data_2g3q_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2g3q _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.705 0.288 . . . . 0.0 111.617 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 37.6 t -79.1 -31.06 44.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 111.195 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.88 -42.29 89.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.96 74.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.774 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 41.6 t -60.7 -32.26 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.188 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -68.92 -50.17 51.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.052 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.07 -39.07 91.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.918 0.389 . . . . 0.0 110.393 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.431 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 81.9 mt -70.05 -29.18 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.326 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1350 ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' 1354 ' ' PHE . 46.0 t -69.84 -19.27 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.997 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.03 34.95 5.28 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.538 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 77.8 mtp -121.91 -40.47 2.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 162.66 8.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.055 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1354 ' ' PHE . . . . . 0.431 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -141.1 156.02 46.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.349 . . . . 0.0 111.0 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 56.0 p -70.16 175.5 4.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.704 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -73.04 -24.55 60.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -58.61 5.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.512 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -56.27 -40.21 73.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.706 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.01 -33.03 74.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.732 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -64.03 -54.28 36.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -59.81 -47.47 85.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.405 . . . . 0.0 110.757 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.43 -50.99 64.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.365 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' 1368 ' ' TRP . 10.1 mt -59.4 -59.31 5.66 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.523 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -45.34 -64.39 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.163 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -51.14 -50.88 58.04 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 124.05 0.844 . . . . 0.0 111.876 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.571 ' O ' ' HB2' ' A' 1367 ' ' ASN . 96.8 m -63.75 -7.42 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.823 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.571 ' HB2' ' O ' ' A' 1366 ' ' CYS . 0.8 OUTLIER 93.07 52.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.4 1.062 . . . . 0.0 109.311 179.419 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' 1363 ' ' LEU . 70.5 m95 44.17 31.28 0.53 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.951 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.403 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 16.0 m-20 -93.75 127.59 39.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.783 0.325 . . . . 0.0 110.556 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.7 -64.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.105 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1371 ' ' GLU . . . . . 0.534 ' HG3' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -52.38 -41.83 63.47 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.772 0.32 . . . . 0.0 110.853 -179.526 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.534 ' N ' ' HG3' ' A' 1371 ' ' GLU . . . -65.75 -34.25 77.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.432 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -62.71 -53.41 54.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.115 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.591 HG21 HG23 ' B' ' 70' ' ' VAL . 17.0 m -57.22 -41.84 80.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.569 ' HA ' HD11 ' A' 1378 ' ' LEU . 5.1 t30 -61.05 -29.02 69.48 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.913 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1376 ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' 1380 ' ' SER . 32.7 t80 -69.07 -48.67 62.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.582 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.57 -20.06 65.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.569 HD11 ' HA ' ' A' 1375 ' ' ASN . 57.4 mt -81.04 -61.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.399 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -93.34 -64.18 1.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.526 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1380 ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' 1376 ' ' PHE . 28.0 m -48.46 129.88 16.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.461 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.091 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.719 0.295 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -117.17 154.74 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.183 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.426 ' HB ' HD22 ' B' ' 67' ' ' LEU . 44.5 pt -124.31 144.47 34.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.877 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -107.29 100.07 9.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.37 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.516 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 55.7 t -78.67 142.12 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.523 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -122.54 113.26 19.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.458 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.439 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 61.4 p -83.37 154.5 24.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.87 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 66.7 mt -81.66 16.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 0.0 111.211 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 7.8 m -111.54 -11.47 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.796 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.16 33.23 4.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.414 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.592 ' HZ1' ' HB3' ' B' ' 11' ' ' LYS . 8.0 ttpm? -121.27 134.98 55.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.977 0.418 . . . . 0.0 111.209 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 42.7 m -105.0 136.08 45.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 78.2 mt -126.23 125.84 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 111.44 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.8 m -106.5 113.24 26.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.375 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.48 147.72 35.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.006 0.431 . . . . 0.0 111.495 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -106.06 112.86 26.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.619 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -125.76 176.49 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 111.416 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -115.18 177.85 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.557 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.8 t -76.39 1.35 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.776 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 86.7 p -120.66 4.78 10.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.009 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.54 165.89 11.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 35.3 p -130.2 160.58 33.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 39.9 mm -57.68 -54.02 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -47.24 -37.7 10.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.594 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -68.39 -40.69 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 111.057 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 t -58.11 -43.79 86.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.013 0.435 . . . . 0.0 110.938 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.503 ' HB3' HE21 ' B' ' 41' ' ' GLN . 4.6 mmmm -59.44 -47.88 83.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.994 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 98.5 p -59.14 -41.73 89.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.03 -47.24 83.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.51 -39.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.438 ' HB2' ' HG3' ' B' ' 38' ' ' PRO . 6.7 tp60 -59.82 -47.0 87.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.22 -15.76 59.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -77.93 -67.64 0.71 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.531 ' HG2' ' HE3' ' B' ' 11' ' ' LYS . 2.3 mp0 -104.08 -61.94 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.092 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.44 10.38 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.771 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.38 121.35 59.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.565 0.182 . . . . 0.0 110.638 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.437 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 88.6 Cg_exo -47.28 120.35 4.3 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.644 2.23 . . . . 0.0 112.654 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.438 ' HG3' ' HB2' ' B' ' 31' ' ' GLN . 20.7 Cg_exo -66.26 -32.17 42.54 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.716 2.278 . . . . 0.0 112.688 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -73.62 -6.29 45.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.328 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.437 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 18.0 mp0 -114.64 -53.71 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.473 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.503 HE21 ' HB3' ' B' ' 27' ' ' LYS . 13.9 pt20 -52.98 142.95 18.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.61 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.426 ' HD2' HE22 ' B' ' 49' ' ' GLN . 83.0 mtm180 -140.28 133.83 30.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.513 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.459 ' HB3' HD12 ' B' ' 50' ' ' LEU . 0.3 OUTLIER -80.12 136.28 36.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 20.3 mt -133.8 147.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.086 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -152.0 125.84 9.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.86 20.61 5.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.69 -26.71 22.05 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.386 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -85.86 126.34 33.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.485 ' HB2' HD21 ' A' 1378 ' ' LEU . 35.5 tt0 -72.87 128.61 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.936 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' B' ' 43' ' ' LEU . 52.5 mt -73.32 107.52 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.24 129.9 41.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.32 138.35 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.44 -48.15 0.97 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.659 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -70.24 166.67 19.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.872 0.367 . . . . 0.0 111.207 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 66.5 p -91.02 -173.31 3.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.288 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.454 ' HA ' HD11 ' B' ' 61' ' ' ILE . 41.7 mt -86.76 -16.96 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -79.61 -21.83 44.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.15 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -72.55 -14.78 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.304 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.519 ' HB2' HG13 ' B' ' 61' ' ' ILE . 78.3 m-85 -118.33 13.34 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.27 22.51 7.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.519 HG13 ' HB2' ' B' ' 59' ' ' TYR . 90.7 mt -56.61 106.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.928 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -74.65 -167.52 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.218 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.492 ' HD3' ' N ' ' B' ' 63' ' ' LYS . 3.6 mppt? -88.6 147.16 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.981 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 56.94 23.05 7.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -60.77 148.4 39.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.01 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.5 m -89.36 96.3 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.931 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.426 HD22 ' HB ' ' B' ' 3' ' ' ILE . 4.0 mm? -90.73 155.63 18.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.082 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.543 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 24.8 m-70 -120.14 151.86 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.455 HD12 ' HB2' ' B' ' 41' ' ' GLN . 14.8 tp -129.94 106.61 8.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.772 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.591 HG23 HG21 ' A' 1374 ' ' THR . 60.5 t -119.67 137.95 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.229 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.047 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 89.1 p -83.83 -46.05 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.758 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 91.5 mt -56.7 -32.92 65.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1345 ' ' ALA . . . . . 0.422 ' O ' ' HG ' ' A' 1349 ' ' LEU . . . -66.83 -51.14 59.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.722 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 57.1 t -63.69 -32.4 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.12 -52.54 16.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.11 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -39.38 78.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.308 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' 1345 ' ' ALA . 52.1 mt -68.53 -34.3 75.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.2 t -63.25 -24.14 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -98.88 40.21 2.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 69.0 mtp -129.26 -43.14 1.31 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.745 0.307 . . . . 0.0 111.041 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 165.85 5.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.711 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.83 165.79 24.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 81.5 p -80.02 179.8 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.17 -36.72 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -61.67 -60.42 3.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -50.75 -33.78 24.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.631 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -70.34 -40.26 74.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.742 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -61.9 -50.84 70.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -61.69 -44.96 95.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.51 45.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.301 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.465 HD22 ' O ' ' A' 1369 ' ' ASP . 11.9 mt -56.33 -58.69 6.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.242 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.18 -64.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.853 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -50.6 -53.94 26.64 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.928 0.768 . . . . 0.0 111.685 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' 1367 ' ' ASN . 97.8 m -58.77 -9.95 2.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.573 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' 1366 ' ' CYS . 11.7 m120 93.16 53.03 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.309 1.006 . . . . 0.0 109.17 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.3 m95 39.35 81.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.724 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.487 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 24.4 t70 -155.9 134.83 11.98 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.448 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1370 ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' 1370 ' ' LEU . 9.2 mt -62.66 -74.77 0.09 Allowed 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -46.17 -36.64 6.17 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.672 0.272 . . . . 0.0 111.528 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -67.36 -42.97 82.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.866 0.365 . . . . 0.0 110.435 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -65.15 -52.74 53.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.637 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.476 ' O ' ' HG ' ' A' 1378 ' ' LEU . 50.2 m -54.43 -50.06 68.52 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.552 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.0 t30 -57.71 -31.15 66.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.071 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1376 ' ' PHE . . . . . 0.513 ' O ' ' HB3' ' A' 1380 ' ' SER . 46.5 t80 -66.48 -53.97 29.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.302 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.1 -25.37 4.99 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.901 0.382 . . . . 0.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' 1375 ' ' ASN . 28.7 mt -76.09 -52.28 10.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.462 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 13.9 t70 -94.12 -68.06 0.82 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.676 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1380 ' ' SER . . . . . 0.513 ' HB3' ' O ' ' A' 1376 ' ' PHE . 52.7 p 33.53 83.44 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.117 0.567 . . . . 0.0 111.867 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.155 -179.867 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.451 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 14.7 tpt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -126.21 144.44 50.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 pt -130.42 164.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.746 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -123.02 102.33 7.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 111.193 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.05 125.72 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.634 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -123.64 135.74 54.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 111.625 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.8 p -96.59 159.09 15.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.583 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.552 HD22 HG21 ' B' ' 70' ' ' VAL . 3.8 mm? -65.82 -21.31 66.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.755 0.312 . . . . 0.0 111.2 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -72.39 -3.55 24.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.081 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.54 58.98 2.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.411 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -139.37 124.62 19.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -96.41 140.9 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 21.8 mt -136.93 139.89 43.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.255 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.2 m -110.32 129.88 55.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -131.04 147.11 52.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 111.343 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -109.63 96.2 6.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.054 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.451 ' O ' ' HB3' ' B' ' 1' ' ' MET . 33.6 m -108.11 -162.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.375 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.436 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 42.6 mt-10 -124.36 154.29 40.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p -69.01 -21.28 64.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 85.5 p -104.22 2.58 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.436 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 17.8 t70 -67.73 153.93 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.8 p -84.23 177.59 8.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.284 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -80.27 -54.08 11.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -55.22 -37.93 67.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.321 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.606 HD22 ' HE2' ' B' ' 29' ' ' LYS . 8.1 t30 -56.75 -40.86 76.55 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.111 0.481 . . . . 0.0 110.204 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.85 -36.2 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.413 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.506 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 33.7 mmtp -59.86 -42.46 93.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.23 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -64.64 -45.99 84.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.367 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.606 ' HE2' HD22 ' B' ' 25' ' ' ASN . 66.0 mttm -55.44 -39.92 70.89 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.644 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.2 mt -69.68 -37.62 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.793 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -57.67 -50.49 73.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.17 -23.22 63.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -64.19 0.93 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -102.77 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.44 0.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.695 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.408 HG21 ' HB3' ' B' ' 41' ' ' GLN . 35.2 mm -58.51 130.86 85.05 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.0 Cg_endo -58.76 139.22 89.85 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.406 2.071 . . . . 0.0 112.487 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 5.0 Cg_exo -77.72 -32.37 2.78 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.875 2.384 . . . . 0.0 112.438 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -76.42 8.23 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.588 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -134.33 -47.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.154 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.463 ' HB2' HD12 ' B' ' 69' ' ' LEU . 10.4 pt20 -57.82 145.43 35.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.997 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.446 HH11 HE22 ' B' ' 49' ' ' GLN . 97.1 mtt180 -142.46 142.74 32.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.601 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.506 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 80.5 mt -97.94 129.46 44.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.409 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.517 HD12 HD21 ' A' 1378 ' ' LEU . 66.0 mt -121.01 137.44 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -140.44 129.7 23.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.03 15.12 4.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.263 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.63 -21.41 45.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.714 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -90.33 132.07 35.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 111.083 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.446 HE22 HH11 ' B' ' 42' ' ' ARG . 35.4 tt0 -78.44 131.88 37.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.18 130.84 35.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -89.37 143.51 26.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.17 148.0 49.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.62 -28.86 13.52 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.594 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -87.71 -179.54 6.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 60.5 p -112.07 -174.52 2.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.9 mt -81.66 -15.29 55.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.143 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.1 p -81.32 -28.78 34.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.542 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -70.45 -4.54 23.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.533 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -131.11 2.03 4.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.971 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 m120 56.4 89.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.942 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.9 mt -123.41 115.42 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -73.94 179.12 4.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.426 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -77.59 152.2 34.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 55.65 24.13 6.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.01 0.433 . . . . 0.0 110.654 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.9 p -59.8 160.51 7.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.092 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 40.8 m -107.64 104.37 13.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.406 ' HB3' HD22 ' B' ' 43' ' ' LEU . 4.6 mm? -98.0 147.07 24.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -108.12 137.74 45.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.463 HD12 ' HB2' ' B' ' 41' ' ' GLN . 14.3 tp -107.92 114.24 28.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.389 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.552 HG21 HD22 ' B' ' 8' ' ' LEU . 38.3 t -122.86 148.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 111.353 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.637 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 36.2 mtmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.846 0.355 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.3 t -83.63 -42.46 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.72 -27.65 69.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -69.57 -50.7 42.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 45.9 t -62.64 -35.83 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.36 -46.37 73.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.768 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -30.82 71.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.468 HD13 HD11 ' A' 1363 ' ' LEU . 79.4 mt -80.49 -23.98 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.004 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 43.8 t -69.08 -25.24 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -86.52 -4.04 83.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.242 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 84.0 mmm -74.61 -67.59 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 179.52 16.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.695 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.09 168.35 20.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.6 p -75.04 174.08 9.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.499 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -73.22 -24.82 60.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.76 -53.89 19.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -58.26 -36.64 73.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.62 68.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.783 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -61.41 -49.14 78.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -66.19 -42.13 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.772 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.57 75.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.449 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' 1368 ' ' TRP . 6.5 mt -63.37 -59.43 4.7 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.916 0.388 . . . . 0.0 110.949 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -45.34 -63.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.804 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 51.5 tptt -51.27 -53.03 39.45 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.853 0.721 . . . . 0.0 111.773 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' A' 1367 ' ' ASN . 4.9 p -61.32 -8.56 3.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.516 0.198 . . . . 0.0 110.505 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' 1366 ' ' CYS . 7.4 t30 95.03 52.83 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.275 0.984 . . . . 0.0 109.358 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.493 ' N ' ' O ' ' A' 1363 ' ' LEU . 80.1 m95 37.07 72.21 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.965 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 40.5 m-20 -138.78 124.55 19.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.81 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1370 ' ' LEU . . . . . 0.51 ' HG ' HD23 ' B' ' 8' ' ' LEU . 20.7 tp -53.62 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -40.61 18.13 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.56 ' HA ' ' OD1' ' A' 1375 ' ' ASN . . . -59.95 -47.76 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 0.0 111.093 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1373 ' ' ALA . . . . . 0.465 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -63.68 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.585 HG23 HG21 ' B' ' 70' ' ' VAL . 10.6 m -57.68 -54.36 47.79 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.016 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.56 ' OD1' ' HA ' ' A' 1372 ' ' ALA . 0.7 OUTLIER -64.29 -24.37 67.63 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.088 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 30.3 t80 -64.23 -38.86 92.55 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.3 -25.72 59.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.69 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.54 HD11 ' HA ' ' A' 1375 ' ' ASN . 36.0 mt -76.61 -60.08 2.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -92.94 -64.98 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.447 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 28.3 m -55.48 170.11 0.26 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.305 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.165 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.49 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 3.9 ppp? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -109.87 164.81 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.039 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -139.74 155.92 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -114.23 112.7 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.055 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.606 HG12 ' HB2' ' B' ' 69' ' ' LEU . 1.8 t -86.07 109.04 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.646 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -94.18 97.06 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.373 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.457 HG23 HD22 ' B' ' 69' ' ' LEU . 70.5 p -65.07 147.28 53.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.168 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.51 HD23 ' HG ' ' A' 1370 ' ' LEU . 12.2 tp -72.46 5.88 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.954 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 39.2 p -98.96 -24.42 14.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.99 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.7 41.97 0.83 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.694 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -138.49 126.94 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.681 0.277 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.6 m -96.76 138.41 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.467 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.9 mm -120.36 114.46 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.537 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.8 m -87.75 113.61 23.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.276 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 tp -127.09 144.07 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 111.623 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -107.17 120.22 41.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.304 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.42 179.11 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 111.678 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -99.28 175.14 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.75 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.7 p -75.92 -27.17 57.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.8 t -101.13 17.02 23.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.044 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.38 139.26 55.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 74.7 p -87.41 144.66 26.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.488 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.6 mm -56.72 -36.24 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.297 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 18.5 t70 -63.27 -34.84 78.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.968 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.451 ' ND2' ' HE2' ' B' ' 29' ' ' LYS . 54.1 t30 -72.46 -31.06 65.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.766 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.02 -52.73 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' B' ' 42' ' ' ARG . 2.0 mptm? -56.63 -40.45 75.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -59.17 -46.01 89.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.451 ' HE2' ' ND2' ' B' ' 25' ' ' ASN . 68.2 mttm -60.84 -44.21 97.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.25 -36.79 70.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -71.61 -32.47 68.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.842 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -83.35 -4.31 58.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.71 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -104.36 -66.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.39 -75.41 0.49 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.35 26.79 0.05 OUTLIER Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.237 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.437 HD11 ' N ' ' B' ' 36' ' ' ILE . 4.2 mp -82.49 127.98 68.62 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.97 0.385 . . . . 0.0 110.328 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.21 117.72 4.41 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.576 2.184 . . . . 0.0 112.577 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.566 ' HA ' HE21 ' B' ' 41' ' ' GLN . 21.9 Cg_exo -65.27 -28.67 55.4 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.569 2.179 . . . . 0.0 112.44 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.5 -14.72 63.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.259 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -111.54 -59.13 2.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.337 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.566 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.4 pt20 -50.9 142.42 11.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.076 0.465 . . . . 0.0 112.161 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.401 ' HA ' ' NZ ' ' B' ' 27' ' ' LYS . 80.3 mtp180 -142.38 135.87 29.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.361 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -78.82 144.01 35.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.209 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.521 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 87.7 mt -137.17 125.88 34.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.378 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -134.83 137.92 43.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.01 19.84 7.63 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.293 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.11 -17.8 44.62 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.31 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.417 ' HZ2' ' HE1' ' B' ' 59' ' ' TYR . 59.7 tttm -93.02 138.97 31.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.665 0.269 . . . . 0.0 110.776 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -69.14 147.9 50.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.917 0.389 . . . . 0.0 111.292 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -101.19 101.41 12.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.922 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.439 ' HB2' ' HH ' ' B' ' 59' ' ' TYR . 39.4 mt-10 -71.26 151.56 44.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.923 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.488 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 6.0 m-20 -76.46 166.15 23.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.74 -52.45 2.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.548 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -75.57 170.59 15.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.012 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.9 p -103.61 -178.4 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 26.8 mt -71.16 -11.96 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -81.01 -30.68 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.04 -6.12 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.252 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.439 ' HH ' ' HB2' ' B' ' 51' ' ' GLU . 82.8 m-85 -131.72 -1.43 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.967 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 51.1 t30 57.58 93.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.019 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.2 mt -125.52 126.27 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.801 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -74.01 -174.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.334 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.49 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 63.1 mmtt -88.18 142.72 27.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.0 20.93 5.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.261 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.0 m -59.74 149.72 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -100.05 97.92 8.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.411 HD13 ' N ' ' B' ' 67' ' ' LEU . 7.2 mp -90.1 -173.01 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.467 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.521 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 59.4 m-70 -131.83 165.07 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.606 ' HB2' HG12 ' B' ' 5' ' ' VAL . 16.1 tp -135.97 126.1 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.203 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.585 HG21 HG23 ' A' 1374 ' ' THR . 59.8 t -137.28 133.15 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.515 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 mp . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.074 0.464 . . . . 0.0 111.237 -179.806 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.5 mtmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.1 t -84.06 -42.79 15.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.83 -36.13 76.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.318 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -61.59 -51.7 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.624 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 54.5 t -60.61 -38.05 77.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.64 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.18 -35.2 80.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.193 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1348 ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' 1352 ' ' MET . 11.8 mm-40 -64.93 -55.29 20.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.108 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.4 mp -53.35 -47.24 69.56 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.354 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.3 t -54.96 -28.32 50.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -96.79 34.77 4.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.673 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1352 ' ' MET . . . . . 0.473 ' HG3' ' O ' ' A' 1348 ' ' GLU . 73.0 mtp -128.67 -65.66 0.87 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.636 0.255 . . . . 0.0 110.918 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -171.0 14.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.963 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.05 178.64 7.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.796 0.332 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 75.5 p -92.69 176.25 6.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.507 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.42 -32.86 64.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.302 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.61 -62.45 1.73 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.71 0.29 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -53.42 -29.66 36.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.229 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.04 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.567 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -62.54 -52.48 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -61.79 -42.15 98.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.61 76.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.456 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' 1368 ' ' TRP . 12.3 mt -60.36 -58.89 6.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.92 0.391 . . . . 0.0 111.074 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.5 -64.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.347 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1365 ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' 1367 ' ' ASN . 45.1 mmtm -49.61 -56.29 10.56 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 124.024 0.828 . . . . 0.0 112.035 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' 1367 ' ' ASN . 4.5 p -58.07 -8.94 1.18 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.626 0.251 . . . . 0.0 110.363 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' 1366 ' ' CYS . 70.0 m-20 91.64 55.54 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 124.301 1.001 . . . . 0.0 109.115 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.475 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.1 m95 36.68 82.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.667 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.6 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 27.5 t70 -152.22 127.79 10.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.093 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1370 ' ' LEU . . . . . 0.513 HD13 ' HG ' ' B' ' 8' ' ' LEU . 3.0 tm? -57.31 -73.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -49.2 -38.37 25.81 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -66.45 -35.12 79.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -71.91 -52.89 15.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.543 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.514 ' O ' ' HG ' ' A' 1378 ' ' LEU . 94.5 m -52.49 -39.0 60.74 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.49 ' HA ' HD12 ' A' 1378 ' ' LEU . 5.1 t30 -76.02 -27.61 57.43 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.099 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 37.0 t80 -61.22 -36.26 79.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.772 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.89 -20.79 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.742 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' 1374 ' ' THR . 48.7 mt -79.13 -63.77 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -91.06 -62.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.374 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 44.3 m -58.47 170.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.123 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.061 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -123.23 143.02 50.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.471 ' HB ' HD21 ' B' ' 67' ' ' LEU . 2.7 pp -121.94 155.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.537 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 91.4 m-85 -119.99 120.56 36.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 111.443 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.443 HG11 ' HB2' ' B' ' 69' ' ' LEU . 2.4 t -82.64 145.53 8.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -127.13 100.99 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.662 0.268 . . . . 0.0 111.705 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.424 HG21 HD23 ' B' ' 69' ' ' LEU . 69.7 p -84.8 148.78 26.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.062 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.513 ' HG ' HD13 ' A' 1370 ' ' LEU . 2.3 mm? -65.56 -15.66 62.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.71 0.29 . . . . 0.0 111.036 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 50.6 p -73.4 -10.21 59.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.807 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.08 45.82 3.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.399 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.573 ' HZ2' HG12 ' B' ' 13' ' ' ILE . 40.2 tttm -129.76 144.09 51.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 111.305 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.0 m -120.97 110.15 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.514 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.573 HG12 ' HZ2' ' B' ' 11' ' ' LYS . 12.1 mt -92.63 149.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.3 m -118.67 112.75 20.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.41 HD22 ' HD2' ' B' ' 29' ' ' LYS . 57.5 tp -126.4 138.6 53.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.095 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -102.82 117.88 35.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.588 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -122.55 177.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.334 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -107.76 168.88 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.765 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.7 p -73.0 -13.44 61.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.792 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -108.25 2.96 23.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.73 155.59 29.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 78.9 p -110.55 148.93 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.222 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -57.36 -42.9 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.41 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 17.9 t70 -56.16 -32.68 64.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.044 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.486 ' ND2' ' HE3' ' B' ' 29' ' ' LYS . 54.9 t30 -76.3 -37.12 57.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.27 -54.71 24.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.44 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 2.1 mptm? -52.53 -43.42 65.14 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 61.7 m -57.9 -44.92 87.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.486 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 99.2 mttt -61.19 -37.88 84.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.93 -35.06 74.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.802 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.41 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 28.6 tt0 -71.48 -36.55 71.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.709 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -81.44 -9.9 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.76 -63.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -94.79 -73.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.57 -7.43 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.937 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.4 mm -60.41 130.37 89.78 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.725 0.262 . . . . 0.0 110.518 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 72.2 Cg_endo -77.59 131.39 11.4 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.422 2.081 . . . . 0.0 113.013 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 28.0 Cg_exo -63.58 -25.63 69.64 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.015 2.477 . . . . 0.0 112.823 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.88 -5.06 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.623 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -130.98 -47.86 1.02 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.602 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.526 ' NE2' HD13 ' B' ' 69' ' ' LEU . 18.0 pt20 -63.65 149.33 46.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.947 0.403 . . . . 0.0 111.431 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -146.18 140.41 26.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.687 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mp -92.23 117.19 29.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.788 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.527 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 4.5 mp -106.75 141.55 21.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.408 ' HB3' HD11 ' B' ' 50' ' ' LEU . 43.8 t80 -146.95 128.32 14.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.355 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.94 11.43 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.436 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.93 14.58 48.76 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.262 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -127.59 134.06 49.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.443 ' HB2' HD23 ' A' 1378 ' ' LEU . 0.1 OUTLIER -73.22 120.63 19.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.477 HD21 HD12 ' B' ' 61' ' ' ILE . 9.3 mp -75.42 108.34 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.97 156.15 21.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.41 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 4.0 p-10 -82.85 149.8 26.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.18 -14.82 58.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.528 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -87.11 170.8 11.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.5 m -99.81 153.77 18.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.26 -36.58 78.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.263 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -67.58 -23.21 65.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.414 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.63 -20.96 66.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.131 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -114.47 4.03 15.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 56.75 93.02 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.477 HD12 HD21 ' B' ' 50' ' ' LEU . 57.0 mt -127.39 136.3 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -91.52 -172.3 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -84.81 147.37 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.29 22.95 12.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -58.51 160.82 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.3 m -110.86 99.17 8.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.365 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.471 HD21 ' HB ' ' B' ' 3' ' ' ILE . 3.7 mm? -86.42 148.3 25.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.663 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.527 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 75.6 m-70 -108.3 128.14 54.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.526 HD13 ' NE2' ' B' ' 41' ' ' GLN . 13.9 tp -97.87 114.45 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.422 HG21 HG21 ' A' 1374 ' ' THR . 42.6 t -127.48 141.21 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.199 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.879 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.7 mtmm . . . . . 0 C--O 1.232 0.156 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 43.6 t -60.53 -35.96 77.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.335 . . . . 0.0 110.738 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.27 -37.0 76.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.77 84.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.948 0.404 . . . . 0.0 110.425 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 41.2 t -67.99 -31.85 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.96 -38.24 76.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.34 -40.92 64.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.681 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.11 -40.22 86.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.052 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 45.2 t -64.17 -15.18 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.284 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.93 15.93 54.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.617 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.1 mtp -102.52 -56.33 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.712 0.291 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -176.25 7.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.675 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.17 177.08 8.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.076 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 80.4 p -87.92 177.01 7.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.358 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.3 -27.07 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.68 -60.76 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -53.31 -35.39 60.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.717 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -71.58 -34.53 70.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.791 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -63.44 -50.09 71.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.653 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -65.62 -45.65 82.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.71 71.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.367 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' 1368 ' ' TRP . 13.7 mt -64.12 -59.6 4.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.439 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -46.36 -64.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 24.4 tptm -50.21 -54.94 17.51 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 124.09 0.869 . . . . 0.0 111.983 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' 1367 ' ' ASN . 3.7 p -57.85 -11.86 2.65 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' 1366 ' ' CYS . 44.9 t-20 96.25 54.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.369 1.043 . . . . 0.0 109.585 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' 1363 ' ' LEU . 71.7 m95 39.51 59.34 1.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.886 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.417 ' HB2' ' HB2' ' A' 1372 ' ' ALA . 32.4 m-20 -128.54 128.55 44.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.949 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.22 -69.89 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1371 ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.1 OUTLIER -52.01 -41.94 62.61 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.046 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' 1371 ' ' GLU . . . -64.71 -34.14 77.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.769 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -64.25 -53.49 48.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.607 ' HB ' HG23 ' B' ' 70' ' ' VAL . 90.6 m -55.33 -51.31 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.558 ' HA ' HD12 ' A' 1378 ' ' LEU . 4.9 t30 -57.84 -28.48 64.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.431 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1376 ' ' PHE . . . . . 0.474 ' HA ' ' HB2' ' A' 1380 ' ' SER . 51.4 t80 -70.39 -37.73 74.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.998 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 80.0 mt -76.37 -25.85 55.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.845 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.618 HD23 HE21 ' B' ' 49' ' ' GLN . 45.2 mt -76.54 -61.36 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -92.05 -65.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.372 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1380 ' ' SER . . . . . 0.474 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 5.2 m -53.63 167.19 0.25 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.111 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.595 ' HB3' ' HE3' ' B' ' 63' ' ' LYS . 5.6 ppp? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.716 0.293 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 4.1 pt20 -130.88 161.11 32.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.415 . . . . 0.0 111.278 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -137.72 163.17 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.736 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -127.99 110.3 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.238 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 73.5 t -82.46 132.26 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.649 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -103.55 101.05 10.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.781 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.411 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 54.6 p -79.97 139.77 36.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.421 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.67 -12.03 30.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.299 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -79.38 -23.76 43.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.79 46.73 0.88 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -138.99 149.39 44.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 111.072 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.7 m -119.41 115.43 24.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.613 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.427 HG23 ' HG ' ' B' ' 15' ' ' LEU . 63.3 mt -95.66 122.97 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.601 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -95.83 115.27 27.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.485 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.427 ' HG ' HG23 ' B' ' 13' ' ' ILE . 61.6 mt -128.9 127.37 41.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.498 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 40.7 tt0 -99.69 113.58 26.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.32 -168.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.455 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.74 159.29 19.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 55.8 m -72.72 -22.36 60.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.3 m -91.78 3.23 55.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.05 150.28 30.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -87.58 170.05 11.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.369 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.619 HD13 HD21 ' B' ' 50' ' ' LEU . 38.9 mm -72.35 -46.89 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.356 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -51.3 -37.16 45.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.056 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -64.67 -41.93 95.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.44 -53.22 49.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.079 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.526 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -53.2 -42.14 66.0 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.105 0.479 . . . . 0.0 110.257 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -61.64 -42.33 98.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.743 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -59.91 -41.61 92.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.536 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.405 HG12 HD13 ' B' ' 15' ' ' LEU . 72.9 mt -60.99 -45.83 97.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -63.64 -31.23 72.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.859 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.05 -9.81 52.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.165 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -93.91 -68.06 0.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 0.0 110.725 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -94.41 -63.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.133 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.11 8.63 0.24 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.796 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.591 HG22 HD13 ' B' ' 69' ' ' LEU . 2.7 mp -74.05 107.36 3.47 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.687 0.244 . . . . 0.0 110.476 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 12.3 Cg_endo -55.09 132.88 54.95 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.688 2.258 . . . . 0.0 112.615 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.32 -46.16 6.16 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.785 2.324 . . . . 0.0 112.807 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -64.25 -3.93 3.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.399 . . . . 0.0 111.212 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -109.08 -42.44 4.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 28.5 pt20 -87.94 168.37 12.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.656 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.419 HH21 ' HE3' ' B' ' 27' ' ' LYS . 3.3 tpm_? -145.35 126.66 14.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.945 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.526 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 1.1 mm? -88.6 132.61 34.47 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.57 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 4.3 mp -130.78 144.2 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.075 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.575 ' HB2' HD22 ' B' ' 67' ' ' LEU . 30.8 t80 -144.25 129.51 18.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.7 18.56 6.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.93 -25.53 27.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.349 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.617 ' HB2' ' HZ2' ' B' ' 48' ' ' LYS . 4.5 ttmp? -96.66 120.35 36.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 110.819 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.618 HE21 HD23 ' A' 1378 ' ' LEU . 0.0 OUTLIER -60.32 165.65 3.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.619 HD21 HD13 ' B' ' 23' ' ' ILE . 7.4 mp -103.73 104.35 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.724 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -76.03 136.73 39.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.913 0.387 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.21 109.89 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.998 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.33 -33.55 0.46 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.403 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -105.9 179.35 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.308 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.0 p -98.93 -175.15 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' B' ' 61' ' ' ILE . 57.9 mt -75.64 -12.71 60.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.7 p -81.21 -21.82 39.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.306 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.12 -12.99 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.171 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.49 ' HB2' HG13 ' B' ' 61' ' ' ILE . 78.1 m-85 -114.35 15.0 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.175 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.2 m120 59.88 15.59 5.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.579 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' B' ' 59' ' ' TYR . 76.8 mt -59.57 136.96 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.764 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.24 -170.09 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HE3' ' HB3' ' B' ' 1' ' ' MET . 13.2 mptt -67.15 146.94 53.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.985 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 57.61 20.76 6.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -57.6 138.12 55.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 85.8 m -99.13 106.9 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.203 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.575 HD22 ' HB2' ' B' ' 45' ' ' PHE . 20.5 mt -102.41 170.62 7.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -129.41 154.03 47.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.361 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.591 HD13 HG22 ' B' ' 36' ' ' ILE . 5.7 tt -119.61 113.38 20.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.362 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.656 HG22 ' H ' ' B' ' 71' ' ' LEU . 1.7 p -131.24 173.02 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.656 ' H ' HG22 ' B' ' 70' ' ' VAL . 9.0 tp . . . . . 0 N--CA 1.467 0.42 0 O-C-N 124.203 0.94 . . . . 0.0 110.916 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 30.1 mtpp . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.754 0.311 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 52.0 m -84.11 -25.72 29.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.567 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 25.1 tp -63.95 -32.65 74.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.064 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -72.33 -47.21 51.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.467 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1346 ' ' VAL . . . . . 0.401 HG11 ' HB3' ' A' 1359 ' ' ALA . 47.3 t -62.35 -33.28 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.899 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -72.27 -45.81 58.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.584 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -34.76 75.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.149 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' 1359 ' ' ALA . 69.3 mt -75.17 -34.8 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.658 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 42.0 t -63.92 -14.88 57.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.105 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -105.67 25.49 24.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.403 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 88.3 mtp -114.67 -50.87 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.975 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 169.83 13.94 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.629 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.29 169.65 17.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.12 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 81.0 p -87.54 175.68 7.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.429 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -73.84 -23.98 59.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.365 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.57 -64.14 0.98 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.942 0.401 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.78 -37.71 66.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.449 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1359 ' ' ALA . . . . . 0.442 ' HB2' HD12 ' A' 1349 ' ' LEU . . . -68.55 -31.92 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -67.92 -54.04 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -60.06 -49.9 75.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.03 72.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' 1373 ' ' ALA . 0.0 OUTLIER -55.77 -61.28 2.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.322 0.582 . . . . 0.0 111.28 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -47.26 -65.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.227 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 60.0 tttm -52.2 -53.2 46.29 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 124.133 0.896 . . . . 0.0 112.005 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.436 ' O ' ' CB ' ' A' 1367 ' ' ASN . 1.6 p -55.01 -15.21 1.89 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' 1366 ' ' CYS . 2.8 t-20 95.76 52.45 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.409 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.456 ' HA ' HD13 ' A' 1363 ' ' LEU . 76.4 m95 37.57 66.96 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.781 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.42 ' HB2' ' HB2' ' A' 1372 ' ' ALA . 23.9 m-20 -134.61 136.02 42.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.455 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1370 ' ' LEU . . . . . 0.469 HD13 HD13 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -57.49 -75.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.137 -178.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -50.7 -40.7 54.74 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' 1369 ' ' ASP . . . -62.63 -37.81 87.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.696 0.284 . . . . 0.0 111.38 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1373 ' ' ALA . . . . . 0.597 ' HB3' HD12 ' A' 1363 ' ' LEU . . . -62.91 -54.17 42.77 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.035 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.55 HG22 HG21 ' B' ' 70' ' ' VAL . 78.5 m -57.86 -50.05 74.62 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 3.8 t30 -56.36 -28.8 60.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.139 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1376 ' ' PHE . . . . . 0.415 ' HA ' ' HB2' ' A' 1380 ' ' SER . 39.9 t80 -70.95 -38.79 72.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.924 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.58 -19.84 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.97 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.606 HD21 ' HB2' ' B' ' 49' ' ' GLN . 69.5 mt -86.82 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.6 t70 -83.8 -63.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.022 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1380 ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 28.7 m -61.28 177.45 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.131 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.446 ' HB3' ' HZ1' ' B' ' 63' ' ' LYS . 26.6 ptm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.976 0.417 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -148.11 147.42 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.5 pt -124.02 157.24 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -117.95 120.56 38.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' B' ' 12' ' ' THR . 2.7 t -86.94 118.58 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -101.16 97.15 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.246 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.445 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 28.9 p -73.26 143.95 46.85 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.617 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.469 HD13 HD13 ' A' 1370 ' ' LEU . 