HA H 77 4.110 3.869 0.241 1
1 438 . 10 1 1 A 43 43 VAL CA C 77 63.490 65.649 -2.159 1
1 439 . 10 1 1 A 43 43 VAL CB C 77 30.470 31.432 -0.962 1
1 442 . 10 1 1 A 43 43 VAL N N 77 116.182 115.000 1.182 1
1 443 . 10 1 1 A 44 44 LYS H H 78 7.498 8.036 -0.538 1
1 444 . 10 1 1 A 44 44 LYS HA H 78 4.130 4.156 -0.026 1
1 453 . 10 1 1 A 44 44 LYS CA C 78 57.670 58.421 -0.751 1
1 454 . 10 1 1 A 44 44 LYS CB C 78 30.990 31.877 -0.887 1
1 458 . 10 1 1 A 44 44 LYS N N 78 124.581 121.100 3.481 1
1 459 . 10 1 1 A 45 45 SER H H 79 7.508 7.467 0.041 1
1 460 . 10 1 1 A 45 45 SER HA H 79 4.068 4.484 -0.416 1
1 463 . 10 1 1 A 45 45 SER CA C 79 59.440 58.839 0.601 1
1 464 . 10 1 1 A 45 45 SER CB C 79 64.580 63.542 1.038 1
1 465 . 10 1 1 A 45 45 SER N N 79 114.450 116.093 -1.643 1
1 466 . 10 1 1 A 46 46 LYS H H 80 7.802 7.610 0.192 1
1 467 . 10 1 1 A 46 46 LYS HA H 80 3.920 3.782 0.138 1
1 476 . 10 1 1 A 46 46 LYS CA C 80 56.810 57.276 -0.466 1
1 477 . 10 1 1 A 46 46 LYS CB C 80 27.840 29.330 -1.490 1
1 481 . 10 1 1 A 46 46 LYS N N 80 114.720 118.292 -3.572 1
1 482 . 10 1 1 A 47 47 LEU H H 81 7.468 7.224 0.244 1
1 483 . 10 1 1 A 47 47 LEU HA H 81 4.480 4.794 -0.314 1
1 493 . 10 1 1 A 47 47 LEU CA C 81 52.000 51.306 0.694 1
1 494 . 10 1 1 A 47 47 LEU CB C 81 40.400 43.660 -3.260 1
1 498 . 10 1 1 A 47 47 LEU N N 81 122.848 119.400 3.448 1
1 499 . 10 1 1 A 48 48 PRO HA H 82 4.510 4.567 -0.057 1
1 506 . 10 1 1 A 48 48 PRO CA C 82 60.910 62.864 -1.954 1
1 507 . 10 1 1 A 48 48 PRO CB C 82 31.550 32.754 -1.204 1
1 510 . 10 1 1 A 49 49 ASN H H 83 7.580 8.654 -1.074 1
1 511 . 10 1 1 A 49 49 ASN HA H 83 4.220 4.381 -0.161 1
1 516 . 10 1 1 A 49 49 ASN CA C 83 56.000 56.214 -0.214 1
1 517 . 10 1 1 A 49 49 ASN CB C 83 36.900 38.273 -1.373 1
1 519 . 10 1 1 A 50 50 THR H H 84 7.270 8.085 -0.815 1
1 520 . 10 1 1 A 50 50 THR HA H 84 4.000 3.988 0.012 1
1 525 . 10 1 1 A 50 50 THR CA C 84 63.474 67.114 -3.640 1
1 526 . 10 1 1 A 50 50 THR CB C 84 66.950 68.405 -1.455 1
1 528 . 10 1 1 A 51 51 VAL H H 85 6.827 8.197 -1.370 1
1 529 . 10 1 1 A 51 51 VAL HA H 85 3.620 3.683 -0.063 1
1 537 . 10 1 1 A 51 51 VAL CA C 85 64.100 67.439 -3.339 1
1 538 . 10 1 1 A 51 51 VAL CB C 85 30.500 31.681 -1.181 1
1 541 . 10 1 1 A 51 51 VAL N N 85 124.677 122.259 2.418 1
1 542 . 10 1 1 A 52 52 LEU H H 86 7.912 8.531 -0.619 1
1 543 . 10 1 1 A 52 52 LEU HA H 86 3.560 4.047 -0.487 1
1 553 . 10 1 1 A 52 52 LEU CA C 86 56.600 58.171 -1.571 1
1 554 . 10 1 1 A 52 52 LEU CB C 86 38.090 41.639 -3.549 1
1 558 . 10 1 1 A 52 52 LEU N N 86 121.680 119.888 1.792 1
1 559 . 10 1 1 A 53 53 GLY H H 87 8.429 8.685 -0.256 1
1 560 . 10 1 1 A 53 53 GLY HA2 H 87 3.940 3.825 0.115 1
1 561 . 10 1 1 A 53 53 GLY HA3 H 87 4.130 3.855 0.275 1
1 562 . 10 1 1 A 53 53 GLY CA C 87 46.200 47.172 -0.972 1
1 563 . 10 1 1 A 53 53 GLY N N 87 107.113 106.955 0.158 1
1 564 . 10 1 1 A 54 54 LYS H H 88 7.260 7.902 -0.642 1
1 565 . 10 1 1 A 54 54 LYS HA H 88 4.150 4.010 0.140 1
1 574 . 10 1 1 A 54 54 LYS CA C 88 57.890 59.466 -1.576 1
1 575 . 10 1 1 A 54 54 LYS CB C 88 31.000 32.390 -1.390 1
1 579 . 10 1 1 A 54 54 LYS N N 88 124.980 121.773 3.207 1
1 580 . 10 1 1 A 55 55 ILE H H 89 8.019 8.298 -0.279 1
1 581 . 10 1 1 A 55 55 ILE HA H 89 3.476 3.613 -0.137 1
1 591 . 10 1 1 A 55 55 ILE CA C 89 65.360 65.586 -0.226 1
1 592 . 10 1 1 A 55 55 ILE CB C 89 36.300 37.796 -1.496 1
1 596 . 10 1 1 A 55 55 ILE N N 89 122.812 119.729 3.083 1
1 597 . 10 1 1 A 56 56 TRP H H 90 8.911 8.813 0.098 1
1 598 . 10 1 1 A 56 56 TRP HA H 90 3.810 4.215 -0.405 1
1 607 . 10 1 1 A 56 56 TRP CA C 90 60.260 60.545 -0.285 1
1 608 . 10 1 1 A 56 56 TRP CB C 90 27.000 29.935 -2.935 1
1 614 . 10 1 1 A 56 56 TRP N N 90 121.947 121.688 0.259 1
1 616 . 10 1 1 A 57 57 LYS H H 91 7.577 8.313 -0.736 1
1 617 . 10 1 1 A 57 57 LYS HA H 91 4.010 4.139 -0.129 1
1 626 . 10 1 1 A 57 57 LYS CA C 91 57.890 58.871 -0.981 1
1 627 . 10 1 1 A 57 57 LYS CB C 91 31.300 32.165 -0.865 1
1 631 . 10 1 1 A 57 57 LYS N N 91 117.344 119.916 -2.572 1
1 632 . 10 1 1 A 58 58 LEU H H 92 7.571 7.643 -0.072 1
1 633 . 10 1 1 A 58 58 LEU HA H 92 3.995 4.142 -0.147 1
1 643 . 10 1 1 A 58 58 LEU CA C 92 55.780 56.895 -1.115 1
1 644 . 10 1 1 A 58 58 LEU CB C 92 42.270 42.072 0.198 1
1 648 . 10 1 1 A 58 58 LEU N N 92 119.520 118.684 0.836 1
1 649 . 10 1 1 A 59 59 ALA H H 93 8.135 7.983 0.152 1
1 650 . 10 1 1 A 59 59 ALA HA H 93 4.150 4.132 0.018 1
1 654 . 10 1 1 A 59 59 ALA CA C 93 52.400 54.957 -2.557 1
1 655 . 10 1 1 A 59 59 ALA CB C 93 17.700 18.235 -0.535 1
1 656 . 10 1 1 A 59 59 ALA N N 93 120.351 121.952 -1.601 1
1 657 . 10 1 1 A 60 60 ASP H H 94 7.733 7.554 0.179 1
1 658 . 10 1 1 A 60 60 ASP HA H 94 4.560 4.392 0.168 1
1 661 . 10 1 1 A 60 60 ASP CA C 94 50.550 54.038 -3.488 1
1 662 . 10 1 1 A 60 60 ASP CB C 94 35.220 40.596 -5.376 1
1 663 . 10 1 1 A 60 60 ASP N N 94 115.750 117.022 -1.272 1
1 664 . 10 1 1 A 61 61 VAL H H 95 8.358 8.346 0.012 1
1 665 . 10 1 1 A 61 61 VAL HA H 95 3.500 3.658 -0.158 1
1 673 . 10 1 1 A 61 61 VAL CA C 95 64.360 66.428 -2.068 1
1 674 . 10 1 1 A 61 61 VAL CB C 95 31.330 31.798 -0.468 1
1 677 . 10 1 1 A 61 61 VAL N N 95 129.465 124.645 4.820 1
1 678 . 10 1 1 A 62 62 ASP H H 96 7.910 7.739 0.171 1
1 679 . 10 1 1 A 62 62 ASP HA H 96 4.530 4.563 -0.033 1
1 682 . 10 1 1 A 62 62 ASP CA C 96 51.630 53.830 -2.200 1
1 683 . 10 1 1 A 62 62 ASP CB C 96 38.300 40.903 -2.603 1
1 684 . 10 1 1 A 62 62 ASP N N 96 115.789 116.970 -1.181 1
1 685 . 10 1 1 A 63 63 LYS H H 97 7.590 7.470 0.120 1
1 686 . 10 1 1 A 63 63 LYS HA H 97 3.850 4.587 -0.737 1
1 695 . 10 1 1 A 63 63 LYS CA C 97 56.450 57.095 -0.645 1
1 696 . 10 1 1 A 63 63 LYS CB C 97 28.000 30.059 -2.059 1
1 700 . 10 1 1 A 63 63 LYS N N 97 115.885 115.503 0.382 1
1 701 . 10 1 1 A 64 64 ASP H H 98 8.379 8.012 0.367 1
1 702 . 10 1 1 A 64 64 ASP HA H 98 4.707 4.721 -0.014 1
1 705 . 10 1 1 A 64 64 ASP CA C 98 52.060 52.908 -0.848 1
1 706 . 10 1 1 A 64 64 ASP CB C 98 39.500 40.785 -1.285 1
1 707 . 10 1 1 A 64 64 ASP N N 98 119.948 118.836 1.112 1
1 708 . 10 1 1 A 65 65 GLY H H 99 10.740 8.519 2.221 1
1 709 . 10 1 1 A 65 65 GLY HA2 H 99 3.990 4.001 -0.011 1
1 710 . 10 1 1 A 65 65 GLY HA3 H 99 4.360 4.159 0.201 1
1 711 . 10 1 1 A 65 65 GLY CA C 99 45.160 45.811 -0.651 1
1 712 . 10 1 1 A 65 65 GLY N N 99 115.529 111.194 4.335 1
1 713 . 10 1 1 A 66 66 LEU H H 100 8.197 7.918 0.279 1
1 714 . 10 1 1 A 66 66 LEU HA H 100 5.180 5.047 0.133 1
1 724 . 10 1 1 A 66 66 LEU CA C 100 52.200 53.061 -0.861 1
1 725 . 10 1 1 A 66 66 LEU CB C 100 44.290 45.209 -0.919 1
1 729 . 10 1 1 A 66 66 LEU N N 100 123.347 122.115 1.232 1
1 730 . 10 1 1 A 67 67 LEU H H 101 8.697 9.270 -0.573 1
1 731 . 10 1 1 A 67 67 LEU HA H 101 5.796 4.934 0.862 1
1 741 . 10 1 1 A 67 67 LEU CA C 101 51.600 53.730 -2.130 1
1 742 . 10 1 1 A 67 67 LEU CB C 101 42.100 42.899 -0.799 1
1 746 . 10 1 1 A 67 67 LEU N N 101 121.209 123.287 -2.078 1
1 747 . 10 1 1 A 68 68 ASP H H 102 9.241 8.431 0.810 1
1 748 . 10 1 1 A 68 68 ASP HA H 102 5.620 4.746 0.874 1
1 751 . 10 1 1 A 68 68 ASP CA C 102 50.980 53.629 -2.649 1
1 752 . 10 1 1 A 68 68 ASP CB C 102 39.750 41.813 -2.063 1
1 753 . 10 1 1 A 68 68 ASP N N 102 124.386 125.550 -1.164 1
1 754 . 10 1 1 A 69 69 ASP H H 103 8.523 8.971 -0.448 1
1 755 . 10 1 1 A 69 69 ASP HA H 103 2.830 3.396 -0.566 1
1 758 . 10 1 1 A 69 69 ASP CA C 103 56.160 56.619 -0.459 1
1 759 . 10 1 1 A 69 69 ASP CB C 103 37.160 39.451 -2.291 1
1 760 . 10 1 1 A 69 69 ASP N N 103 117.349 123.852 -6.503 1
1 761 . 10 1 1 A 70 70 GLU H H 104 8.003 7.705 0.298 1
1 762 . 10 1 1 A 70 70 GLU HA H 104 4.075 4.269 -0.194 1
1 767 . 10 1 1 A 70 70 GLU CA C 104 58.950 59.353 -0.403 1
1 768 . 10 1 1 A 70 70 GLU CB C 104 29.134 29.172 -0.038 1
1 770 . 10 1 1 A 70 70 GLU N N 104 124.806 120.178 4.628 1
1 771 . 10 1 1 A 71 71 GLU H H 105 8.758 8.102 0.656 1
1 772 . 10 1 1 A 71 71 GLU HA H 105 4.030 4.107 -0.077 1
1 777 . 10 1 1 A 71 71 GLU CA C 105 58.570 58.708 -0.138 1
1 778 . 10 1 1 A 71 71 GLU CB C 105 30.270 29.450 0.820 1
1 780 . 10 1 1 A 71 71 GLU N N 105 123.541 120.788 2.753 1
1 781 . 10 1 1 A 72 72 PHE H H 106 9.416 8.862 0.554 1
1 782 . 10 1 1 A 72 72 PHE HA H 106 4.230 4.089 0.141 1
1 790 . 10 1 1 A 72 72 PHE CA C 106 60.000 61.646 -1.646 1
1 791 . 10 1 1 A 72 72 PHE CB C 106 38.440 39.265 -0.825 1
1 797 . 10 1 1 A 72 72 PHE N N 106 120.706 122.482 -1.776 1
1 798 . 10 1 1 A 73 73 ALA H H 107 8.085 8.301 -0.216 1
1 799 . 10 1 1 A 73 73 ALA HA H 107 3.778 3.934 -0.156 1
1 803 . 10 1 1 A 73 73 ALA CA C 107 54.010 55.212 -1.202 1
1 804 . 10 1 1 A 73 73 ALA CB C 107 16.691 18.211 -1.520 1
1 805 . 10 1 1 A 73 73 ALA N N 107 126.845 121.152 5.693 1
1 806 . 10 1 1 A 74 74 LEU H H 108 8.443 8.083 0.360 1
1 807 . 10 1 1 A 74 74 LEU HA H 108 4.048 4.053 -0.005 1
1 817 . 10 1 1 A 74 74 LEU CA C 108 56.811 57.407 -0.596 1
1 818 . 10 1 1 A 74 74 LEU CB C 108 41.090 41.641 -0.551 1
1 822 . 10 1 1 A 74 74 LEU N N 108 121.249 120.567 0.682 1
1 823 . 10 1 1 A 75 75 ALA H H 109 8.677 8.291 0.386 1
1 824 . 10 1 1 A 75 75 ALA HA H 109 3.648 3.964 -0.316 1
1 828 . 10 1 1 A 75 75 ALA CA C 109 54.220 55.492 -1.272 1
1 829 . 10 1 1 A 75 75 ALA CB C 109 15.367 18.219 -2.852 1
1 830 . 10 1 1 A 75 75 ALA N N 109 122.981 121.047 1.934 1
1 831 . 10 1 1 A 76 76 ASN H H 110 7.270 7.865 -0.595 1
1 832 . 10 1 1 A 76 76 ASN HA H 110 3.800 4.168 -0.368 1
1 837 . 10 1 1 A 76 76 ASN CA C 110 55.500 55.689 -0.189 1
1 838 . 10 1 1 A 76 76 ASN CB C 110 36.610 37.068 -0.458 1
1 839 . 10 1 1 A 76 76 ASN N N 110 115.791 115.914 -0.123 1
1 841 . 10 1 1 A 77 77 HIS H H 111 8.363 7.926 0.437 1
1 842 . 10 1 1 A 77 77 HIS HA H 111 4.092 4.237 -0.145 1
1 847 . 10 1 1 A 77 77 HIS CA C 111 59.180 59.664 -0.484 1
1 848 . 10 1 1 A 77 77 HIS CB C 111 30.420 29.936 0.484 1
1 851 . 10 1 1 A 77 77 HIS N N 111 124.686 120.784 3.902 1
1 852 . 10 1 1 A 78 78 LEU H H 112 8.278 8.446 -0.168 1
1 853 . 10 1 1 A 78 78 LEU HA H 112 3.820 3.788 0.032 1
1 863 . 10 1 1 A 78 78 LEU CA C 112 56.115 57.995 -1.880 1
1 864 . 10 1 1 A 78 78 LEU CB C 112 41.000 41.651 -0.651 1
1 868 . 10 1 1 A 78 78 LEU N N 112 119.085 119.633 -0.548 1
1 869 . 10 1 1 A 79 79 ILE H H 113 7.799 8.247 -0.448 1
1 870 . 10 1 1 A 79 79 ILE HA H 113 3.270 3.445 -0.175 1
1 880 . 10 1 1 A 79 79 ILE CA C 113 65.020 65.748 -0.728 1
1 881 . 10 1 1 A 79 79 ILE CB C 113 36.730 37.786 -1.056 1
1 885 . 10 1 1 A 79 79 ILE N N 113 121.304 119.955 1.349 1
1 886 . 10 1 1 A 80 80 LYS H H 114 7.546 8.305 -0.759 1
1 887 . 10 1 1 A 80 80 LYS HA H 114 3.820 3.946 -0.126 1
1 896 . 10 1 1 A 80 80 LYS CA C 114 58.970 59.734 -0.764 1
1 897 . 10 1 1 A 80 80 LYS CB C 114 30.470 32.196 -1.726 1
1 901 . 10 1 1 A 80 80 LYS N N 114 122.150 120.900 1.250 1
1 902 . 10 1 1 A 81 81 VAL H H 115 8.110 7.705 0.405 1
1 903 . 10 1 1 A 81 81 VAL HA H 115 3.736 4.091 -0.355 1
1 911 . 10 1 1 A 81 81 VAL CA C 115 64.500 65.744 -1.244 1
1 912 . 10 1 1 A 81 81 VAL CB C 115 30.050 31.422 -1.372 1
1 915 . 10 1 1 A 81 81 VAL N N 115 118.999 118.400 0.599 1
1 916 . 10 1 1 A 82 82 LYS H H 116 7.853 7.654 0.199 1
1 917 . 10 1 1 A 82 82 LYS HA H 116 4.520 4.250 0.270 1
1 926 . 10 1 1 A 82 82 LYS CA C 116 56.000 59.991 -3.991 1
1 927 . 10 1 1 A 82 82 LYS CB C 116 30.340 32.412 -2.072 1
1 931 . 10 1 1 A 82 82 LYS N N 116 123.030 121.933 1.097 1
1 932 . 10 1 1 A 83 83 LEU H H 117 8.959 8.141 0.818 1