92.4 mt -61.66 -16.44 48.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.273 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 70.3 p -79.49 -23.94 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.291 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.42 54.53 0.65 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.356 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.431 ' H ' ' HG1' ' B' ' 7' ' ' THR . 2.0 tmtp? -144.88 125.81 14.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.315 . . . . 0.0 110.483 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 33.4 m -98.68 134.67 41.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.0 mt -114.87 116.92 54.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.9 m -89.18 112.71 23.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.02 136.99 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -102.97 114.89 29.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -125.82 -175.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.344 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -122.38 173.86 7.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.657 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -74.29 -12.5 60.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.5 m -98.41 -10.66 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.46 142.56 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.619 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.527 ' H ' HD21 ' B' ' 25' ' ' ASN . 82.7 p -98.54 170.22 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.984 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.527 HD12 HD22 ' B' ' 50' ' ' LEU . 37.4 mm -65.68 -40.13 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -57.91 -37.87 74.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.527 HD21 ' H ' ' B' ' 22' ' ' THR . 92.7 m-20 -64.19 -34.95 79.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.45 -55.31 25.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.547 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 1.6 mmtp -55.61 -46.11 77.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.907 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.3 m -58.87 -40.67 85.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.22 -43.46 94.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.22 -37.01 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -72.73 -31.0 64.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -88.1 -12.01 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.221 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -105.75 -66.58 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -80.82 -71.21 0.48 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.012 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.29 -3.26 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.766 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.448 ' N ' HD12 ' B' ' 36' ' ' ILE . 3.1 mp -68.96 114.71 24.99 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.527 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 9.5 Cg_endo -51.38 151.07 14.04 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.712 2.275 . . . . 0.0 112.44 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.472 ' HA ' HE21 ' B' ' 41' ' ' GLN . 71.9 Cg_endo -77.4 -45.18 0.16 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.742 2.295 . . . . 0.0 113.162 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.77 8.15 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 111.122 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.527 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 14.2 mm100 -124.61 -13.99 6.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.548 ' HB2' HD21 ' B' ' 69' ' ' LEU . 28.4 pt20 -114.51 142.88 45.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.78 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.444 ' HG3' HD21 ' B' ' 71' ' ' LEU . 98.1 mtt180 -134.56 127.4 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.409 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.547 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.7 mm? -89.95 121.16 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.482 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -116.69 140.54 38.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.408 ' HB3' HD11 ' B' ' 50' ' ' LEU . 87.3 t80 -142.8 133.15 24.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.67 15.21 7.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.481 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.26 8.44 66.44 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.888 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.548 ' HB3' ' HZ1' ' B' ' 48' ' ' LYS . 6.4 ttpm? -116.7 139.55 50.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.629 0.252 . . . . 0.0 110.699 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.606 ' HB2' HD21 ' A' 1378 ' ' LEU . 15.7 tm0? -77.31 128.56 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.71 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.527 HD22 HD12 ' B' ' 23' ' ' ILE . 8.4 mp -87.35 113.32 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.833 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -81.25 165.67 21.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.054 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -92.91 138.14 31.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.71 -32.63 5.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.596 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.534 HH21 ' HB3' ' B' ' 58' ' ' ASP . 45.4 mtp180 -93.38 150.81 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -78.42 -175.43 4.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.264 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.48 HD21 HD11 ' B' ' 61' ' ' ILE . 35.1 mt -78.17 -25.77 47.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -66.5 -21.88 66.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.534 ' HB3' HH21 ' B' ' 54' ' ' ARG . 19.9 m-20 -76.53 -21.97 55.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.38 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -112.84 -3.47 14.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.069 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 m120 55.0 90.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.48 HD11 HD21 ' B' ' 56' ' ' LEU . 58.1 mt -117.4 136.95 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -89.07 -172.6 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.446 ' HZ1' ' HB3' ' B' ' 1' ' ' MET . 72.4 mmtt -89.87 141.47 28.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 59.13 24.61 12.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -59.31 165.74 2.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 54.0 m -123.86 97.18 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.425 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.0 mp -85.81 -176.36 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.223 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -130.64 159.59 36.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.021 0.439 . . . . 0.0 111.472 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' B' ' 41' ' ' GLN . 0.4 OUTLIER -115.89 112.1 21.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.483 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.55 HG21 HG22 ' A' 1374 ' ' THR . 13.0 t -122.41 171.24 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.494 ' N ' HG11 ' B' ' 70' ' ' VAL . 12.4 tp . . . . . 0 N--CA 1.469 0.511 0 C-N-CA 123.751 0.82 . . . . 0.0 110.275 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 60.7 mttp . . . . . 0 C--O 1.231 0.129 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 59.9 m -63.55 -31.56 72.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.181 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.75 -34.07 77.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.21 93.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 60.9 t -66.99 -48.35 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.318 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.15 -37.62 87.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.55 -41.99 75.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' 1359 ' ' ALA . 29.6 mt -65.34 -14.71 61.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.221 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 54.6 m -67.53 -27.19 66.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.604 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -79.34 -14.2 81.81 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.469 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 57.8 mmm -68.07 -66.34 0.58 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.795 0.331 . . . . 0.0 110.745 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 170.87 13.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.845 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.91 166.91 20.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.904 0.383 . . . . 0.0 111.358 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 76.7 p -76.63 -179.12 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.673 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -72.97 -37.77 66.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.359 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.05 -61.12 2.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.146 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1358 ' ' GLU . . . . . 0.414 ' HB3' HD13 ' A' 1377 ' ' LEU . 42.8 mt-10 -48.9 -39.81 27.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1359 ' ' ALA . . . . . 0.435 ' HB2' HD13 ' A' 1349 ' ' LEU . . . -69.96 -37.6 75.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -61.81 -55.63 27.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -60.99 -41.49 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.714 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.36 -55.21 37.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.406 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' 1368 ' ' TRP . 11.2 mt -57.45 -59.35 5.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.973 0.416 . . . . 0.0 111.199 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.38 -64.35 0.74 Allowed 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.951 -177.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -48.39 -57.43 6.06 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.939 0.774 . . . . 0.0 111.616 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.477 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 73.8 m -57.25 -11.6 1.84 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.769 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' 1366 ' ' CYS . 7.6 t30 95.91 51.86 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.287 0.992 . . . . 0.0 109.118 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.482 ' N ' ' O ' ' A' 1363 ' ' LEU . 74.0 m95 42.89 82.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.836 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.469 ' O ' HD22 ' A' 1363 ' ' LEU . 24.7 m-20 -152.62 129.69 11.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.292 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1370 ' ' LEU . . . . . 0.511 HD13 HD11 ' B' ' 8' ' ' LEU . 11.1 mt -56.24 -78.35 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.94 -34.97 9.89 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.51 0.195 . . . . 0.0 111.39 -178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.477 ' HB1' ' HB3' ' A' 1366 ' ' CYS . . . -62.63 -44.77 95.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.969 0.414 . . . . 0.0 109.996 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1373 ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -64.48 -46.39 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.923 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.623 HG23 HD21 ' A' 1378 ' ' LEU . 54.7 m -53.93 -55.43 27.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.525 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.45 -26.73 65.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.947 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1376 ' ' PHE . . . . . 0.539 ' HA ' ' HB2' ' A' 1380 ' ' SER . 51.0 t80 -71.72 -28.08 63.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.12 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1377 ' ' LEU . . . . . 0.414 HD13 ' HB3' ' A' 1358 ' ' GLU . 3.8 mm? -76.4 -55.99 5.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.202 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.623 HD21 HG23 ' A' 1374 ' ' THR . 0.0 OUTLIER -67.15 -45.33 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.252 -179.095 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -89.39 -67.73 0.82 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1380 ' ' SER . . . . . 0.539 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 11.7 m -68.49 -178.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.29 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.115 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -129.48 171.1 12.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.85 150.85 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -114.51 109.67 18.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.283 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 2.8 t -84.33 141.74 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.716 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -118.58 104.92 11.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.806 0.336 . . . . 0.0 111.491 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 76.7 p -86.44 142.15 28.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.383 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' 1370 ' ' LEU . 3.3 mm? -66.95 -17.28 64.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.323 . . . . 0.0 110.724 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.7 p -71.49 -19.49 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.35 48.4 1.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -141.09 145.57 35.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.4 m -116.4 118.03 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.787 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 44.7 mm -99.52 145.35 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.352 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.0 m -127.16 112.75 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.366 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -126.16 144.24 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 111.421 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.38 122.89 43.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.7 176.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.326 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -106.75 173.6 6.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.858 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -72.75 -17.01 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -106.09 10.11 32.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.01 144.07 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.767 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.3 p -91.89 151.14 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.332 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.419 HG23 ' HE3' ' B' ' 27' ' ' LYS . 49.4 mm -58.25 -48.6 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.341 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.431 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 19.8 t70 -56.69 -39.91 74.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -57.7 -42.87 84.62 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.972 0.415 . . . . 0.0 110.481 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.72 -39.28 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.201 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.449 ' HB3' ' NE2' ' B' ' 41' ' ' GLN . 32.3 mmtp -57.4 -46.25 83.66 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.112 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 63.4 m -58.5 -43.96 89.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.45 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -56.92 -43.14 81.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.22 -39.45 83.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.71 -28.74 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.448 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.05 -3.76 53.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.352 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -102.85 -67.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.057 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.67 -67.95 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.38 6.91 0.23 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.457 -0.878 . . . . 0.0 113.091 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.503 HG23 ' HB3' ' B' ' 41' ' ' GLN . 2.7 mp -63.48 131.5 94.85 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.916 0.358 . . . . 0.0 110.36 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.512 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 50.0 Cg_exo -53.09 147.4 34.42 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.242 1.962 . . . . 0.0 112.176 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.689 ' HA ' HE21 ' B' ' 41' ' ' GLN . 86.6 Cg_endo -83.21 -45.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.637 2.225 . . . . 0.0 113.15 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -74.5 0.73 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.671 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 27.8 mm-40 -113.81 -48.19 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.994 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.689 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.9 pt20 -57.51 145.07 34.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.022 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.591 HH21 ' HG2' ' B' ' 49' ' ' GLN . 78.7 mtp180 -142.64 126.22 16.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.995 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.503 ' HB3' HD12 ' B' ' 50' ' ' LEU . 2.5 mp -82.6 138.17 34.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.313 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 70.7 mt -137.13 127.63 39.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.447 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -127.84 129.6 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.13 14.68 6.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.448 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.71 18.24 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.749 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -122.79 145.17 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.791 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.591 ' HG2' HH21 ' B' ' 42' ' ' ARG . 8.0 tp-100 -81.61 129.22 34.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' B' ' 43' ' ' LEU . 18.3 mt -89.36 103.21 15.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.655 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.79 140.93 58.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 16.0 m-20 -71.93 138.58 48.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.35 -36.33 4.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.358 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -83.81 173.34 11.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.742 0.306 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.5 p -99.42 -179.41 4.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.473 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' B' ' 61' ' ' ILE . 46.4 mt -76.95 -20.33 56.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.2 p -72.4 -21.56 61.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.285 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.38 -15.07 63.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.376 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -123.97 19.24 9.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.448 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 m120 58.44 18.56 5.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.366 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' B' ' 56' ' ' LEU . 78.2 mt -55.52 118.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -92.53 -170.27 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -78.48 145.94 34.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.928 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 56.97 22.86 7.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.013 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.1 p -59.28 163.84 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.6 m -112.49 111.48 22.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.38 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.808 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.457 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.1 m-70 -128.31 152.21 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' B' ' 41' ' ' GLN . 15.0 tp -123.42 116.26 22.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.056 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' B' ' 42' ' ' ARG . 6.4 m -126.18 142.1 43.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 111.275 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.516 179.743 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.9 mtmm . . . . . 0 N--CA 1.462 0.151 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 70.1 m -75.72 -35.86 60.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.385 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.85 -34.03 77.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.341 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -66.28 -46.21 77.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.786 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 48.6 t -57.21 -40.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -65.93 -44.41 85.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.21 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.5 -28.55 69.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.493 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.5 ' HB3' ' HE1' ' A' 1354 ' ' PHE . 38.5 mt -88.12 -22.64 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.211 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 44.9 t -66.68 -25.95 66.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -88.55 -13.14 63.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 75.3 mmm -64.86 -62.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.641 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 170.23 23.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.675 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1354 ' ' PHE . . . . . 0.5 ' HE1' ' HB3' ' A' 1349 ' ' LEU . 0.2 OUTLIER -148.44 151.6 35.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 77.4 p -61.54 171.13 1.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.491 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.0 -17.25 64.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.085 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -58.45 3.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.87 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.39 -38.7 59.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.547 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1359 ' ' ALA . . . . . 0.403 ' HB2' HD12 ' A' 1349 ' ' LEU . . . -69.34 -42.01 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.705 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -54.61 -49.9 69.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.05 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -66.33 -48.38 70.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -51.57 -57.65 8.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.236 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' 1368 ' ' TRP . 3.9 mt -59.16 -60.44 3.86 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.65 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -45.7 -65.57 0.52 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.756 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 27.8 tptp -51.26 -53.02 39.55 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.942 0.776 . . . . 0.0 111.841 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' 1372 ' ' ALA . 98.9 m -62.28 -7.74 4.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' 1366 ' ' CYS . 67.8 m-20 94.11 54.57 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.256 0.973 . . . . 0.0 109.582 179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.527 ' N ' ' O ' ' A' 1363 ' ' LEU . 93.5 m95 36.68 85.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.546 -1.206 . . . . 0.0 112.206 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.434 ' O ' HD23 ' A' 1363 ' ' LEU . 18.3 t70 -156.76 136.64 12.55 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.225 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1370 ' ' LEU . . . . . 0.602 HD12 ' HB3' ' B' ' 8' ' ' LEU . 14.4 mt -58.99 -76.57 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1371 ' ' GLU . . . . . 0.471 ' HG3' HG12 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -41.92 -49.24 4.56 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' 1366 ' ' CYS . . . -59.82 -38.33 81.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.181 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -68.75 -56.03 9.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.542 HG21 HG21 ' B' ' 70' ' ' VAL . 4.4 m -55.37 -36.51 66.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.48 -31.38 72.09 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.685 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1376 ' ' PHE . . . . . 0.656 ' HA ' ' HB2' ' A' 1380 ' ' SER . 73.4 t80 -63.61 -45.17 91.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.268 0.556 . . . . 0.0 109.872 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 28.9 mt -76.89 -20.5 56.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.299 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.473 HD13 HD13 ' B' ' 44' ' ' ILE . 48.2 mt -95.14 -65.41 0.98 Allowed 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -86.18 -59.22 2.35 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1380 ' ' SER . . . . . 0.656 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 5.4 t -36.82 -55.73 0.88 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.845 0.355 . . . . 0.0 111.438 -178.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.027 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.438 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 3.9 ppp? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.033 0.444 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -117.46 165.64 13.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.1 pt -138.52 138.81 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.591 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -102.45 100.39 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 111.126 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.494 HG21 HD11 ' B' ' 43' ' ' LEU . 50.3 t -86.29 110.96 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.781 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.639 ' HB2' ' HZ3' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -101.13 134.9 43.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 111.137 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.519 HG22 ' HB3' ' B' ' 69' ' ' LEU . 66.1 p -102.81 142.04 34.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.209 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.602 ' HB3' HD12 ' A' 1370 ' ' LEU . 93.7 mt -70.12 2.36 3.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 111.03 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 77.5 p -90.71 -10.12 44.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.7 49.17 1.69 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.481 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -144.85 138.17 26.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 111.013 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -107.05 138.22 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.79 141.23 46.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.371 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -126.9 121.16 30.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.397 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.551 HD12 ' HE3' ' B' ' 29' ' ' LYS . 26.0 tp -124.98 143.74 50.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.079 0.466 . . . . 0.0 111.733 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -103.01 108.92 20.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.756 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.1 m -130.6 161.69 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.45 . . . . 0.0 111.898 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -88.08 169.18 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -75.6 -1.86 26.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.4 m -111.37 -3.2 15.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.2 142.0 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.674 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.46 ' H ' HD21 ' B' ' 25' ' ' ASN . 63.1 p -94.03 164.68 12.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.378 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.6 mm -63.32 -38.56 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 14.4 t70 -59.77 -33.97 72.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.664 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.46 HD21 ' H ' ' B' ' 22' ' ' THR . 93.9 m-20 -67.85 -36.31 80.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.78 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -60.27 -53.93 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.154 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.474 ' HE2' HD23 ' B' ' 43' ' ' LEU . 1.9 mmtp -49.22 -47.82 45.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.558 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -63.49 -49.32 74.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.551 ' HE3' HD12 ' B' ' 15' ' ' LEU . 30.9 mtpp -56.91 -30.03 63.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.0 mt -78.02 -40.13 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.56 -36.48 80.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -83.62 -15.92 47.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -90.18 -68.36 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.8 -71.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.617 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.49 2.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.8 mm -62.48 127.27 89.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.455 0.128 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.567 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 37.1 Cg_exo -56.83 127.66 26.75 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.34 2.027 . . . . 0.0 112.19 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.438 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 37.0 Cg_endo -66.22 -40.47 15.12 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.539 2.159 . . . . 0.0 112.879 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.84 7.51 5.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.547 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 14.8 mm100 -126.66 -20.68 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.438 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.1 pt20 -95.26 143.23 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.455 ' HB3' HE22 ' B' ' 49' ' ' GLN . 81.5 mtt180 -134.88 122.39 21.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' B' ' 50' ' ' LEU . 2.1 mm? -79.1 131.54 36.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.473 HD13 HD13 ' A' 1378 ' ' LEU . 23.3 mt -131.59 150.28 33.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.99 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.417 ' HB2' HD23 ' B' ' 67' ' ' LEU . 82.7 t80 -159.75 143.53 14.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.59 17.1 3.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.415 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.49 -20.12 39.94 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.381 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -93.7 141.56 28.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.455 HE22 ' HB3' ' B' ' 42' ' ' ARG . 54.5 tp60 -69.29 142.65 54.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.152 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' B' ' 43' ' ' LEU . 74.1 mt -100.53 95.3 6.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.467 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.05 158.4 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.039 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 5.1 p-10 -87.39 150.37 23.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.787 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.47 -50.43 0.81 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.342 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.1 mmp_? -71.1 160.9 32.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.75 0.309 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -83.33 -174.89 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.013 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.426 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 24.2 mt -85.18 -10.03 57.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.006 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -81.09 -25.83 36.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.57 -5.93 40.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -127.68 9.54 6.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.291 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 56.02 32.27 19.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.368 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.426 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 29.2 mm -59.51 110.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -78.64 175.93 9.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.013 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.438 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 28.2 mmtp -75.75 140.15 42.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.74 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 59.33 20.5 8.72 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.917 0.389 . . . . 0.0 110.707 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 95.9 p -59.0 134.27 56.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.041 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 45.8 m -85.06 97.04 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.736 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.461 ' O ' ' HG2' ' B' ' 6' ' ' LYS . 47.6 mt -82.71 175.64 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -127.75 158.48 37.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.882 0.372 . . . . 0.0 111.088 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.519 ' HB3' HG22 ' B' ' 7' ' ' THR . 6.2 tt -132.57 113.06 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.43 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.542 HG21 HG21 ' A' 1374 ' ' THR . 57.9 t -122.83 150.67 26.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.413 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 16.8 tp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.976 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1342 ' ' LYS . . . . . 0.587 ' HZ1' ' HB2' ' A' 1342 ' ' LYS . 10.3 mtmp? . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.741 0.305 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 26.6 t -84.2 -40.22 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.245 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 54.3 tp -55.26 -41.3 72.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.358 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -64.59 -50.69 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.804 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 61.0 t -58.47 -34.11 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -69.63 -45.01 69.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.805 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.24 -32.9 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.442 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.418 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 83.3 mt -76.42 -16.1 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.267 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 48.1 t -74.12 -21.46 59.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -91.56 0.5 74.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.235 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 92.0 mmm -80.83 -58.09 3.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.834 0.349 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 165.44 16.43 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.734 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1354 ' ' PHE . . . . . 0.418 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.2 OUTLIER -141.16 147.76 38.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 111.071 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 67.6 p -58.71 168.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.707 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -67.07 -26.62 66.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.713 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.55 -59.96 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.748 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -54.58 -41.2 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.067 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.27 -32.05 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.26 -52.73 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -62.14 -45.99 90.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.47 -50.93 64.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' 1368 ' ' TRP . 1.0 OUTLIER -60.21 -60.05 4.43 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.499 -179.462 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.44 -64.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.317 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -51.37 -53.57 35.05 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.807 0.692 . . . . 0.0 111.421 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.526 ' O ' ' HB2' ' A' 1367 ' ' ASN . 89.6 m -60.3 -8.5 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.526 ' HB2' ' O ' ' A' 1366 ' ' CYS . 16.9 m120 94.85 52.82 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.306 1.004 . . . . 0.0 109.351 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' 1363 ' ' LEU . 79.4 m95 42.48 37.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.77 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.414 ' HB3' ' OE1' ' A' 1371 ' ' GLU . 13.1 m-20 -98.09 136.99 37.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.364 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1370 ' ' LEU . . . . . 0.44 ' HG ' HD21 ' B' ' 8' ' ' LEU . 18.3 tp -71.83 -65.79 0.72 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1371 ' ' GLU . . . . . 0.414 ' OE1' ' HB3' ' A' 1369 ' ' ASP . 0.1 OUTLIER -52.67 -37.71 59.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.692 0.282 . . . . 0.0 111.12 -179.592 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1372 ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.07 82.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.027 0.441 . . . . 0.0 110.436 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1373 ' ' ALA . . . . . 0.468 ' HB3' ' HG ' ' A' 1363 ' ' LEU . . . -64.77 -50.91 64.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.268 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.518 HG23 HG22 ' B' ' 70' ' ' VAL . 25.8 m -57.31 -46.35 83.28 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.581 ' HA ' HD12 ' A' 1378 ' ' LEU . 4.4 t30 -61.51 -28.11 69.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.097 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 36.0 t80 -66.06 -51.7 55.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.057 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.69 -21.71 65.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' 1375 ' ' ASN . 59.8 mt -80.16 -60.66 2.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.274 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.14 -66.46 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.511 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 51.6 m -48.51 111.17 0.42 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.332 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.037 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.0 0.429 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -100.2 149.21 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 pt -134.07 156.27 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -122.1 103.28 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.32 141.96 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.961 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.511 ' HZ1' ' HB2' ' B' ' 6' ' ' LYS . 3.9 ttmp? -127.57 96.64 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.156 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.559 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.4 p -61.27 144.07 54.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.64 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.44 HD21 ' HG ' ' A' 1370 ' ' LEU . 12.7 tp -71.37 -0.66 10.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.223 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -89.95 -34.03 16.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.743 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.38 47.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.59 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -143.34 145.78 32.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 84.1 m -113.92 142.66 45.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.6 mt -134.23 144.83 34.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 58.7 m -113.59 123.87 50.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.9 tp -128.19 148.22 50.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.993 0.425 . . . . 0.0 111.378 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -109.55 99.05 8.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.013 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.74 -175.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.301 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -130.32 159.47 36.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.91 0.386 . . . . 0.0 110.981 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.4 m -68.65 -13.65 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.783 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -92.05 -17.91 24.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.737 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.87 136.87 43.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.928 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 81.9 p -77.37 -177.28 4.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.298 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.9 mm -75.28 -50.19 25.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.161 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -56.84 -38.71 73.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -56.49 -44.35 80.59 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.552 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.99 -37.47 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.58 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.534 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 32.0 mmtp -57.68 -42.3 83.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.6 t -65.47 -47.43 76.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.436 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -54.95 -35.77 64.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.609 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.7 mt -72.31 -39.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.309 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -58.98 -35.09 72.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.359 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -89.69 -13.46 36.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -84.9 -67.88 0.77 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.728 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.56 -61.63 1.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.0 4.04 1.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.165 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.08 120.91 79.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 110.789 -0.078 . . . . 0.0 110.789 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.3 Cg_exo -53.85 146.99 43.41 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.452 2.102 . . . . 0.0 112.717 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.441 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 21.5 Cg_exo -65.56 -45.11 7.32 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.613 2.208 . . . . 0.0 112.389 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.71 9.04 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.565 ' O ' ' HA ' ' B' ' 71' ' ' LEU . 33.4 tt0 -126.31 -18.41 4.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.677 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.507 ' HB2' HD21 ' B' ' 69' ' ' LEU . 12.1 pt20 -99.77 136.37 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.028 0.442 . . . . 0.0 111.811 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -130.5 131.11 44.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.245 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.534 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.7 mp -93.24 124.08 36.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.574 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.454 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 67.7 mt -125.1 139.51 50.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.8 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -142.13 131.13 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.78 14.27 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.349 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.61 30.07 14.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.243 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -131.34 133.11 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.512 ' HB2' HD21 ' A' 1378 ' ' LEU . 24.5 tp60 -77.51 113.97 15.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' B' ' 43' ' ' LEU . 76.2 mt -76.23 102.97 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.31 151.15 48.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -78.53 149.81 33.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.35 -43.85 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -81.1 178.85 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.3 p -103.68 -174.29 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.2 mt -76.92 -33.8 57.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 81.1 p -69.4 -23.25 63.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.9 -18.91 65.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -123.59 4.81 8.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 59.01 92.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.233 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.6 mt -124.26 109.86 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.763 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -67.64 -174.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -84.37 148.04 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.42 19.88 6.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.263 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.6 m -59.4 150.3 26.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.786 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -101.16 104.45 15.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.21 172.62 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.667 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.454 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.0 m-70 -127.86 144.19 51.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 111.319 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.559 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 0.3 OUTLIER -112.35 109.21 18.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.266 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.518 HG22 HG23 ' A' 1374 ' ' THR . 38.5 t -120.73 154.05 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.565 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 1.3 tt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.787 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.731 0.301 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 48.0 t -80.09 -36.35 35.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.692 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.0 -34.41 74.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.176 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.77 68.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 0.0 110.405 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 39.9 t -68.06 -31.6 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.86 -41.92 61.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.244 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.17 -37.4 80.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.463 HD13 HD11 ' A' 1363 ' ' LEU . 75.4 mt -74.0 -37.02 64.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.834 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.3 t -56.26 -29.6 61.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.27 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -90.4 35.01 3.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.677 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 82.6 mtp -121.25 -58.78 1.77 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.74 0.305 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 178.19 16.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.733 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1354 ' ' PHE . . . . . 0.431 ' HE1' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -145.74 147.83 32.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 111.051 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 70.3 p -63.06 169.68 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.66 -22.61 66.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -71.19 -53.02 15.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.667 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.67 -38.0 77.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.47 83.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.969 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -58.82 -49.98 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -63.22 -45.99 89.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.18 -54.69 36.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.256 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.463 HD11 HD13 ' A' 1349 ' ' LEU . 6.0 mt -59.27 -59.63 5.15 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.53 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -45.48 -64.88 0.63 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.332 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 62.5 tttp -50.8 -54.32 24.56 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.911 0.757 . . . . 0.0 111.636 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.493 ' O ' ' HB2' ' A' 1367 ' ' ASN . 87.2 m -58.7 -10.26 2.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' 1366 ' ' CYS . 71.4 m-20 94.42 53.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.298 0.999 . . . . 0.0 109.308 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' 1363 ' ' LEU . 75.9 m95 39.18 82.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.726 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.556 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 16.4 t70 -153.87 134.25 13.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.189 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1370 ' ' LEU . . . . . 0.432 HD22 HD12 ' B' ' 8' ' ' LEU . 13.1 mt -62.35 -73.98 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.71 -34.92 12.91 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.536 0.208 . . . . 0.0 111.409 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.556 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -69.73 -39.91 76.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.892 0.377 . . . . 0.0 110.534 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -64.14 -49.96 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.67 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.62 HG21 HG23 ' B' ' 70' ' ' VAL . 26.1 m -62.25 -50.44 71.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.978 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.622 ' HA ' HD13 ' A' 1378 ' ' LEU . 3.4 t30 -53.81 -32.79 54.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.32 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1376 ' ' PHE . . . . . 0.522 ' O ' ' HB3' ' A' 1380 ' ' SER . 91.3 t80 -74.49 -56.43 4.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.763 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 79.6 mt -50.97 -26.1 5.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.067 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.622 HD13 ' HA ' ' A' 1375 ' ' ASN . 45.3 mt -70.39 -56.09 7.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.312 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -94.1 -67.43 0.86 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.378 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1380 ' ' SER . . . . . 0.522 ' HB3' ' O ' ' A' 1376 ' ' PHE . 24.9 p 39.81 89.58 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.885 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.118 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.856 0.36 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -138.13 156.03 48.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.604 ' HB ' HD21 ' B' ' 67' ' ' LEU . 36.4 pt -135.35 156.12 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -116.63 94.55 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.269 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.524 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 77.5 t -65.03 147.35 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.941 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -127.63 110.2 12.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.498 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.436 ' HG1' ' HB3' ' B' ' 11' ' ' LYS . 58.4 p -87.85 146.23 25.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.014 178.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.615 HD21 HG22 ' B' ' 70' ' ' VAL . 3.3 mm? -62.89 -20.94 65.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.808 0.337 . . . . 0.0 111.01 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 39.5 m -67.02 -23.72 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.04 52.65 0.73 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.436 ' HB3' ' HG1' ' B' ' 7' ' ' THR . 56.8 tttm -138.81 144.94 39.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -117.69 100.96 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.524 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 72.1 mt -85.76 133.27 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.409 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.5 m -107.75 113.02 25.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.47 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.0 tp -120.25 150.85 40.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -116.7 114.51 24.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.777 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.6 -170.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.052 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -119.96 167.19 12.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -72.34 -17.74 61.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.8 t -92.5 -12.56 31.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.053 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.26 150.47 34.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 21.3 p -90.79 171.99 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.43 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.42 -58.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.536 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -51.26 -37.94 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -55.66 -45.85 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.163 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.421 HG12 HD23 ' B' ' 43' ' ' LEU . 60.2 t -59.82 -43.96 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.475 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -52.71 -43.22 65.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.631 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.5 m -64.75 -48.29 75.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.758 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.35 -31.88 64.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.737 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.4 mt -76.02 -37.51 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -61.03 -40.14 92.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -81.98 -16.62 49.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -79.78 -37.35 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.571 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.4 ' OE1' ' HE3' ' B' ' 11' ' ' LYS . 58.4 mm-40 -130.71 -68.72 0.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.42 4.57 0.3 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.4 mm -61.67 129.4 91.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.781 0.29 . . . . 0.0 110.632 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.1 Cg_endo -55.46 129.22 33.98 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.673 2.248 . . . . 0.0 112.428 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.442 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 8.1 Cg_exo -73.21 -31.04 9.86 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.82 2.347 . . . . 0.0 112.552 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -78.31 0.94 23.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.319 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -123.45 -43.77 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.248 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.442 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 12.5 pt20 -66.6 157.81 31.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.609 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -149.52 145.4 26.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.422 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.421 HD23 HG12 ' B' ' 26' ' ' VAL . 2.1 mp -94.94 130.26 41.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.346 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.56 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 4.7 mp -124.58 139.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.557 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.418 ' HE1' ' HB2' ' B' ' 65' ' ' SER . 66.7 t80 -138.75 131.79 29.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.88 19.63 2.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.474 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.03 -30.84 9.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.594 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -90.92 122.05 33.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.522 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 4.1 pt20 -72.37 155.08 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.474 HD23 HD13 ' B' ' 61' ' ' ILE . 5.7 mp -106.32 124.09 49.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.04 140.28 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.44 159.7 9.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.57 -32.79 4.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.641 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.409 HH21 ' HB3' ' B' ' 58' ' ' ASP . 47.7 mtp180 -81.72 176.14 9.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.689 0.28 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -105.77 155.33 19.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.163 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.495 ' HB3' HD12 ' B' ' 61' ' ' ILE . 54.3 mt -62.98 -14.88 53.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -81.26 -21.96 39.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.342 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.409 ' HB3' HH21 ' B' ' 54' ' ' ARG . 4.1 m-20 -73.25 -4.21 31.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.416 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -126.44 -3.92 6.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.486 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t30 57.46 96.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.758 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' B' ' 56' ' ' LEU . 56.5 mt -121.0 128.16 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -80.11 178.14 8.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.404 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -84.61 146.06 27.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.711 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 56.19 21.49 5.29 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.903 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.418 ' HB2' ' HE1' ' B' ' 45' ' ' PHE . 91.9 p -63.93 -179.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.348 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.9 m -117.94 119.01 33.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.604 HD21 ' HB ' ' B' ' 3' ' ' ILE . 4.6 mm? -103.67 163.98 11.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.578 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.56 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 44.7 m-70 -129.04 125.29 36.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 111.032 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.441 HD12 ' HB2' ' B' ' 41' ' ' GLN . 20.8 tp -104.21 106.02 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.62 HG23 HG21 ' A' 1374 ' ' THR . 8.4 t -120.36 147.11 24.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.647 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.64 0.257 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 66.5 m -76.35 -34.54 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.119 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.49 -43.27 88.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1345 ' ' ALA . . . . . 0.414 ' HA ' HD22 ' A' 1370 ' ' LEU . . . -61.17 -44.12 97.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 36.3 t -62.82 -34.77 67.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.652 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -70.59 -42.91 70.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.466 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -29.06 69.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.389 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' 1359 ' ' ALA . 28.7 mt -80.6 -36.37 32.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.669 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.9 t -66.06 -11.42 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -106.15 11.01 44.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.676 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1352 ' ' MET . . . . . 0.462 ' HE1' HG21 ' A' 1374 ' ' THR . 90.1 mtp -96.9 -49.43 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.718 0.294 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 169.04 18.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.7 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1354 ' ' PHE . . . . . 0.411 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -145.79 174.96 10.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 111.264 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 70.7 p -84.39 174.9 9.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.513 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -73.15 -23.16 60.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.7 -62.51 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.06 -31.28 40.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1359 ' ' ALA . . . . . 0.461 ' HB3' HD13 ' A' 1349 ' ' LEU . . . -72.85 -36.3 67.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.676 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -64.06 -45.01 90.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -67.43 -52.66 36.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.09 -45.47 68.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.277 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.482 ' HA ' ' HB2' ' A' 1373 ' ' ALA . 17.3 mt -63.87 -59.62 4.3 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.555 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -45.87 -64.46 0.73 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.696 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1365 ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' 1367 ' ' ASN . 23.7 tptm -52.15 -52.54 51.18 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 124.0 0.812 . . . . 0.0 112.185 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.534 ' O ' ' HB2' ' A' 1367 ' ' ASN . 2.7 p -58.94 -9.57 1.94 Allowed 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.534 ' HB2' ' O ' ' A' 1366 ' ' CYS . 45.4 m-80 92.39 53.78 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.487 0 O-C-N 124.408 1.068 . . . . 0.0 109.654 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.43 ' N ' ' O ' ' A' 1363 ' ' LEU . 82.2 m95 39.49 74.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.654 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.431 ' HB2' ' HB1' ' A' 1372 ' ' ALA . 13.5 m-20 -143.48 126.32 16.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.259 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1370 ' ' LEU . . . . . 0.508 HD11 HD13 ' B' ' 8' ' ' LEU . 2.4 tm? -49.76 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1371 ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -54.55 -44.65 73.08 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.361 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' 1371 ' ' GLU . . . -56.74 -34.96 68.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1373 ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -67.65 -41.04 84.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.626 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.462 HG21 ' HE1' ' A' 1352 ' ' MET . 21.5 m -63.78 -54.49 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.051 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 1.6 t30 -55.69 -34.15 64.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.859 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1376 ' ' PHE . . . . . 0.482 ' HA ' ' HB2' ' A' 1380 ' ' SER . 46.7 t80 -71.99 -35.58 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.777 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 16.0 tp -77.3 -19.65 56.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.42 HD22 ' HB2' ' B' ' 49' ' ' GLN . 50.8 mt -89.19 -64.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.772 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -81.07 -63.37 1.42 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.319 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1380 ' ' SER . . . . . 0.482 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 4.1 m -60.64 -179.93 0.14 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.124 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.249 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.709 0.29 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -118.55 154.42 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 111.458 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 pt -134.48 159.03 42.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -123.29 104.53 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.972 0.415 . . . . 0.0 111.411 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 53.4 t -95.26 130.0 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.141 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.504 ' HD3' ' HD1' ' B' ' 68' ' ' HIS . 13.4 ptmm? -110.83 133.65 53.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 111.801 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 73.1 p -85.1 155.16 21.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.01 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.508 HD13 HD11 ' A' 1370 ' ' LEU . 87.1 mt -75.5 6.92 4.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 111.071 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 64.4 m -103.43 -27.55 12.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.63 57.2 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -144.21 137.99 27.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 111.036 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.1 m -93.61 143.53 26.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.313 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.465 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 71.8 mt -128.5 109.71 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.244 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 33.0 m -97.98 117.22 31.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.339 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.2 tp -129.01 136.49 50.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.913 0.387 . . . . 0.0 111.777 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -98.09 98.24 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.145 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -112.36 -169.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.735 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.43 164.79 26.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.552 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -75.9 5.57 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.311 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -106.53 -22.15 12.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -65.82 157.9 29.21 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.287 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.404 ' O ' HG23 ' B' ' 26' ' ' VAL . 75.2 p -110.29 157.95 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.34 -40.53 57.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.63 -33.11 65.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.428 ' ND2' ' HE3' ' B' ' 29' ' ' LYS . 47.7 t30 -81.89 -29.16 32.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 22' ' ' THR . 98.9 t -61.87 -53.78 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.023 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.563 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 4.8 mptp? -52.89 -36.27 59.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.1 t -65.17 -49.9 68.02 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.509 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.428 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 98.8 mttt -56.57 -36.07 68.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.28 -37.62 71.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.88 -42.22 93.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.325 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.79 -6.64 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.456 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -92.3 -32.79 14.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -131.6 -69.41 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.1 -7.26 0.25 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.694 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mm -65.08 118.67 51.79 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.712 0.256 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.468 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 52.6 Cg_exo -53.8 132.02 47.24 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.493 2.128 . . . . 0.0 112.284 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.563 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.2 Cg_exo -59.0 -39.21 82.81 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.536 2.157 . . . . 0.0 112.42 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.94 -10.88 23.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.263 0.554 . . . . 0.0 110.064 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.638 ' O ' ' HB3' ' B' ' 71' ' ' LEU . 23.5 mt-30 -109.55 -16.05 14.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.539 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 33.1 mt-30 -93.74 128.83 40.16 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.439 ' HB2' HG11 ' B' ' 70' ' ' VAL . 94.8 mtt180 -136.27 124.31 22.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.828 177.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.483 ' HG ' ' NZ ' ' B' ' 27' ' ' LYS . 30.9 mt -88.02 147.01 25.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 111.879 -178.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.503 HD13 HG12 ' B' ' 70' ' ' VAL . 18.3 mt -134.78 128.48 50.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.749 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -132.16 139.29 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.745 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.78 14.56 6.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.418 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.38 -15.41 62.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.953 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -104.15 138.51 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.337 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.42 ' HB2' HD22 ' A' 1378 ' ' LEU . 35.8 tt0 -70.97 151.8 44.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.407 ' N ' HD12 ' B' ' 50' ' ' LEU . 6.2 mp -103.74 122.64 45.