1 933 . 10 1 1 A 83 83 LEU HA H 117 4.080 4.030 0.050 1
1 943 . 10 1 1 A 83 83 LEU CA C 117 56.620 57.407 -0.787 1
1 944 . 10 1 1 A 83 83 LEU CB C 117 40.361 41.110 -0.749 1
1 948 . 10 1 1 A 83 83 LEU N N 117 125.378 119.792 5.586 1
1 949 . 10 1 1 A 84 84 GLU H H 118 7.817 8.001 -0.184 1
1 950 . 10 1 1 A 84 84 GLU HA H 118 4.156 4.354 -0.198 1
1 955 . 10 1 1 A 84 84 GLU CA C 118 55.100 56.421 -1.321 1
1 956 . 10 1 1 A 84 84 GLU CB C 118 28.600 29.959 -1.359 1
1 958 . 10 1 1 A 84 84 GLU N N 118 119.766 116.629 3.137 1
1 959 . 10 1 1 A 85 85 GLY H H 119 7.862 7.843 0.019 1
1 960 . 10 1 1 A 85 85 GLY HA2 H 119 3.640 3.674 -0.034 1
1 961 . 10 1 1 A 85 85 GLY HA3 H 119 4.140 3.769 0.371 1
1 962 . 10 1 1 A 85 85 GLY CA C 119 43.690 45.823 -2.133 1
1 963 . 10 1 1 A 85 85 GLY N N 119 107.933 108.196 -0.263 1
1 964 . 10 1 1 A 86 86 HIS H H 120 7.714 7.988 -0.274 1
1 965 . 10 1 1 A 86 86 HIS HA H 120 4.670 4.931 -0.261 1
1 970 . 10 1 1 A 86 86 HIS CA C 120 53.780 55.643 -1.863 1
1 971 . 10 1 1 A 86 86 HIS CB C 120 29.390 34.407 -5.017 1
1 973 . 10 1 1 A 86 86 HIS N N 120 122.124 117.347 4.777 1
1 974 . 10 1 1 A 87 87 GLU H H 121 8.491 8.797 -0.306 1
1 975 . 10 1 1 A 87 87 GLU HA H 121 4.300 4.925 -0.625 1
1 980 . 10 1 1 A 87 87 GLU CA C 121 54.000 54.712 -0.712 1
1 981 . 10 1 1 A 87 87 GLU CB C 121 29.120 33.451 -4.331 1
1 983 . 10 1 1 A 87 87 GLU N N 121 121.826 119.716 2.110 1
1 984 . 10 1 1 A 88 88 LEU H H 122 8.659 8.904 -0.245 1
1 985 . 10 1 1 A 88 88 LEU HA H 122 4.417 4.931 -0.514 1
1 995 . 10 1 1 A 88 88 LEU CA C 122 50.777 52.480 -1.703 1
1 996 . 10 1 1 A 88 88 LEU CB C 122 39.986 42.520 -2.534 1
1 1000 . 10 1 1 A 88 88 LEU N N 122 125.316 122.534 2.782 1
1 1001 . 10 1 1 A 89 89 PRO HA H 123 4.570 4.366 0.204 1
1 1008 . 10 1 1 A 89 89 PRO CA C 123 60.690 64.340 -3.650 1
1 1009 . 10 1 1 A 89 89 PRO CB C 123 30.320 31.829 -1.509 1
1 1012 . 10 1 1 A 90 90 ALA H H 124 8.464 7.985 0.479 1
1 1013 . 10 1 1 A 90 90 ALA HA H 124 4.068 3.992 0.076 1
1 1017 . 10 1 1 A 90 90 ALA CA C 124 52.700 53.621 -0.921 1
1 1018 . 10 1 1 A 90 90 ALA CB C 124 17.760 17.881 -0.121 1
1 1019 . 10 1 1 A 90 90 ALA N N 124 123.603 120.627 2.976 1
1 1020 . 10 1 1 A 91 91 ASP H H 125 7.482 7.615 -0.133 1
1 1021 . 10 1 1 A 91 91 ASP HA H 125 4.630 5.268 -0.638 1
1 1024 . 10 1 1 A 91 91 ASP CA C 125 50.340 52.674 -2.334 1
1 1025 . 10 1 1 A 91 91 ASP CB C 125 42.620 45.455 -2.835 1
1 1026 . 10 1 1 A 91 91 ASP N N 125 115.317 116.164 -0.847 1
1 1027 . 10 1 1 A 92 92 LEU H H 126 8.883 9.019 -0.136 1
1 1028 . 10 1 1 A 92 92 LEU HA H 126 4.196 4.914 -0.718 1
1 1038 . 10 1 1 A 92 92 LEU CA C 126 51.930 51.574 0.356 1
1 1039 . 10 1 1 A 92 92 LEU CB C 126 41.032 42.861 -1.829 1
1 1043 . 10 1 1 A 92 92 LEU N N 126 125.329 121.569 3.760 1
1 1044 . 10 1 1 A 93 93 PRO HA H 127 4.860 4.675 0.185 1
1 1051 . 10 1 1 A 93 93 PRO CA C 127 59.820 61.600 -1.780 1
1 1052 . 10 1 1 A 93 93 PRO CB C 127 29.800 32.111 -2.311 1
1 1055 . 10 1 1 A 94 94 PRO HA H 128 4.220 4.165 0.055 1
1 1062 . 10 1 1 A 94 94 PRO CA C 128 64.560 65.238 -0.678 1
1 1063 . 10 1 1 A 94 94 PRO CB C 128 30.900 31.668 -0.768 1
1 1066 . 10 1 1 A 95 95 HIS H H 129 7.922 8.194 -0.272 1
1 1067 . 10 1 1 A 95 95 HIS HA H 129 4.650 4.558 0.092 1
1 1072 . 10 1 1 A 95 95 HIS CA C 129 56.810 56.410 0.400 1
1 1073 . 10 1 1 A 95 95 HIS CB C 129 28.100 29.672 -1.572 1
1 1076 . 10 1 1 A 95 95 HIS N N 129 112.757 114.691 -1.934 1
1 1077 . 10 1 1 A 96 96 LEU H H 130 7.717 7.577 0.140 1
1 1078 . 10 1 1 A 96 96 LEU HA H 130 4.646 4.306 0.340 1
1 1088 . 10 1 1 A 96 96 LEU CA C 130 52.920 55.073 -2.153 1
1 1089 . 10 1 1 A 96 96 LEU CB C 130 42.210 42.545 -0.335 1
1 1093 . 10 1 1 A 96 96 LEU N N 130 121.128 119.362 1.766 1
1 1094 . 10 1 1 A 97 97 VAL H H 131 7.173 7.392 -0.219 1
1 1095 . 10 1 1 A 97 97 VAL HA H 131 3.720 4.093 -0.373 1
1 1103 . 10 1 1 A 97 97 VAL CA C 131 60.520 61.002 -0.482 1
1 1104 . 10 1 1 A 97 97 VAL CB C 131 31.310 32.221 -0.911 1
1 1107 . 10 1 1 A 97 97 VAL N N 131 125.460 120.840 4.620 1
1 1108 . 10 1 1 A 98 98 PRO HA H 132 2.720 2.958 -0.238 1
1 1115 . 10 1 1 A 98 98 PRO CA C 132 59.400 61.248 -1.848 1
1 1116 . 10 1 1 A 98 98 PRO CB C 132 30.250 32.163 -1.913 1
1 1119 . 10 1 1 A 99 99 PRO HA H 133 3.610 3.957 -0.347 1
1 1126 . 10 1 1 A 99 99 PRO CA C 133 64.760 64.763 -0.003 1
1 1127 . 10 1 1 A 99 99 PRO CB C 133 30.770 31.697 -0.927 1
1 1130 . 10 1 1 A 100 100 SER H H 134 9.222 8.114 1.108 1
1 1131 . 10 1 1 A 100 100 SER HA H 134 4.140 4.229 -0.089 1
1 1134 . 10 1 1 A 100 100 SER CA C 134 59.660 60.061 -0.401 1
1 1135 . 10 1 1 A 100 100 SER CB C 134 61.320 63.389 -2.069 1
1 1136 . 10 1 1 A 100 100 SER N N 134 115.005 112.224 2.781 1
1 1137 . 10 1 1 A 101 101 LYS H H 135 7.867 7.572 0.295 1
1 1138 . 10 1 1 A 101 101 LYS HA H 135 4.470 4.387 0.083 1
1 1147 . 10 1 1 A 101 101 LYS CA C 135 52.490 55.403 -2.913 1
1 1148 . 10 1 1 A 101 101 LYS CB C 135 30.600 32.524 -1.924 1
1 1152 . 10 1 1 A 101 101 LYS N N 135 121.053 114.809 6.244 1
1 1153 . 10 1 1 A 102 102 ARG H H 136 7.077 7.309 -0.232 1
1 1154 . 10 1 1 A 102 102 ARG HA H 136 4.110 4.377 -0.267 1
1 1165 . 10 1 1 A 102 102 ARG CA C 136 55.440 55.889 -0.449 1
1 1166 . 10 1 1 A 102 102 ARG CB C 136 29.100 30.870 -1.770 1
1 1169 . 10 1 1 A 102 102 ARG N N 136 121.944 119.211 2.733 1
1 1170 . 10 1 1 A 103 103 ARG H H 137 8.289 8.669 -0.380 1
1 1171 . 10 1 1 A 103 103 ARG HA H 137 4.274 4.668 -0.394 1
1 1182 . 10 1 1 A 103 103 ARG CA C 137 54.100 55.439 -1.339 1
1 1183 . 10 1 1 A 103 103 ARG CB C 137 29.700 31.604 -1.904 1
1 1186 . 10 1 1 A 103 103 ARG N N 137 123.504 123.648 -0.144 1
1 1187 . 10 1 1 A 104 104 HIS H H 138 8.370 8.820 -0.450 1
1 1188 . 10 1 1 A 104 104 HIS HA H 138 4.662 5.133 -0.471 1
1 1192 . 10 1 1 A 104 104 HIS CA C 138 54.110 54.886 -0.776 1
1 1193 . 10 1 1 A 104 104 HIS CB C 138 28.730 32.537 -3.807 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 98 1.766 1
3 1 1 1 "RMS(OBS, PRED)" CB 92 1.832 1
4 1 1 1 "RMS(OBS, PRED)" H 90 0.637 1
5 1 1 1 "RMS(OBS, PRED)" HA 105 0.337 1
6 1 1 1 "RMS(OBS, PRED)" N 85 3.884 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 98 1.630 1
9 1 2 1 "RMS(OBS, PRED)" CB 92 1.837 1
10 1 2 1 "RMS(OBS, PRED)" H 90 0.621 1
11 1 2 1 "RMS(OBS, PRED)" HA 105 0.333 1
12 1 2 1 "RMS(OBS, PRED)" N 85 3.603 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 98 1.693 1
15 1 3 1 "RMS(OBS, PRED)" CB 92 1.810 1
16 1 3 1 "RMS(OBS, PRED)" H 90 0.659 1
17 1 3 1 "RMS(OBS, PRED)" HA 105 0.339 1
18 1 3 1 "RMS(OBS, PRED)" N 85 3.857 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 98 1.723 1
21 1 4 1 "RMS(OBS, PRED)" CB 92 1.848 1
22 1 4 1 "RMS(OBS, PRED)" H 90 0.607 1
23 1 4 1 "RMS(OBS, PRED)" HA 105 0.330 1
24 1 4 1 "RMS(OBS, PRED)" N 85 3.922 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 98 1.810 1
27 1 5 1 "RMS(OBS, PRED)" CB 92 1.771 1
28 1 5 1 "RMS(OBS, PRED)" H 90 0.645 1
29 1 5 1 "RMS(OBS, PRED)" HA 105 0.335 1
30 1 5 1 "RMS(OBS, PRED)" N 85 3.827 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 98 1.603 1
33 1 6 1 "RMS(OBS, PRED)" CB 92 1.897 1
34 1 6 1 "RMS(OBS, PRED)" H 90 0.615 1
35 1 6 1 "RMS(OBS, PRED)" HA 105 0.347 1
36 1 6 1 "RMS(OBS, PRED)" N 85 3.907 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 98 1.638 1
39 1 7 1 "RMS(OBS, PRED)" CB 92 1.784 1
40 1 7 1 "RMS(OBS, PRED)" H 90 0.623 1
41 1 7 1 "RMS(OBS, PRED)" HA 105 0.332 1
42 1 7 1 "RMS(OBS, PRED)" N 85 4.251 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 98 1.716 1
45 1 8 1 "RMS(OBS, PRED)" CB 92 1.927 1
46 1 8 1 "RMS(OBS, PRED)" H 90 0.625 1
47 1 8 1 "RMS(OBS, PRED)" HA 105 0.354 1
48 1 8 1 "RMS(OBS, PRED)" N 85 4.062 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 98 1.686 1
51 1 9 1 "RMS(OBS, PRED)" CB 92 1.845 1
52 1 9 1 "RMS(OBS, PRED)" H 90 0.642 1
53 1 9 1 "RMS(OBS, PRED)" HA 105 0.347 1
54 1 9 1 "RMS(OBS, PRED)" N 85 4.044 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 98 1.719 1
57 1 10 1 "RMS(OBS, PRED)" CB 92 1.855 1
58 1 10 1 "RMS(OBS, PRED)" H 90 0.612 1
59 1 10 1 "RMS(OBS, PRED)" HA 105 0.314 1
60 1 10 1 "RMS(OBS, PRED)" N 85 4.222 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 6 6 ASP HA H 40 4.430 5.022 -0.592 2
1 2 . 1 1 A 7 7 ASP H H 41 8.479 8.874 -0.395 2
1 3 . 1 1 A 7 7 ASP HA H 41 4.640 5.100 -0.460 2
1 6 . 1 1 A 7 7 ASP CA C 41 52.900 52.981 -0.081 2
1 7 . 1 1 A 7 7 ASP CB C 41 39.760 42.261 -2.501 2
1 8 . 1 1 A 7 7 ASP N N 41 124.447 125.927 -1.480 2
1 9 . 1 1 A 8 8 VAL H H 42 7.916 8.694 -0.778 2
1 10 . 1 1 A 8 8 VAL HA H 42 4.142 4.518 -0.376 2
1 18 . 1 1 A 8 8 VAL CA C 42 60.460 61.316 -0.856 2
1 19 . 1 1 A 8 8 VAL CB C 42 31.579 33.230 -1.651 2
1 22 . 1 1 A 8 8 VAL N N 42 120.853 125.434 -4.581 2
1 23 . 1 1 A 9 9 GLU H H 43 8.476 8.794 -0.318 2
1 24 . 1 1 A 9 9 GLU HA H 43 4.290 4.837 -0.547 2
1 29 . 1 1 A 9 9 GLU CA C 43 55.300 55.502 -0.202 2
1 30 . 1 1 A 9 9 GLU CB C 43 29.120 30.859 -1.739 2
1 32 . 1 1 A 9 9 GLU N N 43 127.650 125.716 1.934 2
1 33 . 1 1 A 10 10 TRP H H 44 8.839 8.925 -0.086 2
1 34 . 1 1 A 10 10 TRP HA H 44 5.230 4.944 0.286 2
1 43 . 1 1 A 10 10 TRP CA C 44 54.430 55.978 -1.548 2
1 44 . 1 1 A 10 10 TRP CB C 44 27.230 29.821 -2.591 2
1 50 . 1 1 A 10 10 TRP N N 44 126.378 127.539 -1.161 2
1 51 . 1 1 A 11 11 VAL H H 45 9.230 8.273 0.957 2
1 52 . 1 1 A 11 11 VAL HA H 45 3.891 3.681 0.210 2
1 60 . 1 1 A 11 11 VAL CA C 45 63.500 65.299 -1.799 2
1 61 . 1 1 A 11 11 VAL CB C 45 30.420 31.438 -1.018 2
1 64 . 1 1 A 11 11 VAL N N 45 131.353 125.861 5.492 2
1 65 . 1 1 A 12 12 VAL H H 46 5.020 7.016 -1.996 2
1 66 . 1 1 A 12 12 VAL HA H 46 3.040 3.561 -0.521 2
1 74 . 1 1 A 12 12 VAL CA C 46 60.690 64.673 -3.983 2
1 75 . 1 1 A 12 12 VAL CB C 46 29.280 30.787 -1.507 2
1 78 . 1 1 A 13 13 GLY H H 47 7.330 8.163 -0.833 2
1 79 . 1 1 A 13 13 GLY HA2 H 47 3.590 3.898 -0.308 2
1 80 . 1 1 A 13 13 GLY HA3 H 47 4.180 3.976 0.204 2
1 81 . 1 1 A 13 13 GLY CA C 47 46.400 46.617 -0.217 2
1 82 . 1 1 A 14 14 LYS H H 48 7.570 7.857 -0.287 2
1 83 . 1 1 A 14 14 LYS HA H 48 4.066 4.157 -0.091 2
1 92 . 1 1 A 14 14 LYS CA C 48 57.337 58.445 -1.108 2
1 93 . 1 1 A 14 14 LYS CB C 48 30.490 32.688 -2.198 2
1 97 . 1 1 A 14 14 LYS N N 48 121.084 118.500 2.584 2
1 98 . 1 1 A 15 15 ASP H H 49 7.309 7.581 -0.272 2
1 99 . 1 1 A 15 15 ASP HA H 49 4.770 4.778 -0.008 2
1 102 . 1 1 A 15 15 ASP CA C 49 52.880 52.986 -0.106 2
1 103 . 1 1 A 15 15 ASP CB C 49 41.910 41.348 0.562 2
1 104 . 1 1 A 15 15 ASP N N 49 118.181 118.138 0.043 2
1 105 . 1 1 A 16 16 LYS H H 50 7.506 7.663 -0.158 2
1 106 . 1 1 A 16 16 LYS HA H 50 4.059 4.014 0.045 2
1 115 . 1 1 A 16 16 LYS CA C 50 60.180 61.209 -1.029 2
1 116 . 1 1 A 16 16 LYS CB C 50 30.193 31.189 -0.996 2
1 120 . 1 1 A 16 16 LYS N N 50 123.633 120.525 3.108 2
1 121 . 1 1 A 17 17 PRO HA H 51 4.430 4.352 0.078 2
1 128 . 1 1 A 17 17 PRO CA C 51 65.660 65.587 0.073 2
1 129 . 1 1 A 17 17 PRO CB C 51 29.600 31.010 -1.410 2
1 132 . 1 1 A 18 18 THR H H 52 7.285 7.551 -0.266 2
1 133 . 1 1 A 18 18 THR HA H 52 3.977 4.048 -0.071 2
1 138 . 1 1 A 18 18 THR CA C 52 64.330 65.211 -0.881 2
1 139 . 1 1 A 18 18 THR CB C 52 67.170 68.166 -0.996 2
1 141 . 1 1 A 18 18 THR N N 52 115.095 111.796 3.300 2
1 142 . 1 1 A 19 19 TYR H H 53 7.083 7.279 -0.196 2
1 143 . 1 1 A 19 19 TYR HA H 53 4.728 4.392 0.336 2
1 150 . 1 1 A 19 19 TYR CA C 53 57.110 62.024 -4.914 2