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.931 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -79.99 176.86 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -101.15 14.34 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -111.81 10.72 27.61 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.85 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -136.1 170.65 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.4 p -101.78 179.91 4.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.5 mt -72.17 -24.1 61.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.979 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.7 m -76.68 -21.99 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -70.26 -17.78 63.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.206 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.468 ' HB2' HG13 ' B' ' 61' ' ' ILE . 76.8 m-85 -110.44 5.13 21.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.059 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 56.57 26.98 11.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.311 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.468 HG13 ' HB2' ' B' ' 59' ' ' TYR . 54.3 mt -57.77 120.34 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.97 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -75.61 179.74 5.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -82.26 147.59 28.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 57.06 19.9 5.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t -61.71 168.87 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 55.3 m -123.97 107.81 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.43 ' HB3' HD21 ' B' ' 43' ' ' LEU . 9.1 mp -97.47 162.48 13.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.458 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.504 ' HD1' ' HD3' ' B' ' 6' ' ' LYS . 25.5 m-70 -112.51 144.64 41.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.066 0.46 . . . . 0.0 111.697 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.0 tp -95.9 138.67 33.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.06 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.553 HG23 ' H ' ' B' ' 71' ' ' LEU . 1.3 p -146.99 172.24 3.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' B' ' 40' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.487 0 O-C-N 124.282 0.989 . . . . 0.0 110.588 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 51.2 pttt . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 19.8 m -57.19 -16.22 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.687 0.279 . . . . 0.0 110.768 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -43.54 95.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.435 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.29 89.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.915 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.9 t -61.4 -35.96 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -73.58 -37.55 65.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -67.84 -33.27 74.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.031 0.443 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.515 HD13 HD11 ' A' 1363 ' ' LEU . 91.0 mt -76.43 -21.99 55.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 46.4 t -65.18 -30.41 71.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -90.12 42.07 2.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.424 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 82.3 mtp -133.11 -51.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.6 0.238 . . . . 0.0 111.092 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 162.73 15.81 0.03 OUTLIER Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.028 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.03 149.4 44.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.956 0.408 . . . . 0.0 111.245 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 66.7 p -68.57 170.9 8.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.328 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1356 ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' 1356 ' ' GLU . 2.3 mp0 -67.76 -27.6 66.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.33 -61.35 2.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.689 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -53.66 -35.58 61.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.767 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -69.77 -39.2 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.84 -53.84 52.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1361 ' ' ASN . . . . . 0.411 ' O ' ' HD3' ' A' 1365 ' ' LYS . 47.4 m-80 -62.11 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.6 -54.86 41.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.345 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.515 HD11 HD13 ' A' 1349 ' ' LEU . 6.8 mt -57.98 -59.2 5.63 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.309 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -45.73 -64.59 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.283 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1365 ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' 1361 ' ' ASN . 5.6 mptp? -49.7 -55.83 12.42 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.776 0.673 . . . . 0.0 111.751 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' 1367 ' ' ASN . 97.7 m -56.11 -13.0 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.656 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' 1366 ' ' CYS . 8.4 t30 96.38 52.11 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.353 1.033 . . . . 0.0 109.074 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' 1363 ' ' LEU . 83.0 m95 38.93 73.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.679 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.449 ' O ' HD21 ' A' 1363 ' ' LEU . 22.1 m-20 -137.3 135.38 37.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.574 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.02 -39.05 25.46 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.813 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1372 ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.64 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.377 . . . . 0.0 111.173 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1373 ' ' ALA . . . . . 0.405 ' HB1' HD21 ' A' 1363 ' ' LEU . . . -58.76 -52.63 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.557 HG21 HG21 ' B' ' 70' ' ' VAL . 29.6 m -55.28 -43.34 74.63 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 3.5 t30 -62.91 -27.4 69.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.116 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 41.6 t80 -70.53 -40.11 73.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.948 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.71 -19.92 61.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.874 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.527 HD22 ' HB2' ' B' ' 49' ' ' GLN . 60.8 mt -86.88 -64.39 1.16 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.541 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -85.6 -61.49 1.75 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.643 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 60.7 m -57.99 -10.87 2.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.481 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.17 179.879 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.404 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 25.5 ptm . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -111.3 149.94 30.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.9 pt -132.52 146.68 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.779 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 91.7 m-85 -114.42 106.21 14.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.238 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 48.3 t -75.45 144.69 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.628 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -130.7 100.97 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.436 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.508 HG21 ' HB3' ' B' ' 69' ' ' LEU . 47.0 p -89.65 143.3 26.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.198 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.426 HD23 ' N ' ' B' ' 8' ' ' LEU . 3.1 mm? -65.02 -19.73 66.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.669 0.271 . . . . 0.0 111.084 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.455 HG21 ' HB ' ' B' ' 7' ' ' THR . 5.9 t -72.02 -6.78 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.73 52.69 2.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.57 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.422 ' HB3' ' HG1' ' B' ' 7' ' ' THR . 7.4 tmtm? -141.3 125.69 17.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 110.662 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 80.2 m -105.77 130.69 53.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.583 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 21.9 mt -116.13 149.4 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.479 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 66.1 m -126.62 112.75 15.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.439 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 51.1 tp -126.79 146.56 50.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.387 . . . . 0.0 111.382 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -111.12 106.24 15.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.16 -171.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.173 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -114.46 172.51 6.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p -75.41 -15.2 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -93.3 -12.4 30.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.52 133.28 50.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.8 p -82.28 -173.75 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.2 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -80.2 -50.22 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.649 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.28 -33.08 67.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.158 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -62.07 -40.61 96.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.31 -34.39 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.559 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.481 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 32.7 mmtp -60.1 -44.31 94.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.7 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -67.28 -48.23 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.748 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -53.49 -38.53 63.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.1 mt -75.68 -34.21 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.679 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.14 -34.35 76.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -79.42 -12.08 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -94.73 -66.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.807 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -91.07 -74.95 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.35 51.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.243 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.496 HG21 HD11 ' B' ' 69' ' ' LEU . 4.2 mp -98.55 130.68 27.47 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.42 114.52 1.86 Allowed 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.523 2.148 . . . . 0.0 112.771 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.576 ' HA ' HE21 ' B' ' 41' ' ' GLN . 35.9 Cg_exo -62.25 -19.95 68.51 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.71 2.274 . . . . 0.0 112.749 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.51 -1.86 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.632 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.632 HE21 HD22 ' B' ' 71' ' ' LEU . 22.2 mt-30 -129.45 -42.51 1.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.672 0.272 . . . . 0.0 111.618 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.576 HE21 ' HA ' ' B' ' 38' ' ' PRO . 28.4 pt20 -61.08 157.2 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 0.0 111.749 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.597 HH21 ' HG2' ' B' ' 49' ' ' GLN . 12.0 ptm180 -161.51 142.9 11.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.249 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.481 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 69.6 mt -92.29 142.76 27.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.951 0.405 . . . . 0.0 111.85 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.54 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 5.0 mp -132.37 142.24 43.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.817 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -145.36 130.11 18.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.63 17.83 8.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.34 18.54 62.25 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.282 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -127.46 127.5 44.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.733 0.301 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.597 ' HG2' HH21 ' B' ' 42' ' ' ARG . 7.4 tp-100 -61.92 139.82 58.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.047 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.6 mt -93.78 98.79 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.48 136.61 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.46 146.68 52.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.26 -36.58 4.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.403 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -86.6 146.77 26.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.677 0.275 . . . . 0.0 110.735 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.8 p -74.07 -177.46 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.9 mt -81.94 -8.77 59.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.17 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.6 p -81.22 -22.17 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.169 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.87 -4.86 34.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.325 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.497 ' HB2' HG13 ' B' ' 61' ' ' ILE . 88.7 m-85 -129.58 14.49 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.231 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 56.77 22.57 7.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.498 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.497 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.7 mt -62.42 105.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.789 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.97 -167.79 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.386 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.404 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 20.6 mmtp -85.22 151.95 23.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.075 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.2 24.51 11.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 p -67.69 157.08 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.198 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 30.7 m -102.85 106.59 17.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.731 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.07 153.06 18.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.467 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.54 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.1 m-70 -114.7 127.87 56.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.173 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' B' ' 41' ' ' GLN . 2.9 tm? -110.03 111.53 22.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.759 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.557 HG21 HG21 ' A' 1374 ' ' THR . 4.3 t -124.56 156.55 32.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.657 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.632 HD22 HE21 ' B' ' 40' ' ' GLN . 8.8 mp . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.036 0.446 . . . . 0.0 111.378 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 51.9 mtmt . . . . . 0 CA--C 1.529 0.142 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.8 t -81.44 -48.08 12.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.63 0.253 . . . . 0.0 111.306 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.95 -28.83 58.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -68.93 -48.2 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 38.3 t -61.71 -33.39 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.189 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -72.33 -44.64 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.95 -37.15 83.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.761 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' 1359 ' ' ALA . 93.2 mt -74.75 -40.01 61.49 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.222 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 86.7 p -62.8 -15.31 53.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.152 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -101.0 11.8 58.89 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.638 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1352 ' ' MET . . . . . 0.453 ' HE3' HG22 ' A' 1374 ' ' THR . 90.3 mtp -99.9 -44.92 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.326 . . . . 0.0 110.974 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 168.83 -2.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.743 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.45 175.95 5.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 41.2 p -89.71 174.99 7.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.98 -25.98 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.49 -52.49 21.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.521 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.94 -32.48 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.25 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1359 ' ' ALA . . . . . 0.435 ' HB3' HD12 ' A' 1349 ' ' LEU . . . -70.5 -47.51 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.859 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -57.81 -45.77 85.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -65.94 -49.22 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.068 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.34 -53.35 55.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.369 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' 1368 ' ' TRP . 9.0 mt -57.33 -59.33 5.29 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -45.3 -64.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.005 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -49.11 -55.78 11.17 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.956 0.785 . . . . 0.0 111.83 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' 1367 ' ' ASN . 72.4 m -58.78 -10.16 2.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.684 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' 1366 ' ' CYS . 11.0 m120 93.25 53.26 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 124.257 0.973 . . . . 0.0 109.063 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.471 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.0 m95 41.31 81.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.651 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.576 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 18.0 t70 -148.06 132.91 18.03 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1370 ' ' LEU . . . . . 0.546 HD11 HD12 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -55.58 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.664 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -49.69 -44.62 48.15 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' 1369 ' ' ASP . . . -56.8 -39.23 73.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.766 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -64.88 -47.06 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.527 ' HB ' HG23 ' B' ' 70' ' ' VAL . 90.6 m -62.57 -55.8 23.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.946 0.403 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.541 ' HA ' HD11 ' A' 1378 ' ' LEU . 3.6 t30 -51.55 -34.08 35.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.497 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1376 ' ' PHE . . . . . 0.514 ' O ' ' HB3' ' A' 1380 ' ' SER . 80.5 t80 -69.49 -61.7 1.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.75 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 76.8 mt -50.69 -32.72 20.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.445 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.551 HD22 HE21 ' B' ' 49' ' ' GLN . 82.6 mt -61.95 -54.6 39.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -94.26 -68.13 0.82 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1380 ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' 1376 ' ' PHE . 19.7 p 38.75 33.67 0.08 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.006 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.147 -179.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -134.98 154.11 51.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -129.94 170.41 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.031 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -129.58 103.85 7.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.329 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.0 t -88.39 112.32 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.823 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -100.83 121.29 41.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.311 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.434 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 67.3 p -85.17 145.05 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.435 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.546 HD12 HD11 ' A' 1370 ' ' LEU . 94.5 mt -68.27 -5.21 17.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.118 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -83.27 -20.93 33.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.952 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.0 51.45 0.64 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.635 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -144.06 145.0 31.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 55.5 m -110.09 130.06 55.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -119.88 129.69 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.398 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 31.4 m -109.34 112.84 25.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.672 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.468 HD13 HG12 ' B' ' 30' ' ' ILE . 37.5 mt -116.42 171.43 7.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.138 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -129.3 117.75 21.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.629 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.48 -171.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.38 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -128.28 172.12 11.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.1 m -75.97 -0.01 20.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.1 m -123.5 -6.71 8.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.81 145.0 56.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 35.4 p -88.32 178.42 6.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.415 HD13 HD11 ' B' ' 50' ' ' LEU . 47.7 mm -79.98 -54.69 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.253 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.81 -33.94 57.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -58.52 -43.54 89.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.028 0.442 . . . . 0.0 109.831 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.28 -40.17 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.371 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.547 ' HB3' HE21 ' B' ' 41' ' ' GLN . 31.2 mmtp -59.55 -39.61 84.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.017 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -65.56 -40.05 92.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.245 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -60.33 -40.71 91.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.457 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.468 HG12 HD13 ' B' ' 15' ' ' LEU . 66.3 mt -70.13 -34.81 60.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -68.59 -32.62 72.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.063 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -86.64 -23.25 25.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.525 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -90.46 -60.96 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.682 0.277 . . . . 0.0 111.373 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -89.88 -75.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.136 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.27 11.41 0.48 Allowed Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.361 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.484 HG23 ' HB3' ' B' ' 41' ' ' GLN . 3.1 mp -69.06 134.26 89.66 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 117.093 0.447 . . . . 0.0 110.081 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.09 126.05 19.12 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.537 2.158 . . . . 0.0 112.355 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.43 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 12.4 Cg_exo -70.76 -30.15 18.03 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.814 2.343 . . . . 0.0 112.683 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.59 -0.28 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.392 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -123.26 -35.55 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.513 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.547 HE21 ' HB3' ' B' ' 27' ' ' LYS . 14.1 pt20 -71.28 138.81 49.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.961 0.41 . . . . 0.0 111.298 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -138.91 133.36 31.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.443 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.531 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 77.7 mt -98.57 113.89 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.285 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.526 HD11 HD23 ' A' 1378 ' ' LEU . 16.8 mt -108.24 141.99 22.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.808 0.337 . . . . 0.0 110.804 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -133.22 129.32 37.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.991 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 18.92 4.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.338 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.87 -20.95 48.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.518 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -97.12 116.15 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.731 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.563 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -61.76 155.62 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 -179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.415 HD11 HD13 ' B' ' 23' ' ' ILE . 55.7 mt -99.68 110.61 23.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.456 ' H ' ' HH ' ' B' ' 59' ' ' TYR . 8.4 mm-40 -76.88 163.05 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.95 0.405 . . . . 0.0 111.503 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -82.87 147.01 28.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.686 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.53 -26.67 22.93 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.252 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.561 HH21 ' HB3' ' B' ' 58' ' ' ASP . 51.7 mtp180 -96.61 155.67 16.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.737 0.303 . . . . 0.0 110.695 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 65.0 p -93.25 -177.2 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.484 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 24.5 mt -77.62 -12.98 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.202 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -81.76 -25.23 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.247 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.561 ' HB3' HH21 ' B' ' 54' ' ' ARG . 15.0 m-20 -70.79 -16.72 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.331 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.456 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 88.0 m-85 -117.1 2.0 12.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.161 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 56.17 89.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -122.43 121.89 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.094 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.11 -172.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.84 145.8 25.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 61.13 21.73 12.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -58.75 170.07 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.3 m -119.16 109.44 15.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.343 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.47 ' HB3' HD23 ' B' ' 43' ' ' LEU . 3.7 mm? -92.65 150.02 20.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.685 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -102.15 129.72 48.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.434 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 0.9 OUTLIER -99.6 103.77 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.436 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.527 HG23 ' HB ' ' A' 1374 ' ' THR . 9.3 p -117.13 148.92 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.37 -179.378 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.679 0.276 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.3 t -77.06 -32.73 57.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.346 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1344 ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' 1348 ' ' GLU . 2.2 mm? -59.53 -45.28 92.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.079 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.62 85.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.7 t -59.94 -39.76 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.258 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.82 -24.15 48.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1348 ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' 1344 ' ' LEU . 0.6 OUTLIER -81.15 -26.53 36.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.419 HD12 HD11 ' A' 1363 ' ' LEU . 56.8 mt -85.34 -27.47 25.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 83.5 p -63.18 -11.81 23.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -109.04 28.83 10.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.636 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1352 ' ' MET . . . . . 0.437 ' HE2' HG23 ' A' 1374 ' ' THR . 91.0 mtp -118.42 -37.56 3.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.606 0.241 . . . . 0.0 111.087 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 158.47 13.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.892 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.71 171.6 13.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 74.5 p -85.8 -179.13 6.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.459 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.9 -39.12 66.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.25 -55.3 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -56.27 -30.36 62.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.489 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -73.38 -42.14 62.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.883 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -59.69 -48.17 82.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -65.67 -47.59 75.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.686 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.6 -49.69 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.381 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.62 ' HA ' ' HB3' ' A' 1373 ' ' ALA . 11.6 mt -63.95 -59.79 4.06 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.516 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -45.5 -64.0 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.536 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -50.8 -53.48 31.6 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 124.106 0.879 . . . . 0.0 111.862 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' 1367 ' ' ASN . 4.4 p -61.18 -7.58 2.85 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.601 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' 1366 ' ' CYS . 13.1 m120 93.2 52.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.228 0.955 . . . . 0.0 109.572 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.5 m95 37.58 77.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.682 -1.145 . . . . 0.0 112.038 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.459 ' O ' HD23 ' A' 1363 ' ' LEU . 43.2 m-20 -152.49 136.05 16.05 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.244 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1370 ' ' LEU . . . . . 0.434 HD12 HD12 ' B' ' 8' ' ' LEU . 15.4 mt -60.46 -78.1 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.17 -40.43 15.86 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.541 ' HA ' ' OD1' ' A' 1375 ' ' ASN . . . -61.57 -50.72 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.095 0.474 . . . . 0.0 110.777 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1373 ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' A' 1363 ' ' LEU . . . -63.27 -30.68 71.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.443 ' O ' ' HG ' ' A' 1378 ' ' LEU . 36.9 m -71.64 -55.65 7.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.607 ' HA ' HD12 ' A' 1378 ' ' LEU . 0.4 OUTLIER -56.23 -30.45 62.38 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1376 ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' 1380 ' ' SER . 88.0 t80 -68.1 -57.5 5.98 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.808 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 60.7 mt -51.51 -34.61 36.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' 1375 ' ' ASN . 88.0 mt -57.01 -55.93 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -94.78 -68.28 0.81 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1380 ' ' SER . . . . . 0.483 ' HB3' ' O ' ' A' 1376 ' ' PHE . 25.0 p 41.37 -158.74 0.01 OUTLIER 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.851 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.015 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.76 0.314 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -125.83 146.99 49.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.521 ' HB ' HD23 ' B' ' 67' ' ' LEU . 47.6 pt -128.38 159.97 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.985 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -123.46 105.87 10.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.449 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 11.0 t -71.84 148.4 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -135.86 107.11 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.311 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.428 HG23 ' HB3' ' B' ' 69' ' ' LEU . 66.8 p -86.38 147.44 26.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.434 HD12 HD12 ' A' 1370 ' ' LEU . 3.5 mm? -62.45 -21.93 65.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.721 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.5 p -67.9 -28.75 67.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.0 35.4 1.83 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -120.54 129.64 53.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.769 0.318 . . . . 0.0 110.744 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.7 m -105.32 127.79 53.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.449 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 28.4 mt -114.07 145.75 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -121.56 123.98 43.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.907 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.413 ' HG ' ' HZ3' ' B' ' 33' ' ' LYS . 0.9 OUTLIER -137.03 165.73 25.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.156 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -123.72 105.82 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.458 HG12 ' HZ2' ' B' ' 29' ' ' LYS . 24.0 m -109.49 -170.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.441 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -115.57 169.87 8.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.727 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.2 t -75.23 -32.75 61.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -95.92 10.47 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.72 143.14 53.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -92.65 155.94 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.3 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.483 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.5 mm -62.33 -45.73 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.188 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -52.21 -36.17 51.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.757 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.494 HD22 ' HD2' ' B' ' 29' ' ' LYS . 5.9 t30 -70.32 -35.54 73.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.829 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.89 -55.07 23.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.666 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 3.8 mptp? -55.07 -38.38 67.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.434 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -62.43 -49.91 73.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.494 ' HD2' HD22 ' B' ' 25' ' ' ASN . 61.8 mtpt -56.5 -46.24 80.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.48 -40.58 86.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.335 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -62.45 -39.04 92.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -88.53 -6.64 57.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.581 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.413 ' HZ3' ' HG ' ' B' ' 15' ' ' LEU . 83.8 tttt -106.45 -68.59 0.87 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.648 0.261 . . . . 0.0 111.585 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -78.31 -67.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.002 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.3 1.24 0.57 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.307 -0.949 . . . . 0.0 113.38 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.477 HG21 ' HB3' ' B' ' 41' ' ' GLN . 4.0 mp -81.67 125.59 77.83 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 117.145 0.473 . . . . 0.0 110.583 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HG2' ' NE2' ' B' ' 40' ' ' GLN . 32.2 Cg_exo -58.86 143.49 99.29 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.462 2.108 . . . . 0.0 112.554 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.544 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 11.6 Cg_exo -71.24 -43.76 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.018 2.478 . . . . 0.0 112.644 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.28 8.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.525 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.559 ' O ' ' HB3' ' B' ' 71' ' ' LEU . 37.2 mt-30 -131.6 -20.1 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.273 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.649 ' HG3' ' HG3' ' B' ' 27' ' ' LYS . 29.0 pt20 -105.04 137.83 42.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 111.84 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.469 ' NE ' HD22 ' B' ' 71' ' ' LEU . 99.7 mtt180 -127.95 148.77 50.52 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.732 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.666 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 1.9 tp -97.72 132.59 43.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.044 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.513 HD12 HG12 ' B' ' 70' ' ' VAL . 71.3 mt -126.92 139.89 50.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 111.334 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -142.77 131.14 22.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.465 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.32 14.37 7.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.263 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.57 18.5 54.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.661 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -126.31 138.31 53.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.835 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -75.02 128.01 34.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.792 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' B' ' 43' ' ' LEU . 37.6 mt -86.63 105.58 16.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.746 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.65 153.74 27.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.483 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.6 m-20 -84.93 4.22 34.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.8 -4.93 58.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -128.89 177.37 7.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 46.4 p -103.82 -177.51 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.193 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.409 ' HB3' HD13 ' B' ' 61' ' ' ILE . 62.5 mt -69.03 -36.26 77.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.3 m -66.81 -23.78 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -64.36 -27.89 69.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.215 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -110.76 2.62 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.056 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 59.66 96.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.278 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' B' ' 56' ' ' LEU . 74.7 mt -124.08 129.07 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -77.89 -177.83 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.981 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -89.66 146.32 24.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.756 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 60.45 22.18 11.82 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.861 0.363 . . . . 0.0 110.575 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.4 m -65.97 170.38 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.983 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.1 m -112.36 104.99 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.392 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.521 HD23 ' HB ' ' B' ' 3' ' ' ILE . 4.4 mm? -89.74 154.13 20.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.49 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.4 m-70 -115.11 141.6 47.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.996 0.426 . . . . 0.0 111.711 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.428 ' HB3' HG23 ' B' ' 7' ' ' THR . 8.6 tp -104.31 104.78 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.693 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.64 HG22 ' H ' ' B' ' 71' ' ' LEU . 1.3 p -111.95 172.3 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.777 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.64 ' H ' HG22 ' B' ' 70' ' ' VAL . 11.8 tp . . . . . 0 N--CA 1.466 0.337 0 O-C-N 124.114 0.884 . . . . 0.0 111.03 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1342 ' ' LYS . . . . . 0.414 ' O ' HG21 ' A' 1346 ' ' VAL . 60.9 mttp . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.614 0.245 . . . . 0.0 111.399 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 49.3 m -79.4 -31.68 42.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.155 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.5 -44.88 85.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.3 94.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 110.755 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1346 ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' 1342 ' ' LYS . 64.0 t -61.86 -36.88 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.8 -30.44 45.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -74.85 -24.59 58.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.132 0.492 . . . . 0.0 110.096 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.436 HD13 HD12 ' A' 1363 ' ' LEU . 81.0 mt -87.4 -14.87 39.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 70.1 m -69.8 -33.5 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.677 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -78.09 -10.27 86.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.472 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 94.2 mmm -70.92 -62.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 168.85 14.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.65 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1354 ' ' PHE . . . . . 0.407 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -137.76 159.82 40.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.85 0.357 . . . . 0.0 111.094 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.0 p -72.83 178.57 4.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.678 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -73.61 -30.04 62.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.422 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.21 -55.96 20.65 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.836 0.35 . . . . 0.0 110.773 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1358 ' ' GLU . . . . . 0.445 ' HA ' ' ND2' ' A' 1361 ' ' ASN . 17.9 mm-40 -56.62 -37.3 70.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -72.31 -28.91 63.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.611 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -66.76 -53.46 32.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1361 ' ' ASN . . . . . 0.445 ' ND2' ' HA ' ' A' 1358 ' ' GLU . 4.3 p30 -66.28 -43.63 85.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 0.0 110.481 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.05 65.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.314 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.436 HD12 HD13 ' A' 1349 ' ' LEU . 11.7 mt -61.63 -60.0 4.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.574 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -46.01 -64.9 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.868 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -49.31 -56.13 10.51 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 124.019 0.825 . . . . 0.0 111.867 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' 1367 ' ' ASN . 76.5 m -54.27 -15.05 1.36 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.496 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' 1366 ' ' CYS . 14.1 t-20 97.27 49.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.387 1.054 . . . . 0.0 109.179 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.422 ' N ' ' O ' ' A' 1363 ' ' LEU . 95.4 m95 41.62 78.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.222 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.419 ' O ' HD21 ' A' 1363 ' ' LEU . 43.5 m-20 -145.18 137.23 25.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -73.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.966 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1371 ' ' GLU . . . . . 0.455 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.2 OUTLIER -49.45 -43.54 44.99 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.455 ' N ' ' HG2' ' A' 1371 ' ' GLU . . . -60.97 -40.53 93.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.828 0.347 . . . . 0.0 111.237 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -63.37 -55.09 27.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.62 HG22 HG22 ' B' ' 70' ' ' VAL . 26.9 m -54.83 -43.35 72.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.036 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.457 ' HA ' HD13 ' A' 1378 ' ' LEU . 2.8 t30 -63.48 -29.99 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.043 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1376 ' ' PHE . . . . . 0.464 ' HA ' ' HB2' ' A' 1380 ' ' SER . 38.5 t80 -68.32 -37.4 80.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.19 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.6 mm? -74.79 -24.8 58.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' 1375 ' ' ASN . 38.3 mt -80.64 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.448 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -88.78 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.416 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1380 ' ' SER . . . . . 0.464 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 57.9 m -57.47 174.91 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.962 0.411 . . . . 0.0 111.315 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.16 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.516 ' HG2' ' HZ1' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.66 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -107.26 168.38 9.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -143.36 141.69 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.924 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -108.96 93.16 4.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' B' ' 67' ' ' LEU . 70.8 t -90.86 104.78 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -89.06 143.47 26.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 70.7 p -103.76 159.34 15.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.518 HD13 HG13 ' B' ' 70' ' ' VAL . 92.0 mt -69.25 -15.45 63.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -77.65 -12.87 60.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.227 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.53 48.88 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.414 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -132.01 151.67 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.772 0.32 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -115.09 96.98 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.485 HD13 HG23 ' B' ' 30' ' ' ILE . 56.9 mt -85.28 110.15 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 74.5 m -99.6 121.79 41.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.29 172.86 11.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -127.86 112.47 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.39 -169.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.74 169.4 13.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.816 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 55.7 m -69.19 -24.29 64.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.9 m -97.54 10.08 40.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.55 152.8 31.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.9 p -107.75 163.43 13.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.406 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 44.9 mm -61.33 -47.34 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -50.47 -44.11 55.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.31 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -59.39 -45.97 89.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.32 -40.84 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.503 ' HE3' ' HB2' ' B' ' 43' ' ' LEU . 5.8 mmmm -61.51 -45.83 92.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.602 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 68.4 m -60.75 -42.61 97.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -58.81 -47.22 85.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.86 0.362 . . . . 0.0 110.524 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.485 HG23 HD13 ' B' ' 13' ' ' ILE . 59.5 mt -65.16 -30.96 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.562 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -73.93 -28.36 61.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.114 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -87.32 -22.25 25.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.056 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -87.89 -67.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.18 -69.96 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.635 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.14 3.57 0.88 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.569 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.83 113.24 7.2 Favored Pre-proline 0 CA--C 1.533 0.295 0 O-C-N 122.982 -0.128 . . . . 0.0 110.8 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.51 155.14 5.46 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.558 2.172 . . . . 0.0 112.739 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.691 ' HA ' HE21 ' B' ' 41' ' ' GLN . 61.3 Cg_endo -72.69 -41.97 1.36 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.694 2.262 . . . . 0.0 112.631 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.37 9.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.199 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.537 ' HG3' ' HG ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER -126.12 -45.03 1.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.543 -179.517 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.691 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.8 pt20 -66.33 134.68 53.09 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.448 HH12 ' HB2' ' A' 1375 ' ' ASN . 78.1 mtp180 -129.1 121.96 28.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.361 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.503 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 6.3 tp -89.19 120.77 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.959 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.8 mt -127.35 143.49 40.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.419 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -149.87 128.33 12.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.759 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.22 22.65 12.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.85 -7.4 80.2 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.651 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -91.16 139.82 30.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 111.058 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.24 107.43 15.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.403 ' HB2' ' HB3' ' B' ' 43' ' ' LEU . 85.8 mt -67.0 104.92 1.49 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -78.44 138.67 38.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -75.27 113.61 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.63 -33.22 0.9 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -103.99 169.1 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -83.02 175.35 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.457 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.437 ' HB3' HD12 ' B' ' 61' ' ' ILE . 40.8 mt -71.6 -31.54 67.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.034 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -68.25 -25.69 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.44 -33.75 74.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -105.58 8.63 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.01 91.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.248 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.437 HD12 ' HB3' ' B' ' 56' ' ' LEU . 64.7 mt -127.31 119.58 52.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -75.27 -173.81 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.516 ' HZ1' ' HG2' ' B' ' 1' ' ' MET . 4.8 mptp? -87.22 142.03 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 58.28 24.34 11.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -59.95 169.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.1 m -109.46 106.88 16.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.289 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.432 ' HB2' HG22 ' B' ' 5' ' ' VAL . 7.5 mp -101.39 168.35 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.25 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -127.94 153.22 46.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 111.079 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' B' ' 41' ' ' GLN . 12.8 tp -122.86 114.3 20.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.188 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.62 HG22 HG22 ' A' 1374 ' ' THR . 44.7 t -117.65 155.4 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 111.561 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.537 ' HG ' ' HG3' ' B' ' 40' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.862 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1342 ' ' LYS . . . . . 0.572 ' HZ3' ' HB2' ' A' 1342 ' ' LYS . 9.8 mtmp? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.75 0.309 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 48.9 m -81.27 -29.92 34.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.012 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.02 -38.89 77.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.756 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.08 90.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 38.8 t -67.96 -32.17 55.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.822 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -74.32 -37.55 63.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.34 -48.12 65.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.09 -38.64 89.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 46.9 t -61.18 -22.54 64.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -98.29 31.35 8.12 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.283 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 85.9 mtp -122.46 -68.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 0.0 110.97 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -167.15 11.74 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.762 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.47 171.09 14.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.796 0.332 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.3 p -88.13 177.29 6.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -73.11 -27.0 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.95 -60.5 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -55.89 -33.65 64.81 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.694 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.94 -43.72 78.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -60.16 -53.35 58.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.105 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -59.31 -43.85 92.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.15 77.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.366 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' 1368 ' ' TRP . 5.5 mt -61.37 -59.52 5.15 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 111.077 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.59 -64.25 0.77 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.889 -178.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 99.8 mttt -51.12 -52.66 41.67 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.882 0.739 . . . . 0.0 111.64 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' 1367 ' ' ASN . 95.8 m -60.27 -9.07 2.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.694 0.283 . . . . 0.0 110.325 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' 1366 ' ' CYS . 18.1 t-20 92.53 53.63 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.142 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.487 ' N ' ' O ' ' A' 1363 ' ' LEU . 72.0 m95 39.65 77.44 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.647 -178.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.426 ' O ' HD21 ' A' 1363 ' ' LEU . 37.1 m-20 -146.09 126.49 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.103 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1370 ' ' LEU . . . . . 0.478 ' HG ' HD12 ' B' ' 8' ' ' LEU . 31.0 tp -61.48 -65.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -37.69 46.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.667 0.27 . . . . 0.0 111.072 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1372 ' ' ALA . . . . . . . . . . . . . . . -69.64 -35.67 75.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.424 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1373 ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -62.36 -49.84 73.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.167 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.537 HG22 HG21 ' B' ' 70' ' ' VAL . 31.8 m -58.84 -44.77 91.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.455 ' HA ' HD13 ' A' 1378 ' ' LEU . 1.6 t30 -60.95 -26.07 67.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.072 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1376 ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' 1373 ' ' ALA . 45.3 t80 -70.52 -49.62 46.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.116 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.68 -19.99 65.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' 1375 ' ' ASN . 76.5 mt -82.06 -61.14 1.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.13 -63.82 1.17 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.389 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 44.3 m -52.35 161.57 0.64 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.081 -179.865 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -128.85 157.01 42.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 111.032 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -131.69 137.87 54.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -102.77 94.45 5.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 70.9 t -75.07 147.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.955 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -135.48 109.98 8.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.105 0.479 . . . . 0.0 111.385 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.43 HG21 HD23 ' B' ' 69' ' ' LEU . 66.5 p -82.44 155.49 24.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.293 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.478 HD12 ' HG ' ' A' 1370 ' ' LEU . 90.2 mt -77.6 6.9 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -104.12 6.92 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.8 54.65 4.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -143.87 125.15 14.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 111.074 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -96.95 136.69 37.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.753 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.521 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 36.1 mt -128.58 98.97 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.147 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 34.1 m -87.57 112.73 22.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.401 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.509 HD11 ' HE3' ' B' ' 29' ' ' LYS . 42.4 tp -112.31 152.18 28.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.229 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -113.28 110.6 20.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.39 -170.84 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -123.28 -178.64 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -75.95 -25.76 56.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -90.87 11.24 23.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.074 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.16 145.45 28.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.708 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.425 ' O ' HG21 ' B' ' 26' ' ' VAL . 71.3 p -108.81 158.07 17.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.88 0.371 . . . . 0.0 111.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.71 -44.03 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.374 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -56.26 -32.66 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.049 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -78.85 -34.22 45.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.425 HG21 ' O ' ' B' ' 22' ' ' THR . 91.6 t -58.8 -53.74 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.337 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.451 ' HZ1' ' N ' ' B' ' 43' ' ' LEU . 5.5 mptp? -53.31 -38.58 63.31 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.2 m -64.09 -47.66 79.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.405 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.509 ' HE3' HD11 ' B' ' 15' ' ' LEU . 29.7 mtpp -60.22 -36.71 78.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.543 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.7 mt -72.56 -29.03 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.68 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -72.44 -36.78 68.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.747 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.52 -9.36 54.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -98.65 -36.93 9.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.068 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -116.28 -76.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.016 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.7 0.51 0.27 Allowed Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.163 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.423 ' N ' HD12 ' B' ' 36' ' ' ILE . 3.1 mp -66.45 133.63 94.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.833 0.317 . . . . 0.0 110.415 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.22 131.07 43.6 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.282 1.988 . . . . 0.0 112.046 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.53 ' HA ' HE21 ' B' ' 41' ' ' GLN . 70.1 Cg_endo -74.84 -42.59 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.572 2.181 . . . . 0.0 112.894 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -71.42 4.61 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.578 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.4 ' HG2' ' HB3' ' B' ' 71' ' ' LEU . 52.5 tt0 -124.79 -38.31 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.572 ' HB2' HD13 ' B' ' 69' ' ' LEU . 28.9 pt20 -75.4 143.79 42.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -140.93 141.87 34.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.501 ' HB3' HD11 ' B' ' 50' ' ' LEU . 6.2 mt -86.18 144.44 27.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.477 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.534 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 55.1 mt -135.96 130.84 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.783 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -142.32 130.52 22.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.861 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.39 19.44 7.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.16 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.0 25.76 39.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.57 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -128.27 144.83 51.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.4 ' HB2' HD21 ' A' 1378 ' ' LEU . 0.0 OUTLIER -84.22 108.83 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.265 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.501 HD11 ' HB3' ' B' ' 43' ' ' LEU . 23.9 mt -64.86 99.51 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.119 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.32 146.28 29.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.46 129.76 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.782 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.43 -22.45 11.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.57 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -91.69 160.41 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 30.4 p -83.95 165.0 19.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.12 -32.89 74.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.6 p -66.79 -21.62 66.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.19 -6.93 26.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.457 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.9 m-85 -126.88 11.38 7.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.12 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.5 m120 58.51 25.66 13.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.232 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.457 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.5 mt -57.2 126.08 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -83.23 171.78 13.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -80.89 141.47 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 58.06 19.9 6.41 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.5 t -71.17 157.09 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.9 m -95.22 121.94 37.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.054 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.78 145.15 39.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.658 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.534 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 19.4 m-70 -95.37 136.02 36.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.572 HD13 ' HB2' ' B' ' 41' ' ' GLN . 43.0 tp -117.7 118.38 31.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.726 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.537 HG21 HG22 ' A' 1374 ' ' THR . 43.8 t -129.62 148.86 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.4 ' HB3' ' HG2' ' B' ' 40' ' ' GLN . 59.7 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.175 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 56.7 mtmt . . . . . 0 CA--C 1.529 0.162 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 60.2 m -74.24 -34.83 63.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 0.0 110.827 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.68 -30.85 71.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.41 71.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 47.5 t -61.82 -35.71 69.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.046 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -74.73 -37.59 62.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -24.84 61.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 110.337 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.46 HD11 HD11 ' A' 1363 ' ' LEU . 81.1 mt -87.23 -30.12 21.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.272 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1350 ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' 1354 ' ' PHE . 47.5 t -66.92 -11.25 55.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.067 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.53 15.22 56.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.705 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1352 ' ' MET . . . . . 0.458 ' HA ' ' NE2' ' B' ' 68' ' ' HIS . 70.4 mtp -102.02 -43.13 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.57 0.224 . . . . 0.0 111.189 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 161.9 6.95 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.849 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1354 ' ' PHE . . . . . 0.44 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -133.6 151.58 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.7 p -62.98 174.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.491 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.74 -27.71 63.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.45 -56.2 15.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.654 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1358 ' ' GLU . . . . . 0.417 ' HB3' HD12 ' A' 1377 ' ' LEU . 10.6 mm-40 -54.09 -37.79 64.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -70.88 -36.55 72.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -62.68 -56.74 14.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -58.85 -48.55 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.32 64.0 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.539 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.46 HD11 HD11 ' A' 1349 ' ' LEU . 11.1 mt -57.87 -59.23 5.56 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.415 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -46.04 -64.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.041 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -50.71 -52.74 37.43 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 124.173 0.92 . . . . 0.0 111.765 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.441 ' O ' ' CB ' ' A' 1367 ' ' ASN . 94.1 m -56.09 -14.09 2.43 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' 1366 ' ' CYS . 0.2 OUTLIER 94.48 51.45 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 108.832 179.276 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1368 ' ' TRP . . . . . . . . . . . . . 82.0 m95 40.05 80.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.317 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.535 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 16.3 t70 -148.13 138.42 22.75 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.706 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.9 -75.76 0.07 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -48.8 -38.71 22.81 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.535 ' HB1' ' HB3' ' A' 1369 ' ' ASP . . . -63.33 -42.69 98.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.814 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.15 73.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.718 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.46 ' O ' ' HG ' ' A' 1378 ' ' LEU . 