1 151 . 1 1 A 19 19 TYR CB C 53 35.130 37.171 -2.041 2
1 156 . 1 1 A 19 19 TYR N N 53 125.380 119.713 5.667 2
1 157 . 1 1 A 20 20 ASP H H 54 9.596 8.658 0.938 2
1 158 . 1 1 A 20 20 ASP HA H 54 4.512 4.534 -0.022 2
1 161 . 1 1 A 20 20 ASP CA C 54 55.515 57.762 -2.247 2
1 162 . 1 1 A 20 20 ASP CB C 54 38.740 41.289 -2.549 2
1 163 . 1 1 A 20 20 ASP N N 54 124.548 121.790 2.758 2
1 164 . 1 1 A 21 21 GLU H H 55 7.309 8.234 -0.925 2
1 165 . 1 1 A 21 21 GLU HA H 55 4.150 4.215 -0.065 2
1 170 . 1 1 A 21 21 GLU CA C 55 58.100 59.323 -1.223 2
1 171 . 1 1 A 21 21 GLU CB C 55 28.500 29.610 -1.110 2
1 173 . 1 1 A 21 21 GLU N N 55 118.181 119.334 -1.153 2
1 174 . 1 1 A 22 22 ILE H H 56 7.249 7.962 -0.713 2
1 175 . 1 1 A 22 22 ILE HA H 56 3.946 4.039 -0.093 2
1 185 . 1 1 A 22 22 ILE CA C 56 62.300 64.574 -2.274 2
1 186 . 1 1 A 22 22 ILE CB C 56 37.597 37.255 0.342 2
1 190 . 1 1 A 22 22 ILE N N 56 118.978 120.670 -1.692 2
1 191 . 1 1 A 23 23 PHE H H 57 9.117 8.458 0.659 2
1 192 . 1 1 A 23 23 PHE HA H 57 3.094 3.757 -0.663 2
1 200 . 1 1 A 23 23 PHE CA C 57 61.330 61.543 -0.213 2
1 201 . 1 1 A 23 23 PHE CB C 57 38.250 38.915 -0.665 2
1 207 . 1 1 A 23 23 PHE N N 57 127.639 122.175 5.464 2
1 208 . 1 1 A 24 24 TYR H H 58 7.922 8.229 -0.307 2
1 209 . 1 1 A 24 24 TYR HA H 58 4.000 4.306 -0.306 2
1 216 . 1 1 A 24 24 TYR CA C 58 60.480 60.985 -0.505 2
1 217 . 1 1 A 24 24 TYR CB C 58 36.086 38.143 -2.057 2
1 222 . 1 1 A 24 24 TYR N N 58 112.757 115.740 -2.983 2
1 223 . 1 1 A 25 25 THR H H 59 8.087 7.813 0.274 2
1 224 . 1 1 A 25 25 THR HA H 59 4.650 4.359 0.291 2
1 230 . 1 1 A 25 25 THR CA C 59 61.770 63.452 -1.682 2
1 231 . 1 1 A 25 25 THR CB C 59 68.900 69.199 -0.299 2
1 233 . 1 1 A 25 25 THR N N 59 112.676 112.627 0.049 2
1 234 . 1 1 A 26 26 LEU H H 60 7.381 7.103 0.278 2
1 235 . 1 1 A 26 26 LEU HA H 60 4.470 4.344 0.126 2
1 245 . 1 1 A 26 26 LEU CA C 60 52.500 54.082 -1.582 2
1 246 . 1 1 A 26 26 LEU CB C 60 38.700 41.969 -3.269 2
1 250 . 1 1 A 26 26 LEU N N 60 125.808 120.669 5.139 2
1 251 . 1 1 A 27 27 SER H H 61 7.870 7.745 0.125 2
1 252 . 1 1 A 27 27 SER HA H 61 3.980 4.083 -0.103 2
1 255 . 1 1 A 27 27 SER CA C 61 56.300 58.811 -2.511 2
1 256 . 1 1 A 27 27 SER CB C 61 60.230 61.656 -1.426 2
1 257 . 1 1 A 27 27 SER N N 61 111.582 113.730 -2.148 2
1 258 . 1 1 A 28 28 PRO HA H 62 4.200 4.692 -0.492 2
1 265 . 1 1 A 28 28 PRO CA C 62 61.600 62.049 -0.449 2
1 266 . 1 1 A 28 28 PRO CB C 62 29.890 31.530 -1.640 2
1 269 . 1 1 A 29 29 VAL H H 63 8.744 8.193 0.551 2
1 270 . 1 1 A 29 29 VAL HA H 63 4.180 4.292 -0.112 2
1 278 . 1 1 A 29 29 VAL CA C 63 60.660 60.786 -0.126 2
1 279 . 1 1 A 29 29 VAL CB C 63 32.878 33.116 -0.238 2
1 282 . 1 1 A 29 29 VAL N N 63 124.299 119.495 4.804 2
1 283 . 1 1 A 30 30 ASN H H 64 9.713 9.351 0.362 2
1 284 . 1 1 A 30 30 ASN HA H 64 4.420 4.483 -0.063 2
1 289 . 1 1 A 30 30 ASN CA C 64 52.940 54.304 -1.364 2
1 290 . 1 1 A 30 30 ASN CB C 64 36.300 36.709 -0.410 2
1 291 . 1 1 A 30 30 ASN N N 64 129.729 123.053 6.676 2
1 293 . 1 1 A 31 31 GLY H H 65 8.867 8.641 0.226 2
1 294 . 1 1 A 31 31 GLY HA2 H 65 3.760 3.931 -0.171 2
1 295 . 1 1 A 31 31 GLY HA3 H 65 4.260 3.960 0.300 2
1 296 . 1 1 A 31 31 GLY CA C 65 44.260 45.686 -1.426 2
1 297 . 1 1 A 31 31 GLY N N 65 130.590 106.366 24.224 2
1 298 . 1 1 A 32 32 LYS H H 66 7.501 7.878 -0.376 2
1 299 . 1 1 A 32 32 LYS HA H 66 5.410 5.290 0.120 2
1 308 . 1 1 A 32 32 LYS CA C 66 53.780 54.698 -0.918 2
1 309 . 1 1 A 32 32 LYS CB C 66 36.540 36.112 0.428 2
1 313 . 1 1 A 32 32 LYS N N 66 118.738 119.000 -0.262 2
1 314 . 1 1 A 33 33 ILE H H 67 9.216 8.775 0.441 2
1 315 . 1 1 A 33 33 ILE HA H 67 5.008 4.713 0.295 2
1 325 . 1 1 A 33 33 ILE CA C 67 57.470 59.415 -1.945 2
1 326 . 1 1 A 33 33 ILE CB C 67 39.700 40.160 -0.460 2
1 330 . 1 1 A 33 33 ILE N N 67 118.166 119.010 -0.844 2
1 331 . 1 1 A 34 34 THR H H 68 8.255 8.334 -0.079 2
1 332 . 1 1 A 34 34 THR HA H 68 4.548 4.692 -0.144 2
1 338 . 1 1 A 34 34 THR CA C 68 58.970 60.185 -1.215 2
1 339 . 1 1 A 34 34 THR CB C 68 69.762 71.261 -1.499 2
1 341 . 1 1 A 34 34 THR N N 68 111.971 113.677 -1.706 2
1 342 . 1 1 A 35 35 GLY H H 69 8.940 8.931 0.009 2
1 343 . 1 1 A 35 35 GLY HA2 H 69 3.630 3.743 -0.113 2
1 344 . 1 1 A 35 35 GLY HA3 H 69 3.900 3.983 -0.083 2
1 345 . 1 1 A 35 35 GLY CA C 69 46.900 47.180 -0.280 2
1 346 . 1 1 A 35 35 GLY N N 69 110.161 109.277 0.884 2
1 347 . 1 1 A 36 36 ALA H H 70 8.265 8.011 0.254 2
1 348 . 1 1 A 36 36 ALA HA H 70 3.870 3.989 -0.119 2
1 352 . 1 1 A 36 36 ALA CA C 70 53.700 54.820 -1.120 2
1 353 . 1 1 A 36 36 ALA CB C 70 17.080 18.462 -1.382 2
1 354 . 1 1 A 36 36 ALA N N 70 123.384 124.680 -1.296 2
1 355 . 1 1 A 37 37 ASN H H 71 7.574 8.037 -0.463 2
1 356 . 1 1 A 37 37 ASN HA H 71 4.690 4.544 0.146 2
1 361 . 1 1 A 37 37 ASN CA C 71 54.000 55.696 -1.696 2
1 362 . 1 1 A 37 37 ASN CB C 71 36.300 38.050 -1.750 2
1 363 . 1 1 A 37 37 ASN N N 71 118.852 117.040 1.812 2
1 365 . 1 1 A 38 38 ALA H H 72 8.853 7.736 1.117 2
1 366 . 1 1 A 38 38 ALA HA H 72 4.108 4.262 -0.154 2
1 370 . 1 1 A 38 38 ALA CA C 72 54.450 55.103 -0.653 2
1 371 . 1 1 A 38 38 ALA CB C 72 17.970 18.567 -0.597 2
1 372 . 1 1 A 38 38 ALA N N 72 123.903 122.613 1.290 2
1 373 . 1 1 A 39 39 LYS H H 73 8.837 7.991 0.846 2
1 374 . 1 1 A 39 39 LYS HA H 73 3.970 4.018 -0.048 2
1 383 . 1 1 A 39 39 LYS CA C 73 59.130 59.661 -0.531 2
1 384 . 1 1 A 39 39 LYS CB C 73 30.880 32.220 -1.340 2
1 388 . 1 1 A 39 39 LYS N N 73 120.578 118.347 2.231 2
1 389 . 1 1 A 40 40 LYS H H 74 7.209 8.063 -0.854 2
1 390 . 1 1 A 40 40 LYS HA H 74 3.988 4.024 -0.036 2
1 399 . 1 1 A 40 40 LYS CA C 74 58.130 59.533 -1.403 2
1 400 . 1 1 A 40 40 LYS CB C 74 30.900 32.123 -1.223 2
1 404 . 1 1 A 40 40 LYS N N 74 117.823 118.140 -0.317 2
1 405 . 1 1 A 41 41 GLU H H 75 7.089 8.087 -0.998 2
1 406 . 1 1 A 41 41 GLU HA H 75 4.450 4.124 0.326 2
1 411 . 1 1 A 41 41 GLU CA C 75 56.160 59.556 -3.397 2
1 412 . 1 1 A 41 41 GLU CB C 75 28.900 29.354 -0.454 2
1 414 . 1 1 A 41 41 GLU N N 75 117.306 119.620 -2.314 2
1 415 . 1 1 A 42 42 MET H H 76 8.854 8.284 0.570 2
1 416 . 1 1 A 42 42 MET HA H 76 4.010 4.319 -0.310 2
1 424 . 1 1 A 42 42 MET CA C 76 58.600 58.551 0.049 2
1 425 . 1 1 A 42 42 MET CB C 76 33.770 31.873 1.897 2
1 428 . 1 1 A 42 42 MET N N 76 121.769 118.732 3.037 2
1 429 . 1 1 A 43 43 VAL H H 77 8.799 7.898 0.901 2
1 430 . 1 1 A 43 43 VAL HA H 77 4.110 3.811 0.299 2
1 438 . 1 1 A 43 43 VAL CA C 77 63.490 66.027 -2.537 2
1 439 . 1 1 A 43 43 VAL CB C 77 30.470 31.517 -1.047 2
1 442 . 1 1 A 43 43 VAL N N 77 116.182 117.438 -1.256 2
1 443 . 1 1 A 44 44 LYS H H 78 7.498 8.050 -0.552 2
1 444 . 1 1 A 44 44 LYS HA H 78 4.130 4.226 -0.096 2
1 453 . 1 1 A 44 44 LYS CA C 78 57.670 58.184 -0.514 2
1 454 . 1 1 A 44 44 LYS CB C 78 30.990 32.258 -1.268 2
1 458 . 1 1 A 44 44 LYS N N 78 124.581 121.211 3.370 2
1 459 . 1 1 A 45 45 SER H H 79 7.508 7.441 0.067 2
1 460 . 1 1 A 45 45 SER HA H 79 4.068 4.484 -0.416 2
1 463 . 1 1 A 45 45 SER CA C 79 59.440 58.683 0.757 2
1 464 . 1 1 A 45 45 SER CB C 79 64.580 63.452 1.129 2
1 465 . 1 1 A 45 45 SER N N 79 114.450 114.138 0.312 2
1 466 . 1 1 A 46 46 LYS H H 80 7.802 7.788 0.014 2
1 467 . 1 1 A 46 46 LYS HA H 80 3.920 3.890 0.029 2
1 476 . 1 1 A 46 46 LYS CA C 80 56.810 57.561 -0.751 2
1 477 . 1 1 A 46 46 LYS CB C 80 27.840 29.614 -1.774 2
1 481 . 1 1 A 46 46 LYS N N 80 114.720 118.392 -3.672 2
1 482 . 1 1 A 47 47 LEU H H 81 7.468 7.633 -0.165 2
1 483 . 1 1 A 47 47 LEU HA H 81 4.480 4.657 -0.177 2
1 493 . 1 1 A 47 47 LEU CA C 81 52.000 51.943 0.057 2
1 494 . 1 1 A 47 47 LEU CB C 81 40.400 42.530 -2.130 2
1 498 . 1 1 A 47 47 LEU N N 81 122.848 119.942 2.906 2
1 499 . 1 1 A 48 48 PRO HA H 82 4.510 4.557 -0.047 2
1 506 . 1 1 A 48 48 PRO CA C 82 60.910 62.887 -1.977 2
1 507 . 1 1 A 48 48 PRO CB C 82 31.550 32.706 -1.156 2
1 510 . 1 1 A 49 49 ASN H H 83 7.580 8.851 -1.271 2
1 511 . 1 1 A 49 49 ASN HA H 83 4.220 4.422 -0.202 2
1 516 . 1 1 A 49 49 ASN CA C 83 56.000 56.156 -0.156 2
1 517 . 1 1 A 49 49 ASN CB C 83 36.900 38.331 -1.431 2
1 519 . 1 1 A 50 50 THR H H 84 7.270 8.073 -0.803 2
1 520 . 1 1 A 50 50 THR HA H 84 4.000 3.962 0.038 2
1 525 . 1 1 A 50 50 THR CA C 84 63.474 66.868 -3.394 2
1 526 . 1 1 A 50 50 THR CB C 84 66.950 68.496 -1.546 2
1 528 . 1 1 A 51 51 VAL H H 85 6.827 8.191 -1.364 2
1 529 . 1 1 A 51 51 VAL HA H 85 3.620 3.823 -0.203 2
1 537 . 1 1 A 51 51 VAL CA C 85 64.100 67.285 -3.185 2
1 538 . 1 1 A 51 51 VAL CB C 85 30.500 31.500 -1.000 2
1 541 . 1 1 A 51 51 VAL N N 85 124.677 122.525 2.152 2
1 542 . 1 1 A 52 52 LEU H H 86 7.912 8.341 -0.429 2
1 543 . 1 1 A 52 52 LEU HA H 86 3.560 4.054 -0.494 2
1 553 . 1 1 A 52 52 LEU CA C 86 56.600 58.408 -1.808 2
1 554 . 1 1 A 52 52 LEU CB C 86 38.090 41.782 -3.692 2
1 558 . 1 1 A 52 52 LEU N N 86 121.680 119.868 1.812 2
1 559 . 1 1 A 53 53 GLY H H 87 8.429 8.487 -0.058 2
1 560 . 1 1 A 53 53 GLY HA2 H 87 3.940 3.773 0.167 2
1 561 . 1 1 A 53 53 GLY HA3 H 87 4.130 3.798 0.332 2
1 562 . 1 1 A 53 53 GLY CA C 87 46.200 47.196 -0.996 2
1 563 . 1 1 A 53 53 GLY N N 87 107.113 106.301 0.812 2
1 564 . 1 1 A 54 54 LYS H H 88 7.260 7.957 -0.697 2
1 565 . 1 1 A 54 54 LYS HA H 88 4.150 4.048 0.102 2
1 574 . 1 1 A 54 54 LYS CA C 88 57.890 59.359 -1.469 2
1 575 . 1 1 A 54 54 LYS CB C 88 31.000 32.281 -1.281 2
1 579 . 1 1 A 54 54 LYS N N 88 124.980 121.907 3.073 2
1 580 . 1 1 A 55 55 ILE H H 89 8.019 8.304 -0.285 2
1 581 . 1 1 A 55 55 ILE HA H 89 3.476 3.640 -0.164 2
1 591 . 1 1 A 55 55 ILE CA C 89 65.360 65.483 -0.123 2
1 592 . 1 1 A 55 55 ILE CB C 89 36.300 37.853 -1.553 2
1 596 . 1 1 A 55 55 ILE N N 89 122.812 119.835 2.977 2
1 597 . 1 1 A 56 56 TRP H H 90 8.911 8.596 0.315 2
1 598 . 1 1 A 56 56 TRP HA H 90 3.810 4.199 -0.390 2
1 607 . 1 1 A 56 56 TRP CA C 90 60.260 60.417 -0.157 2
1 608 . 1 1 A 56 56 TRP CB C 90 27.000 29.918 -2.918 2
1 614 . 1 1 A 56 56 TRP N N 90 121.947 121.889 0.058 2
1 616 . 1 1 A 57 57 LYS H H 91 7.577 8.255 -0.678 2
1 617 . 1 1 A 57 57 LYS HA H 91 4.010 4.185 -0.175 2
1 626 . 1 1 A 57 57 LYS CA C 91 57.890 59.030 -1.140 2
1 627 . 1 1 A 57 57 LYS CB C 91 31.300 32.133 -0.833 2
1 631 . 1 1 A 57 57 LYS N N 91 117.344 119.372 -2.028 2
1 632 . 1 1 A 58 58 LEU H H 92 7.571 7.614 -0.043 2
1 633 . 1 1 A 58 58 LEU HA H 92 3.995 4.185 -0.190 2
1 643 . 1 1 A 58 58 LEU CA C 92 55.780 57.029 -1.250 2
1 644 . 1 1 A 58 58 LEU CB C 92 42.270 41.983 0.287 2
1 648 . 1 1 A 58 58 LEU N N 92 119.520 119.065 0.455 2
1 649 . 1 1 A 59 59 ALA H H 93 8.135 8.038 0.097 2
1 650 . 1 1 A 59 59 ALA HA H 93 4.150 4.139 0.011 2
1 654 . 1 1 A 59 59 ALA CA C 93 52.400 54.869 -2.469 2
1 655 . 1 1 A 59 59 ALA CB C 93 17.700 18.372 -0.672 2
1 656 . 1 1 A 59 59 ALA N N 93 120.351 121.037 -0.686 2
1 657 . 1 1 A 60 60 ASP H H 94 7.733 7.752 -0.019 2
1 658 . 1 1 A 60 60 ASP HA H 94 4.560 4.541 0.019 2
1 661 . 1 1 A 60 60 ASP CA C 94 50.550 53.635 -3.085 2
1 662 . 1 1 A 60 60 ASP CB C 94 35.220 39.986 -4.766 2
1 663 . 1 1 A 60 60 ASP N N 94 115.750 117.176 -1.426 2
1 664 . 1 1 A 61 61 VAL H H 95 8.358 8.069 0.289 2
1 665 . 1 1 A 61 61 VAL HA H 95 3.500 3.704 -0.204 2
1 673 . 1 1 A 61 61 VAL CA C 95 64.360 66.190 -1.830 2
1 674 . 1 1 A 61 61 VAL CB C 95 31.330 31.725 -0.395 2
1 677 . 1 1 A 61 61 VAL N N 95 129.465 124.393 5.072 2
1 678 . 1 1 A 62 62 ASP H H 96 7.910 7.797 0.113 2
1 679 . 1 1 A 62 62 ASP HA H 96 4.530 4.552 -0.022 2
1 682 . 1 1 A 62 62 ASP CA C 96 51.630 54.293 -2.663 2