76.3 m -59.54 -51.26 70.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.981 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.534 ' HA ' HD11 ' A' 1378 ' ' LEU . 2.9 t30 -55.95 -28.35 56.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.16 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 20.9 t80 -66.78 -59.76 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.124 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1377 ' ' LEU . . . . . 0.417 HD12 ' HB3' ' A' 1358 ' ' GLU . 4.2 mm? -53.49 -19.59 3.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.628 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' 1375 ' ' ASN . 17.1 mt -90.82 -46.65 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.658 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -93.4 -53.03 4.24 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 19.3 p -43.14 -41.14 3.56 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.539 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.104 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptm . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.777 0.323 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -131.75 159.96 36.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.498 ' HB ' HD12 ' B' ' 67' ' ' LEU . 38.8 pt -137.32 154.32 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.988 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -111.55 95.2 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.523 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 73.4 t -68.66 131.93 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -121.83 101.91 7.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.532 HG23 ' HB3' ' B' ' 69' ' ' LEU . 72.3 p -84.35 152.71 23.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.402 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.66 -17.89 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -75.51 -4.21 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.735 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.82 49.37 4.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.416 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 39.1 ttmt -128.46 133.37 48.5 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 111.102 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.8 m -107.83 98.16 7.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.502 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 13.7 mt -96.13 113.18 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.602 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 38.4 m -90.24 123.2 33.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.583 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.5 tp -121.6 145.68 47.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.357 . . . . 0.0 111.355 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -113.76 100.48 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.885 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.7 m -115.45 -174.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.707 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -110.76 175.05 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.4 p -76.2 -32.47 59.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 44.3 t -79.48 -3.47 46.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.01 140.16 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 77.4 p -96.19 170.54 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.38 -48.73 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -51.74 -42.34 62.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.373 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.03 -48.29 82.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -52.81 -45.62 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -56.12 -41.11 74.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.37 . . . . 0.0 110.717 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.1 m -63.74 -50.6 68.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.094 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -53.68 -41.58 67.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -73.52 -28.69 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.958 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -65.27 -42.4 93.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -86.51 -14.69 42.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.126 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.67 -53.29 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -103.65 -65.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.15 6.1 0.68 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.766 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.454 HG21 ' HB3' ' B' ' 41' ' ' GLN . 42.0 mm -64.14 125.79 88.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.596 0.198 . . . . 0.0 110.77 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.499 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 13.2 Cg_endo -56.98 149.07 64.23 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.38 2.054 . . . . 0.0 112.209 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.639 ' HA ' HE21 ' B' ' 41' ' ' GLN . 90.2 Cg_endo -77.98 -42.5 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.679 2.253 . . . . 0.0 112.983 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -70.58 4.01 2.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.499 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 78.2 mm-40 -121.15 -54.58 2.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.639 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.3 pt20 -53.18 135.18 38.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.676 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -138.39 120.05 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.714 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.519 ' HB3' HD12 ' B' ' 50' ' ' LEU . 3.5 mt -80.05 135.29 36.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.103 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.477 HG12 ' NE2' ' B' ' 49' ' ' GLN . 32.9 mt -135.95 141.43 41.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 120.921 0.391 . . . . 0.0 111.129 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -156.13 139.94 16.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.756 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.15 14.03 7.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.266 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.58 3.91 77.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.921 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -121.24 141.32 51.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.477 ' NE2' HG12 ' B' ' 44' ' ' ILE . 7.2 tp-100 -69.98 131.41 44.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.995 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' B' ' 43' ' ' LEU . 65.7 mt -83.15 99.39 9.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.465 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.93 159.44 7.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.046 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -87.39 145.95 26.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.038 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.22 -42.57 1.86 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -74.16 162.96 28.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 46.1 p -91.97 -177.9 4.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.543 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' B' ' 61' ' ' ILE . 54.5 mt -76.21 -33.71 59.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.139 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -68.36 -21.44 64.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.002 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -68.31 -14.95 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -120.59 16.99 12.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.328 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.4 m120 58.71 21.6 9.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.367 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' B' ' 56' ' ' LEU . 71.7 mt -59.18 106.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.0 110.973 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -69.84 -173.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.0 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -84.02 149.93 25.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 43.78 29.24 0.28 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.498 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.1 m -68.74 159.62 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.451 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 35.3 m -95.06 107.98 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 111.246 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.498 HD12 ' HB ' ' B' ' 3' ' ' ILE . 7.4 mp -101.96 165.25 11.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.498 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.458 ' NE2' ' HA ' ' A' 1352 ' ' MET . 48.5 m-70 -122.32 157.1 32.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.992 0.425 . . . . 0.0 111.209 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' B' ' 41' ' ' GLN . 2.4 tm? -139.05 103.85 4.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.518 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.34 144.44 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.648 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 C--O 1.231 0.127 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 38.9 t -83.46 -29.19 28.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.427 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.93 -46.33 89.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -59.39 -45.61 91.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 42.0 t -62.13 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.279 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.07 -27.57 65.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -81.15 -27.61 35.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.137 0.494 . . . . 0.0 110.029 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.477 HD13 HD12 ' A' 1363 ' ' LEU . 74.6 mt -83.48 -20.75 33.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.011 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 96.3 p -70.34 -26.97 64.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -83.93 -2.01 89.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.306 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.0 mmm -79.32 -61.46 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 171.32 13.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.701 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.18 161.89 35.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.96 0.41 . . . . 0.0 111.215 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.3 p -69.62 175.77 3.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.642 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.69 -26.11 60.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.202 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -59.33 3.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -54.77 -35.99 64.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.3 76.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.0 -53.28 59.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.808 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -62.41 -46.24 89.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.759 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.0 75.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.527 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.477 HD12 HD13 ' A' 1349 ' ' LEU . 12.1 mt -63.62 -59.25 4.86 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.134 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -45.7 -64.25 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.649 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1365 ' ' LYS . . . . . 0.638 ' HB3' ' HZ3' ' A' 1365 ' ' LYS . 4.1 mmmp? -50.54 -53.94 26.33 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.913 0.758 . . . . 0.0 111.794 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.489 ' O ' ' HB2' ' A' 1367 ' ' ASN . 1.8 p -58.0 -10.22 1.72 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.459 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' 1366 ' ' CYS . 11.8 m120 93.83 49.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 O-C-N 124.284 0.99 . . . . 0.0 109.334 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' 1363 ' ' LEU . 79.2 m95 39.28 72.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.434 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.431 ' O ' HD21 ' A' 1363 ' ' LEU . 41.7 m-20 -140.48 142.86 35.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.691 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -77.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1371 ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -47.87 -40.46 21.65 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.736 -178.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' 1369 ' ' ASP . . . -61.93 -41.97 98.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.048 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1373 ' ' ALA . . . . . 0.423 ' HB3' HD21 ' A' 1363 ' ' LEU . . . -61.36 -53.27 58.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.797 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.557 HG23 HG21 ' B' ' 70' ' ' VAL . 40.3 m -54.14 -43.18 70.3 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.549 ' HA ' HD11 ' A' 1378 ' ' LEU . 2.8 t30 -64.2 -28.81 70.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.01 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 28.0 t80 -67.65 -39.36 84.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.937 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.34 -23.54 61.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' 1375 ' ' ASN . 26.1 mt -82.12 -63.8 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.181 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.3 -66.82 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.409 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 74.1 m -57.23 171.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.099 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -101.35 144.35 30.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 pt -131.04 151.58 36.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -122.82 101.36 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.154 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.517 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.4 t -87.53 140.02 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.483 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -127.8 133.02 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.413 . . . . 0.0 111.732 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.408 HG22 ' HB3' ' B' ' 69' ' ' LEU . 56.6 p -101.37 146.89 27.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.21 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.483 ' H ' HD21 ' B' ' 8' ' ' LEU . 2.6 mm? -58.52 -28.15 65.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.693 0.282 . . . . 0.0 111.289 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.9 m -63.56 -27.4 69.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.371 . . . . 0.0 110.716 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.36 59.42 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.303 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -141.58 141.17 33.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.036 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.7 m -104.99 144.56 31.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.517 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 28.9 mt -136.55 104.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.231 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -92.27 119.94 32.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.658 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 tp -127.83 146.76 50.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 111.573 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -101.56 95.66 6.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.239 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.3 m -109.17 -170.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.485 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -132.75 163.28 29.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.668 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.2 t -76.04 -18.05 59.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.114 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.0 t -93.91 3.14 55.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -86.68 166.69 15.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.609 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 70.2 p -107.72 171.53 7.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.925 0.393 . . . . 0.0 111.345 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.424 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 44.2 mm -69.79 -53.97 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.269 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.443 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 15.8 t70 -49.25 -32.81 11.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.58 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -70.48 -41.35 72.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.5 t -61.88 -40.8 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.514 ' HE3' ' HG ' ' B' ' 43' ' ' LEU . 1.8 mmmm -58.39 -45.16 88.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.681 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -63.04 -46.88 85.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.663 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -55.28 -38.49 68.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.835 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.55 -31.52 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.82 -37.81 85.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.29 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -82.16 -18.21 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.948 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -85.37 -66.91 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.58 -71.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.009 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.08 26.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.798 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.0 mm -89.76 130.88 41.4 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.493 0.147 . . . . 0.0 110.627 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -63.66 135.97 51.58 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.394 2.062 . . . . 0.0 112.39 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.451 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 7.4 Cg_exo -72.54 -33.15 8.93 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.785 2.324 . . . . 0.0 112.429 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.03 -6.16 21.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.249 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -117.34 -60.87 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.147 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.0 pt20 -50.74 143.26 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.746 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -138.68 125.0 20.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.337 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.514 ' HG ' ' HE3' ' B' ' 27' ' ' LYS . 22.7 mt -79.4 131.51 36.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.169 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.471 HD12 HD22 ' A' 1378 ' ' LEU . 54.6 mt -133.28 144.89 34.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.998 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -157.72 140.79 15.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.89 19.31 10.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.331 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.04 1.61 89.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.556 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -119.06 134.54 55.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.734 0.302 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.5 147.09 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.659 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -98.65 122.07 41.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.077 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.69 151.22 34.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 17.4 m-20 -84.65 15.93 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.358 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.92 1.86 21.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.693 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -132.58 170.88 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.5 p -89.94 -175.33 4.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.606 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.3 mt -78.07 -31.87 50.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.257 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 61.3 m -70.52 -24.68 62.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.611 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.9 -19.45 65.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.23 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -115.03 9.1 15.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.012 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 57.95 91.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -129.54 113.65 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.822 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -77.13 -179.53 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -79.67 152.47 29.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 58.65 19.69 7.01 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 79.8 p -63.82 159.39 19.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -107.08 105.16 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -91.36 156.27 17.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.666 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -112.82 145.81 39.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.408 ' HB3' HG22 ' B' ' 7' ' ' THR . 10.1 tp -119.87 108.95 14.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.425 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.557 HG21 HG23 ' A' 1374 ' ' THR . 19.3 t -117.32 134.67 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.902 0.382 . . . . 0.0 111.468 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.406 HD21 ' N ' ' B' ' 71' ' ' LEU . 3.7 mm? . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 53.5 mtpt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.974 0.416 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 38.8 t -83.49 -35.46 24.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.053 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 48.1 mt -57.4 -45.57 84.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.212 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.02 78.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.946 0.403 . . . . 0.0 110.939 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.2 t -57.32 -43.82 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.294 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -64.25 -48.9 73.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -26.2 66.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.851 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.437 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 76.8 mt -86.59 -29.68 22.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 48.0 t -67.15 -10.22 47.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -107.68 36.03 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.838 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 42.8 ttm -124.85 -37.39 2.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.31 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 159.85 14.38 0.04 OUTLIER Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.817 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1354 ' ' PHE . . . . . 0.437 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -144.51 164.8 29.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 111.088 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 69.9 p -82.33 179.83 7.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.677 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -70.41 -29.24 65.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.54 -57.49 9.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -54.46 -42.13 70.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.45 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.96 -30.69 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -64.24 -51.79 61.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.738 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -63.31 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.4 -52.19 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.237 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' 1368 ' ' TRP . 14.7 mt -59.79 -60.17 4.26 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.498 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -45.5 -64.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.192 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1365 ' ' LYS . . . . . 0.404 ' C ' ' H ' ' A' 1367 ' ' ASN . 67.0 mttm -51.95 -52.35 50.82 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.9 0.75 . . . . 0.0 111.533 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.521 ' O ' ' HB2' ' A' 1367 ' ' ASN . 94.5 m -61.3 -6.39 2.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.593 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' 1366 ' ' CYS . 48.7 m-80 90.77 53.98 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.259 0.975 . . . . 0.0 109.342 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' 1363 ' ' LEU . 80.3 m95 40.98 37.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.935 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.425 ' O ' HD21 ' A' 1363 ' ' LEU . 28.3 m-20 -100.63 128.96 46.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.273 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.71 -71.58 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -38.45 16.11 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.61 0.243 . . . . 0.0 111.329 -179.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1372 ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.18 91.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.045 0.45 . . . . 0.0 110.308 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.65 89.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.347 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.518 ' HB ' HG11 ' B' ' 70' ' ' VAL . 38.0 m -58.12 -49.02 78.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.456 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.2 t30 -58.99 -26.58 64.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.074 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1376 ' ' PHE . . . . . 0.475 ' HA ' ' HB2' ' A' 1380 ' ' SER . 32.1 t80 -70.22 -42.52 72.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.966 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.12 -18.74 62.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.146 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.57 HD21 ' HB2' ' B' ' 49' ' ' GLN . 47.8 mt -87.36 -62.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.816 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -93.42 -58.14 2.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1380 ' ' SER . . . . . 0.475 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 61.5 m -54.67 -11.66 0.62 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.876 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.048 179.695 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.516 ' HG3' ' HG3' ' B' ' 63' ' ' LYS . 27.2 ttt . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -122.1 163.38 19.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -137.49 145.97 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.75 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.95 96.7 6.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.375 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 69.7 t -74.55 128.56 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.614 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -105.12 95.08 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.624 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.556 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 45.4 p -75.29 143.39 42.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.683 0.278 . . . . 0.0 110.3 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.71 -7.61 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.024 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.4 p -85.06 -4.11 59.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.54 45.27 5.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.336 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' B' ' 12' ' ' THR . 7.2 tmtm? -137.35 127.92 26.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.012 0.434 . . . . 0.0 110.969 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.443 ' N ' ' HD3' ' B' ' 11' ' ' LYS . 70.2 m -101.08 107.12 18.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.635 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 55.9 mt -94.87 119.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.476 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -99.0 112.92 24.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.373 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -118.94 142.63 47.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.756 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -96.27 105.89 18.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.946 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 22.8 m -123.73 -176.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.428 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.55 159.01 35.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.665 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -72.62 -2.04 18.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.4 m -95.76 -18.1 20.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.27 141.81 45.31 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 49.7 p -80.71 162.64 24.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.77 -51.0 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -57.38 -35.87 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.288 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -63.07 -39.13 93.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.0 -49.28 83.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.313 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -52.18 -45.52 65.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.4 t -61.39 -47.67 84.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.528 ' HZ3' ' HB3' ' B' ' 29' ' ' LYS . 7.2 mtpm? -57.67 -34.37 69.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.12 -40.07 74.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.627 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.2 -37.3 84.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.556 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -80.84 -17.26 51.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -84.88 -68.11 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.39 -74.97 0.51 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.4 31.6 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.108 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.434 ' N ' HD12 ' B' ' 36' ' ' ILE . 4.4 mp -104.27 113.31 65.31 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.811 0.305 . . . . 0.0 110.701 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 51.1 Cg_exo -53.83 150.26 30.43 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.371 2.047 . . . . 0.0 112.257 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.09 -43.16 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.721 2.281 . . . . 0.0 112.985 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.93 8.38 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.98 0.419 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.671 ' O ' ' HB3' ' B' ' 71' ' ' LEU . 14.8 mm100 -123.18 -10.64 8.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.999 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.518 ' HB2' HD22 ' B' ' 69' ' ' LEU . 28.1 pt20 -126.87 138.39 53.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.185 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -127.46 131.87 50.11 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.381 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.5 mt -81.43 141.31 34.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.079 0.466 . . . . 0.0 112.033 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.547 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 78.7 mt -132.97 137.33 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.09 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.95 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.5 ' HB2' HD23 ' B' ' 67' ' ' LEU . 72.2 t80 -147.56 129.61 15.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.81 23.26 13.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.208 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.41 16.6 77.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.56 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -122.63 127.76 49.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.57 ' HB2' HD21 ' A' 1378 ' ' LEU . 6.9 tp-100 -72.11 125.45 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.789 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.81 104.64 5.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.538 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.73 137.24 55.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.62 123.56 22.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.993 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.83 -42.03 1.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.79 178.94 8.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 110.765 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 55.5 p -101.54 -176.27 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 mt -80.67 -11.86 59.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.05 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -81.14 -23.56 38.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.452 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.2 -6.46 34.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.71 0.29 . . . . 0.0 111.41 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.405 ' HB2' HG13 ' B' ' 61' ' ' ILE . 87.5 m-85 -128.02 13.8 6.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.5 m120 57.61 19.98 5.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.451 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.405 HG13 ' HB2' ' B' ' 59' ' ' TYR . 72.5 mt -59.69 104.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.847 0.356 . . . . 0.0 110.598 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -84.18 -164.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.273 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.516 ' HG3' ' HG3' ' B' ' 1' ' ' MET . 1.5 mptm? -82.07 149.98 27.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 58.82 17.66 5.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.338 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -63.78 134.55 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 93.5 m -86.35 104.96 16.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' B' ' 45' ' ' PHE . 29.0 mt -95.86 172.1 8.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.484 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.547 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 75.7 m-70 -124.99 157.3 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.796 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.556 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 1.2 tm? -123.29 108.02 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.928 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.547 ' O ' ' HB2' ' B' ' 71' ' ' LEU . 39.6 t -142.96 139.97 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.671 ' HB3' ' O ' ' B' ' 40' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.392 0 O-C-N 123.862 0.726 . . . . 0.0 109.835 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 59.5 mttp . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.686 0.279 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1343 ' ' SER . . . . . 0.539 ' HA ' HG22 ' A' 1346 ' ' VAL . 63.6 m -64.64 -42.04 95.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.379 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 75.8 mt -54.91 -38.01 67.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -69.48 -41.09 76.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1346 ' ' VAL . . . . . 0.539 HG22 ' HA ' ' A' 1343 ' ' SER . 0.7 OUTLIER -66.03 -32.89 60.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.405 -179.306 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -70.67 -47.28 60.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.306 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.86 -42.03 78.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.389 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1349 ' ' LEU . . . . . 0.472 HD11 HD11 ' A' 1363 ' ' LEU . 79.1 mt -71.12 -20.34 62.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.962 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1350 ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' 1354 ' ' PHE . 35.9 t -77.53 -10.82 59.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.632 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -96.22 -0.95 61.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1352 ' ' MET . . . . . 0.409 ' HE2' HG22 ' A' 1374 ' ' THR . 25.9 mtt -92.95 -75.83 0.48 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.756 0.313 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -163.99 8.7 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1354 ' ' PHE . . . . . 0.462 ' HB2' ' HB2' ' A' 1358 ' ' GLU . 0.3 OUTLIER -138.28 126.24 22.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.874 0.369 . . . . 0.0 110.898 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.8 p -59.42 178.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.264 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1356 ' ' GLU . . . . . 0.498 ' HA ' HG13 ' A' 1346 ' ' VAL . 1.1 mp0 -62.72 -16.0 55.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.531 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.95 -63.81 1.1 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.024 0.44 . . . . 0.0 110.236 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1358 ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' A' 1354 ' ' PHE . 40.7 mt-10 -56.17 -32.21 64.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.906 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1359 ' ' ALA . . . . . 0.457 ' HB1' HG13 ' A' 1346 ' ' VAL . . . -74.52 -36.31 63.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.048 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -57.11 -45.34 83.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.062 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -69.95 -51.28 34.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.89 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -52.35 -57.68 9.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.212 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1363 ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' 1368 ' ' TRP . 8.7 mt -58.79 -59.58 5.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.581 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -45.57 -64.59 0.7 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.345 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 65.7 tttm -50.65 -52.09 42.97 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 123.992 0.807 . . . . 0.0 111.542 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1366 ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' 1367 ' ' ASN . 4.7 t -61.91 -10.05 8.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.481 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1367 ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' 1366 ' ' CYS . 0.2 OUTLIER 95.05 52.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.301 1.0 . . . . 0.0 109.166 179.468 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1368 ' ' TRP . . . . . 0.505 ' N ' ' O ' ' A' 1363 ' ' LEU . 82.0 m95 36.24 80.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.485 -1.234 . . . . 0.0 112.015 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1369 ' ' ASP . . . . . 0.453 ' O ' HD21 ' A' 1363 ' ' LEU . 39.6 m-20 -142.28 120.43 12.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.223 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1370 ' ' LEU . . . . . 0.582 HD13 HD22 ' B' ' 8' ' ' LEU . 3.1 tm? -52.01 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1371 ' ' GLU . . . . . 0.464 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -49.89 -47.25 52.11 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1372 ' ' ALA . . . . . 0.464 ' N ' ' HG2' ' A' 1371 ' ' GLU . . . -57.9 -40.54 80.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 0.0 111.027 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1373 ' ' ALA . . . . . 0.426 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -65.45 -41.98 92.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.954 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1374 ' ' THR . . . . . 0.596 ' HB ' HG23 ' B' ' 70' ' ' VAL . 41.7 m -55.08 -45.67 75.4 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1375 ' ' ASN . . . . . 0.555 ' HA ' HD11 ' A' 1378 ' ' LEU . 0.4 OUTLIER -65.89 -27.65 68.36 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.823 178.576 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1376 ' ' PHE . . . . . 0.422 ' HA ' ' HB2' ' A' 1380 ' ' SER . 33.3 t80 -65.16 -37.34 87.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.117 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.1 -27.57 57.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1378 ' ' LEU . . . . . 0.555 HD11 ' HA ' ' A' 1375 ' ' ASN . 26.9 mt -76.97 -57.96 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -93.07 -66.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.48 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1380 ' ' SER . . . . . 0.422 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 29.1 m -55.21 171.15 0.17 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.88 0.372 . . . . 0.0 111.346 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.114 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.46 ' HE1' ' HB3' ' B' ' 63' ' ' LYS . 23.3 ptm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.794 0.331 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -121.76 139.92 52.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.216 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.4 pt -113.15 152.39 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -117.42 99.54 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.381 . . . . 0.0 111.33 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.539 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 75.1 t -76.57 140.06 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.672 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -107.62 110.67 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.171 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.4 p -82.67 156.3 23.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.624 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.582 HD22 HD13 ' A' 1370 ' ' LEU . 88.5 mt -79.31 2.03 22.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -97.37 -10.98 24.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.922 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.59 46.0 2.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.56 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -136.1 145.19 45.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.942 0.401 . . . . 0.0 111.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 93.1 m -108.02 106.37 16.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.793 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 76.3 mt -85.82 120.43 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.244 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -102.68 113.49 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.75 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . 0.414 ' HG ' HG23 ' B' ' 13' ' ' ILE . 96.8 mt -122.5 137.32 54.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.301 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.73 102.05 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.254 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -110.96 -172.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.36 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -126.24 173.62 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 65.7 m -76.15 -5.99 49.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -111.63 -6.21 14.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.126 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.16 148.42 40.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.019 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 42.0 p -107.11 162.19 14.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -57.64 -49.4 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -51.45 -32.75 28.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.629 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -70.72 -46.66 62.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 111.051 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.4 t -52.19 -50.57 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.422 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.537 ' HB3' HE21 ' B' ' 41' ' ' GLN . 4.4 mmmm -51.66 -44.83 63.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.632 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -59.5 -45.37 91.89 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.27 -38.43 80.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.13 -43.75 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -62.52 -36.6 83.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.438 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -79.95 -10.65 59.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.174 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.483 ' HG2' HG22 ' B' ' 13' ' ' ILE . 57.8 tptt -90.11 -68.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.39 -70.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.784 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.85 37.0 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.757 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.464 HD13 ' N ' ' B' ' 36' ' ' ILE . 3.5 mp -85.76 130.25 51.5 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.5 115.06 2.21 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.679 2.252 . . . . 0.0 112.919 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.461 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 27.9 Cg_exo -63.05 -21.55 73.03 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.775 2.317 . . . . 0.0 112.646 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.13 -3.7 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.43 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -125.9 -49.99 1.59 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.649 0.261 . . . . 0.0 111.295 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.537 HE21 ' HB3' ' B' ' 27' ' ' LYS . 10.9 pt20 -56.22 143.05 35.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.06 0.457 . . . . 0.0 111.613 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -140.19 132.19 27.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.207 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.469 ' HB3' ' HB2' ' B' ' 50' ' ' LEU . 0.2 OUTLIER -78.2 140.05 38.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.689 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.425 HD13 HD12 ' A' 1378 ' ' LEU . 52.6 mt -135.65 143.72 35.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.321 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -152.16 125.51 8.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.395 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 19.24 9.95 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.317 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.37 3.9 71.6 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.606 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -101.02 130.39 47.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.34 . . . . 0.0 111.034 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.7 98.68 4.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.44 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' B' ' 43' ' ' LEU . 26.1 mt -62.47 106.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.85 176.37 6.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.4 162.09 24.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.618 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.89 -42.54 2.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.192 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -77.13 164.38 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.58 -176.42 3.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' B' ' 61' ' ' ILE . 6.9 mp -71.52 -21.42 61.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.842 0.353 . . . . 0.0 111.069 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.1 t -75.14 -22.6 58.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.9 -13.88 59.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.861 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.466 ' HB2' HG13 ' B' ' 61' ' ' ILE . 82.7 m-85 -126.49 5.14 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 57.76 30.14 18.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.466 HG13 ' HB2' ' B' ' 59' ' ' TYR . 60.6 mt -62.16 115.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -86.18 -176.51 5.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.46 ' HB3' ' HE1' ' B' ' 1' ' ' MET . 0.0 OUTLIER -95.92 159.4 14.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 59.83 17.47 6.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.808 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.5 m -82.96 166.36 18.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.546 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 70.6 m -113.24 102.51 10.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.045 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 25.1 mt -86.49 -179.65 6.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.331 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -131.34 158.77 39.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.237 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' B' ' 41' ' ' GLN . 17.5 tp -136.28 122.0 19.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.53 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.596 HG23 ' HB ' ' A' 1374 ' ' THR . 14.6 p -130.96 148.03 33.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.918 0.389 . . . . 0.0 111.538 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 121.074 0.464 . . . . 0.0 111.333 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.952 0.406 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.65 137.86 70.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.655 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -62.92 -49.42 5.15 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.419 2.08 . . . . 0.0 112.643 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -49.11 -48.7 44.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.617 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 37.6 t -79.1 -31.06 44.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 111.195 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.88 -42.29 89.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.96 74.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.774 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 41.6 t -60.7 -32.26 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.188 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -68.92 -50.17 51.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.052 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.07 -39.07 91.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.918 0.389 . . . . 0.0 110.393 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.431 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 81.9 mt -70.05 -29.18 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.326 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1350 ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' 1354 ' ' PHE . 46.0 t -69.84 -19.27 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.997 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.03 34.95 5.28 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.538 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 77.8 mtp -121.91 -40.47 2.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 162.66 8.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.055 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1354 ' ' PHE . . . . . 0.431 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -141.1 156.02 46.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.349 . . . . 0.0 111.0 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 56.0 p -70.16 175.5 4.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.704 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -73.04 -24.55 60.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -58.61 5.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.512 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -56.27 -40.21 73.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.706 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.01 -33.03 74.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.732 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -64.03 -54.28 36.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -59.81 -47.47 85.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.405 . . . . 0.0 110.757 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.43 -50.99 64.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.365 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' 1368 ' ' TRP . 10.1 mt -59.4 -59.31 5.66 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.523 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -45.34 -64.39 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.163 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -51.14 -50.88 58.04 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 124.05 0.844 . . . . 0.0 111.876 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.571 ' O ' ' HB2' ' A' 1367 ' ' ASN . 96.8 m -63.75 -7.42 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.823 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.571 ' HB2' ' O ' ' A' 1366 ' ' CYS . 0.8 OUTLIER 93.07 52.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.4 1.062 . . . . 0.0 109.311 179.419 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' 1363 ' ' LEU . 70.5 m95 44.17 31.28 0.53 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.951 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.403 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 16.0 m-20 -93.75 127.59 39.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.783 0.325 . . . . 0.0 110.556 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.7 -64.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.105 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1371 ' ' GLU . . . . . 0.553 ' HG2' HD12 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -52.38 -41.83 63.47 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.772 0.32 . . . . 0.0 110.853 -179.526 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.534 ' N ' ' HG3' ' A' 1371 ' ' GLU . . . -65.75 -34.25 77.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.432 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -62.71 -53.41 54.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.115 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.591 HG21 HG23 ' B' ' 70' ' ' VAL . 17.0 m -57.22 -41.84 80.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.569 ' HA ' HD11 ' A' 1378 ' ' LEU . 5.1 t30 -61.05 -29.02 69.48 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.913 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1376 ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' 1380 ' ' SER . 32.7 t80 -69.07 -48.67 62.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.582 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.57 -20.06 65.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.569 HD11 ' HA ' ' A' 1375 ' ' ASN . 57.4 mt -81.04 -61.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.399 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -93.34 -64.18 1.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.526 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1380 ' ' SER . . . . . 0.425 ' HB2' ' O ' ' A' 1376 ' ' PHE . 28.0 m -48.46 129.88 16.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.461 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.091 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.719 0.295 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -117.17 154.74 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.183 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.426 ' HB ' HD22 ' B' ' 67' ' ' LEU . 44.5 pt -124.31 144.47 34.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.877 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -107.29 100.07 9.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.37 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.516 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 55.7 t -78.67 142.12 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.523 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -122.54 113.26 19.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.458 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.439 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 61.4 p -83.37 154.5 24.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.87 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 66.7 mt -81.66 16.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 0.0 111.211 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 7.8 m -111.54 -11.47 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.796 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.16 33.23 4.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.414 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.592 ' HZ1' ' HB3' ' B' ' 11' ' ' LYS . 8.0 ttpm? -121.27 134.98 55.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.977 0.418 . . . . 0.0 111.209 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 42.7 m -105.0 136.08 45.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.516 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 78.2 mt -126.23 125.84 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 111.44 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.8 m -106.5 113.24 26.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.375 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.48 147.72 35.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.006 0.431 . . . . 0.0 111.495 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -106.06 112.86 26.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.619 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -125.76 176.49 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 111.416 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -115.18 177.85 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.557 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.8 t -76.39 1.35 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.776 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 86.7 p -120.66 4.78 10.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.009 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.54 165.89 11.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 35.3 p -130.2 160.58 33.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 39.9 mm -57.68 -54.02 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -47.24 -37.7 10.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.594 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -68.39 -40.69 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 111.057 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 t -58.11 -43.79 86.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.013 0.435 . . . . 0.0 110.938 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.503 ' HB3' HE21 ' B' ' 41' ' ' GLN . 4.6 mmmm -59.44 -47.88 83.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.994 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 98.5 p -59.14 -41.73 89.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.03 -47.24 83.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.51 -39.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.438 ' HB2' ' HG3' ' B' ' 38' ' ' PRO . 6.7 tp60 -59.82 -47.0 87.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.22 -15.76 59.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -77.93 -67.64 0.71 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.531 ' HG2' ' HE3' ' B' ' 11' ' ' LYS . 2.3 mp0 -104.08 -61.94 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.092 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.44 10.38 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.771 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.38 121.35 59.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.565 0.182 . . . . 0.0 110.638 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.437 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 88.6 Cg_exo -47.28 120.35 4.3 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.644 2.23 . . . . 0.0 112.654 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.438 ' HG3' ' HB2' ' B' ' 31' ' ' GLN . 20.7 Cg_exo -66.26 -32.17 42.54 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.716 2.278 . . . . 0.0 112.688 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -73.62 -6.29 45.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.328 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.437 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 18.0 mp0 -114.64 -53.71 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.473 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.503 HE21 ' HB3' ' B' ' 27' ' ' LYS . 13.9 pt20 -52.98 142.95 18.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.61 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.426 ' HD2' HE22 ' B' ' 49' ' ' GLN . 83.0 mtm180 -140.28 133.83 30.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.513 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.459 ' HB3' HD12 ' B' ' 50' ' ' LEU . 0.3 OUTLIER -80.12 136.28 36.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 20.3 mt -133.8 147.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.086 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -152.0 125.84 9.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.86 20.61 5.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.69 -26.71 22.05 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.386 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -85.86 126.34 33.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.485 ' HB2' HD21 ' A' 1378 ' ' LEU . 35.5 tt0 -72.87 128.61 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.936 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' B' ' 43' ' ' LEU . 52.5 mt -73.32 107.52 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.24 129.9 41.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.32 138.35 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.44 -48.15 0.97 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.659 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -70.24 166.67 19.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.872 0.367 . . . . 0.0 111.207 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 66.5 p -91.02 -173.31 3.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.288 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.454 ' HA ' HD11 ' B' ' 61' ' ' ILE . 41.7 mt -86.76 -16.96 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -79.61 -21.83 44.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.15 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -72.55 -14.78 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.304 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.519 ' HB2' HG13 ' B' ' 61' ' ' ILE . 78.3 m-85 -118.33 13.34 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.27 22.51 7.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.519 HG13 ' HB2' ' B' ' 59' ' ' TYR . 90.7 mt -56.61 106.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.928 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -74.65 -167.52 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.218 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.492 ' HD3' ' N ' ' B' ' 63' ' ' LYS . 3.6 mppt? -88.6 147.16 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.981 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 56.94 23.05 7.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -60.77 148.4 39.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.01 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.5 m -89.36 96.3 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.931 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.426 HD22 ' HB ' ' B' ' 3' ' ' ILE . 4.0 mm? -90.73 155.63 18.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.082 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.543 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 24.8 m-70 -120.14 151.86 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.455 HD12 ' HB2' ' B' ' 41' ' ' GLN . 14.8 tp -129.94 106.61 8.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.772 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.591 HG23 HG21 ' A' 1374 ' ' THR . 60.5 t -119.67 137.95 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.229 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.57 158.58 33.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.047 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -73.29 -29.92 63.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.602 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.553 HD12 ' HG2' ' A' 1371 ' ' GLU . 7.1 tp 64.61 163.19 0.13 Allowed 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.148 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -120.55 131.77 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.792 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.94 19.73 0.97 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.508 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.752 0.311 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1340 ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' 1341 ' ' PRO . 5.1 t -86.97 144.62 36.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.365 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1341 ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' 1340 ' ' THR . 14.8 Cg_exo -71.36 -28.73 17.79 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.751 2.3 . . . . 0.0 112.046 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 59.6 mttp -61.87 -28.99 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.706 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 89.1 p -83.83 -46.05 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.758 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 91.5 mt -56.7 -32.92 65.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1345 ' ' ALA . . . . . 0.422 ' O ' ' HG ' ' A' 1349 ' ' LEU . . . -66.83 -51.14 59.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.722 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 57.1 t -63.69 -32.4 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.12 -52.54 16.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.11 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -39.38 78.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.308 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' 1345 ' ' ALA . 52.1 mt -68.53 -34.3 75.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.2 t -63.25 -24.14 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -98.88 40.21 2.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 69.0 mtp -129.26 -43.14 1.31 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.745 0.307 . . . . 0.0 111.041 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 165.85 5.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.711 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.83 165.79 24.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 81.5 p -80.02 179.8 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.17 -36.72 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -61.67 -60.42 3.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -50.75 -33.78 24.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.631 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -70.34 -40.26 74.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.742 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -61.9 -50.84 70.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -61.69 -44.96 95.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.51 45.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.301 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.465 HD22 ' O ' ' A' 1369 ' ' ASP . 11.9 mt -56.33 -58.69 6.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.242 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.18 -64.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.853 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -50.6 -53.94 26.64 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.928 0.768 . . . . 0.0 111.685 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' 1367 ' ' ASN . 97.8 m -58.77 -9.95 2.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.573 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' A' 1366 ' ' CYS . 11.7 m120 93.16 53.03 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.309 1.006 . . . . 0.0 109.17 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.3 m95 39.35 81.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.724 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.487 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 24.4 t70 -155.9 134.83 11.98 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.448 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1370 ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' 1370 ' ' LEU . 9.2 mt -62.66 -74.77 0.09 Allowed 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -46.17 -36.64 6.17 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.672 0.272 . . . . 0.0 111.528 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -67.36 -42.97 82.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.866 0.365 . . . . 0.0 110.435 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -65.15 -52.74 53.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.637 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.476 ' O ' ' HG ' ' A' 1378 ' ' LEU . 50.2 m -54.43 -50.06 68.52 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.552 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.0 t30 -57.71 -31.15 66.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.071 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1376 ' ' PHE . . . . . 0.513 ' O ' ' HB3' ' A' 1380 ' ' SER . 46.5 t80 -66.48 -53.97 29.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.302 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.1 -25.37 4.99 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.901 0.382 . . . . 0.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' 1375 ' ' ASN . 28.7 mt -76.09 -52.28 10.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.462 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 13.9 t70 -94.12 -68.06 0.82 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.676 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1380 ' ' SER . . . . . 0.513 ' HB3' ' O ' ' A' 1376 ' ' PHE . 52.7 p 33.53 83.44 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.117 0.567 . . . . 0.0 111.867 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.155 -179.867 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.451 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 14.7 tpt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -126.21 144.44 50.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 pt -130.42 164.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.746 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -123.02 102.33 7.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 111.193 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.05 125.72 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.634 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -123.64 135.74 54.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 111.625 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.8 p -96.59 159.09 15.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.583 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.552 HD22 HG21 ' B' ' 70' ' ' VAL . 3.8 mm? -65.82 -21.31 66.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.755 0.312 . . . . 0.0 111.2 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -72.39 -3.55 24.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.081 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.54 58.98 2.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.411 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -139.37 124.62 19.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -96.41 140.9 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 21.8 mt -136.93 139.89 43.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.255 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.2 m -110.32 129.88 55.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -131.04 147.11 52.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 111.343 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -109.63 96.2 6.