1 683 . 1 1 A 62 62 ASP CB C 96 38.300 40.961 -2.661 2
1 684 . 1 1 A 62 62 ASP N N 96 115.789 117.671 -1.882 2
1 685 . 1 1 A 63 63 LYS H H 97 7.590 7.618 -0.028 2
1 686 . 1 1 A 63 63 LYS HA H 97 3.850 4.502 -0.652 2
1 695 . 1 1 A 63 63 LYS CA C 97 56.450 57.249 -0.799 2
1 696 . 1 1 A 63 63 LYS CB C 97 28.000 29.573 -1.573 2
1 700 . 1 1 A 63 63 LYS N N 97 115.885 115.541 0.344 2
1 701 . 1 1 A 64 64 ASP H H 98 8.379 8.103 0.276 2
1 702 . 1 1 A 64 64 ASP HA H 98 4.707 4.710 -0.003 2
1 705 . 1 1 A 64 64 ASP CA C 98 52.060 52.997 -0.937 2
1 706 . 1 1 A 64 64 ASP CB C 98 39.500 40.612 -1.112 2
1 707 . 1 1 A 64 64 ASP N N 98 119.948 118.520 1.428 2
1 708 . 1 1 A 65 65 GLY H H 99 10.740 8.692 2.048 2
1 709 . 1 1 A 65 65 GLY HA2 H 99 3.990 4.019 -0.029 2
1 710 . 1 1 A 65 65 GLY HA3 H 99 4.360 4.195 0.165 2
1 711 . 1 1 A 65 65 GLY CA C 99 45.160 46.005 -0.845 2
1 712 . 1 1 A 65 65 GLY N N 99 115.529 111.400 4.129 2
1 713 . 1 1 A 66 66 LEU H H 100 8.197 7.761 0.436 2
1 714 . 1 1 A 66 66 LEU HA H 100 5.180 5.093 0.087 2
1 724 . 1 1 A 66 66 LEU CA C 100 52.200 53.064 -0.864 2
1 725 . 1 1 A 66 66 LEU CB C 100 44.290 45.509 -1.219 2
1 729 . 1 1 A 66 66 LEU N N 100 123.347 121.894 1.453 2
1 730 . 1 1 A 67 67 LEU H H 101 8.697 9.100 -0.403 2
1 731 . 1 1 A 67 67 LEU HA H 101 5.796 4.963 0.833 2
1 741 . 1 1 A 67 67 LEU CA C 101 51.600 53.655 -2.055 2
1 742 . 1 1 A 67 67 LEU CB C 101 42.100 43.367 -1.267 2
1 746 . 1 1 A 67 67 LEU N N 101 121.209 122.601 -1.392 2
1 747 . 1 1 A 68 68 ASP H H 102 9.241 8.605 0.636 2
1 748 . 1 1 A 68 68 ASP HA H 102 5.620 4.804 0.816 2
1 751 . 1 1 A 68 68 ASP CA C 102 50.980 53.311 -2.331 2
1 752 . 1 1 A 68 68 ASP CB C 102 39.750 41.592 -1.842 2
1 753 . 1 1 A 68 68 ASP N N 102 124.386 125.394 -1.008 2
1 754 . 1 1 A 69 69 ASP H H 103 8.523 8.670 -0.147 2
1 755 . 1 1 A 69 69 ASP HA H 103 2.830 3.318 -0.488 2
1 758 . 1 1 A 69 69 ASP CA C 103 56.160 56.274 -0.114 2
1 759 . 1 1 A 69 69 ASP CB C 103 37.160 39.571 -2.411 2
1 760 . 1 1 A 69 69 ASP N N 103 117.349 120.257 -2.908 2
1 761 . 1 1 A 70 70 GLU H H 104 8.003 7.846 0.158 2
1 762 . 1 1 A 70 70 GLU HA H 104 4.075 4.306 -0.231 2
1 767 . 1 1 A 70 70 GLU CA C 104 58.950 59.357 -0.407 2
1 768 . 1 1 A 70 70 GLU CB C 104 29.134 29.533 -0.399 2
1 770 . 1 1 A 70 70 GLU N N 104 124.806 120.155 4.651 2
1 771 . 1 1 A 71 71 GLU H H 105 8.758 8.201 0.557 2
1 772 . 1 1 A 71 71 GLU HA H 105 4.030 4.078 -0.048 2
1 777 . 1 1 A 71 71 GLU CA C 105 58.570 59.004 -0.434 2
1 778 . 1 1 A 71 71 GLU CB C 105 30.270 29.431 0.839 2
1 780 . 1 1 A 71 71 GLU N N 105 123.541 120.317 3.224 2
1 781 . 1 1 A 72 72 PHE H H 106 9.416 8.744 0.672 2
1 782 . 1 1 A 72 72 PHE HA H 106 4.230 4.124 0.106 2
1 790 . 1 1 A 72 72 PHE CA C 106 60.000 61.642 -1.642 2
1 791 . 1 1 A 72 72 PHE CB C 106 38.440 39.085 -0.645 2
1 797 . 1 1 A 72 72 PHE N N 106 120.706 121.867 -1.161 2
1 798 . 1 1 A 73 73 ALA H H 107 8.085 8.157 -0.072 2
1 799 . 1 1 A 73 73 ALA HA H 107 3.778 3.810 -0.032 2
1 803 . 1 1 A 73 73 ALA CA C 107 54.010 55.112 -1.102 2
1 804 . 1 1 A 73 73 ALA CB C 107 16.691 17.987 -1.296 2
1 805 . 1 1 A 73 73 ALA N N 107 126.845 121.200 5.645 2
1 806 . 1 1 A 74 74 LEU H H 108 8.443 8.050 0.393 2
1 807 . 1 1 A 74 74 LEU HA H 108 4.048 3.961 0.087 2
1 817 . 1 1 A 74 74 LEU CA C 108 56.811 57.718 -0.907 2
1 818 . 1 1 A 74 74 LEU CB C 108 41.090 41.604 -0.514 2
1 822 . 1 1 A 74 74 LEU N N 108 121.249 120.426 0.823 2
1 823 . 1 1 A 75 75 ALA H H 109 8.677 8.256 0.421 2
1 824 . 1 1 A 75 75 ALA HA H 109 3.648 3.960 -0.312 2
1 828 . 1 1 A 75 75 ALA CA C 109 54.220 55.515 -1.295 2
1 829 . 1 1 A 75 75 ALA CB C 109 15.367 18.136 -2.769 2
1 830 . 1 1 A 75 75 ALA N N 109 122.981 121.036 1.945 2
1 831 . 1 1 A 76 76 ASN H H 110 7.270 7.918 -0.648 2
1 832 . 1 1 A 76 76 ASN HA H 110 3.800 4.192 -0.392 2
1 837 . 1 1 A 76 76 ASN CA C 110 55.500 55.857 -0.357 2
1 838 . 1 1 A 76 76 ASN CB C 110 36.610 37.281 -0.671 2
1 839 . 1 1 A 76 76 ASN N N 110 115.791 116.262 -0.471 2
1 841 . 1 1 A 77 77 HIS H H 111 8.363 7.654 0.709 2
1 842 . 1 1 A 77 77 HIS HA H 111 4.092 4.153 -0.061 2
1 847 . 1 1 A 77 77 HIS CA C 111 59.180 59.442 -0.262 2
1 848 . 1 1 A 77 77 HIS CB C 111 30.420 29.932 0.488 2
1 851 . 1 1 A 77 77 HIS N N 111 124.686 120.775 3.911 2
1 852 . 1 1 A 78 78 LEU H H 112 8.278 8.205 0.073 2
1 853 . 1 1 A 78 78 LEU HA H 112 3.820 3.826 -0.006 2
1 863 . 1 1 A 78 78 LEU CA C 112 56.115 57.761 -1.646 2
1 864 . 1 1 A 78 78 LEU CB C 112 41.000 41.428 -0.428 2
1 868 . 1 1 A 78 78 LEU N N 112 119.085 119.382 -0.298 2
1 869 . 1 1 A 79 79 ILE H H 113 7.799 8.047 -0.248 2
1 870 . 1 1 A 79 79 ILE HA H 113 3.270 3.518 -0.248 2
1 880 . 1 1 A 79 79 ILE CA C 113 65.020 64.957 0.062 2
1 881 . 1 1 A 79 79 ILE CB C 113 36.730 37.119 -0.389 2
1 885 . 1 1 A 79 79 ILE N N 113 121.304 120.279 1.025 2
1 886 . 1 1 A 80 80 LYS H H 114 7.546 8.207 -0.661 2
1 887 . 1 1 A 80 80 LYS HA H 114 3.820 3.954 -0.134 2
1 896 . 1 1 A 80 80 LYS CA C 114 58.970 59.713 -0.743 2
1 897 . 1 1 A 80 80 LYS CB C 114 30.470 32.234 -1.764 2
1 901 . 1 1 A 80 80 LYS N N 114 122.150 121.635 0.515 2
1 902 . 1 1 A 81 81 VAL H H 115 8.110 7.622 0.488 2
1 903 . 1 1 A 81 81 VAL HA H 115 3.736 3.837 -0.101 2
1 911 . 1 1 A 81 81 VAL CA C 115 64.500 65.952 -1.452 2
1 912 . 1 1 A 81 81 VAL CB C 115 30.050 31.418 -1.367 2
1 915 . 1 1 A 81 81 VAL N N 115 118.999 118.401 0.598 2
1 916 . 1 1 A 82 82 LYS H H 116 7.853 7.764 0.089 2
1 917 . 1 1 A 82 82 LYS HA H 116 4.520 4.145 0.375 2
1 926 . 1 1 A 82 82 LYS CA C 116 56.000 59.758 -3.758 2
1 927 . 1 1 A 82 82 LYS CB C 116 30.340 32.531 -2.191 2
1 931 . 1 1 A 82 82 LYS N N 116 123.030 122.021 1.009 2