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.054 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.451 ' O ' ' HB3' ' B' ' 1' ' ' MET . 33.6 m -108.11 -162.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.375 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.436 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 42.6 mt-10 -124.36 154.29 40.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p -69.01 -21.28 64.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 85.5 p -104.22 2.58 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.436 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 17.8 t70 -67.73 153.93 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 67.8 p -84.23 177.59 8.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.284 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -80.27 -54.08 11.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -55.22 -37.93 67.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.321 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.606 HD22 ' HE2' ' B' ' 29' ' ' LYS . 8.1 t30 -56.75 -40.86 76.55 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.111 0.481 . . . . 0.0 110.204 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.85 -36.2 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.413 179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.506 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 33.7 mmtp -59.86 -42.46 93.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.23 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -64.64 -45.99 84.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.367 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.606 ' HE2' HD22 ' B' ' 25' ' ' ASN . 66.0 mttm -55.44 -39.92 70.89 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.644 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.2 mt -69.68 -37.62 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.793 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -57.67 -50.49 73.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.17 -23.22 63.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -64.19 0.93 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -102.77 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.44 0.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.695 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.408 HG21 ' HB3' ' B' ' 41' ' ' GLN . 35.2 mm -58.51 130.86 85.05 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.0 Cg_endo -58.76 139.22 89.85 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.406 2.071 . . . . 0.0 112.487 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.443 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 5.0 Cg_exo -77.72 -32.37 2.78 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.875 2.384 . . . . 0.0 112.438 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -76.42 8.23 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.588 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -134.33 -47.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.154 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.463 ' HB2' HD12 ' B' ' 69' ' ' LEU . 10.4 pt20 -57.82 145.43 35.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.997 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.446 HH11 HE22 ' B' ' 49' ' ' GLN . 97.1 mtt180 -142.46 142.74 32.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.601 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.506 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 80.5 mt -97.94 129.46 44.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.409 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.517 HD12 HD21 ' A' 1378 ' ' LEU . 66.0 mt -121.01 137.44 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -140.44 129.7 23.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.03 15.12 4.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.263 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.63 -21.41 45.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.714 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -90.33 132.07 35.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 111.083 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.446 HE22 HH11 ' B' ' 42' ' ' ARG . 35.4 tt0 -78.44 131.88 37.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.18 130.84 35.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -89.37 143.51 26.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.17 148.0 49.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.62 -28.86 13.52 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.594 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -87.71 -179.54 6.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 60.5 p -112.07 -174.52 2.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.9 mt -81.66 -15.29 55.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.143 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.1 p -81.32 -28.78 34.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.542 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -70.45 -4.54 23.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.533 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -131.11 2.03 4.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.971 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 m120 56.4 89.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.942 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.9 mt -123.41 115.42 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -73.94 179.12 4.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.426 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -77.59 152.2 34.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 55.65 24.13 6.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.01 0.433 . . . . 0.0 110.654 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.9 p -59.8 160.51 7.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.092 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 40.8 m -107.64 104.37 13.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.406 ' HB3' HD22 ' B' ' 43' ' ' LEU . 4.6 mm? -98.0 147.07 24.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -108.12 137.74 45.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.463 HD12 ' HB2' ' B' ' 41' ' ' GLN . 14.3 tp -107.92 114.24 28.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.389 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.552 HG21 HD22 ' B' ' 8' ' ' LEU . 38.3 t -122.86 148.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 111.353 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 tp -82.47 136.79 34.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -68.2 -37.3 80.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.183 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 49.8 mt 60.13 -177.32 0.1 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.963 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 59.13 96.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.54 27.53 7.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.541 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.558 179.891 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1339 ' ' THR . . . . . 0.487 ' H1 ' ' HG ' ' A' 1344 ' ' LEU . 41.2 p . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.902 0.382 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.38 161.66 61.36 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.215 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.08 -26.57 36.71 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.071 1.848 . . . . 0.0 112.426 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -89.48 -28.72 19.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.3 t -83.63 -42.46 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1344 ' ' LEU . . . . . 0.487 ' HG ' ' H1 ' ' A' 1339 ' ' THR . 44.4 mt -62.72 -27.65 69.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -69.57 -50.7 42.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 45.9 t -62.64 -35.83 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.36 -46.37 73.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.768 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -30.82 71.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.468 HD13 HD11 ' A' 1363 ' ' LEU . 79.4 mt -80.49 -23.98 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.004 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 43.8 t -69.08 -25.24 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -86.52 -4.04 83.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.242 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 84.0 mmm -74.61 -67.59 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 179.52 16.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.695 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.09 168.35 20.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.6 p -75.04 174.08 9.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.499 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -73.22 -24.82 60.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.76 -53.89 19.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -58.26 -36.64 73.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.62 68.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.783 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -61.41 -49.14 78.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -66.19 -42.13 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.772 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.57 75.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.449 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.493 ' O ' ' N ' ' A' 1368 ' ' TRP . 6.5 mt -63.37 -59.43 4.7 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.916 0.388 . . . . 0.0 110.949 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -45.34 -63.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.804 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 51.5 tptt -51.27 -53.03 39.45 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.853 0.721 . . . . 0.0 111.773 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' A' 1367 ' ' ASN . 4.9 p -61.32 -8.56 3.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.516 0.198 . . . . 0.0 110.505 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' 1366 ' ' CYS . 7.4 t30 95.03 52.83 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.275 0.984 . . . . 0.0 109.358 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.493 ' N ' ' O ' ' A' 1363 ' ' LEU . 80.1 m95 37.07 72.21 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.965 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 40.5 m-20 -138.78 124.55 19.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.81 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1370 ' ' LEU . . . . . 0.51 ' HG ' HD23 ' B' ' 8' ' ' LEU . 20.7 tp -53.62 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -40.61 18.13 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.56 ' HA ' ' OD1' ' A' 1375 ' ' ASN . . . -59.95 -47.76 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 0.0 111.093 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1373 ' ' ALA . . . . . 0.465 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -63.68 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.585 HG23 HG21 ' B' ' 70' ' ' VAL . 10.6 m -57.68 -54.36 47.79 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.016 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.56 ' OD1' ' HA ' ' A' 1372 ' ' ALA . 0.7 OUTLIER -64.29 -24.37 67.63 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.088 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 30.3 t80 -64.23 -38.86 92.55 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -74.3 -25.72 59.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.69 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.54 HD11 ' HA ' ' A' 1375 ' ' ASN . 36.0 mt -76.61 -60.08 2.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -92.94 -64.98 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.447 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 28.3 m -55.48 170.11 0.26 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.305 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.165 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.49 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 3.9 ppp? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -109.87 164.81 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.039 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -139.74 155.92 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -114.23 112.7 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.055 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.606 HG12 ' HB2' ' B' ' 69' ' ' LEU . 1.8 t -86.07 109.04 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.646 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -94.18 97.06 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.373 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.457 HG23 HD22 ' B' ' 69' ' ' LEU . 70.5 p -65.07 147.28 53.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.168 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.51 HD23 ' HG ' ' A' 1370 ' ' LEU . 12.2 tp -72.46 5.88 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.954 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 39.2 p -98.96 -24.42 14.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.99 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.7 41.97 0.83 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.694 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -138.49 126.94 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.681 0.277 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.6 m -96.76 138.41 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.467 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.9 mm -120.36 114.46 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.537 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.8 m -87.75 113.61 23.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.276 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 tp -127.09 144.07 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 111.623 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -107.17 120.22 41.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.304 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.42 179.11 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 111.678 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -99.28 175.14 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.75 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.7 p -75.92 -27.17 57.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.8 t -101.13 17.02 23.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.044 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.38 139.26 55.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 74.7 p -87.41 144.66 26.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.488 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.6 mm -56.72 -36.24 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.297 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.442 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 18.5 t70 -63.27 -34.84 78.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.968 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.451 ' ND2' ' HE2' ' B' ' 29' ' ' LYS . 54.1 t30 -72.46 -31.06 65.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.766 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.02 -52.73 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.401 ' NZ ' ' HA ' ' B' ' 42' ' ' ARG . 2.0 mptm? -56.63 -40.45 75.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -59.17 -46.01 89.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.451 ' HE2' ' ND2' ' B' ' 25' ' ' ASN . 68.2 mttm -60.84 -44.21 97.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.25 -36.79 70.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -71.61 -32.47 68.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.842 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -83.35 -4.31 58.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.71 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -104.36 -66.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.39 -75.41 0.49 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.35 26.79 0.05 OUTLIER Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.237 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.437 HD11 ' N ' ' B' ' 36' ' ' ILE . 4.2 mp -82.49 127.98 68.62 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.97 0.385 . . . . 0.0 110.328 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.21 117.72 4.41 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.576 2.184 . . . . 0.0 112.577 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.566 ' HA ' HE21 ' B' ' 41' ' ' GLN . 21.9 Cg_exo -65.27 -28.67 55.4 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.569 2.179 . . . . 0.0 112.44 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.5 -14.72 63.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.259 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -111.54 -59.13 2.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.337 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.566 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.4 pt20 -50.9 142.42 11.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.076 0.465 . . . . 0.0 112.161 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.401 ' HA ' ' NZ ' ' B' ' 27' ' ' LYS . 80.3 mtp180 -142.38 135.87 29.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.361 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -78.82 144.01 35.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.209 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.521 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 87.7 mt -137.17 125.88 34.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.378 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -134.83 137.92 43.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.01 19.84 7.63 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.293 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.11 -17.8 44.62 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.31 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.417 ' HZ2' ' HE1' ' B' ' 59' ' ' TYR . 59.7 tttm -93.02 138.97 31.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.665 0.269 . . . . 0.0 110.776 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -69.14 147.9 50.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.917 0.389 . . . . 0.0 111.292 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -101.19 101.41 12.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.922 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.439 ' HB2' ' HH ' ' B' ' 59' ' ' TYR . 39.4 mt-10 -71.26 151.56 44.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.923 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.488 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 6.0 m-20 -76.46 166.15 23.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.74 -52.45 2.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.548 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -75.57 170.59 15.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.012 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.9 p -103.61 -178.4 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 26.8 mt -71.16 -11.96 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -81.01 -30.68 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.04 -6.12 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.252 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.439 ' HH ' ' HB2' ' B' ' 51' ' ' GLU . 82.8 m-85 -131.72 -1.43 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.967 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 51.1 t30 57.58 93.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.019 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.2 mt -125.52 126.27 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.801 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -74.01 -174.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.334 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.49 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 63.1 mmtt -88.18 142.72 27.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.0 20.93 5.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.261 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.0 m -59.74 149.72 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -100.05 97.92 8.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.411 HD13 ' N ' ' B' ' 67' ' ' LEU . 7.2 mp -90.1 -173.01 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.467 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.521 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 59.4 m-70 -131.83 165.07 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.606 ' HB2' HG12 ' B' ' 5' ' ' VAL . 16.1 tp -135.97 126.1 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.203 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.585 HG21 HG23 ' A' 1374 ' ' THR . 59.8 t -137.28 133.15 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.515 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.2 mp -76.26 158.04 31.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.074 0.464 . . . . 0.0 111.237 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -55.19 -48.19 74.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 19.8 tp 61.8 109.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.011 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -151.73 127.18 10.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.64 2.05 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.561 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.452 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.883 0.373 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 2.6 t -133.03 144.4 52.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.15 -39.49 90.25 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.837 2.358 . . . . 0.0 112.663 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -59.36 -29.5 67.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.1 t -84.06 -42.79 15.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.83 -36.13 76.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.318 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -61.59 -51.7 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.624 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 54.5 t -60.61 -38.05 77.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.64 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.18 -35.2 80.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.193 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1348 ' ' GLU . . . . . 0.473 ' O ' ' HG3' ' A' 1352 ' ' MET . 11.8 mm-40 -64.93 -55.29 20.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.108 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 3.4 mp -53.35 -47.24 69.56 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.354 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.3 t -54.96 -28.32 50.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -96.79 34.77 4.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.673 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1352 ' ' MET . . . . . 0.473 ' HG3' ' O ' ' A' 1348 ' ' GLU . 73.0 mtp -128.67 -65.66 0.87 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.636 0.255 . . . . 0.0 110.918 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -171.0 14.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.963 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.05 178.64 7.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.796 0.332 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 75.5 p -92.69 176.25 6.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.507 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.42 -32.86 64.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.302 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.61 -62.45 1.73 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.71 0.29 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -53.42 -29.66 36.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.229 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -71.36 -40.04 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.567 179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -62.54 -52.48 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -61.79 -42.15 98.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.61 76.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.456 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' 1368 ' ' TRP . 12.3 mt -60.36 -58.89 6.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.92 0.391 . . . . 0.0 111.074 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.5 -64.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.347 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1365 ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' 1367 ' ' ASN . 45.1 mmtm -49.61 -56.29 10.56 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 124.024 0.828 . . . . 0.0 112.035 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' 1367 ' ' ASN . 4.5 p -58.07 -8.94 1.18 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.626 0.251 . . . . 0.0 110.363 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' 1366 ' ' CYS . 70.0 m-20 91.64 55.54 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 124.301 1.001 . . . . 0.0 109.115 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.475 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.1 m95 36.68 82.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.667 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.6 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 27.5 t70 -152.22 127.79 10.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.093 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1370 ' ' LEU . . . . . 0.513 HD13 ' HG ' ' B' ' 8' ' ' LEU . 3.0 tm? -57.31 -73.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -49.2 -38.37 25.81 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -66.45 -35.12 79.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -71.91 -52.89 15.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.543 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.514 ' O ' ' HG ' ' A' 1378 ' ' LEU . 94.5 m -52.49 -39.0 60.74 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.49 ' HA ' HD12 ' A' 1378 ' ' LEU . 5.1 t30 -76.02 -27.61 57.43 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.099 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 37.0 t80 -61.22 -36.26 79.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.772 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.89 -20.79 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.742 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' 1374 ' ' THR . 48.7 mt -79.13 -63.77 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -91.06 -62.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.374 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 44.3 m -58.47 170.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.123 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.061 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -123.23 143.02 50.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.471 ' HB ' HD21 ' B' ' 67' ' ' LEU . 2.7 pp -121.94 155.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.537 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.448 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 91.4 m-85 -119.99 120.56 36.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 111.443 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.443 HG11 ' HB2' ' B' ' 69' ' ' LEU . 2.4 t -82.64 145.53 8.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -127.13 100.99 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.662 0.268 . . . . 0.0 111.705 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.424 HG21 HD23 ' B' ' 69' ' ' LEU . 69.7 p -84.8 148.78 26.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.062 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.513 ' HG ' HD13 ' A' 1370 ' ' LEU . 2.3 mm? -65.56 -15.66 62.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.71 0.29 . . . . 0.0 111.036 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 50.6 p -73.4 -10.21 59.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.807 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.08 45.82 3.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.399 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.573 ' HZ2' HG12 ' B' ' 13' ' ' ILE . 40.2 tttm -129.76 144.09 51.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 111.305 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.0 m -120.97 110.15 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.514 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.573 HG12 ' HZ2' ' B' ' 11' ' ' LYS . 12.1 mt -92.63 149.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.3 m -118.67 112.75 20.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.41 HD22 ' HD2' ' B' ' 29' ' ' LYS . 57.5 tp -126.4 138.6 53.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.095 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -102.82 117.88 35.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.588 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -122.55 177.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.334 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -107.76 168.88 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.765 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.7 p -73.0 -13.44 61.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.792 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -108.25 2.96 23.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.73 155.59 29.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 78.9 p -110.55 148.93 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.222 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -57.36 -42.9 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.41 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 17.9 t70 -56.16 -32.68 64.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.044 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.486 ' ND2' ' HE3' ' B' ' 29' ' ' LYS . 54.9 t30 -76.3 -37.12 57.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.27 -54.71 24.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.44 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 2.1 mptm? -52.53 -43.42 65.14 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 61.7 m -57.9 -44.92 87.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.486 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 99.2 mttt -61.19 -37.88 84.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.93 -35.06 74.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.802 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.41 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 28.6 tt0 -71.48 -36.55 71.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.709 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -81.44 -9.9 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.76 -63.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -94.79 -73.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.57 -7.43 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.937 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.4 mm -60.41 130.37 89.78 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.725 0.262 . . . . 0.0 110.518 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 72.2 Cg_endo -77.59 131.39 11.4 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.422 2.081 . . . . 0.0 113.013 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 28.0 Cg_exo -63.58 -25.63 69.64 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.015 2.477 . . . . 0.0 112.823 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.88 -5.06 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.623 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -130.98 -47.86 1.02 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.602 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.526 ' NE2' HD13 ' B' ' 69' ' ' LEU . 18.0 pt20 -63.65 149.33 46.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.947 0.403 . . . . 0.0 111.431 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -146.18 140.41 26.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.687 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mp -92.23 117.19 29.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.788 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.527 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 4.5 mp -106.75 141.55 21.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.408 ' HB3' HD11 ' B' ' 50' ' ' LEU . 43.8 t80 -146.95 128.32 14.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.355 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.94 11.43 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.436 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.93 14.58 48.76 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.262 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -127.59 134.06 49.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.443 ' HB2' HD23 ' A' 1378 ' ' LEU . 0.1 OUTLIER -73.22 120.63 19.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.477 HD21 HD12 ' B' ' 61' ' ' ILE . 9.3 mp -75.42 108.34 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.97 156.15 21.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.41 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 4.0 p-10 -82.85 149.8 26.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.18 -14.82 58.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.528 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -87.11 170.8 11.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.5 m -99.81 153.77 18.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.26 -36.58 78.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.263 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -67.58 -23.21 65.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.414 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.63 -20.96 66.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.131 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -114.47 4.03 15.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 56.75 93.02 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.477 HD12 HD21 ' B' ' 50' ' ' LEU . 57.0 mt -127.39 136.3 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -91.52 -172.3 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -84.81 147.37 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.29 22.95 12.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -58.51 160.82 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.3 m -110.86 99.17 8.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.365 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.471 HD21 ' HB ' ' B' ' 3' ' ' ILE . 3.7 mm? -86.42 148.3 25.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.663 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.527 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 75.6 m-70 -108.3 128.14 54.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.526 HD13 ' NE2' ' B' ' 41' ' ' GLN . 13.9 tp -97.87 114.45 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.422 HG21 HG21 ' A' 1374 ' ' THR . 42.6 t -127.48 141.21 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.199 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.2 mt -83.69 154.54 23.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -84.97 -24.39 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.243 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.5 mp 63.42 -83.52 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 60.09 17.67 7.01 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.05 14.97 0.62 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.426 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.515 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.649 0.261 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1340 ' ' THR . . . . . 0.436 ' HG1' ' HB3' ' A' 1343 ' ' SER . 4.8 t -57.37 141.38 78.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.176 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1341 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 1340 ' ' THR . 14.1 Cg_endo -93.41 -66.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.156 2.571 . . . . 0.0 112.97 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -53.79 -52.24 60.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.647 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1343 ' ' SER . . . . . 0.436 ' HB3' ' HG1' ' A' 1340 ' ' THR . 43.6 t -60.53 -35.96 77.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.335 . . . . 0.0 110.738 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.27 -37.0 76.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -60.95 -47.77 84.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.948 0.404 . . . . 0.0 110.425 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 41.2 t -67.99 -31.85 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.96 -38.24 76.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.34 -40.92 64.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.681 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.11 -40.22 86.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.052 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 45.2 t -64.17 -15.18 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.284 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.93 15.93 54.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.617 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.1 mtp -102.52 -56.33 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.712 0.291 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -176.25 7.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.675 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.17 177.08 8.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.076 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 80.4 p -87.92 177.01 7.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.358 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.3 -27.07 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.68 -60.76 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -53.31 -35.39 60.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.717 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -71.58 -34.53 70.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.791 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -63.44 -50.09 71.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.653 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -65.62 -45.65 82.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.71 71.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.367 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' 1368 ' ' TRP . 13.7 mt -64.12 -59.6 4.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.439 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -46.36 -64.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 24.4 tptm -50.21 -54.94 17.51 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 124.09 0.869 . . . . 0.0 111.983 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' 1367 ' ' ASN . 3.7 p -57.85 -11.86 2.65 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' 1366 ' ' CYS . 44.9 t-20 96.25 54.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.369 1.043 . . . . 0.0 109.585 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' 1363 ' ' LEU . 71.7 m95 39.51 59.34 1.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.886 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.417 ' HB2' ' HB2' ' A' 1372 ' ' ALA . 32.4 m-20 -128.54 128.55 44.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.949 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.22 -69.89 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1371 ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.1 OUTLIER -52.01 -41.94 62.61 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.046 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.433 ' N ' ' HG2' ' A' 1371 ' ' GLU . . . -64.71 -34.14 77.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.769 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -64.25 -53.49 48.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.607 ' HB ' HG23 ' B' ' 70' ' ' VAL . 90.6 m -55.33 -51.31 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.558 ' HA ' HD12 ' A' 1378 ' ' LEU . 4.9 t30 -57.84 -28.48 64.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.431 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1376 ' ' PHE . . . . . 0.474 ' HA ' ' HB2' ' A' 1380 ' ' SER . 51.4 t80 -70.39 -37.73 74.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.998 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 80.0 mt -76.37 -25.85 55.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.845 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.618 HD23 HE21 ' B' ' 49' ' ' GLN . 45.2 mt -76.54 -61.36 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -92.05 -65.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.372 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1380 ' ' SER . . . . . 0.474 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 5.2 m -53.63 167.19 0.25 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.111 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.595 ' HB3' ' HE3' ' B' ' 63' ' ' LYS . 5.6 ppp? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.716 0.293 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.416 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 4.1 pt20 -130.88 161.11 32.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.415 . . . . 0.0 111.278 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -137.72 163.17 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.736 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -127.99 110.3 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.238 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 73.5 t -82.46 132.26 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.649 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -103.55 101.05 10.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.781 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.411 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 54.6 p -79.97 139.77 36.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.421 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.67 -12.03 30.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.299 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -79.38 -23.76 43.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.79 46.73 0.88 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -138.99 149.39 44.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 111.072 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.7 m -119.41 115.43 24.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.613 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.427 HG23 ' HG ' ' B' ' 15' ' ' LEU . 63.3 mt -95.66 122.97 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.601 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -95.83 115.27 27.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.485 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.427 ' HG ' HG23 ' B' ' 13' ' ' ILE . 61.6 mt -128.9 127.37 41.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.498 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . 0.416 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 40.7 tt0 -99.69 113.58 26.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.32 -168.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.455 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.74 159.29 19.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 55.8 m -72.72 -22.36 60.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.3 m -91.78 3.23 55.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.05 150.28 30.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -87.58 170.05 11.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.369 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.619 HD13 HD21 ' B' ' 50' ' ' LEU . 38.9 mm -72.35 -46.89 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.356 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -51.3 -37.16 45.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.056 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -64.67 -41.93 95.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.44 -53.22 49.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.079 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.526 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -53.2 -42.14 66.0 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.105 0.479 . . . . 0.0 110.257 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -61.64 -42.33 98.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.743 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -59.91 -41.61 92.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.536 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.405 HG12 HD13 ' B' ' 15' ' ' LEU . 72.9 mt -60.99 -45.83 97.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -63.64 -31.23 72.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.859 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.05 -9.81 52.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.165 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -93.91 -68.06 0.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 0.0 110.725 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -94.41 -63.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.133 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.11 8.63 0.24 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.796 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.591 HG22 HD13 ' B' ' 69' ' ' LEU . 2.7 mp -74.05 107.36 3.47 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.687 0.244 . . . . 0.0 110.476 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.433 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 12.3 Cg_endo -55.09 132.88 54.95 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.688 2.258 . . . . 0.0 112.615 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.32 -46.16 6.16 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.785 2.324 . . . . 0.0 112.807 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -64.25 -3.93 3.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.399 . . . . 0.0 111.212 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.639 ' HG3' ' HA ' ' B' ' 72' ' ' ARG . 19.2 tp60 -109.08 -42.44 4.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' B' ' 37' ' ' PRO . 28.5 pt20 -87.94 168.37 12.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.656 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.419 HH21 ' HE3' ' B' ' 27' ' ' LYS . 3.3 tpm_? -145.35 126.66 14.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.945 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.526 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 1.1 mm? -88.6 132.61 34.47 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.57 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 4.3 mp -130.78 144.2 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.075 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.575 ' HB2' HD22 ' B' ' 67' ' ' LEU . 30.8 t80 -144.25 129.51 18.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.7 18.56 6.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.93 -25.53 27.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.349 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.617 ' HB2' ' HZ2' ' B' ' 48' ' ' LYS . 4.5 ttmp? -96.66 120.35 36.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 110.819 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.618 HE21 HD23 ' A' 1378 ' ' LEU . 0.0 OUTLIER -60.32 165.65 3.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.619 HD21 HD13 ' B' ' 23' ' ' ILE . 7.4 mp -103.73 104.35 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.724 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -76.03 136.73 39.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.913 0.387 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.21 109.89 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.998 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.33 -33.55 0.46 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.403 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -105.9 179.35 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.308 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.0 p -98.93 -175.15 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' B' ' 61' ' ' ILE . 57.9 mt -75.64 -12.71 60.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.7 p -81.21 -21.82 39.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.306 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.12 -12.99 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.171 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.49 ' HB2' HG13 ' B' ' 61' ' ' ILE . 78.1 m-85 -114.35 15.0 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.175 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.2 m120 59.88 15.59 5.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.579 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' B' ' 59' ' ' TYR . 76.8 mt -59.57 136.96 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.764 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.24 -170.09 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.595 ' HE3' ' HB3' ' B' ' 1' ' ' MET . 13.2 mptt -67.15 146.94 53.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.985 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 57.61 20.76 6.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -57.6 138.12 55.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 85.8 m -99.13 106.9 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.203 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.575 HD22 ' HB2' ' B' ' 45' ' ' PHE . 20.5 mt -102.41 170.62 7.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -129.41 154.03 47.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.361 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.591 HD13 HG22 ' B' ' 36' ' ' ILE . 5.7 tt -119.61 113.38 20.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.362 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.656 HG22 ' H ' ' B' ' 71' ' ' LEU . 1.7 p -131.24 173.02 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.656 ' H ' HG22 ' B' ' 70' ' ' VAL . 9.0 tp 98.25 -146.61 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 O-C-N 124.203 0.94 . . . . 0.0 110.916 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.639 ' HA ' ' HG3' ' B' ' 40' ' ' GLN . 10.8 mtm180 71.79 89.57 0.1 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.389 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.424 HD22 ' HG3' ' A' 1371 ' ' GLU . 91.6 mt -150.67 166.8 29.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.157 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -76.82 136.18 38.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.841 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.15 98.51 0.11 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.538 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.802 0.334 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1340 ' ' THR . . . . . 0.544 HG22 ' HB2' ' A' 1343 ' ' SER . 2.4 t -63.74 123.03 80.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.456 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.26 -53.41 6.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.755 2.304 . . . . 0.0 113.413 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -42.28 -51.97 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.682 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1343 ' ' SER . . . . . 0.544 ' HB2' HG22 ' A' 1340 ' ' THR . 52.0 m -84.11 -25.72 29.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.567 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 25.1 tp -63.95 -32.65 74.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.064 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -72.33 -47.21 51.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.467 179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1346 ' ' VAL . . . . . 0.401 HG11 ' HB3' ' A' 1359 ' ' ALA . 47.3 t -62.35 -33.28 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.899 179.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -72.27 -45.81 58.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.584 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -34.76 75.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.149 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' 1359 ' ' ALA . 69.3 mt -75.17 -34.8 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.658 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 42.0 t -63.92 -14.88 57.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.105 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -105.67 25.49 24.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.403 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 88.3 mtp -114.67 -50.87 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.975 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 169.83 13.94 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.629 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.29 169.65 17.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.12 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 81.0 p -87.54 175.68 7.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.429 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -73.84 -23.98 59.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.365 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.57 -64.14 0.98 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.942 0.401 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.78 -37.71 66.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.449 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1359 ' ' ALA . . . . . 0.442 ' HB2' HD12 ' A' 1349 ' ' LEU . . . -68.55 -31.92 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -67.92 -54.04 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -60.06 -49.9 75.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.03 72.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' 1373 ' ' ALA . 0.0 OUTLIER -55.77 -61.28 2.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.322 0.582 . . . . 0.0 111.28 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -47.26 -65.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.227 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 60.0 tttm -52.2 -53.2 46.29 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 124.133 0.896 . . . . 0.0 112.005 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.436 ' O ' ' CB ' ' A' 1367 ' ' ASN . 1.6 p -55.01 -15.21 1.89 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' 1366 ' ' CYS . 2.8 t-20 95.76 52.45 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.409 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.456 ' HA ' HD13 ' A' 1363 ' ' LEU . 76.4 m95 37.57 66.96 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.781 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.42 ' HB2' ' HB2' ' A' 1372 ' ' ALA . 23.9 m-20 -134.61 136.02 42.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.455 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1370 ' ' LEU . . . . . 0.469 HD13 HD13 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -57.49 -75.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.137 -178.934 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1371 ' ' GLU . . . . . 0.406 ' OE2' HD23 ' B' ' 73' ' ' LEU . 8.9 pt-20 -50.7 -40.7 54.74 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.42 ' HB2' ' HB2' ' A' 1369 ' ' ASP . . . -62.63 -37.81 87.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.696 0.284 . . . . 0.0 111.38 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1373 ' ' ALA . . . . . 0.597 ' HB3' HD12 ' A' 1363 ' ' LEU . . . -62.91 -54.17 42.77 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.035 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.55 HG22 HG21 ' B' ' 70' ' ' VAL . 78.5 m -57.86 -50.05 74.62 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 3.8 t30 -56.36 -28.8 60.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.139 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1376 ' ' PHE . . . . . 0.415 ' HA ' ' HB2' ' A' 1380 ' ' SER . 39.9 t80 -70.95 -38.79 72.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.924 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.58 -19.84 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.97 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.606 HD21 ' HB2' ' B' ' 49' ' ' GLN . 69.5 mt -86.82 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.6 t70 -83.8 -63.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.022 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1380 ' ' SER . . . . . 0.415 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 28.7 m -61.28 177.45 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.131 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.446 ' HB3' ' HZ1' ' B' ' 63' ' ' LYS . 26.6 ptm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.976 0.417 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -148.11 147.42 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.5 pt -124.02 157.24 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -117.95 120.56 38.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' B' ' 12' ' ' THR . 2.7 t -86.94 118.58 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -101.16 97.15 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.246 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.445 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 28.9 p -73.26 143.95 46.85 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.617 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.469 HD13 HD13 ' A' 1370 ' ' LEU . 92.4 mt -61.66 -16.44 48.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.273 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 70.3 p -79.49 -23.94 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.291 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.42 54.53 0.65 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.356 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.431 ' H ' ' HG1' ' B' ' 7' ' ' THR . 2.0 tmtp? -144.88 125.81 14.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.315 . . . . 0.0 110.483 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 33.4 m -98.68 134.67 41.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.0 mt -114.87 116.92 54.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.9 m -89.18 112.71 23.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.02 136.99 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -102.97 114.89 29.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -125.82 -175.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.344 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -122.38 173.86 7.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.657 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -74.29 -12.5 60.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.5 m -98.41 -10.66 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.46 142.56 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.619 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.527 ' H ' HD21 ' B' ' 25' ' ' ASN . 82.7 p -98.54 170.22 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.984 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.527 HD12 HD22 ' B' ' 50' ' ' LEU . 37.4 mm -65.68 -40.13 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -57.91 -37.87 74.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.527 HD21 ' H ' ' B' ' 22' ' ' THR . 92.7 m-20 -64.19 -34.95 79.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.45 -55.31 25.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.547 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 1.6 mmtp -55.61 -46.11 77.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.907 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.3 m -58.87 -40.67 85.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.22 -43.46 94.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.22 -37.01 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -72.73 -31.0 64.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -88.1 -12.01 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.221 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -105.75 -66.58 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -80.82 -71.21 0.48 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.012 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.29 -3.26 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.766 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.448 ' N ' HD12 ' B' ' 36' ' ' ILE . 3.1 mp -68.96 114.71 24.99 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.527 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 9.5 Cg_endo -51.38 151.07 14.04 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.712 2.275 . . . . 0.0 112.44 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.472 ' HA ' HE21 ' B' ' 41' ' ' GLN . 71.9 Cg_endo -77.4 -45.18 0.16 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.742 2.295 . . . . 0.0 113.162 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.77 8.15 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 111.122 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.554 ' HB3' ' HG2' ' B' ' 72' ' ' ARG . 14.2 mm100 -124.61 -13.99 6.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.548 ' HB2' HD21 ' B' ' 69' ' ' LEU . 28.4 pt20 -114.51 142.88 45.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.78 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.444 ' HG3' HD21 ' B' ' 71' ' ' LEU . 98.1 mtt180 -134.56 127.4 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.409 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.547 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.7 mm? -89.95 121.16 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.482 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 3.1 mp -116.69 140.54 38.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.408 ' HB3' HD11 ' B' ' 50' ' ' LEU . 87.3 t80 -142.8 133.15 24.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.67 15.21 7.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.481 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.26 8.44 66.44 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.888 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.548 ' HB3' ' HZ1' ' B' ' 48' ' ' LYS . 6.4 ttpm? -116.7 139.55 50.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.629 0.252 . . . . 0.0 110.699 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.606 ' HB2' HD21 ' A' 1378 ' ' LEU . 15.7 tm0? -77.31 128.56 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.71 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.527 HD22 HD12 ' B' ' 23' ' ' ILE . 8.4 mp -87.35 113.32 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.833 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -81.25 165.67 21.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.054 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -92.91 138.14 31.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.71 -32.63 5.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.596 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.534 HH21 ' HB3' ' B' ' 58' ' ' ASP . 45.4 mtp180 -93.38 150.81 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -78.42 -175.43 4.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.264 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.48 HD21 HD11 ' B' ' 61' ' ' ILE . 35.1 mt -78.17 -25.77 47.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -66.5 -21.88 66.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.534 ' HB3' HH21 ' B' ' 54' ' ' ARG . 19.9 m-20 -76.53 -21.97 55.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.38 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -112.84 -3.47 14.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.069 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 m120 55.0 90.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.48 HD11 HD21 ' B' ' 56' ' ' LEU . 58.1 mt -117.4 136.95 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -89.07 -172.6 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.446 ' HZ1' ' HB3' ' B' ' 1' ' ' MET . 72.4 mmtt -89.87 141.47 28.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 59.13 24.61 12.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -59.31 165.74 2.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 54.0 m -123.86 97.18 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.425 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.0 mp -85.81 -176.36 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.223 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -130.64 159.59 36.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.021 0.439 . . . . 0.0 111.472 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.548 HD21 ' HB2' ' B' ' 41' ' ' GLN . 0.4 OUTLIER -115.89 112.1 21.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.483 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.55 HG21 HG22 ' A' 1374 ' ' THR . 13.0 t -122.41 171.24 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.494 ' N ' HG11 ' B' ' 70' ' ' VAL . 12.4 tp 96.69 -142.15 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.751 0.82 . . . . 0.0 110.275 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.554 ' HG2' ' HB3' ' B' ' 40' ' ' GLN . 0.3 OUTLIER 65.51 48.28 2.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.258 0.551 . . . . 0.0 110.213 -179.259 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.406 HD23 ' OE2' ' A' 1371 ' ' GLU . 40.1 mt -84.88 178.66 7.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.012 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 55.55 -172.66 0.06 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.44 104.44 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.542 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1340 ' ' THR . . . . . 0.455 ' HA ' ' HD3' ' A' 1341 ' ' PRO . 3.9 t -55.97 141.29 67.82 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.226 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1341 ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' 1340 ' ' THR . 10.5 Cg_endo -91.84 -65.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.109 2.539 . . . . 0.0 112.927 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 60.7 mttp -52.37 -51.77 57.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.835 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 59.9 m -63.55 -31.56 72.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.181 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1344 ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' 1340 ' ' THR . 56.2 tp -64.75 -34.07 77.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.21 93.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 60.9 t -66.99 -48.35 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.318 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.15 -37.62 87.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.55 -41.99 75.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.435 HD13 ' HB2' ' A' 1359 ' ' ALA . 29.6 mt -65.34 -14.71 61.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.221 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 54.6 m -67.53 -27.19 66.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.604 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -79.34 -14.2 81.81 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.469 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 57.8 mmm -68.07 -66.34 0.58 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.795 0.331 . . . . 0.0 110.745 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 170.87 13.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.845 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.91 166.91 20.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.904 0.383 . . . . 0.0 111.358 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 76.7 p -76.63 -179.12 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.673 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -72.97 -37.77 66.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.359 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.05 -61.12 2.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.146 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1358 ' ' GLU . . . . . 0.414 ' HB3' HD13 ' A' 1377 ' ' LEU . 42.8 mt-10 -48.9 -39.81 27.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1359 ' ' ALA . . . . . 0.435 ' HB2' HD13 ' A' 1349 ' ' LEU . . . -69.96 -37.6 75.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -61.81 -55.63 27.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -60.99 -41.49 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.714 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.36 -55.21 37.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.406 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.482 ' O ' ' N ' ' A' 1368 ' ' TRP . 11.2 mt -57.45 -59.35 5.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.973 0.416 . . . . 0.0 111.199 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.38 -64.35 0.74 Allowed 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.951 -177.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -48.39 -57.43 6.06 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.939 0.774 . . . . 0.0 111.616 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.477 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 73.8 m -57.25 -11.6 1.84 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.769 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' 1366 ' ' CYS . 7.6 t30 95.91 51.86 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.287 0.992 . . . . 0.0 109.118 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.482 ' N ' ' O ' ' A' 1363 ' ' LEU . 74.0 m95 42.89 82.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.836 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.469 ' O ' HD22 ' A' 1363 ' ' LEU . 24.7 m-20 -152.62 129.69 11.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.292 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1370 ' ' LEU . . . . . 0.511 HD13 HD11 ' B' ' 8' ' ' LEU . 11.1 mt -56.24 -78.35 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -47.94 -34.97 9.89 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.51 0.195 . . . . 0.0 111.39 -178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.477 ' HB1' ' HB3' ' A' 1366 ' ' CYS . . . -62.63 -44.77 95.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.969 0.414 . . . . 0.0 109.996 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1373 ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -64.48 -46.39 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.923 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.623 HG23 HD21 ' A' 1378 ' ' LEU . 54.7 m -53.93 -55.43 27.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.525 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.45 -26.73 65.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.947 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1376 ' ' PHE . . . . . 0.539 ' HA ' ' HB2' ' A' 1380 ' ' SER . 51.0 t80 -71.72 -28.08 63.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.12 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1377 ' ' LEU . . . . . 0.414 HD13 ' HB3' ' A' 1358 ' ' GLU . 3.8 mm? -76.4 -55.99 5.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.202 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.623 HD21 HG23 ' A' 1374 ' ' THR . 0.0 OUTLIER -67.15 -45.33 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.252 -179.095 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -89.39 -67.73 0.82 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1380 ' ' SER . . . . . 0.539 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 11.7 m -68.49 -178.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.29 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.115 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -129.48 171.1 12.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.85 150.85 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -114.51 109.67 18.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.283 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.452 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 2.8 t -84.33 141.74 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.716 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -118.58 104.92 11.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.806 0.336 . . . . 0.0 111.491 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 76.7 p -86.44 142.15 28.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.383 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.511 HD11 HD13 ' A' 1370 ' ' LEU . 3.3 mm? -66.95 -17.28 64.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.323 . . . . 0.0 110.724 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.7 p -71.49 -19.49 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.35 48.4 1.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -141.09 145.57 35.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.4 m -116.4 118.03 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.787 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 44.7 mm -99.52 145.35 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.352 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.0 m -127.16 112.75 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.366 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -126.16 144.24 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 111.421 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.38 122.89 43.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.7 176.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.326 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -106.75 173.6 6.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.858 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -72.75 -17.01 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -106.09 10.11 32.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.01 144.07 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.767 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.3 p -91.89 151.14 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.332 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.419 HG23 ' HE3' ' B' ' 27' ' ' LYS . 49.4 mm -58.25 -48.6 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.341 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.431 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 19.8 t70 -56.69 -39.91 74.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -57.7 -42.87 84.62 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.972 0.415 . . . . 0.0 110.481 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.72 -39.28 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.201 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.449 ' HB3' ' NE2' ' B' ' 41' ' ' GLN . 32.3 mmtp -57.4 -46.25 83.66 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.112 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 63.4 m -58.5 -43.96 89.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.45 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -56.92 -43.14 81.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.22 -39.45 83.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.71 -28.74 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.448 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.05 -3.76 53.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.352 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -102.85 -67.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.057 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.67 -67.95 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.38 6.91 0.23 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.457 -0.878 . . . . 0.0 113.091 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.503 HG23 ' HB3' ' B' ' 41' ' ' GLN . 2.7 mp -63.48 131.5 94.85 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.916 0.358 . . . . 0.0 110.36 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.512 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 50.0 Cg_exo -53.09 147.4 34.42 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.242 1.962 . . . . 0.0 112.176 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.689 ' HA ' HE21 ' B' ' 41' ' ' GLN . 86.6 Cg_endo -83.21 -45.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.637 2.225 . . . . 0.0 113.15 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -74.5 0.73 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.671 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 27.8 mm-40 -113.81 -48.19 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.994 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.689 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.9 pt20 -57.51 145.07 34.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.022 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.591 HH21 ' HG2' ' B' ' 49' ' ' GLN . 78.7 mtp180 -142.64 126.22 16.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.995 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.503 ' HB3' HD12 ' B' ' 50' ' ' LEU . 2.5 mp -82.6 138.17 34.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.313 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 70.7 mt -137.13 127.63 39.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.447 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -127.84 129.6 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.13 14.68 6.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.448 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.71 18.24 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.749 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -122.79 145.17 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.791 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.591 ' HG2' HH21 ' B' ' 42' ' ' ARG . 8.0 tp-100 -81.61 129.22 34.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' B' ' 43' ' ' LEU . 18.3 mt -89.36 103.21 15.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.655 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.79 140.93 58.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.431 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 16.0 m-20 -71.93 138.58 48.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.35 -36.33 4.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.358 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -83.81 173.34 11.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.742 0.306 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.5 p -99.42 -179.41 4.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.473 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.443 ' HA ' HD12 ' B' ' 61' ' ' ILE . 46.4 mt -76.95 -20.33 56.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.2 p -72.4 -21.56 61.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.285 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.38 -15.07 63.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.376 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -123.97 19.24 9.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.448 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 m120 58.44 18.56 5.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.366 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.443 HD12 ' HA ' ' B' ' 56' ' ' LEU . 78.2 mt -55.52 118.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -92.53 -170.27 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -78.48 145.94 34.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.928 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 56.97 22.86 7.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.013 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.1 p -59.28 163.84 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.6 m -112.49 111.48 22.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.38 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.808 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.457 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.1 m-70 -128.31 152.21 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' B' ' 41' ' ' GLN . 15.0 tp -123.42 116.26 22.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.056 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' B' ' 42' ' ' ARG . 6.4 m -126.18 142.1 43.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 111.275 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.49 150.55 28.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.516 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -63.04 -41.67 99.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.695 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 46.64 -164.71 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.738 179.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -73.2 122.59 22.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.761 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.85 -110.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.471 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.565 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 5.0 t -101.23 143.32 26.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.65 -47.35 5.52 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.577 2.184 . . . . 0.0 112.667 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -46.4 -42.08 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.721 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 70.1 m -75.72 -35.86 60.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.385 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.85 -34.03 77.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.341 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -66.28 -46.21 77.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.786 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 48.6 t -57.21 -40.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -65.93 -44.41 85.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.21 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.5 -28.55 69.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.493 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.5 ' HB3' ' HE1' ' A' 1354 ' ' PHE . 38.5 mt -88.12 -22.64 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.211 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 44.9 t -66.68 -25.95 66.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -88.55 -13.14 63.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 75.3 mmm -64.86 -62.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.641 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 170.23 23.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.675 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1354 ' ' PHE . . . . . 0.5 ' HE1' ' HB3' ' A' 1349 ' ' LEU . 0.2 OUTLIER -148.44 151.6 35.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 77.4 p -61.54 171.13 1.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.491 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.0 -17.25 64.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.085 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -58.45 3.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.87 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.39 -38.7 59.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.547 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1359 ' ' ALA . . . . . 0.403 ' HB2' HD12 ' A' 1349 ' ' LEU . . . -69.34 -42.01 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.705 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -54.61 -49.9 69.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.05 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -66.33 -48.38 70.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -51.57 -57.65 8.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.236 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' 1368 ' ' TRP . 3.9 mt -59.16 -60.44 3.86 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.65 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -45.7 -65.57 0.52 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.756 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 27.8 tptp -51.26 -53.02 39.55 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.942 0.776 . . . . 0.0 111.841 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' 1372 ' ' ALA . 98.9 m -62.28 -7.74 4.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' 1366 ' ' CYS . 67.8 m-20 94.11 54.57 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.256 0.973 . . . . 0.0 109.582 179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.527 ' N ' ' O ' ' A' 1363 ' ' LEU . 93.5 m95 36.68 85.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.546 -1.206 . . . . 0.0 112.206 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.434 ' O ' HD23 ' A' 1363 ' ' LEU . 18.3 t70 -156.76 136.64 12.55 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.225 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1370 ' ' LEU . . . . . 0.602 HD12 ' HB3' ' B' ' 8' ' ' LEU . 14.4 mt -58.99 -76.57 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1371 ' ' GLU . . . . . 0.471 ' HG3' HG12 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -41.92 -49.24 4.56 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.555 ' HB2' ' HB3' ' A' 1366 ' ' CYS . . . -59.82 -38.33 81.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.181 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -68.75 -56.03 9.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.14 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.542 HG21 HG21 ' B' ' 70' ' ' VAL . 4.4 m -55.37 -36.51 66.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.48 -31.38 72.09 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.685 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1376 ' ' PHE . . . . . 0.656 ' HA ' ' HB2' ' A' 1380 ' ' SER . 73.4 t80 -63.61 -45.17 91.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.268 0.556 . . . . 0.0 109.872 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 28.9 mt -76.89 -20.5 56.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.299 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.473 HD13 HD13 ' B' ' 44' ' ' ILE . 48.2 mt -95.14 -65.41 0.98 Allowed 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -86.18 -59.22 2.35 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1380 ' ' SER . . . . . 0.656 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 5.4 t -36.82 -55.73 0.88 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.845 0.355 . . . . 0.0 111.438 -178.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.027 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.438 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 3.9 ppp? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.033 0.444 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -117.46 165.64 13.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.1 pt -138.52 138.81 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.591 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -102.45 100.39 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 111.126 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.494 HG21 HD11 ' B' ' 43' ' ' LEU . 50.3 t -86.29 110.96 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.781 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.639 ' HB2' ' HZ3' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -101.13 134.9 43.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 111.137 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.519 HG22 ' HB3' ' B' ' 69' ' ' LEU . 66.1 p -102.81 142.04 34.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.209 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.602 ' HB3' HD12 ' A' 1370 ' ' LEU . 93.7 mt -70.12 2.36 3.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 111.03 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 77.5 p -90.71 -10.12 44.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.7 49.17 1.69 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.481 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -144.85 138.17 26.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 111.013 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -107.05 138.22 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.79 141.23 46.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.371 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -126.9 121.16 30.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.397 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.551 HD12 ' HE3' ' B' ' 29' ' ' LYS . 26.0 tp -124.98 143.74 50.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.079 0.466 . . . . 0.0 111.733 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -103.01 108.92 20.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.756 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.1 m -130.6 161.69 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.45 . . . . 0.0 111.898 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -88.08 169.18 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -75.6 -1.86 26.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.4 m -111.37 -3.2 15.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.2 142.0 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.674 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.46 ' H ' HD21 ' B' ' 25' ' ' ASN . 63.1 p -94.03 164.68 12.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.378 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.6 mm -63.32 -38.56 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 14.4 t70 -59.77 -33.97 72.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.664 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.46 HD21 ' H ' ' B' ' 22' ' ' THR . 93.9 m-20 -67.85 -36.31 80.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.78 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -60.27 -53.93 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.154 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.474 ' HE2' HD23 ' B' ' 43' ' ' LEU . 1.9 mmtp -49.22 -47.82 45.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.558 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -63.49 -49.32 74.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.551 ' HE3' HD12 ' B' ' 15' ' ' LEU . 30.9 mtpp -56.91 -30.03 63.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.0 mt -78.02 -40.13 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.56 -36.48 80.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -83.62 -15.92 47.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -90.18 -68.36 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.8 -71.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.617 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.49 2.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.8 mm -62.48 127.27 89.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.455 0.128 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.567 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 37.1 Cg_exo -56.83 127.66 26.75 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.34 2.027 . . . . 0.0 112.19 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.438 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 37.0 Cg_endo -66.22 -40.47 15.12 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.539 2.159 . . . . 0.0 112.879 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.84 7.51 5.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.547 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 14.8 mm100 -126.66 -20.68 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.438 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.1 pt20 -95.26 143.23 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.456 HH21 ' HG3' ' B' ' 72' ' ' ARG . 81.5 mtt180 -134.88 122.39 21.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.517 ' HB3' HD11 ' B' ' 50' ' ' LEU . 2.1 mm? -79.1 131.54 36.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.473 HD13 HD13 ' A' 1378 ' ' LEU . 23.3 mt -131.59 150.28 33.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.99 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.417 ' HB2' HD23 ' B' ' 67' ' ' LEU . 82.7 t80 -159.75 143.53 14.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.59 17.1 3.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.415 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.49 -20.12 39.94 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.381 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -93.7 141.56 28.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.455 HE22 ' HB3' ' B' ' 42' ' ' ARG . 54.5 tp60 -69.29 142.65 54.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.152 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.517 HD11 ' HB3' ' B' ' 43' ' ' LEU . 74.1 mt -100.53 95.3 6.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.467 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.05 158.4 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.039 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.464 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 5.1 p-10 -87.39 150.37 23.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.787 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.47 -50.43 0.81 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.342 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.1 mmp_? -71.1 160.9 32.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.75 0.309 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -83.33 -174.89 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.013 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.426 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 24.2 mt -85.18 -10.03 57.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.006 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -81.09 -25.83 36.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.57 -5.93 40.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -127.68 9.54 6.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.291 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 56.02 32.27 19.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.368 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.426 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 29.2 mm -59.51 110.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -78.64 175.93 9.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.013 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.438 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 28.2 mmtp -75.75 140.15 42.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.74 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 59.33 20.5 8.72 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.917 0.389 . . . . 0.0 110.707 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 95.9 p -59.0 134.27 56.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.041 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 45.8 m -85.06 97.04 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.736 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.461 ' O ' ' HG2' ' B' ' 6' ' ' LYS . 47.6 mt -82.71 175.64 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -127.75 158.48 37.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.882 0.372 . . . . 0.0 111.088 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.519 ' HB3' HG22 ' B' ' 7' ' ' THR . 6.2 tt -132.57 113.06 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.43 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.542 HG21 HG21 ' A' 1374 ' ' THR . 57.9 t -122.83 150.67 26.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.413 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 16.8 tp -66.71 158.32 30.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.976 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.456 ' HG3' HH21 ' B' ' 42' ' ' ARG . 64.3 ttt180 -88.03 -34.6 17.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.2 mt 64.5 174.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -92.76 150.63 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.41 -22.77 0.29 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.474 179.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 121.031 0.444 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1340 ' ' THR . . . . . 0.605 HG21 ' HB3' ' A' 1343 ' ' SER . 0.1 OUTLIER -54.21 147.3 27.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.759 179.317 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.79 -41.92 0.65 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.508 2.138 . . . . 0.0 113.015 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1342 ' ' LYS . . . . . 0.587 ' HZ1' ' HB2' ' A' 1342 ' ' LYS . 10.3 mtmp? -55.77 -40.16 72.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.018 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1343 ' ' SER . . . . . 0.605 ' HB3' HG21 ' A' 1340 ' ' THR . 26.6 t -84.2 -40.22 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.245 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 54.3 tp -55.26 -41.3 72.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.358 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -64.59 -50.69 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.804 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 61.0 t -58.47 -34.11 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -69.63 -45.01 69.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.805 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.24 -32.9 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.442 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.418 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 83.3 mt -76.42 -16.1 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.267 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 48.1 t -74.12 -21.46 59.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -91.56 0.5 74.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.235 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 92.0 mmm -80.83 -58.09 3.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.834 0.349 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 165.44 16.43 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.734 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1354 ' ' PHE . . . . . 0.418 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.2 OUTLIER -141.16 147.76 38.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 111.071 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 67.6 p -58.71 168.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.707 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -67.07 -26.62 66.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.713 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.55 -59.96 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.748 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -54.58 -41.2 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.067 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.27 -32.05 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.26 -52.73 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -62.14 -45.99 90.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.47 -50.93 64.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' 1368 ' ' TRP . 1.0 OUTLIER -60.21 -60.05 4.43 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.499 -179.462 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.44 -64.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.317 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -51.37 -53.57 35.05 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.807 0.692 . . . . 0.0 111.421 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.526 ' O ' ' HB2' ' A' 1367 ' ' ASN . 89.6 m -60.3 -8.5 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.526 ' HB2' ' O ' ' A' 1366 ' ' CYS . 16.9 m120 94.85 52.82 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.306 1.004 . . . . 0.0 109.351 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' 1363 ' ' LEU . 79.4 m95 42.48 37.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.77 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.414 ' HB3' ' OE1' ' A' 1371 ' ' GLU . 13.1 m-20 -98.09 136.99 37.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.364 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1370 ' ' LEU . . . . . 0.44 ' HG ' HD21 ' B' ' 8' ' ' LEU . 18.3 tp -71.83 -65.79 0.72 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1371 ' ' GLU . . . . . 0.414 ' OE1' ' HB3' ' A' 1369 ' ' ASP . 0.1 OUTLIER -52.67 -37.71 59.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.692 0.282 . . . . 0.0 111.12 -179.592 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1372 ' ' ALA . . . . . . . . . . . . . . . -66.22 -36.07 82.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.027 0.441 . . . . 0.0 110.436 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1373 ' ' ALA . . . . . 0.468 ' HB3' ' HG ' ' A' 1363 ' ' LEU . . . -64.77 -50.91 64.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.268 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.518 HG23 HG22 ' B' ' 70' ' ' VAL . 25.8 m -57.31 -46.35 83.28 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.581 ' HA ' HD12 ' A' 1378 ' ' LEU . 4.4 t30 -61.51 -28.11 69.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.097 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 36.0 t80 -66.06 -51.7 55.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.057 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.69 -21.71 65.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.581 HD12 ' HA ' ' A' 1375 ' ' ASN . 59.8 mt -80.16 -60.66 2.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.274 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.14 -66.46 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.511 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 51.6 m -48.51 111.17 0.42 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.332 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.037 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.0 0.429 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -100.2 149.21 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 pt -134.07 156.27 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -122.1 103.28 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.32 141.96 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.961 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.511 ' HZ1' ' HB2' ' B' ' 6' ' ' LYS . 3.9 ttmp? -127.57 96.64 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.156 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.559 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.4 p -61.27 144.07 54.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.64 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.44 HD21 ' HG ' ' A' 1370 ' ' LEU . 12.7 tp -71.37 -0.66 10.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.223 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -89.95 -34.03 16.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.743 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.38 47.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.59 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -143.34 145.78 32.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 84.1 m -113.92 142.66 45.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.6 mt -134.23 144.83 34.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 58.7 m -113.59 123.87 50.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.9 tp -128.19 148.22 50.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.993 0.425 . . . . 0.0 111.378 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -109.55 99.05 8.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.013 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.74 -175.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.301 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -130.32 159.47 36.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.91 0.386 . . . . 0.0 110.981 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.4 m -68.65 -13.65 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.783 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -92.05 -17.91 24.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.737 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.87 136.87 43.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.928 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 81.9 p -77.37 -177.28 4.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.298 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.9 mm -75.28 -50.19 25.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.161 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -56.84 -38.71 73.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -56.49 -44.35 80.59 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.552 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.99 -37.47 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.58 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.534 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 32.0 mmtp -57.68 -42.3 83.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.6 t -65.47 -47.43 76.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.436 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -54.95 -35.77 64.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.609 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.7 mt -72.31 -39.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.309 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -58.98 -35.09 72.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.359 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -89.69 -13.46 36.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -84.9 -67.88 0.77 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.728 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.56 -61.63 1.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.0 4.04 1.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.165 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.08 120.91 79.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 110.789 -0.078 . . . . 0.0 110.789 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.3 Cg_exo -53.85 146.99 43.41 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.452 2.102 . . . . 0.0 112.717 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.441 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 21.5 Cg_exo -65.56 -45.11 7.32 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.613 2.208 . . . . 0.0 112.389 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.71 9.04 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.565 ' O ' ' HA ' ' B' ' 71' ' ' LEU . 33.4 tt0 -126.31 -18.41 4.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.677 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.507 ' HB2' HD21 ' B' ' 69' ' ' LEU . 12.1 pt20 -99.77 136.37 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.028 0.442 . . . . 0.0 111.811 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.449 ' HG3' ' HA ' ' B' ' 72' ' ' ARG . 1.3 mmp_? -130.5 131.11 44.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.245 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.534 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.7 mp -93.24 124.08 36.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.574 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.454 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 67.7 mt -125.1 139.51 50.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.8 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -142.13 131.13 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.78 14.27 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.349 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.61 30.07 14.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.243 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -131.34 133.11 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.512 ' HB2' HD21 ' A' 1378 ' ' LEU . 24.5 tp60 -77.51 113.97 15.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' B' ' 43' ' ' LEU . 76.2 mt -76.23 102.97 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.31 151.15 48.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -78.53 149.81 33.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.35 -43.85 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -81.1 178.85 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.3 p -103.68 -174.29 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.2 mt -76.92 -33.8 57.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 81.1 p -69.4 -23.25 63.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.9 -18.91 65.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -123.59 4.81 8.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 59.01 92.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.233 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.6 mt -124.26 109.86 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.763 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -67.64 -174.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -84.37 148.04 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.42 19.88 6.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.263 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.6 m -59.4 150.3 26.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.786 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -101.16 104.45 15.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.21 172.62 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.667 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.454 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.0 m-70 -127.86 144.19 51.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 111.319 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.559 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 0.3 OUTLIER -112.35 109.21 18.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.266 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.518 HG22 HG23 ' A' 1374 ' ' THR . 38.5 t -120.73 154.05 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.571 HD21 ' H ' ' B' ' 73' ' ' LEU . 1.3 tt -67.04 135.73 54.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.787 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.449 ' HA ' ' HG3' ' B' ' 42' ' ' ARG . 45.9 ttp180 -47.74 -43.15 26.83 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.674 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.571 ' H ' HD21 ' B' ' 71' ' ' LEU . 19.5 tp 64.04 164.48 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.058 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -93.08 -51.28 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.68 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.6 -43.45 1.28 Allowed Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.561 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.453 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 4.9 t -90.88 143.14 28.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.041 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -74.59 -22.5 15.71 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.584 2.189 . . . . 0.0 112.602 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.85 -38.74 86.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.046 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 48.0 t -80.09 -36.35 35.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.692 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.0 -34.41 74.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.176 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.77 68.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 0.0 110.405 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 39.9 t -68.06 -31.6 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.86 -41.92 61.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.244 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.17 -37.4 80.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.463 HD13 HD11 ' A' 1363 ' ' LEU . 75.4 mt -74.0 -37.02 64.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.834 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.3 t -56.26 -29.6 61.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.27 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -90.4 35.01 3.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.677 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 82.6 mtp -121.25 -58.78 1.77 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.74 0.305 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 178.19 16.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.733 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1354 ' ' PHE . . . . . 0.431 ' HE1' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -145.74 147.83 32.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 111.051 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 70.3 p -63.06 169.68 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.66 -22.61 66.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -71.19 -53.02 15.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.667 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.67 -38.0 77.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.47 83.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.969 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -58.82 -49.98 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -63.22 -45.99 89.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.18 -54.69 36.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.256 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.463 HD11 HD13 ' A' 1349 ' ' LEU . 6.0 mt -59.27 -59.63 5.15 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.53 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -45.48 -64.88 0.63 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.332 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 62.5 tttp -50.8 -54.32 24.56 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.911 0.757 . . . . 0.0 111.636 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.493 ' O ' ' HB2' ' A' 1367 ' ' ASN . 87.2 m -58.7 -10.26 2.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' 1366 ' ' CYS . 71.4 m-20 94.42 53.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.298 0.999 . . . . 0.0 109.308 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' 1363 ' ' LEU . 75.9 m95 39.18 82.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.726 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.556 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 16.4 t70 -153.87 134.25 13.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.189 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1370 ' ' LEU . . . . . 0.432 HD22 HD12 ' B' ' 8' ' ' LEU . 13.1 mt -62.35 -73.98 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1371 ' ' GLU . . . . . 0.479 ' HG3' HD11 ' B' ' 73' ' ' LEU . 15.9 pt-20 -48.71 -34.92 12.91 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.536 0.208 . . . . 0.0 111.409 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.556 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -69.73 -39.91 76.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.892 0.377 . . . . 0.0 110.534 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -64.14 -49.96 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.67 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.62 HG21 HG23 ' B' ' 70' ' ' VAL . 26.1 m -62.25 -50.44 71.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.978 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.622 ' HA ' HD13 ' A' 1378 ' ' LEU . 3.4 t30 -53.81 -32.79 54.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.32 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1376 ' ' PHE . . . . . 0.522 ' O ' ' HB3' ' A' 1380 ' ' SER . 91.3 t80 -74.49 -56.43 4.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.763 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 79.6 mt -50.97 -26.1 5.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.067 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.622 HD13 ' HA ' ' A' 1375 ' ' ASN . 45.3 mt -70.39 -56.09 7.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.312 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -94.1 -67.43 0.86 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.378 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1380 ' ' SER . . . . . 0.522 ' HB3' ' O ' ' A' 1376 ' ' PHE . 24.9 p 39.81 89.58 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.885 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.118 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.856 0.36 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -138.13 156.03 48.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.604 ' HB ' HD21 ' B' ' 67' ' ' LEU . 36.4 pt -135.35 156.12 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -116.63 94.55 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.269 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.524 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 77.5 t -65.03 147.35 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.941 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -127.63 110.2 12.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.498 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.436 ' HG1' ' HB3' ' B' ' 11' ' ' LYS . 58.4 p -87.85 146.23 25.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.014 178.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.615 HD21 HG22 ' B' ' 70' ' ' VAL . 3.3 mm? -62.89 -20.94 65.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.808 0.337 . . . . 0.0 111.01 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 39.5 m -67.02 -23.72 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.04 52.65 0.73 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.436 ' HB3' ' HG1' ' B' ' 7' ' ' THR . 56.8 tttm -138.81 144.94 39.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -117.69 100.96 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.524 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 72.1 mt -85.76 133.27 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.409 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.5 m -107.75 113.02 25.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.47 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.0 tp -120.25 150.85 40.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -116.7 114.51 24.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.777 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.6 -170.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.052 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -119.96 167.19 12.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -72.34 -17.74 61.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.8 t -92.5 -12.56 31.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.053 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.26 150.47 34.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 21.3 p -90.79 171.99 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.43 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.42 -58.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.536 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -51.26 -37.94 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -55.66 -45.85 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.163 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.421 HG12 HD23 ' B' ' 43' ' ' LEU . 60.2 t -59.82 -43.96 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.475 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -52.71 -43.22 65.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.631 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.5 m -64.75 -48.29 75.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.758 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.35 -31.88 64.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.737 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.4 mt -76.02 -37.51 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -61.03 -40.14 92.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -81.98 -16.62 49.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -79.78 -37.35 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.571 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.4 ' OE1' ' HE3' ' B' ' 11' ' ' LYS . 58.4 mm-40 -130.71 -68.72 0.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.42 4.57 0.3 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.4 mm -61.67 129.4 91.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.781 0.29 . . . . 0.0 110.632 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.409 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.1 Cg_endo -55.46 129.22 33.98 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.673 2.248 . . . . 0.0 112.428 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.442 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 8.1 Cg_exo -73.21 -31.04 9.86 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.82 2.347 . . . . 0.0 112.552 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -78.31 0.94 23.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.319 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -123.45 -43.77 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.248 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.442 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 12.5 pt20 -66.6 157.81 31.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.609 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -149.52 145.4 26.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.422 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.421 HD23 HG12 ' B' ' 26' ' ' VAL . 2.1 mp -94.94 130.26 41.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.346 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.56 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 4.7 mp -124.58 139.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.557 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.418 ' HE1' ' HB2' ' B' ' 65' ' ' SER . 66.7 t80 -138.75 131.79 29.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.88 19.63 2.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.474 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.03 -30.84 9.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.594 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -90.92 122.05 33.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.522 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 4.1 pt20 -72.37 155.08 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.474 HD23 HD13 ' B' ' 61' ' ' ILE . 5.7 mp -106.32 124.09 49.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.04 140.28 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.44 159.7 9.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.57 -32.79 4.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.641 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.409 HH21 ' HB3' ' B' ' 58' ' ' ASP . 47.7 mtp180 -81.72 176.14 9.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.689 0.28 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -105.77 155.33 19.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.163 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.495 ' HB3' HD12 ' B' ' 61' ' ' ILE . 54.3 mt -62.98 -14.88 53.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -81.26 -21.96 39.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.342 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.409 ' HB3' HH21 ' B' ' 54' ' ' ARG . 4.1 m-20 -73.25 -4.21 31.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.416 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -126.44 -3.92 6.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.486 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t30 57.46 96.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.758 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' B' ' 56' ' ' LEU . 56.5 mt -121.0 128.16 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -80.11 178.14 8.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.404 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -84.61 146.06 27.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.711 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 56.19 21.49 5.29 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.903 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.418 ' HB2' ' HE1' ' B' ' 45' ' ' PHE . 91.9 p -63.93 -179.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.348 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.9 m -117.94 119.01 33.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.604 HD21 ' HB ' ' B' ' 3' ' ' ILE . 4.6 mm? -103.67 163.98 11.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.578 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.56 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 44.7 m-70 -129.04 125.29 36.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 111.032 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.441 HD12 ' HB2' ' B' ' 41' ' ' GLN . 20.8 tp -104.21 106.02 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.62 HG23 HG21 ' A' 1374 ' ' THR . 8.4 t -120.36 147.11 24.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.647 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 82.1 mt -82.43 160.72 22.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -91.78 -36.18 13.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.968 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.479 HD11 ' HG3' ' A' 1371 ' ' GLU . 54.8 mt 64.84 160.29 0.11 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.308 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -149.78 117.03 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.812 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.44 -52.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.344 -1.254 . . . . 0.0 112.465 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 61.5 p . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1340 ' ' THR . . . . . 0.419 HG23 ' HB2' ' A' 1343 ' ' SER . 3.8 t -148.41 144.44 18.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.39 -48.38 6.11 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.548 2.165 . . . . 0.0 112.625 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -47.31 -46.1 24.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.663 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1343 ' ' SER . . . . . 0.419 ' HB2' HG23 ' A' 1340 ' ' THR . 66.5 m -76.35 -34.54 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.49 -43.27 88.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1345 ' ' ALA . . . . . 0.414 ' HA ' HD22 ' A' 1370 ' ' LEU . . . -61.17 -44.12 97.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 36.3 t -62.82 -34.77 67.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.652 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -70.59 -42.91 70.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.466 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -29.06 69.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.389 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.461 HD13 ' HB3' ' A' 1359 ' ' ALA . 28.7 mt -80.6 -36.37 32.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.669 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.9 t -66.06 -11.42 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -106.15 11.01 44.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.676 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1352 ' ' MET . . . . . 0.462 ' HE1' HG21 ' A' 1374 ' ' THR . 90.1 mtp -96.9 -49.43 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.718 0.294 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 169.04 18.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.7 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1354 ' ' PHE . . . . . 0.411 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -145.79 174.96 10.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 111.264 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 70.7 p -84.39 174.9 9.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.513 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -73.15 -23.16 60.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.7 -62.51 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.06 -31.28 40.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1359 ' ' ALA . . . . . 0.461 ' HB3' HD13 ' A' 1349 ' ' LEU . . . -72.85 -36.3 67.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.676 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -64.06 -45.01 90.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -67.43 -52.66 36.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.09 -45.47 68.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.277 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.482 ' HA ' ' HB2' ' A' 1373 ' ' ALA . 17.3 mt -63.87 -59.62 4.3 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.555 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -45.87 -64.46 0.73 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.696 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1365 ' ' LYS . . . . . 0.403 ' C ' ' H ' ' A' 1367 ' ' ASN . 23.7 tptm -52.15 -52.54 51.18 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 124.0 0.812 . . . . 0.0 112.185 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.534 ' O ' ' HB2' ' A' 1367 ' ' ASN . 2.7 p -58.94 -9.57 1.94 Allowed 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.534 ' HB2' ' O ' ' A' 1366 ' ' CYS . 45.4 m-80 92.39 53.78 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.487 0 O-C-N 124.408 1.068 . . . . 0.0 109.654 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.43 ' N ' ' O ' ' A' 1363 ' ' LEU . 82.2 m95 39.49 74.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.654 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.431 ' HB2' ' HB1' ' A' 1372 ' ' ALA . 13.5 m-20 -143.48 126.32 16.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.259 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1370 ' ' LEU . . . . . 0.508 HD11 HD13 ' B' ' 8' ' ' LEU . 2.4 tm? -49.76 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1371 ' ' GLU . . . . . 0.462 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -54.55 -44.65 73.08 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.361 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' 1371 ' ' GLU . . . -56.74 -34.96 68.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1373 ' ' ALA . . . . . 0.482 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -67.65 -41.04 84.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.626 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.462 HG21 ' HE1' ' A' 1352 ' ' MET . 21.5 m -63.78 -54.49 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.051 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 1.6 t30 -55.69 -34.15 64.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.859 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1376 ' ' PHE . . . . . 0.482 ' HA ' ' HB2' ' A' 1380 ' ' SER . 46.7 t80 -71.99 -35.58 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.777 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 16.0 tp -77.3 -19.65 56.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.42 HD22 ' HB2' ' B' ' 49' ' ' GLN . 50.8 mt -89.19 -64.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.772 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -81.07 -63.37 1.42 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.319 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1380 ' ' SER . . . . . 0.482 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 4.1 m -60.64 -179.93 0.14 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.124 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.249 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.709 0.29 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -118.55 154.42 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 111.458 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 pt -134.48 159.03 42.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -123.29 104.53 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.972 0.415 . . . . 0.0 111.411 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 53.4 t -95.26 130.0 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.141 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.504 ' HD3' ' HD1' ' B' ' 68' ' ' HIS . 13.4 ptmm? -110.83 133.65 53.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 111.801 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 73.1 p -85.1 155.16 21.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.01 179.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.508 HD13 HD11 ' A' 1370 ' ' LEU . 87.1 mt -75.5 6.92 4.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 111.071 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 64.4 m -103.43 -27.55 12.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.63 57.2 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -144.21 137.99 27.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 111.036 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.1 m -93.61 143.53 26.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.313 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.465 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 71.8 mt -128.5 109.71 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.244 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 33.0 m -97.98 117.22 31.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.339 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.2 tp -129.01 136.49 50.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.913 0.387 . . . . 0.0 111.777 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -98.09 98.24 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.145 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -112.36 -169.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.735 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.43 164.79 26.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.552 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -75.9 5.57 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.311 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -106.53 -22.15 12.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -65.82 157.9 29.21 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.287 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.404 ' O ' HG23 ' B' ' 26' ' ' VAL . 75.2 p -110.29 157.95 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.34 -40.53 57.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.63 -33.11 65.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.428 ' ND2' ' HE3' ' B' ' 29' ' ' LYS . 47.7 t30 -81.89 -29.16 32.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.404 HG23 ' O ' ' B' ' 22' ' ' THR . 98.9 t -61.87 -53.78 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.023 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.563 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 4.8 mptp? -52.89 -36.27 59.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.1 t -65.17 -49.9 68.02 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.509 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.428 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 98.8 mttt -56.57 -36.07 68.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.1 mt -70.28 -37.62 71.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -59.88 -42.22 93.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.325 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.79 -6.64 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.456 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -92.3 -32.79 14.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -131.6 -69.41 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.1 -7.26 0.25 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.694 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mm -65.08 118.67 51.79 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.712 0.256 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.468 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 52.6 Cg_exo -53.8 132.02 47.24 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.493 2.128 . . . . 0.0 112.284 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.563 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.2 Cg_exo -59.0 -39.21 82.81 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.536 2.157 . . . . 0.0 112.42 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.94 -10.88 23.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.263 0.554 . . . . 0.0 110.064 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.659 ' HB3' ' HA ' ' B' ' 72' ' ' ARG . 23.5 mt-30 -109.55 -16.05 14.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.539 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 33.1 mt-30 -93.74 128.83 40.16 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.439 ' HB2' HG11 ' B' ' 70' ' ' VAL . 94.8 mtt180 -136.27 124.31 22.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.828 177.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.483 ' HG ' ' NZ ' ' B' ' 27' ' ' LYS . 30.9 mt -88.02 147.01 25.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 111.879 -178.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.503 HD13 HG12 ' B' ' 70' ' ' VAL . 18.3 mt -134.78 128.48 50.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.749 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -132.16 139.29 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.745 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.78 14.56 6.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.418 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.38 -15.41 62.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.953 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -104.15 138.51 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.337 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.42 ' HB2' HD22 ' A' 1378 ' ' LEU . 35.8 tt0 -70.97 151.8 44.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.407 ' N ' HD12 ' B' ' 50' ' ' LEU . 6.2 mp -103.74 122.64 45.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.931 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -79.99 176.86 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -101.15 14.34 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -111.81 10.72 27.61 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.85 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -136.1 170.65 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.4 p -101.78 179.91 4.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.5 mt -72.17 -24.1 61.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.979 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.7 m -76.68 -21.99 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -70.26 -17.78 63.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.206 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.468 ' HB2' HG13 ' B' ' 61' ' ' ILE . 76.8 m-85 -110.44 5.13 21.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.059 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 56.57 26.98 11.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.311 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.468 HG13 ' HB2' ' B' ' 59' ' ' TYR . 54.3 mt -57.77 120.34 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.97 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -75.61 179.74 5.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -82.26 147.59 28.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 57.06 19.9 5.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t -61.71 168.87 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 55.3 m -123.97 107.81 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.43 ' HB3' HD21 ' B' ' 43' ' ' LEU . 9.1 mp -97.47 162.48 13.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.458 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.504 ' HD1' ' HD3' ' B' ' 6' ' ' LYS . 25.5 m-70 -112.51 144.64 41.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.066 0.46 . . . . 0.0 111.697 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 54.0 tp -95.9 138.67 33.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.06 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.553 HG23 ' H ' ' B' ' 71' ' ' LEU . 1.3 p -146.99 172.24 3.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.638 ' HB3' ' O ' ' B' ' 40' ' ' GLN . 0.2 OUTLIER 92.69 -131.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.282 0.989 . . . . 0.0 110.588 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.659 ' HA ' ' HB3' ' B' ' 40' ' ' GLN . 0.9 OUTLIER 62.85 43.11 7.22 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.007 -178.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' 1371 ' ' GLU . 96.8 mt -120.75 160.9 22.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -66.22 123.33 19.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.713 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.5 -0.76 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.585 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.497 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 57.3 p . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.86 0.362 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1340 ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' 1344 ' ' LEU . 2.7 t -97.23 151.33 37.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.801 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.21 -76.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.637 2.224 . . . . 0.0 113.53 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 51.2 pttt -81.05 -43.24 19.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1343 ' ' SER . . . . . 0.436 ' HB2' ' OG1' ' A' 1340 ' ' THR . 19.8 m -57.19 -16.22 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.687 0.279 . . . . 0.0 110.768 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1344 ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' 1340 ' ' THR . 0.7 OUTLIER -60.19 -43.54 95.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.435 179.494 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.29 89.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.915 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.9 t -61.4 -35.96 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -73.58 -37.55 65.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -67.84 -33.27 74.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.031 0.443 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.515 HD13 HD11 ' A' 1363 ' ' LEU . 91.0 mt -76.43 -21.99 55.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 46.4 t -65.18 -30.41 71.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -90.12 42.07 2.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.424 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 82.3 mtp -133.11 -51.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.6 0.238 . . . . 0.0 111.092 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 162.73 15.81 0.03 OUTLIER Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.028 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.03 149.4 44.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.956 0.408 . . . . 0.0 111.245 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 66.7 p -68.57 170.9 8.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.328 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1356 ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' 1356 ' ' GLU . 2.3 mp0 -67.76 -27.6 66.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.33 -61.35 2.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.689 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -53.66 -35.58 61.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.767 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -69.77 -39.2 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.84 -53.84 52.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1361 ' ' ASN . . . . . 0.411 ' O ' ' HD3' ' A' 1365 ' ' LYS . 47.4 m-80 -62.11 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.6 -54.86 41.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.345 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.515 HD11 HD13 ' A' 1349 ' ' LEU . 6.8 mt -57.98 -59.2 5.63 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.309 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -45.73 -64.59 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.283 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1365 ' ' LYS . . . . . 0.411 ' HD3' ' O ' ' A' 1361 ' ' ASN . 5.6 mptp? -49.7 -55.83 12.42 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.776 0.673 . . . . 0.0 111.751 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' 1367 ' ' ASN . 97.7 m -56.11 -13.0 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.656 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' 1366 ' ' CYS . 8.4 t30 96.38 52.11 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.353 1.033 . . . . 0.0 109.074 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' 1363 ' ' LEU . 83.0 m95 38.93 73.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.679 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.449 ' O ' HD21 ' A' 1363 ' ' LEU . 22.1 m-20 -137.3 135.38 37.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.574 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1371 ' ' GLU . . . . . 0.495 ' HG2' HD12 ' B' ' 73' ' ' LEU . 0.1 OUTLIER -49.02 -39.05 25.46 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.813 -178.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1372 ' ' ALA . . . . . . . . . . . . . . . -61.71 -42.64 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.377 . . . . 0.0 111.173 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1373 ' ' ALA . . . . . 0.405 ' HB1' HD21 ' A' 1363 ' ' LEU . . . -58.76 -52.63 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.557 HG21 HG21 ' B' ' 70' ' ' VAL . 29.6 m -55.28 -43.34 74.63 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 3.5 t30 -62.91 -27.4 69.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.116 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 41.6 t80 -70.53 -40.11 73.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.948 179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.71 -19.92 61.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.874 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.527 HD22 ' HB2' ' B' ' 49' ' ' GLN . 60.8 mt -86.88 -64.39 1.16 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.541 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -85.6 -61.49 1.75 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.643 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 60.7 m -57.99 -10.87 2.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.481 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.17 179.879 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.404 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 25.5 ptm . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -111.3 149.94 30.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.9 pt -132.52 146.68 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.779 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.409 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 91.7 m-85 -114.42 106.21 14.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.238 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 48.3 t -75.45 144.69 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.628 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -130.7 100.97 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.436 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.508 HG21 ' HB3' ' B' ' 69' ' ' LEU . 47.0 p -89.65 143.3 26.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.198 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.426 HD23 ' N ' ' B' ' 8' ' ' LEU . 3.1 mm? -65.02 -19.73 66.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.669 0.271 . . . . 0.0 111.084 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.455 HG21 ' HB ' ' B' ' 7' ' ' THR . 5.9 t -72.02 -6.78 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.73 52.69 2.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.57 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.422 ' HB3' ' HG1' ' B' ' 7' ' ' THR . 7.4 tmtm? -141.3 125.69 17.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 110.662 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 80.2 m -105.77 130.69 53.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.583 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 21.9 mt -116.13 149.4 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.479 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 66.1 m -126.62 112.75 15.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.439 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 51.1 tp -126.79 146.56 50.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.387 . . . . 0.0 111.382 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -111.12 106.24 15.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.16 -171.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.173 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -114.46 172.51 6.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p -75.41 -15.2 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -93.3 -12.4 30.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.52 133.28 50.