1 932 . 1 1 A 83 83 LEU H H 117 8.959 8.279 0.680 2
1 933 . 1 1 A 83 83 LEU HA H 117 4.080 4.035 0.044 2
1 943 . 1 1 A 83 83 LEU CA C 117 56.620 57.364 -0.745 2
1 944 . 1 1 A 83 83 LEU CB C 117 40.361 41.162 -0.801 2
1 948 . 1 1 A 83 83 LEU N N 117 125.378 119.898 5.480 2
1 949 . 1 1 A 84 84 GLU H H 118 7.817 7.931 -0.114 2
1 950 . 1 1 A 84 84 GLU HA H 118 4.156 4.299 -0.143 2
1 955 . 1 1 A 84 84 GLU CA C 118 55.100 56.397 -1.297 2
1 956 . 1 1 A 84 84 GLU CB C 118 28.600 29.987 -1.387 2
1 958 . 1 1 A 84 84 GLU N N 118 119.766 116.791 2.975 2
1 959 . 1 1 A 85 85 GLY H H 119 7.862 8.016 -0.154 2
1 960 . 1 1 A 85 85 GLY HA2 H 119 3.640 3.724 -0.084 2
1 961 . 1 1 A 85 85 GLY HA3 H 119 4.140 3.810 0.330 2
1 962 . 1 1 A 85 85 GLY CA C 119 43.690 45.736 -2.046 2
1 963 . 1 1 A 85 85 GLY N N 119 107.933 108.322 -0.389 2
1 964 . 1 1 A 86 86 HIS H H 120 7.714 7.888 -0.174 2
1 965 . 1 1 A 86 86 HIS HA H 120 4.670 4.943 -0.273 2
1 970 . 1 1 A 86 86 HIS CA C 120 53.780 55.133 -1.353 2
1 971 . 1 1 A 86 86 HIS CB C 120 29.390 33.555 -4.165 2
1 973 . 1 1 A 86 86 HIS N N 120 122.124 117.157 4.967 2
1 974 . 1 1 A 87 87 GLU H H 121 8.491 8.886 -0.395 2
1 975 . 1 1 A 87 87 GLU HA H 121 4.300 4.835 -0.535 2
1 980 . 1 1 A 87 87 GLU CA C 121 54.000 55.297 -1.297 2
1 981 . 1 1 A 87 87 GLU CB C 121 29.120 32.121 -3.001 2
1 983 . 1 1 A 87 87 GLU N N 121 121.826 120.539 1.287 2
1 984 . 1 1 A 88 88 LEU H H 122 8.659 8.784 -0.125 2
1 985 . 1 1 A 88 88 LEU HA H 122 4.417 4.801 -0.384 2
1 995 . 1 1 A 88 88 LEU CA C 122 50.777 52.750 -1.973 2
1 996 . 1 1 A 88 88 LEU CB C 122 39.986 42.286 -2.301 2
1 1000 . 1 1 A 88 88 LEU N N 122 125.316 122.010 3.306 2
1 1001 . 1 1 A 89 89 PRO HA H 123 4.570 4.436 0.134 2
1 1008 . 1 1 A 89 89 PRO CA C 123 60.690 63.850 -3.160 2
1 1009 . 1 1 A 89 89 PRO CB C 123 30.320 31.993 -1.673 2
1 1012 . 1 1 A 90 90 ALA H H 124 8.464 7.971 0.493 2
1 1013 . 1 1 A 90 90 ALA HA H 124 4.068 3.964 0.104 2
1 1017 . 1 1 A 90 90 ALA CA C 124 52.700 53.594 -0.894 2
1 1018 . 1 1 A 90 90 ALA CB C 124 17.760 17.925 -0.165 2
1 1019 . 1 1 A 90 90 ALA N N 124 123.603 120.324 3.279 2
1 1020 . 1 1 A 91 91 ASP H H 125 7.482 7.745 -0.263 2
1 1021 . 1 1 A 91 91 ASP HA H 125 4.630 5.190 -0.560 2
1 1024 . 1 1 A 91 91 ASP CA C 125 50.340 52.775 -2.435 2
1 1025 . 1 1 A 91 91 ASP CB C 125 42.620 44.868 -2.248 2
1 1026 . 1 1 A 91 91 ASP N N 125 115.317 116.023 -0.706 2
1 1027 . 1 1 A 92 92 LEU H H 126 8.883 9.079 -0.196 2
1 1028 . 1 1 A 92 92 LEU HA H 126 4.196 4.897 -0.701 2
1 1038 . 1 1 A 92 92 LEU CA C 126 51.930 51.524 0.406 2
1 1039 . 1 1 A 92 92 LEU CB C 126 41.032 42.893 -1.861 2
1 1043 . 1 1 A 92 92 LEU N N 126 125.329 122.535 2.794 2
1 1044 . 1 1 A 93 93 PRO HA H 127 4.860 4.588 0.272 2
1 1051 . 1 1 A 93 93 PRO CA C 127 59.820 61.666 -1.846 2
1 1052 . 1 1 A 93 93 PRO CB C 127 29.800 32.157 -2.357 2
1 1055 . 1 1 A 94 94 PRO HA H 128 4.220 4.228 -0.008 2
1 1062 . 1 1 A 94 94 PRO CA C 128 64.560 64.945 -0.385 2
1 1063 . 1 1 A 94 94 PRO CB C 128 30.900 31.777 -0.877 2
1 1066 . 1 1 A 95 95 HIS H H 129 7.922 8.029 -0.107 2
1 1067 . 1 1 A 95 95 HIS HA H 129 4.650 4.646 0.004 2
1 1072 . 1 1 A 95 95 HIS CA C 129 56.810 56.005 0.805 2
1 1073 . 1 1 A 95 95 HIS CB C 129 28.100 30.248 -2.148 2
1 1076 . 1 1 A 95 95 HIS N N 129 112.757 114.520 -1.763 2
1 1077 . 1 1 A 96 96 LEU H H 130 7.717 7.735 -0.018 2
1 1078 . 1 1 A 96 96 LEU HA H 130 4.646 4.514 0.132 2
1 1088 . 1 1 A 96 96 LEU CA C 130 52.920 55.064 -2.144 2
1 1089 . 1 1 A 96 96 LEU CB C 130 42.210 43.277 -1.067 2
1 1093 . 1 1 A 96 96 LEU N N 130 121.128 119.252 1.876 2
1 1094 . 1 1 A 97 97 VAL H H 131 7.173 7.431 -0.257 2
1 1095 . 1 1 A 97 97 VAL HA H 131 3.720 4.236 -0.516 2
1 1103 . 1 1 A 97 97 VAL CA C 131 60.520 60.275 0.245 2
1 1104 . 1 1 A 97 97 VAL CB C 131 31.310 32.282 -0.972 2
1 1107 . 1 1 A 97 97 VAL N N 131 125.460 121.080 4.380 2
1 1108 . 1 1 A 98 98 PRO HA H 132 2.720 3.587 -0.867 2
1 1115 . 1 1 A 98 98 PRO CA C 132 59.400 61.565 -2.165 2
1 1116 . 1 1 A 98 98 PRO CB C 132 30.250 31.922 -1.673 2
1 1119 . 1 1 A 99 99 PRO HA H 133 3.610 4.137 -0.527 2
1 1126 . 1 1 A 99 99 PRO CA C 133 64.760 64.565 0.195 2
1 1127 . 1 1 A 99 99 PRO CB C 133 30.770 31.632 -0.862 2
1 1130 . 1 1 A 100 100 SER H H 134 9.222 8.014 1.208 2
1 1131 . 1 1 A 100 100 SER HA H 134 4.140 4.308 -0.168 2
1 1134 . 1 1 A 100 100 SER CA C 134 59.660 59.759 -0.099 2
1 1135 . 1 1 A 100 100 SER CB C 134 61.320 62.989 -1.669 2
1 1136 . 1 1 A 100 100 SER N N 134 115.005 112.283 2.722 2
1 1137 . 1 1 A 101 101 LYS H H 135 7.867 7.450 0.416 2
1 1138 . 1 1 A 101 101 LYS HA H 135 4.470 4.466 0.003 2
1 1147 . 1 1 A 101 101 LYS CA C 135 52.490 55.453 -2.963 2
1 1148 . 1 1 A 101 101 LYS CB C 135 30.600 32.597 -1.997 2
1 1152 . 1 1 A 101 101 LYS N N 135 121.053 117.923 3.130 2
1 1153 . 1 1 A 102 102 ARG H H 136 7.077 7.441 -0.364 2
1 1154 . 1 1 A 102 102 ARG HA H 136 4.110 4.690 -0.580 2
1 1165 . 1 1 A 102 102 ARG CA C 136 55.440 54.952 0.488 2
1 1166 . 1 1 A 102 102 ARG CB C 136 29.100 31.737 -2.637 2
1 1169 . 1 1 A 102 102 ARG N N 136 121.944 119.528 2.416 2
1 1170 . 1 1 A 103 103 ARG H H 137 8.289 8.694 -0.405 2
1 1171 . 1 1 A 103 103 ARG HA H 137 4.274 4.792 -0.518 2
1 1182 . 1 1 A 103 103 ARG CA C 137 54.100 55.082 -0.982 2
1 1183 . 1 1 A 103 103 ARG CB C 137 29.700 32.173 -2.473 2
1 1186 . 1 1 A 103 103 ARG N N 137 123.504 123.298 0.206 2
1 1187 . 1 1 A 104 104 HIS H H 138 8.370 8.803 -0.433 2
1 1188 . 1 1 A 104 104 HIS HA H 138 4.662 5.058 -0.396 2
1 1192 . 1 1 A 104 104 HIS CA C 138 54.110 54.977 -0.867 2
1 1193 . 1 1 A 104 104 HIS CB C 138 28.730 32.307 -3.577 2
stop_
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