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.8 p -82.28 -173.75 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.2 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.7 mm -80.2 -50.22 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.649 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.28 -33.08 67.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.158 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -62.07 -40.61 96.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.31 -34.39 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.559 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.481 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 32.7 mmtp -60.1 -44.31 94.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.7 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -67.28 -48.23 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.748 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -53.49 -38.53 63.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.1 mt -75.68 -34.21 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.679 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.14 -34.35 76.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -79.42 -12.08 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -94.73 -66.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.807 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -91.07 -74.95 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.35 51.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.243 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.496 HG21 HD11 ' B' ' 69' ' ' LEU . 4.2 mp -98.55 130.68 27.47 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.42 114.52 1.86 Allowed 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.523 2.148 . . . . 0.0 112.771 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.576 ' HA ' HE21 ' B' ' 41' ' ' GLN . 35.9 Cg_exo -62.25 -19.95 68.51 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.71 2.274 . . . . 0.0 112.749 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.51 -1.86 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.632 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.632 HE21 HD22 ' B' ' 71' ' ' LEU . 22.2 mt-30 -129.45 -42.51 1.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.672 0.272 . . . . 0.0 111.618 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.576 HE21 ' HA ' ' B' ' 38' ' ' PRO . 28.4 pt20 -61.08 157.2 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 0.0 111.749 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.597 HH21 ' HG2' ' B' ' 49' ' ' GLN . 12.0 ptm180 -161.51 142.9 11.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.249 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.481 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 69.6 mt -92.29 142.76 27.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.951 0.405 . . . . 0.0 111.85 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.54 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 5.0 mp -132.37 142.24 43.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.817 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -145.36 130.11 18.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.63 17.83 8.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.34 18.54 62.25 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.282 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -127.46 127.5 44.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.733 0.301 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.597 ' HG2' HH21 ' B' ' 42' ' ' ARG . 7.4 tp-100 -61.92 139.82 58.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.047 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.6 mt -93.78 98.79 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.48 136.61 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.46 146.68 52.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.26 -36.58 4.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.403 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -86.6 146.77 26.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.677 0.275 . . . . 0.0 110.735 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.8 p -74.07 -177.46 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.9 mt -81.94 -8.77 59.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.17 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.6 p -81.22 -22.17 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.169 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.87 -4.86 34.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.325 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.497 ' HB2' HG13 ' B' ' 61' ' ' ILE . 88.7 m-85 -129.58 14.49 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.231 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 56.77 22.57 7.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.498 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.497 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.7 mt -62.42 105.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.789 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.97 -167.79 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.386 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.404 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 20.6 mmtp -85.22 151.95 23.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.075 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.2 24.51 11.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 p -67.69 157.08 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.198 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 30.7 m -102.85 106.59 17.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.731 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.07 153.06 18.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.467 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.54 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.1 m-70 -114.7 127.87 56.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.173 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.514 HD21 ' HB2' ' B' ' 41' ' ' GLN . 2.9 tm? -110.03 111.53 22.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.759 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.557 HG21 HG21 ' A' 1374 ' ' THR . 4.3 t -124.56 156.55 32.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.657 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.632 HD22 HE21 ' B' ' 40' ' ' GLN . 8.8 mp -106.05 155.54 19.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.036 0.446 . . . . 0.0 111.378 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -81.73 -18.42 44.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.495 HD12 ' HG2' ' A' 1371 ' ' GLU . 52.0 mt 66.1 121.9 0.02 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.154 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -142.62 117.06 9.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.653 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.35 -34.64 4.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.38 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.461 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1340 ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' 1341 ' ' PRO . 5.2 t -60.17 145.6 85.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.972 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1341 ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' 1340 ' ' THR . 11.3 Cg_exo -70.96 -47.02 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.815 2.343 . . . . 0.0 112.654 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -48.37 -31.36 6.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.96 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.8 t -81.44 -48.08 12.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.63 0.253 . . . . 0.0 111.306 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.95 -28.83 58.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -68.93 -48.2 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 38.3 t -61.71 -33.39 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.189 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -72.33 -44.64 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.95 -37.15 83.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.761 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.435 HD12 ' HB3' ' A' 1359 ' ' ALA . 93.2 mt -74.75 -40.01 61.49 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.222 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 86.7 p -62.8 -15.31 53.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.152 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -101.0 11.8 58.89 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.638 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1352 ' ' MET . . . . . 0.453 ' HE3' HG22 ' A' 1374 ' ' THR . 90.3 mtp -99.9 -44.92 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.326 . . . . 0.0 110.974 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 168.83 -2.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.743 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.45 175.95 5.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 41.2 p -89.71 174.99 7.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.98 -25.98 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.49 -52.49 21.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.521 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.94 -32.48 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.25 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1359 ' ' ALA . . . . . 0.435 ' HB3' HD12 ' A' 1349 ' ' LEU . . . -70.5 -47.51 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.859 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -57.81 -45.77 85.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -65.94 -49.22 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.068 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.34 -53.35 55.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.369 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' 1368 ' ' TRP . 9.0 mt -57.33 -59.33 5.29 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -45.3 -64.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.005 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -49.11 -55.78 11.17 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.956 0.785 . . . . 0.0 111.83 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' 1367 ' ' ASN . 72.4 m -58.78 -10.16 2.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.684 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' 1366 ' ' CYS . 11.0 m120 93.25 53.26 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 124.257 0.973 . . . . 0.0 109.063 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.471 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.0 m95 41.31 81.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.651 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.576 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 18.0 t70 -148.06 132.91 18.03 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1370 ' ' LEU . . . . . 0.546 HD11 HD12 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -55.58 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.664 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -49.69 -44.62 48.15 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.576 ' HB1' ' HB3' ' A' 1369 ' ' ASP . . . -56.8 -39.23 73.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.766 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -64.88 -47.06 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.527 ' HB ' HG23 ' B' ' 70' ' ' VAL . 90.6 m -62.57 -55.8 23.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.946 0.403 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.541 ' HA ' HD11 ' A' 1378 ' ' LEU . 3.6 t30 -51.55 -34.08 35.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.497 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1376 ' ' PHE . . . . . 0.514 ' O ' ' HB3' ' A' 1380 ' ' SER . 80.5 t80 -69.49 -61.7 1.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.75 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 76.8 mt -50.69 -32.72 20.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.445 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.551 HD22 HE21 ' B' ' 49' ' ' GLN . 82.6 mt -61.95 -54.6 39.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -94.26 -68.13 0.82 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1380 ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' 1376 ' ' PHE . 19.7 p 38.75 33.67 0.08 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.006 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.147 -179.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -134.98 154.11 51.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -129.94 170.41 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.031 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -129.58 103.85 7.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.329 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.0 t -88.39 112.32 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.823 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -100.83 121.29 41.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.311 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.434 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 67.3 p -85.17 145.05 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.435 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.546 HD12 HD11 ' A' 1370 ' ' LEU . 94.5 mt -68.27 -5.21 17.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.118 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -83.27 -20.93 33.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.952 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.0 51.45 0.64 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.635 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -144.06 145.0 31.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 55.5 m -110.09 130.06 55.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -119.88 129.69 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.398 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 31.4 m -109.34 112.84 25.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.672 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.468 HD13 HG12 ' B' ' 30' ' ' ILE . 37.5 mt -116.42 171.43 7.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.138 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -129.3 117.75 21.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.629 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.48 -171.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.38 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -128.28 172.12 11.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.1 m -75.97 -0.01 20.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.1 m -123.5 -6.71 8.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.81 145.0 56.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 35.4 p -88.32 178.42 6.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.415 HD13 HD11 ' B' ' 50' ' ' LEU . 47.7 mm -79.98 -54.69 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.253 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.81 -33.94 57.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -58.52 -43.54 89.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.028 0.442 . . . . 0.0 109.831 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.28 -40.17 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.371 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.547 ' HB3' HE21 ' B' ' 41' ' ' GLN . 31.2 mmtp -59.55 -39.61 84.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.017 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -65.56 -40.05 92.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.245 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -60.33 -40.71 91.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.457 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.468 HG12 HD13 ' B' ' 15' ' ' LEU . 66.3 mt -70.13 -34.81 60.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -68.59 -32.62 72.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.063 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -86.64 -23.25 25.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.525 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -90.46 -60.96 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.682 0.277 . . . . 0.0 111.373 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -89.88 -75.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.136 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.27 11.41 0.48 Allowed Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.361 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.484 HG23 ' HB3' ' B' ' 41' ' ' GLN . 3.1 mp -69.06 134.26 89.66 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 117.093 0.447 . . . . 0.0 110.081 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.09 126.05 19.12 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.537 2.158 . . . . 0.0 112.355 -179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.43 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 12.4 Cg_exo -70.76 -30.15 18.03 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.814 2.343 . . . . 0.0 112.683 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.59 -0.28 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.392 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -123.26 -35.55 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.513 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.547 HE21 ' HB3' ' B' ' 27' ' ' LYS . 14.1 pt20 -71.28 138.81 49.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.961 0.41 . . . . 0.0 111.298 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -138.91 133.36 31.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.443 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.531 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 77.7 mt -98.57 113.89 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.285 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.526 HD11 HD23 ' A' 1378 ' ' LEU . 16.8 mt -108.24 141.99 22.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.808 0.337 . . . . 0.0 110.804 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -133.22 129.32 37.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.991 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 18.92 4.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.338 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.87 -20.95 48.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.518 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -97.12 116.15 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.731 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.563 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -61.76 155.62 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 -179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.415 HD11 HD13 ' B' ' 23' ' ' ILE . 55.7 mt -99.68 110.61 23.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.456 ' H ' ' HH ' ' B' ' 59' ' ' TYR . 8.4 mm-40 -76.88 163.05 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.95 0.405 . . . . 0.0 111.503 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -82.87 147.01 28.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.686 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.53 -26.67 22.93 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.252 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.561 HH21 ' HB3' ' B' ' 58' ' ' ASP . 51.7 mtp180 -96.61 155.67 16.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.737 0.303 . . . . 0.0 110.695 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 65.0 p -93.25 -177.2 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.484 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 24.5 mt -77.62 -12.98 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.202 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -81.76 -25.23 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.247 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.561 ' HB3' HH21 ' B' ' 54' ' ' ARG . 15.0 m-20 -70.79 -16.72 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.331 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.456 ' HH ' ' H ' ' B' ' 51' ' ' GLU . 88.0 m-85 -117.1 2.0 12.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.161 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 56.17 89.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -122.43 121.89 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.094 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.11 -172.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.84 145.8 25.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 61.13 21.73 12.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -58.75 170.07 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.3 m -119.16 109.44 15.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.343 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.47 ' HB3' HD23 ' B' ' 43' ' ' LEU . 3.7 mm? -92.65 150.02 20.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.685 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -102.15 129.72 48.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.434 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 0.9 OUTLIER -99.6 103.77 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.436 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.527 HG23 ' HB ' ' A' 1374 ' ' THR . 9.3 p -117.13 148.92 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 tp -85.08 152.75 23.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.37 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -92.35 -12.18 33.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.493 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mp 65.01 170.45 0.2 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.28 -2.5 5.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.038 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.04 -40.71 1.38 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.54 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.762 0.315 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1340 ' ' THR . . . . . 0.405 HG22 ' HB3' ' A' 1343 ' ' SER . 2.9 t -128.76 137.34 30.74 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.16 -47.83 22.58 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.588 2.192 . . . . 0.0 112.414 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 95.7 mttt -47.18 -47.43 24.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.619 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1343 ' ' SER . . . . . 0.405 ' HB3' HG22 ' A' 1340 ' ' THR . 47.3 t -77.06 -32.73 57.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.346 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1344 ' ' LEU . . . . . 0.443 ' O ' ' HB2' ' A' 1348 ' ' GLU . 2.2 mm? -59.53 -45.28 92.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.079 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.62 85.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.7 t -59.94 -39.76 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.258 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.82 -24.15 48.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1348 ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' 1344 ' ' LEU . 0.6 OUTLIER -81.15 -26.53 36.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.419 HD12 HD11 ' A' 1363 ' ' LEU . 56.8 mt -85.34 -27.47 25.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 83.5 p -63.18 -11.81 23.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -109.04 28.83 10.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.636 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1352 ' ' MET . . . . . 0.437 ' HE2' HG23 ' A' 1374 ' ' THR . 91.0 mtp -118.42 -37.56 3.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.606 0.241 . . . . 0.0 111.087 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 158.47 13.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.892 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.71 171.6 13.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 74.5 p -85.8 -179.13 6.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.459 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.9 -39.12 66.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.25 -55.3 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -56.27 -30.36 62.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.489 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -73.38 -42.14 62.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.883 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -59.69 -48.17 82.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -65.67 -47.59 75.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.686 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.6 -49.69 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.381 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.62 ' HA ' ' HB3' ' A' 1373 ' ' ALA . 11.6 mt -63.95 -59.79 4.06 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.516 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -45.5 -64.0 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.536 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -50.8 -53.48 31.6 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 124.106 0.879 . . . . 0.0 111.862 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' 1367 ' ' ASN . 4.4 p -61.18 -7.58 2.85 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.601 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' 1366 ' ' CYS . 13.1 m120 93.2 52.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.228 0.955 . . . . 0.0 109.572 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.5 m95 37.58 77.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.682 -1.145 . . . . 0.0 112.038 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.459 ' O ' HD23 ' A' 1363 ' ' LEU . 43.2 m-20 -152.49 136.05 16.05 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.244 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1370 ' ' LEU . . . . . 0.434 HD12 HD12 ' B' ' 8' ' ' LEU . 15.4 mt -60.46 -78.1 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.17 -40.43 15.86 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.541 ' HA ' ' OD1' ' A' 1375 ' ' ASN . . . -61.57 -50.72 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.095 0.474 . . . . 0.0 110.777 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1373 ' ' ALA . . . . . 0.62 ' HB3' ' HA ' ' A' 1363 ' ' LEU . . . -63.27 -30.68 71.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.443 ' O ' ' HG ' ' A' 1378 ' ' LEU . 36.9 m -71.64 -55.65 7.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.607 ' HA ' HD12 ' A' 1378 ' ' LEU . 0.4 OUTLIER -56.23 -30.45 62.38 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1376 ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' 1380 ' ' SER . 88.0 t80 -68.1 -57.5 5.98 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.808 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 60.7 mt -51.51 -34.61 36.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.607 HD12 ' HA ' ' A' 1375 ' ' ASN . 88.0 mt -57.01 -55.93 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -94.78 -68.28 0.81 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1380 ' ' SER . . . . . 0.483 ' HB3' ' O ' ' A' 1376 ' ' PHE . 25.0 p 41.37 -158.74 0.01 OUTLIER 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.851 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.015 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.76 0.314 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -125.83 146.99 49.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.521 ' HB ' HD23 ' B' ' 67' ' ' LEU . 47.6 pt -128.38 159.97 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.985 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -123.46 105.87 10.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.449 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 11.0 t -71.84 148.4 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -135.86 107.11 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.311 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.428 HG23 ' HB3' ' B' ' 69' ' ' LEU . 66.8 p -86.38 147.44 26.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.434 HD12 HD12 ' A' 1370 ' ' LEU . 3.5 mm? -62.45 -21.93 65.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.721 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.5 p -67.9 -28.75 67.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.0 35.4 1.83 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -120.54 129.64 53.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.769 0.318 . . . . 0.0 110.744 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.7 m -105.32 127.79 53.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.449 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 28.4 mt -114.07 145.75 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -121.56 123.98 43.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.907 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.413 ' HG ' ' HZ3' ' B' ' 33' ' ' LYS . 0.9 OUTLIER -137.03 165.73 25.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.156 -179.873 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -123.72 105.82 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.458 HG12 ' HZ2' ' B' ' 29' ' ' LYS . 24.0 m -109.49 -170.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.441 -179.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -115.57 169.87 8.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.727 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.2 t -75.23 -32.75 61.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -95.92 10.47 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.72 143.14 53.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -92.65 155.94 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.3 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.483 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.5 mm -62.33 -45.73 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.188 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -52.21 -36.17 51.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.757 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.494 HD22 ' HD2' ' B' ' 29' ' ' LYS . 5.9 t30 -70.32 -35.54 73.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.829 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.89 -55.07 23.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.666 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 3.8 mptp? -55.07 -38.38 67.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.434 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -62.43 -49.91 73.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.494 ' HD2' HD22 ' B' ' 25' ' ' ASN . 61.8 mtpt -56.5 -46.24 80.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.48 -40.58 86.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.335 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -62.45 -39.04 92.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -88.53 -6.64 57.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.581 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.413 ' HZ3' ' HG ' ' B' ' 15' ' ' LEU . 83.8 tttt -106.45 -68.59 0.87 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.648 0.261 . . . . 0.0 111.585 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -78.31 -67.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.002 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.3 1.24 0.57 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.307 -0.949 . . . . 0.0 113.38 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.477 HG21 ' HB3' ' B' ' 41' ' ' GLN . 4.0 mp -81.67 125.59 77.83 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 117.145 0.473 . . . . 0.0 110.583 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HG2' ' NE2' ' B' ' 40' ' ' GLN . 32.2 Cg_exo -58.86 143.49 99.29 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.462 2.108 . . . . 0.0 112.554 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.544 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 11.6 Cg_exo -71.24 -43.76 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.018 2.478 . . . . 0.0 112.644 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.28 8.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.525 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.56 ' HB3' ' HA ' ' B' ' 72' ' ' ARG . 37.2 mt-30 -131.6 -20.1 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.273 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.649 ' HG3' ' HG3' ' B' ' 27' ' ' LYS . 29.0 pt20 -105.04 137.83 42.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 111.84 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.469 ' NE ' HD22 ' B' ' 71' ' ' LEU . 99.7 mtt180 -127.95 148.77 50.52 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.732 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.666 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 1.9 tp -97.72 132.59 43.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.044 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.513 HD12 HG12 ' B' ' 70' ' ' VAL . 71.3 mt -126.92 139.89 50.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 111.334 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -142.77 131.14 22.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.465 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.32 14.37 7.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.263 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.57 18.5 54.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.661 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -126.31 138.31 53.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.835 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -75.02 128.01 34.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.792 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.471 HD11 ' HB3' ' B' ' 43' ' ' LEU . 37.6 mt -86.63 105.58 16.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.746 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.65 153.74 27.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.483 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.6 m-20 -84.93 4.22 34.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.8 -4.93 58.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -128.89 177.37 7.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 46.4 p -103.82 -177.51 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.193 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.409 ' HB3' HD13 ' B' ' 61' ' ' ILE . 62.5 mt -69.03 -36.26 77.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.3 m -66.81 -23.78 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -64.36 -27.89 69.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.215 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -110.76 2.62 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.056 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 59.66 96.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.278 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.409 HD13 ' HB3' ' B' ' 56' ' ' LEU . 74.7 mt -124.08 129.07 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -77.89 -177.83 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.981 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -89.66 146.32 24.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.756 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 60.45 22.18 11.82 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.861 0.363 . . . . 0.0 110.575 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.4 m -65.97 170.38 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.983 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.1 m -112.36 104.99 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.392 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.521 HD23 ' HB ' ' B' ' 3' ' ' ILE . 4.4 mm? -89.74 154.13 20.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.49 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.4 m-70 -115.11 141.6 47.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.996 0.426 . . . . 0.0 111.711 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.428 ' HB3' HG23 ' B' ' 7' ' ' THR . 8.6 tp -104.31 104.78 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.693 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.64 HG22 ' H ' ' B' ' 71' ' ' LEU . 1.3 p -111.95 172.3 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.777 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.64 ' H ' HG22 ' B' ' 70' ' ' VAL . 11.8 tp 88.52 -140.63 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 O-C-N 124.114 0.884 . . . . 0.0 111.03 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.56 ' HA ' ' HB3' ' B' ' 40' ' ' GLN . 8.3 mmm180 73.07 54.72 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.326 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 72.5 mt -128.13 -179.12 4.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.924 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -129.74 136.76 50.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.72 73.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.474 -179.89 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 58.7 p . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.802 0.334 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1340 ' ' THR . . . . . 0.426 HG22 ' HB2' ' A' 1343 ' ' SER . 2.9 t -111.03 141.9 25.16 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.257 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.31 -46.74 5.27 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.668 2.246 . . . . 0.0 112.398 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1342 ' ' LYS . . . . . 0.414 ' O ' HG21 ' A' 1346 ' ' VAL . 60.9 mttp -46.29 -45.94 17.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.399 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1343 ' ' SER . . . . . 0.426 ' HB2' HG22 ' A' 1340 ' ' THR . 49.3 m -79.4 -31.68 42.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.155 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.5 -44.88 85.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.3 94.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 110.755 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1346 ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' 1342 ' ' LYS . 64.0 t -61.86 -36.88 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.8 -30.44 45.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -74.85 -24.59 58.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.132 0.492 . . . . 0.0 110.096 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.436 HD13 HD12 ' A' 1363 ' ' LEU . 81.0 mt -87.4 -14.87 39.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 70.1 m -69.8 -33.5 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.677 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -78.09 -10.27 86.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.472 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 94.2 mmm -70.92 -62.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 168.85 14.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.65 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1354 ' ' PHE . . . . . 0.407 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -137.76 159.82 40.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.85 0.357 . . . . 0.0 111.094 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.0 p -72.83 178.57 4.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.678 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -73.61 -30.04 62.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.422 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.21 -55.96 20.65 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.836 0.35 . . . . 0.0 110.773 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1358 ' ' GLU . . . . . 0.445 ' HA ' ' ND2' ' A' 1361 ' ' ASN . 17.9 mm-40 -56.62 -37.3 70.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -72.31 -28.91 63.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.611 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -66.76 -53.46 32.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1361 ' ' ASN . . . . . 0.445 ' ND2' ' HA ' ' A' 1358 ' ' GLU . 4.3 p30 -66.28 -43.63 85.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 0.0 110.481 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.05 65.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.314 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.436 HD12 HD13 ' A' 1349 ' ' LEU . 11.7 mt -61.63 -60.0 4.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.574 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -46.01 -64.9 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.868 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -49.31 -56.13 10.51 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 124.019 0.825 . . . . 0.0 111.867 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.459 ' O ' ' CB ' ' A' 1367 ' ' ASN . 76.5 m -54.27 -15.05 1.36 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.496 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' 1366 ' ' CYS . 14.1 t-20 97.27 49.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.387 1.054 . . . . 0.0 109.179 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.422 ' N ' ' O ' ' A' 1363 ' ' LEU . 95.4 m95 41.62 78.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.222 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.419 ' O ' HD21 ' A' 1363 ' ' LEU . 43.5 m-20 -145.18 137.23 25.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.53 -73.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.966 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1371 ' ' GLU . . . . . 0.455 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.2 OUTLIER -49.45 -43.54 44.99 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.455 ' N ' ' HG2' ' A' 1371 ' ' GLU . . . -60.97 -40.53 93.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.828 0.347 . . . . 0.0 111.237 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -63.37 -55.09 27.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.62 HG22 HG22 ' B' ' 70' ' ' VAL . 26.9 m -54.83 -43.35 72.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.036 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.457 ' HA ' HD13 ' A' 1378 ' ' LEU . 2.8 t30 -63.48 -29.99 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.043 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1376 ' ' PHE . . . . . 0.464 ' HA ' ' HB2' ' A' 1380 ' ' SER . 38.5 t80 -68.32 -37.4 80.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.19 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.6 mm? -74.79 -24.8 58.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' 1375 ' ' ASN . 38.3 mt -80.64 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.448 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -88.78 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.416 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1380 ' ' SER . . . . . 0.464 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 57.9 m -57.47 174.91 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.962 0.411 . . . . 0.0 111.315 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.16 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.516 ' HG2' ' HZ1' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.66 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -107.26 168.38 9.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -143.36 141.69 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.924 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -108.96 93.16 4.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' B' ' 67' ' ' LEU . 70.8 t -90.86 104.78 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -89.06 143.47 26.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 70.7 p -103.76 159.34 15.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.518 HD13 HG13 ' B' ' 70' ' ' VAL . 92.0 mt -69.25 -15.45 63.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -77.65 -12.87 60.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.227 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.53 48.88 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.414 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -132.01 151.67 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.772 0.32 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -115.09 96.98 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.485 HD13 HG23 ' B' ' 30' ' ' ILE . 56.9 mt -85.28 110.15 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 74.5 m -99.6 121.79 41.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.29 172.86 11.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -127.86 112.47 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.39 -169.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.74 169.4 13.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.816 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 55.7 m -69.19 -24.29 64.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.9 m -97.54 10.08 40.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.55 152.8 31.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.9 p -107.75 163.43 13.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.406 ' O ' ' HG2' ' B' ' 27' ' ' LYS . 44.9 mm -61.33 -47.34 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -50.47 -44.11 55.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.31 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -59.39 -45.97 89.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.32 -40.84 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.503 ' HE3' ' HB2' ' B' ' 43' ' ' LEU . 5.8 mmmm -61.51 -45.83 92.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.602 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 68.4 m -60.75 -42.61 97.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -58.81 -47.22 85.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.86 0.362 . . . . 0.0 110.524 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.485 HG23 HD13 ' B' ' 13' ' ' ILE . 59.5 mt -65.16 -30.96 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.562 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -73.93 -28.36 61.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.114 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -87.32 -22.25 25.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.056 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -87.89 -67.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.18 -69.96 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.635 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.14 3.57 0.88 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.569 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 32.0 mm -60.83 113.24 7.2 Favored Pre-proline 0 CA--C 1.533 0.295 0 O-C-N 122.982 -0.128 . . . . 0.0 110.8 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.51 155.14 5.46 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.558 2.172 . . . . 0.0 112.739 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.691 ' HA ' HE21 ' B' ' 41' ' ' GLN . 61.3 Cg_endo -72.69 -41.97 1.36 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.694 2.262 . . . . 0.0 112.631 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.37 9.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.199 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.537 ' HG3' ' HG ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER -126.12 -45.03 1.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.543 -179.517 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.691 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.8 pt20 -66.33 134.68 53.09 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.548 ' HD2' ' HA ' ' B' ' 72' ' ' ARG . 78.1 mtp180 -129.1 121.96 28.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.361 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.503 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 6.3 tp -89.19 120.77 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.959 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.8 mt -127.35 143.49 40.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.419 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -149.87 128.33 12.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.759 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.22 22.65 12.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.85 -7.4 80.2 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.651 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -91.16 139.82 30.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 111.058 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.24 107.43 15.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.403 ' HB2' ' HB3' ' B' ' 43' ' ' LEU . 85.8 mt -67.0 104.92 1.49 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -78.44 138.67 38.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -75.27 113.61 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.63 -33.22 0.9 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -103.99 169.1 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -83.02 175.35 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.457 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.437 ' HB3' HD12 ' B' ' 61' ' ' ILE . 40.8 mt -71.6 -31.54 67.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.034 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -68.25 -25.69 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.44 -33.75 74.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -105.58 8.63 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.01 91.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.248 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.437 HD12 ' HB3' ' B' ' 56' ' ' LEU . 64.7 mt -127.31 119.58 52.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -75.27 -173.81 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.516 ' HZ1' ' HG2' ' B' ' 1' ' ' MET . 4.8 mptp? -87.22 142.03 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 58.28 24.34 11.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -59.95 169.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.1 m -109.46 106.88 16.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.289 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.432 ' HB2' HG22 ' B' ' 5' ' ' VAL . 7.5 mp -101.39 168.35 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.25 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -127.94 153.22 46.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 111.079 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' B' ' 41' ' ' GLN . 12.8 tp -122.86 114.3 20.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.188 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.62 HG22 HG22 ' A' 1374 ' ' THR . 44.7 t -117.65 155.4 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 111.561 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.537 ' HG ' ' HG3' ' B' ' 40' ' ' GLN . 0.9 OUTLIER -89.49 135.99 33.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.862 179.188 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.548 ' HA ' ' HD2' ' B' ' 42' ' ' ARG . 25.1 mmm180 -50.78 -71.9 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.634 0.254 . . . . 0.0 110.471 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 tp -179.09 157.68 0.86 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.761 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -113.16 13.76 19.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.92 85.69 0.1 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.266 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.527 -179.915 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.555 0.217 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1340 ' ' THR . . . . . 0.526 HG21 ' HB2' ' A' 1343 ' ' SER . 0.0 OUTLIER 38.57 99.12 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.363 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.397 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1341 ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' 1340 ' ' THR . 8.3 Cg_endo -50.09 -49.81 15.16 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.948 2.432 . . . . 0.0 112.469 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1342 ' ' LYS . . . . . 0.572 ' HZ3' ' HB2' ' A' 1342 ' ' LYS . 9.8 mtmp? -49.46 -39.46 33.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.894 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1343 ' ' SER . . . . . 0.526 ' HB2' HG21 ' A' 1340 ' ' THR . 48.9 m -81.27 -29.92 34.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.012 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.02 -38.89 77.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.756 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.08 90.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 38.8 t -67.96 -32.17 55.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.822 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -74.32 -37.55 63.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.34 -48.12 65.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1349 ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.09 -38.64 89.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.103 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 46.9 t -61.18 -22.54 64.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -98.29 31.35 8.12 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.283 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 85.9 mtp -122.46 -68.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 0.0 110.97 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -167.15 11.74 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.762 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.47 171.09 14.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.796 0.332 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.3 p -88.13 177.29 6.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -73.11 -27.0 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.95 -60.5 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -55.89 -33.65 64.81 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.694 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.94 -43.72 78.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -60.16 -53.35 58.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.105 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -59.31 -43.85 92.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.15 77.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.366 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' 1368 ' ' TRP . 5.5 mt -61.37 -59.52 5.15 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 111.077 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.59 -64.25 0.77 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.889 -178.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 99.8 mttt -51.12 -52.66 41.67 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.882 0.739 . . . . 0.0 111.64 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' 1367 ' ' ASN . 95.8 m -60.27 -9.07 2.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.694 0.283 . . . . 0.0 110.325 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' 1366 ' ' CYS . 18.1 t-20 92.53 53.63 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.142 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.487 ' N ' ' O ' ' A' 1363 ' ' LEU . 72.0 m95 39.65 77.44 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.647 -178.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.426 ' O ' HD21 ' A' 1363 ' ' LEU . 37.1 m-20 -146.09 126.49 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.103 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1370 ' ' LEU . . . . . 0.478 ' HG ' HD12 ' B' ' 8' ' ' LEU . 31.0 tp -61.48 -65.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.96 -37.69 46.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.667 0.27 . . . . 0.0 111.072 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1372 ' ' ALA . . . . . . . . . . . . . . . -69.64 -35.67 75.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.424 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1373 ' ' ALA . . . . . 0.411 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -62.36 -49.84 73.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.167 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.537 HG22 HG21 ' B' ' 70' ' ' VAL . 31.8 m -58.84 -44.77 91.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.455 ' HA ' HD13 ' A' 1378 ' ' LEU . 1.6 t30 -60.95 -26.07 67.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.072 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1376 ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' 1373 ' ' ALA . 45.3 t80 -70.52 -49.62 46.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.116 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.68 -19.99 65.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' 1375 ' ' ASN . 76.5 mt -82.06 -61.14 1.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.13 -63.82 1.17 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.389 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 44.3 m -52.35 161.57 0.64 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.081 -179.865 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -128.85 157.01 42.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 111.032 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -131.69 137.87 54.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -102.77 94.45 5.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.521 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 70.9 t -75.07 147.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.955 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -135.48 109.98 8.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.105 0.479 . . . . 0.0 111.385 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.43 HG21 HD23 ' B' ' 69' ' ' LEU . 66.5 p -82.44 155.49 24.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.293 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.478 HD12 ' HG ' ' A' 1370 ' ' LEU . 90.2 mt -77.6 6.9 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -104.12 6.92 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.8 54.65 4.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -143.87 125.15 14.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 111.074 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -96.95 136.69 37.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.753 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.521 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 36.1 mt -128.58 98.97 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.147 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 34.1 m -87.57 112.73 22.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.401 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.509 HD11 ' HE3' ' B' ' 29' ' ' LYS . 42.4 tp -112.31 152.18 28.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.229 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -113.28 110.6 20.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.39 -170.84 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -123.28 -178.64 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -75.95 -25.76 56.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -90.87 11.24 23.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.074 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.16 145.45 28.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.708 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.425 ' O ' HG21 ' B' ' 26' ' ' VAL . 71.3 p -108.81 158.07 17.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.88 0.371 . . . . 0.0 111.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.71 -44.03 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.374 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -56.26 -32.66 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.049 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -78.85 -34.22 45.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.425 HG21 ' O ' ' B' ' 22' ' ' THR . 91.6 t -58.8 -53.74 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.337 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.451 ' HZ1' ' N ' ' B' ' 43' ' ' LEU . 5.5 mptp? -53.31 -38.58 63.31 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.2 m -64.09 -47.66 79.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.405 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.509 ' HE3' HD11 ' B' ' 15' ' ' LEU . 29.7 mtpp -60.22 -36.71 78.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.543 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.7 mt -72.56 -29.03 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.68 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -72.44 -36.78 68.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.747 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.52 -9.36 54.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -98.65 -36.93 9.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.068 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -116.28 -76.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.016 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.7 0.51 0.27 Allowed Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.163 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.423 ' N ' HD12 ' B' ' 36' ' ' ILE . 3.1 mp -66.45 133.63 94.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.833 0.317 . . . . 0.0 110.415 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.22 131.07 43.6 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.282 1.988 . . . . 0.0 112.046 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.53 ' HA ' HE21 ' B' ' 41' ' ' GLN . 70.1 Cg_endo -74.84 -42.59 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.572 2.181 . . . . 0.0 112.894 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -71.42 4.61 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.578 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.4 ' HG2' ' HB3' ' B' ' 71' ' ' LEU . 52.5 tt0 -124.79 -38.31 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.572 ' HB2' HD13 ' B' ' 69' ' ' LEU . 28.9 pt20 -75.4 143.79 42.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 81.7 mtt180 -140.93 141.87 34.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.501 ' HB3' HD11 ' B' ' 50' ' ' LEU . 6.2 mt -86.18 144.44 27.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.477 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.534 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 55.1 mt -135.96 130.84 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.783 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -142.32 130.52 22.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.861 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.39 19.44 7.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.16 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.0 25.76 39.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.57 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -128.27 144.83 51.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.4 ' HB2' HD21 ' A' 1378 ' ' LEU . 0.0 OUTLIER -84.22 108.83 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.265 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.501 HD11 ' HB3' ' B' ' 43' ' ' LEU . 23.9 mt -64.86 99.51 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.119 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.32 146.28 29.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.46 129.76 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.782 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.43 -22.45 11.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.57 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -91.69 160.41 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 30.4 p -83.95 165.0 19.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.12 -32.89 74.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.6 p -66.79 -21.62 66.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.19 -6.93 26.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.457 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.9 m-85 -126.88 11.38 7.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.12 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.5 m120 58.51 25.66 13.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.232 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.457 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.5 mt -57.2 126.08 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -83.23 171.78 13.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -80.89 141.47 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 58.06 19.9 6.41 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.5 t -71.17 157.09 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.9 m -95.22 121.94 37.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.054 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.78 145.15 39.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.658 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.534 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 19.4 m-70 -95.37 136.02 36.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.572 HD13 ' HB2' ' B' ' 41' ' ' GLN . 43.0 tp -117.7 118.38 31.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.726 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.537 HG21 HG22 ' A' 1374 ' ' THR . 43.8 t -129.62 148.86 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.4 ' HB3' ' HG2' ' B' ' 40' ' ' GLN . 59.7 mt -78.31 162.92 26.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.175 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -94.72 -27.9 15.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.821 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.6 mt 66.23 112.19 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.246 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -89.14 127.74 35.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.619 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.58 91.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.139 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.459 -179.878 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 3.9 t -75.75 143.84 75.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.217 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.28 -48.69 5.71 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.76 2.307 . . . . 0.0 112.753 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -46.16 -45.45 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.793 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 60.2 m -74.24 -34.83 63.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 0.0 110.827 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.68 -30.85 71.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.41 71.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 47.5 t -61.82 -35.71 69.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.046 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -74.73 -37.59 62.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -24.84 61.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 110.337 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.46 HD11 HD11 ' A' 1363 ' ' LEU . 81.1 mt -87.23 -30.12 21.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.272 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1350 ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' 1354 ' ' PHE . 47.5 t -66.92 -11.25 55.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.067 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.53 15.22 56.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.705 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1352 ' ' MET . . . . . 0.458 ' HA ' ' NE2' ' B' ' 68' ' ' HIS . 70.4 mtp -102.02 -43.13 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.57 0.224 . . . . 0.0 111.189 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 161.9 6.95 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.849 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1354 ' ' PHE . . . . . 0.44 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -133.6 151.58 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.7 p -62.98 174.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.491 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.74 -27.71 63.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.45 -56.2 15.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.654 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1358 ' ' GLU . . . . . 0.417 ' HB3' HD12 ' A' 1377 ' ' LEU . 10.6 mm-40 -54.09 -37.79 64.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -70.88 -36.55 72.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -62.68 -56.74 14.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -58.85 -48.55 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.32 64.0 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.539 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.46 HD11 HD11 ' A' 1349 ' ' LEU . 11.1 mt -57.87 -59.23 5.56 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.415 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -46.04 -64.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.041 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -50.71 -52.74 37.43 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 124.173 0.92 . . . . 0.0 111.765 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.441 ' O ' ' CB ' ' A' 1367 ' ' ASN . 94.1 m -56.09 -14.09 2.43 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' 1366 ' ' CYS . 0.2 OUTLIER 94.48 51.45 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 108.832 179.276 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1368 ' ' TRP . . . . . . . . . . . . . 82.0 m95 40.05 80.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.317 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.535 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 16.3 t70 -148.13 138.42 22.75 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.706 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.9 -75.76 0.07 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1371 ' ' GLU . . . . . 0.411 ' OE1' ' HA ' ' B' ' 73' ' ' LEU . 13.2 pt-20 -48.8 -38.71 22.81 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.535 ' HB1' ' HB3' ' A' 1369 ' ' ASP . . . -63.33 -42.69 98.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.814 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.15 73.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.718 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.46 ' O ' ' HG ' ' A' 1378 ' ' LEU . 76.3 m -59.54 -51.26 70.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.981 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.534 ' HA ' HD11 ' A' 1378 ' ' LEU . 2.9 t30 -55.95 -28.35 56.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.16 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 20.9 t80 -66.78 -59.76 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.124 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1377 ' ' LEU . . . . . 0.417 HD12 ' HB3' ' A' 1358 ' ' GLU . 4.2 mm? -53.49 -19.59 3.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.628 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.534 HD11 ' HA ' ' A' 1375 ' ' ASN . 17.1 mt -90.82 -46.65 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.658 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -93.4 -53.03 4.24 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 19.3 p -43.14 -41.14 3.56 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.539 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.104 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptm . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.777 0.323 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -131.75 159.96 36.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.498 ' HB ' HD12 ' B' ' 67' ' ' LEU . 38.8 pt -137.32 154.32 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.988 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -111.55 95.2 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.523 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 73.4 t -68.66 131.93 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -121.83 101.91 7.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.532 HG23 ' HB3' ' B' ' 69' ' ' LEU . 72.3 p -84.35 152.71 23.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.402 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.66 -17.89 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -75.51 -4.21 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.735 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.82 49.37 4.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.416 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 39.1 ttmt -128.46 133.37 48.5 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 111.102 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.8 m -107.83 98.16 7.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.502 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 13.7 mt -96.13 113.18 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.602 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 38.4 m -90.24 123.2 33.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.583 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.5 tp -121.6 145.68 47.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.357 . . . . 0.0 111.355 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -113.76 100.48 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.885 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.7 m -115.45 -174.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.707 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -110.76 175.05 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.4 p -76.2 -32.47 59.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 44.3 t -79.48 -3.47 46.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.01 140.16 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 77.4 p -96.19 170.54 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.38 -48.73 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -51.74 -42.34 62.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.373 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.03 -48.29 82.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -52.81 -45.62 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -56.12 -41.11 74.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.37 . . . . 0.0 110.717 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.1 m -63.74 -50.6 68.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.094 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -53.68 -41.58 67.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -73.52 -28.69 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.958 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -65.27 -42.4 93.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -86.51 -14.69 42.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.126 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.67 -53.29 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -103.65 -65.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.15 6.1 0.68 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.766 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.454 HG21 ' HB3' ' B' ' 41' ' ' GLN . 42.0 mm -64.14 125.79 88.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.596 0.198 . . . . 0.0 110.77 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.499 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 13.2 Cg_endo -56.98 149.07 64.23 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.38 2.054 . . . . 0.0 112.209 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.639 ' HA ' HE21 ' B' ' 41' ' ' GLN . 90.2 Cg_endo -77.98 -42.5 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.679 2.253 . . . . 0.0 112.983 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -70.58 4.01 2.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.499 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 78.2 mm-40 -121.15 -54.58 2.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.639 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.3 pt20 -53.18 135.18 38.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.676 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -138.39 120.05 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.714 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.519 ' HB3' HD12 ' B' ' 50' ' ' LEU . 3.5 mt -80.05 135.29 36.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.103 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.477 HG12 ' NE2' ' B' ' 49' ' ' GLN . 32.9 mt -135.95 141.43 41.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 120.921 0.391 . . . . 0.0 111.129 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -156.13 139.94 16.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.756 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.15 14.03 7.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.266 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.58 3.91 77.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.921 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -121.24 141.32 51.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.477 ' NE2' HG12 ' B' ' 44' ' ' ILE . 7.2 tp-100 -69.98 131.41 44.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.995 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' B' ' 43' ' ' LEU . 65.7 mt -83.15 99.39 9.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.465 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.93 159.44 7.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.046 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -87.39 145.95 26.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.038 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.22 -42.57 1.86 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -74.16 162.96 28.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 46.1 p -91.97 -177.9 4.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.543 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.444 ' HA ' HD12 ' B' ' 61' ' ' ILE . 54.5 mt -76.21 -33.71 59.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.139 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -68.36 -21.44 64.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.002 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -68.31 -14.95 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -120.59 16.99 12.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.328 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.4 m120 58.71 21.6 9.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.367 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' B' ' 56' ' ' LEU . 71.7 mt -59.18 106.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.0 110.973 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -69.84 -173.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.0 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -84.02 149.93 25.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 43.78 29.24 0.28 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.498 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.1 m -68.74 159.62 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.451 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 35.3 m -95.06 107.98 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 111.246 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.498 HD12 ' HB ' ' B' ' 3' ' ' ILE . 7.4 mp -101.96 165.25 11.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.498 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.458 ' NE2' ' HA ' ' A' 1352 ' ' MET . 48.5 m-70 -122.32 157.1 32.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.992 0.425 . . . . 0.0 111.209 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.537 HD21 ' HB2' ' B' ' 41' ' ' GLN . 2.4 tm? -139.05 103.85 4.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.518 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.34 144.44 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.65 156.55 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -56.3 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.411 ' HA ' ' OE1' ' A' 1371 ' ' GLU . 0.1 OUTLIER -177.39 32.23 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 56.96 92.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.42 85.21 1.08 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.451 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.522 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.972 0.415 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1340 ' ' THR . . . . . 0.462 HG23 ' HB3' ' A' 1343 ' ' SER . 0.9 OUTLIER -53.83 116.81 10.87 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.899 179.395 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.53 -49.56 4.29 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.482 2.122 . . . . 0.0 112.991 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 62.3 mttp -48.73 -48.27 40.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.781 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1343 ' ' SER . . . . . 0.462 ' HB3' HG23 ' A' 1340 ' ' THR . 38.9 t -83.46 -29.19 28.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.427 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.93 -46.33 89.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -59.39 -45.61 91.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 42.0 t -62.13 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.279 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.07 -27.57 65.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -81.15 -27.61 35.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.137 0.494 . . . . 0.0 110.029 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.477 HD13 HD12 ' A' 1363 ' ' LEU . 74.6 mt -83.48 -20.75 33.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.011 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 96.3 p -70.34 -26.97 64.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -83.93 -2.01 89.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.306 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.0 mmm -79.32 -61.46 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 171.32 13.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.701 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.18 161.89 35.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.96 0.41 . . . . 0.0 111.215 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.3 p -69.62 175.77 3.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.642 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.69 -26.11 60.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.202 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -59.33 3.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -54.77 -35.99 64.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.3 76.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.0 -53.28 59.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.808 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -62.41 -46.24 89.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.759 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.0 75.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.527 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.477 HD12 HD13 ' A' 1349 ' ' LEU . 12.1 mt -63.62 -59.25 4.86 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.134 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -45.7 -64.25 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.649 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1365 ' ' LYS . . . . . 0.638 ' HB3' ' HZ3' ' A' 1365 ' ' LYS . 4.1 mmmp? -50.54 -53.94 26.33 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.913 0.758 . . . . 0.0 111.794 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.489 ' O ' ' HB2' ' A' 1367 ' ' ASN . 1.8 p -58.0 -10.22 1.72 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.459 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.489 ' HB2' ' O ' ' A' 1366 ' ' CYS . 11.8 m120 93.83 49.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 O-C-N 124.284 0.99 . . . . 0.0 109.334 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' 1363 ' ' LEU . 79.2 m95 39.28 72.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.434 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.431 ' O ' HD21 ' A' 1363 ' ' LEU . 41.7 m-20 -140.48 142.86 35.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.691 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -77.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1371 ' ' GLU . . . . . 0.4 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -47.87 -40.46 21.65 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.736 -178.853 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' 1369 ' ' ASP . . . -61.93 -41.97 98.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.048 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1373 ' ' ALA . . . . . 0.423 ' HB3' HD21 ' A' 1363 ' ' LEU . . . -61.36 -53.27 58.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.797 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.557 HG23 HG21 ' B' ' 70' ' ' VAL . 40.3 m -54.14 -43.18 70.3 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.549 ' HA ' HD11 ' A' 1378 ' ' LEU . 2.8 t30 -64.2 -28.81 70.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.01 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 28.0 t80 -67.65 -39.36 84.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.937 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.34 -23.54 61.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' 1375 ' ' ASN . 26.1 mt -82.12 -63.8 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.181 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.3 -66.82 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.409 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 74.1 m -57.23 171.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.099 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -101.35 144.35 30.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 pt -131.04 151.58 36.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -122.82 101.36 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.154 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.517 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.4 t -87.53 140.02 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.483 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -127.8 133.02 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.413 . . . . 0.0 111.732 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.408 HG22 ' HB3' ' B' ' 69' ' ' LEU . 56.6 p -101.37 146.89 27.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.21 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.483 ' H ' HD21 ' B' ' 8' ' ' LEU . 2.6 mm? -58.52 -28.15 65.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.693 0.282 . . . . 0.0 111.289 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.9 m -63.56 -27.4 69.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.371 . . . . 0.0 110.716 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.36 59.42 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.303 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -141.58 141.17 33.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.036 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.7 m -104.99 144.56 31.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.517 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 28.9 mt -136.55 104.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.231 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -92.27 119.94 32.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.658 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 tp -127.83 146.76 50.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 111.573 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -101.56 95.66 6.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.239 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.3 m -109.17 -170.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.485 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -132.75 163.28 29.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.668 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.2 t -76.04 -18.05 59.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.114 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.0 t -93.91 3.14 55.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -86.68 166.69 15.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.609 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 70.2 p -107.72 171.53 7.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.925 0.393 . . . . 0.0 111.345 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.424 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 44.2 mm -69.79 -53.97 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.269 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.443 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 15.8 t70 -49.25 -32.81 11.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.58 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -70.48 -41.35 72.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 90.5 t -61.88 -40.8 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.514 ' HE3' ' HG ' ' B' ' 43' ' ' LEU . 1.8 mmmm -58.39 -45.16 88.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.681 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -63.04 -46.88 85.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.663 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -55.28 -38.49 68.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.835 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.55 -31.52 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.82 -37.81 85.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.29 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -82.16 -18.21 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.948 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -85.37 -66.91 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.58 -71.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.009 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.08 26.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.798 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.0 mm -89.76 130.88 41.4 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.493 0.147 . . . . 0.0 110.627 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -63.66 135.97 51.58 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.394 2.062 . . . . 0.0 112.39 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.451 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 7.4 Cg_exo -72.54 -33.15 8.93 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.785 2.324 . . . . 0.0 112.429 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.03 -6.16 21.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.249 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -117.34 -60.87 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.147 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.451 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.0 pt20 -50.74 143.26 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.746 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -138.68 125.0 20.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.337 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.514 ' HG ' ' HE3' ' B' ' 27' ' ' LYS . 22.7 mt -79.4 131.51 36.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.169 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.471 HD12 HD22 ' A' 1378 ' ' LEU . 54.6 mt -133.28 144.89 34.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.998 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -157.72 140.79 15.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.89 19.31 10.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.331 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.04 1.61 89.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.556 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -119.06 134.54 55.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.734 0.302 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.5 147.09 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.659 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -98.65 122.07 41.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.077 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.69 151.22 34.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.443 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 17.4 m-20 -84.65 15.93 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.358 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.92 1.86 21.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.693 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -132.58 170.88 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.5 p -89.94 -175.33 4.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.606 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.3 mt -78.07 -31.87 50.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.257 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 61.3 m -70.52 -24.68 62.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.611 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.9 -19.45 65.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.23 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -115.03 9.1 15.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.012 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 57.95 91.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -129.54 113.65 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.822 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -77.13 -179.53 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -79.67 152.47 29.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 58.65 19.69 7.01 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 79.8 p -63.82 159.39 19.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -107.08 105.16 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -91.36 156.27 17.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.666 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -112.82 145.81 39.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.408 ' HB3' HG22 ' B' ' 7' ' ' THR . 10.1 tp -119.87 108.95 14.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.425 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.557 HG21 HG23 ' A' 1374 ' ' THR . 19.3 t -117.32 134.67 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.902 0.382 . . . . 0.0 111.468 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.406 HD21 ' N ' ' B' ' 71' ' ' LEU . 3.7 mm? -73.6 143.32 46.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.7 -36.12 73.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.581 ' HG ' ' H ' ' B' ' 74' ' ' ARG . 8.1 tp 58.82 -173.98 0.1 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.677 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.581 ' H ' ' HG ' ' B' ' 73' ' ' LEU . 58.2 ttp180 65.66 141.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.424 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.91 92.6 0.11 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.574 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.53 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1340 ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' 1343 ' ' SER . 2.0 t -75.96 139.58 69.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.13 -38.36 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.578 2.185 . . . . 0.0 112.665 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -53.11 -34.55 57.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.912 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1343 ' ' SER . . . . . 0.463 ' HB3' HG23 ' A' 1340 ' ' THR . 38.8 t -83.49 -35.46 24.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.053 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 48.1 mt -57.4 -45.57 84.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.212 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.02 78.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.946 0.403 . . . . 0.0 110.939 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.2 t -57.32 -43.82 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.294 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -64.25 -48.9 73.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -26.2 66.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.851 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.437 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 76.8 mt -86.59 -29.68 22.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 48.0 t -67.15 -10.22 47.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -107.68 36.03 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.838 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 42.8 ttm -124.85 -37.39 2.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.31 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 159.85 14.38 0.04 OUTLIER Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.817 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1354 ' ' PHE . . . . . 0.437 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -144.51 164.8 29.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 111.088 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 69.9 p -82.33 179.83 7.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.677 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -70.41 -29.24 65.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.54 -57.49 9.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -54.46 -42.13 70.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.45 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.96 -30.69 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -64.24 -51.79 61.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.738 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -63.31 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.4 -52.19 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.237 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' 1368 ' ' TRP . 14.7 mt -59.79 -60.17 4.26 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.498 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -45.5 -64.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.192 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1365 ' ' LYS . . . . . 0.404 ' C ' ' H ' ' A' 1367 ' ' ASN . 67.0 mttm -51.95 -52.35 50.82 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.9 0.75 . . . . 0.0 111.533 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.521 ' O ' ' HB2' ' A' 1367 ' ' ASN . 94.5 m -61.3 -6.39 2.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.593 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.521 ' HB2' ' O ' ' A' 1366 ' ' CYS . 48.7 m-80 90.77 53.98 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.259 0.975 . . . . 0.0 109.342 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' 1363 ' ' LEU . 80.3 m95 40.98 37.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.935 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.425 ' O ' HD21 ' A' 1363 ' ' LEU . 28.3 m-20 -100.63 128.96 46.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.273 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.71 -71.58 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.85 -38.45 16.11 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.61 0.243 . . . . 0.0 111.329 -179.02 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1372 ' ' ALA . . . . . . . . . . . . . . . -65.7 -42.18 91.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.045 0.45 . . . . 0.0 110.308 179.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -60.36 -46.65 89.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.347 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.518 ' HB ' HG11 ' B' ' 70' ' ' VAL . 38.0 m -58.12 -49.02 78.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.456 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.2 t30 -58.99 -26.58 64.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.074 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1376 ' ' PHE . . . . . 0.475 ' HA ' ' HB2' ' A' 1380 ' ' SER . 32.1 t80 -70.22 -42.52 72.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.966 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.12 -18.74 62.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.146 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.57 HD21 ' HB2' ' B' ' 49' ' ' GLN . 47.8 mt -87.36 -62.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.816 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -93.42 -58.14 2.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1380 ' ' SER . . . . . 0.475 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 61.5 m -54.67 -11.66 0.62 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.876 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.048 179.695 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.516 ' HG3' ' HG3' ' B' ' 63' ' ' LYS . 27.2 ttt . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -122.1 163.38 19.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -137.49 145.97 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.75 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.95 96.7 6.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.375 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 69.7 t -74.55 128.56 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.614 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -105.12 95.08 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.624 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.556 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 45.4 p -75.29 143.39 42.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.683 0.278 . . . . 0.0 110.3 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.71 -7.61 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.024 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.4 p -85.06 -4.11 59.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.54 45.27 5.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.336 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' B' ' 12' ' ' THR . 7.2 tmtm? -137.35 127.92 26.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.012 0.434 . . . . 0.0 110.969 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.443 ' N ' ' HD3' ' B' ' 11' ' ' LYS . 70.2 m -101.08 107.12 18.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.635 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 55.9 mt -94.87 119.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.476 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -99.0 112.92 24.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.373 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -118.94 142.63 47.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.756 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -96.27 105.89 18.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.946 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 22.8 m -123.73 -176.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.428 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.55 159.01 35.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.665 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -72.62 -2.04 18.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.4 m -95.76 -18.1 20.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.27 141.81 45.31 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 49.7 p -80.71 162.64 24.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.77 -51.0 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -57.38 -35.87 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.288 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -63.07 -39.13 93.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.0 -49.28 83.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.313 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -52.18 -45.52 65.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.4 t -61.39 -47.67 84.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.528 ' HZ3' ' HB3' ' B' ' 29' ' ' LYS . 7.2 mtpm? -57.67 -34.37 69.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.12 -40.07 74.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.627 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.2 -37.3 84.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.556 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -80.84 -17.26 51.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -84.88 -68.11 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.39 -74.97 0.51 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.4 31.6 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.108 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.434 ' N ' HD12 ' B' ' 36' ' ' ILE . 4.4 mp -104.27 113.31 65.31 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.811 0.305 . . . . 0.0 110.701 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 51.1 Cg_exo -53.83 150.26 30.43 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.371 2.047 . . . . 0.0 112.257 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.09 -43.16 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.721 2.281 . . . . 0.0 112.985 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.93 8.38 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.98 0.419 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.671 ' O ' ' HB3' ' B' ' 71' ' ' LEU . 14.8 mm100 -123.18 -10.64 8.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.999 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.518 ' HB2' HD22 ' B' ' 69' ' ' LEU . 28.1 pt20 -126.87 138.39 53.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.185 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -127.46 131.87 50.11 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.381 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 33.5 mt -81.43 141.31 34.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.079 0.466 . . . . 0.0 112.033 -179.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.547 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 78.7 mt -132.97 137.33 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.09 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.95 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.5 ' HB2' HD23 ' B' ' 67' ' ' LEU . 72.2 t80 -147.56 129.61 15.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.81 23.26 13.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.208 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.41 16.6 77.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.56 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -122.63 127.76 49.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.57 ' HB2' HD21 ' A' 1378 ' ' LEU . 6.9 tp-100 -72.11 125.45 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.789 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.81 104.64 5.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.538 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.73 137.24 55.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.62 123.56 22.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.993 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.83 -42.03 1.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.79 178.94 8.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 110.765 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 55.5 p -101.54 -176.27 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 mt -80.67 -11.86 59.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.05 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -81.14 -23.56 38.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.452 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.2 -6.46 34.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.71 0.29 . . . . 0.0 111.41 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.405 ' HB2' HG13 ' B' ' 61' ' ' ILE . 87.5 m-85 -128.02 13.8 6.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.5 m120 57.61 19.98 5.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.451 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.405 HG13 ' HB2' ' B' ' 59' ' ' TYR . 72.5 mt -59.69 104.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.847 0.356 . . . . 0.0 110.598 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -84.18 -164.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.273 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.516 ' HG3' ' HG3' ' B' ' 1' ' ' MET . 1.5 mptm? -82.07 149.98 27.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 58.82 17.66 5.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.338 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -63.78 134.55 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 93.5 m -86.35 104.96 16.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.5 HD23 ' HB2' ' B' ' 45' ' ' PHE . 29.0 mt -95.86 172.1 8.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.484 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.547 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 75.7 m-70 -124.99 157.3 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.796 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.556 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 1.2 tm? -123.29 108.02 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.928 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.547 ' O ' ' HB2' ' B' ' 71' ' ' LEU . 39.6 t -142.96 139.97 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.671 ' HB3' ' O ' ' B' ' 40' ' ' GLN . 0.3 OUTLIER 166.54 -134.04 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.862 0.726 . . . . 0.0 109.835 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.552 ' HD2' HE21 ' B' ' 40' ' ' GLN . 9.2 mmm180 65.54 50.85 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -137.98 102.05 4.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 55.74 -87.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.322 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 110.95 7.7 24.92 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.326 -1.264 . . . . 0.0 112.525 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.68 0.276 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1340 ' ' THR . . . . . 0.504 HG21 ' HB2' ' A' 1343 ' ' SER . 1.2 t -67.41 145.41 98.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.938 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.78 -40.67 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.792 2.328 . . . . 0.0 112.866 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 59.5 mttp -53.59 -46.74 70.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.69 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1343 ' ' SER . . . . . 0.539 ' HA ' HG22 ' A' 1346 ' ' VAL . 63.6 m -64.64 -42.04 95.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.379 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 75.8 mt -54.91 -38.01 67.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -69.48 -41.09 76.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1346 ' ' VAL . . . . . 0.539 HG22 ' HA ' ' A' 1343 ' ' SER . 0.7 OUTLIER -66.03 -32.89 60.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.405 -179.306 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -70.67 -47.28 60.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.306 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.86 -42.03 78.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.389 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1349 ' ' LEU . . . . . 0.472 HD11 HD11 ' A' 1363 ' ' LEU . 79.1 mt -71.12 -20.34 62.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.962 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1350 ' ' SER . . . . . 0.459 ' HA ' ' O ' ' A' 1354 ' ' PHE . 35.9 t -77.53 -10.82 59.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.632 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -96.22 -0.95 61.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1352 ' ' MET . . . . . 0.409 ' HE2' HG22 ' A' 1374 ' ' THR . 25.9 mtt -92.95 -75.83 0.48 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.756 0.313 . . . . 0.0 110.959 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -163.99 8.7 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1354 ' ' PHE . . . . . 0.462 ' HB2' ' HB2' ' A' 1358 ' ' GLU . 0.3 OUTLIER -138.28 126.24 22.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.874 0.369 . . . . 0.0 110.898 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.8 p -59.42 178.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.264 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1356 ' ' GLU . . . . . 0.498 ' HA ' HG13 ' A' 1346 ' ' VAL . 1.1 mp0 -62.72 -16.0 55.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.531 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.95 -63.81 1.1 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.024 0.44 . . . . 0.0 110.236 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1358 ' ' GLU . . . . . 0.462 ' HB2' ' HB2' ' A' 1354 ' ' PHE . 40.7 mt-10 -56.17 -32.21 64.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.906 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1359 ' ' ALA . . . . . 0.457 ' HB1' HG13 ' A' 1346 ' ' VAL . . . -74.52 -36.31 63.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.048 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -57.11 -45.34 83.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.062 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -69.95 -51.28 34.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.89 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -52.35 -57.68 9.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.212 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1363 ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' 1368 ' ' TRP . 8.7 mt -58.79 -59.58 5.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.581 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -45.57 -64.59 0.7 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.345 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 65.7 tttm -50.65 -52.09 42.97 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 123.992 0.807 . . . . 0.0 111.542 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1366 ' ' CYS . . . . . 0.435 ' O ' ' CB ' ' A' 1367 ' ' ASN . 4.7 t -61.91 -10.05 8.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.481 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1367 ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' 1366 ' ' CYS . 0.2 OUTLIER 95.05 52.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.301 1.0 . . . . 0.0 109.166 179.468 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1368 ' ' TRP . . . . . 0.505 ' N ' ' O ' ' A' 1363 ' ' LEU . 82.0 m95 36.24 80.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.485 -1.234 . . . . 0.0 112.015 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1369 ' ' ASP . . . . . 0.453 ' O ' HD21 ' A' 1363 ' ' LEU . 39.6 m-20 -142.28 120.43 12.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.223 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1370 ' ' LEU . . . . . 0.582 HD13 HD22 ' B' ' 8' ' ' LEU . 3.1 tm? -52.01 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1371 ' ' GLU . . . . . 0.464 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -49.89 -47.25 52.11 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1372 ' ' ALA . . . . . 0.464 ' N ' ' HG2' ' A' 1371 ' ' GLU . . . -57.9 -40.54 80.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 0.0 111.027 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1373 ' ' ALA . . . . . 0.426 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -65.45 -41.98 92.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.954 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1374 ' ' THR . . . . . 0.596 ' HB ' HG23 ' B' ' 70' ' ' VAL . 41.7 m -55.08 -45.67 75.4 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1375 ' ' ASN . . . . . 0.555 ' HA ' HD11 ' A' 1378 ' ' LEU . 0.4 OUTLIER -65.89 -27.65 68.36 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.823 178.576 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1376 ' ' PHE . . . . . 0.422 ' HA ' ' HB2' ' A' 1380 ' ' SER . 33.3 t80 -65.16 -37.34 87.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.117 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.1 -27.57 57.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1378 ' ' LEU . . . . . 0.555 HD11 ' HA ' ' A' 1375 ' ' ASN . 26.9 mt -76.97 -57.96 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -93.07 -66.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.48 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1380 ' ' SER . . . . . 0.422 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 29.1 m -55.21 171.15 0.17 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.88 0.372 . . . . 0.0 111.346 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.114 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.46 ' HE1' ' HB3' ' B' ' 63' ' ' LYS . 23.3 ptm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.794 0.331 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -121.76 139.92 52.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.216 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.4 pt -113.15 152.39 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -117.42 99.54 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.381 . . . . 0.0 111.33 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.539 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 75.1 t -76.57 140.06 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.672 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -107.62 110.67 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.171 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.4 p -82.67 156.3 23.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.624 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.582 HD22 HD13 ' A' 1370 ' ' LEU . 88.5 mt -79.31 2.03 22.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -97.37 -10.98 24.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.922 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.59 46.0 2.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.56 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -136.1 145.19 45.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.942 0.401 . . . . 0.0 111.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 93.1 m -108.02 106.37 16.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.793 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 76.3 mt -85.82 120.43 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.244 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -102.68 113.49 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.75 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . 0.414 ' HG ' HG23 ' B' ' 13' ' ' ILE . 96.8 mt -122.5 137.32 54.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.301 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.73 102.05 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.254 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -110.96 -172.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.36 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -126.24 173.62 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 65.7 m -76.15 -5.99 49.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -111.63 -6.21 14.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.126 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.16 148.42 40.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.019 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 42.0 p -107.11 162.19 14.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -57.64 -49.4 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -51.45 -32.75 28.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.629 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -70.72 -46.66 62.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 111.051 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.4 t -52.19 -50.57 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.422 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.537 ' HB3' HE21 ' B' ' 41' ' ' GLN . 4.4 mmmm -51.66 -44.83 63.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.632 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -59.5 -45.37 91.89 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.27 -38.43 80.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.13 -43.75 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -62.52 -36.6 83.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.438 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -79.95 -10.65 59.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.174 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.483 ' HG2' HG22 ' B' ' 13' ' ' ILE . 57.8 tptt -90.11 -68.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.39 -70.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.784 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.85 37.0 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.757 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.464 HD13 ' N ' ' B' ' 36' ' ' ILE . 3.5 mp -85.76 130.25 51.5 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.5 115.06 2.21 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.679 2.252 . . . . 0.0 112.919 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.461 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 27.9 Cg_exo -63.05 -21.55 73.03 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.775 2.317 . . . . 0.0 112.646 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.13 -3.7 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.43 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -125.9 -49.99 1.59 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.649 0.261 . . . . 0.0 111.295 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.537 HE21 ' HB3' ' B' ' 27' ' ' LYS . 10.9 pt20 -56.22 143.05 35.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.06 0.457 . . . . 0.0 111.613 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -140.19 132.19 27.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.207 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.469 ' HB3' ' HB2' ' B' ' 50' ' ' LEU . 0.2 OUTLIER -78.2 140.05 38.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.689 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.425 HD13 HD12 ' A' 1378 ' ' LEU . 52.6 mt -135.65 143.72 35.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.321 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -152.16 125.51 8.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.395 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 19.24 9.95 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.317 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.37 3.9 71.6 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.606 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -101.02 130.39 47.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.34 . . . . 0.0 111.034 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -75.7 98.68 4.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.44 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.469 ' HB2' ' HB3' ' B' ' 43' ' ' LEU . 26.1 mt -62.47 106.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.85 176.37 6.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.4 162.09 24.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.618 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.89 -42.54 2.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.192 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -77.13 164.38 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.58 -176.42 3.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' B' ' 61' ' ' ILE . 6.9 mp -71.52 -21.42 61.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.842 0.353 . . . . 0.0 111.069 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.1 t -75.14 -22.6 58.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.9 -13.88 59.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.861 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.466 ' HB2' HG13 ' B' ' 61' ' ' ILE . 82.7 m-85 -126.49 5.14 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 57.76 30.14 18.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.466 HG13 ' HB2' ' B' ' 59' ' ' TYR . 60.6 mt -62.16 115.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -86.18 -176.51 5.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.46 ' HB3' ' HE1' ' B' ' 1' ' ' MET . 0.0 OUTLIER -95.92 159.4 14.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 59.83 17.47 6.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.808 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.5 m -82.96 166.36 18.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.546 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 70.6 m -113.24 102.51 10.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.045 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 25.1 mt -86.49 -179.65 6.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.331 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -131.34 158.77 39.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.237 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.473 HD13 ' HB2' ' B' ' 41' ' ' GLN . 17.5 tp -136.28 122.0 19.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.53 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.596 HG23 ' HB ' ' A' 1374 ' ' THR . 14.6 p -130.96 148.03 33.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.918 0.389 . . . . 0.0 111.538 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 97.5 mt -74.54 154.33 38.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.074 0.464 . . . . 0.0 111.333 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' B' ' 73' ' ' LEU . 80.1 ttt180 -86.84 -12.25 48.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.087 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' B' ' 72' ' ' ARG . 3.9 mm? 67.93 123.91 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -142.85 112.3 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.981 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.73 73.24 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.429 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.549 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.705 0.288 . . . . 0.0 111.617 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 37.6 t -79.1 -31.06 44.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 111.195 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.88 -42.29 89.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.96 74.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.774 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 41.6 t -60.7 -32.26 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.188 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -68.92 -50.17 51.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.052 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.07 -39.07 91.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.918 0.389 . . . . 0.0 110.393 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.438 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 81.9 mt -70.05 -29.18 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.326 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1350 ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' 1354 ' ' PHE . 46.0 t -69.84 -19.27 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.997 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.03 34.95 5.28 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.538 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 77.8 mtp -121.91 -40.47 2.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 162.66 8.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.055 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1354 ' ' PHE . . . . . 0.438 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -141.1 156.02 46.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.349 . . . . 0.0 111.0 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 56.0 p -70.16 175.5 4.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.704 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -73.04 -24.55 60.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -58.61 5.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.512 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -56.27 -40.21 73.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.706 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.01 -33.03 74.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.732 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -64.03 -54.28 36.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -59.81 -47.47 85.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.405 . . . . 0.0 110.757 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.43 -50.99 64.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.365 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' 1368 ' ' TRP . 10.1 mt -59.4 -59.31 5.66 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.523 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -45.34 -64.39 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.163 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -51.14 -50.88 58.04 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 124.05 0.844 . . . . 0.0 111.876 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.572 ' O ' ' HB2' ' A' 1367 ' ' ASN . 96.8 m -63.75 -7.42 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.823 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.572 ' HB2' ' O ' ' A' 1366 ' ' CYS . 4.0 m-20 93.07 52.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.4 1.062 . . . . 0.0 109.311 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' 1363 ' ' LEU . 70.5 m95 44.17 31.28 0.53 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.951 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 16.0 m-20 -93.75 127.59 39.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.783 0.325 . . . . 0.0 110.556 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.7 -64.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.105 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1371 ' ' GLU . . . . . 0.525 ' HG3' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -52.38 -41.83 63.47 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.772 0.32 . . . . 0.0 110.853 -179.526 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.525 ' N ' ' HG3' ' A' 1371 ' ' GLU . . . -65.75 -34.25 77.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.432 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -62.71 -53.41 54.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.115 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.614 HG21 HG21 ' B' ' 70' ' ' VAL . 17.0 m -57.22 -41.84 80.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.63 ' HA ' HD12 ' A' 1378 ' ' LEU . 5.1 t30 -61.05 -29.02 69.48 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.913 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' 1380 ' ' SER . 32.7 t80 -69.07 -48.67 62.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.582 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.57 -20.06 65.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' 1375 ' ' ASN . 57.4 mt -81.04 -61.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.399 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -93.34 -64.18 1.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.526 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' 1376 ' ' PHE . 28.0 m -48.46 129.88 16.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.461 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.091 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.719 0.295 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -117.17 154.74 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.183 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.458 ' HB ' HD23 ' B' ' 67' ' ' LEU . 44.5 pt -124.31 144.47 34.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.877 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -107.29 100.07 9.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.37 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 55.7 t -78.67 142.12 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.523 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -122.54 113.26 19.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.458 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.453 HG21 ' HZ3' ' B' ' 11' ' ' LYS . 61.4 p -83.37 154.5 24.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.87 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 66.7 mt -81.66 16.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 0.0 111.211 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 7.8 m -111.54 -11.47 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.796 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.16 33.23 4.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.414 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.558 ' HE3' ' HG2' ' B' ' 34' ' ' GLU . 8.0 ttpm? -121.27 134.98 55.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.977 0.418 . . . . 0.0 111.209 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 42.7 m -105.0 136.08 45.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 78.2 mt -126.23 125.84 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 111.44 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.8 m -106.5 113.24 26.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.375 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.48 147.72 35.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.006 0.431 . . . . 0.0 111.495 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -106.06 112.86 26.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.619 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -125.76 176.49 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 111.416 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -115.18 177.85 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.557 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.8 t -76.39 1.35 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.776 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 86.7 p -120.66 4.78 10.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.009 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.54 165.89 11.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.434 ' O ' HG23 ' B' ' 26' ' ' VAL . 35.3 p -130.2 160.58 33.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.433 HG22 ' HD3' ' B' ' 27' ' ' LYS . 39.9 mm -57.68 -54.02 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -47.24 -37.7 10.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.594 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -68.39 -40.69 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 111.057 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 22' ' ' THR . 12.7 t -58.11 -43.79 86.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.013 0.435 . . . . 0.0 110.938 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.561 ' HB3' HE21 ' B' ' 41' ' ' GLN . 4.6 mmmm -59.44 -47.88 83.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.994 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 98.5 p -59.14 -41.73 89.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.03 -47.24 83.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.51 -39.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.448 ' HB2' ' HG3' ' B' ' 38' ' ' PRO . 6.7 tp60 -59.82 -47.0 87.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.22 -15.76 59.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -77.93 -67.64 0.71 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.558 ' HG2' ' HE3' ' B' ' 11' ' ' LYS . 2.3 mp0 -104.08 -61.94 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.092 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.44 10.38 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.771 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.38 121.35 59.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.565 0.182 . . . . 0.0 110.638 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.447 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 88.6 Cg_exo -47.28 120.35 4.3 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.644 2.23 . . . . 0.0 112.654 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.505 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 20.7 Cg_exo -66.26 -32.17 42.54 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.716 2.278 . . . . 0.0 112.688 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -73.62 -6.29 45.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.328 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.447 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 18.0 mp0 -114.64 -53.71 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.473 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.561 HE21 ' HB3' ' B' ' 27' ' ' LYS . 13.9 pt20 -52.98 142.95 18.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.61 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -140.28 133.83 30.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.513 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.467 ' HB3' HD12 ' B' ' 50' ' ' LEU . 0.3 OUTLIER -80.12 136.28 36.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.561 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 20.3 mt -133.8 147.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.086 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -152.0 125.84 9.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.86 20.61 5.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.69 -26.71 22.05 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.386 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -85.86 126.34 33.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.498 ' HB2' HD22 ' A' 1378 ' ' LEU . 30.0 tt0 -72.87 128.61 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.936 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' B' ' 43' ' ' LEU . 52.5 mt -73.32 107.52 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.24 129.9 41.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.32 138.35 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.44 -48.15 0.97 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.659 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -70.24 166.67 19.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.872 0.367 . . . . 0.0 111.207 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 66.5 p -91.02 -173.31 3.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.288 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' B' ' 61' ' ' ILE . 41.7 mt -86.76 -16.96 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -79.61 -21.83 44.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.15 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -72.55 -14.78 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.304 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.543 ' HB2' HG13 ' B' ' 61' ' ' ILE . 78.3 m-85 -118.33 13.34 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.2 t30 57.27 22.51 7.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.543 HG13 ' HB2' ' B' ' 59' ' ' TYR . 90.7 mt -56.61 106.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.928 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -74.65 -167.52 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.218 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.482 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 3.6 mppt? -88.6 147.16 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.981 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 56.94 23.05 7.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -60.77 148.4 39.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.01 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.5 m -89.36 96.3 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.931 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.458 HD23 ' HB ' ' B' ' 3' ' ' ILE . 4.0 mm? -90.73 155.63 18.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.082 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.561 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 24.8 m-70 -120.14 151.86 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' B' ' 41' ' ' GLN . 14.8 tp -129.94 106.61 8.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.772 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' 1374 ' ' THR . 60.5 t -119.67 137.95 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.229 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.047 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 89.1 p -83.83 -46.05 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.758 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 91.5 mt -56.7 -32.92 65.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1345 ' ' ALA . . . . . 0.433 ' O ' ' HG ' ' A' 1349 ' ' LEU . . . -66.83 -51.14 59.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.722 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 57.1 t -63.69 -32.4 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.12 -52.54 16.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.11 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -39.38 78.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.308 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' 1345 ' ' ALA . 52.1 mt -68.53 -34.3 75.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.2 t -63.25 -24.14 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -98.88 40.21 2.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 69.0 mtp -129.26 -43.14 1.31 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.745 0.307 . . . . 0.0 111.041 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 165.85 5.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.711 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.83 165.79 24.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 81.5 p -80.02 179.8 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.17 -36.72 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -61.67 -60.42 3.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -50.75 -33.78 24.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.631 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1359 ' ' ALA . . . . . 0.403 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -70.34 -40.26 74.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.742 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -61.9 -50.84 70.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -61.69 -44.96 95.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.51 45.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.301 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' 1369 ' ' ASP . 11.9 mt -56.33 -58.69 6.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.242 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.18 -64.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.853 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -50.6 -53.94 26.64 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.928 0.768 . . . . 0.0 111.685 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.538 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 97.8 m -58.77 -9.95 2.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.573 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' 1366 ' ' CYS . 64.9 m-20 93.16 53.03 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.309 1.006 . . . . 0.0 109.17 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.3 m95 39.35 81.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.724 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 24.4 t70 -155.9 134.83 11.98 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.448 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1370 ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' 1370 ' ' LEU . 9.2 mt -62.66 -74.77 0.09 Allowed 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -46.17 -36.64 6.17 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.672 0.272 . . . . 0.0 111.528 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' 1366 ' ' CYS . . . -67.36 -42.97 82.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.866 0.365 . . . . 0.0 110.435 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1373 ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -65.15 -52.74 53.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.637 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.485 ' O ' ' HG ' ' A' 1378 ' ' LEU . 50.2 m -54.43 -50.06 68.52 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.694 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.0 t30 -57.71 -31.15 66.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.071 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.508 ' O ' ' HB3' ' A' 1380 ' ' SER . 46.5 t80 -66.48 -53.97 29.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.302 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.1 -25.37 4.99 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.901 0.382 . . . . 0.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' 1375 ' ' ASN . 28.7 mt -76.09 -52.28 10.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.462 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 13.9 t70 -94.12 -68.06 0.82 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.676 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.508 ' HB3' ' O ' ' A' 1376 ' ' PHE . 52.7 p 33.53 83.44 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.117 0.567 . . . . 0.0 111.867 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.155 -179.867 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 14.7 tpt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -126.21 144.44 50.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 pt -130.42 164.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.746 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -123.02 102.33 7.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 111.193 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.05 125.72 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.634 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -123.64 135.74 54.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 111.625 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.8 p -96.59 159.09 15.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.583 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.572 HD21 HG22 ' B' ' 70' ' ' VAL . 3.8 mm? -65.82 -21.31 66.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.755 0.312 . . . . 0.0 111.2 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -72.39 -3.55 24.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.081 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.54 58.98 2.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.411 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -139.37 124.62 19.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -96.41 140.9 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 21.8 mt -136.93 139.89 43.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.255 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.2 m -110.32 129.88 55.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -131.04 147.11 52.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 111.343 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -109.63 96.2 6.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.054 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.459 ' O ' ' HB3' ' B' ' 1' ' ' MET . 33.6 m -108.11 -162.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.375 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 42.6 mt-10 -124.36 154.29 40.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p -69.01 -21.28 64.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 85.5 p -104.22 2.58 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.448 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 17.8 t70 -67.73 153.93 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 26' ' ' VAL . 67.8 p -84.23 177.59 8.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.284 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -80.27 -54.08 11.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -55.22 -37.93 67.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.321 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -56.75 -40.86 76.55 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.111 0.481 . . . . 0.0 110.204 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 22' ' ' THR . 61.4 t -62.85 -36.2 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.413 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.533 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 33.7 mmtp -59.86 -42.46 93.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.23 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -64.64 -45.99 84.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.367 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -55.44 -39.92 70.89 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.644 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.2 mt -69.68 -37.62 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.793 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -57.67 -50.49 73.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.17 -23.22 63.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -64.19 0.93 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -102.77 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.44 0.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.695 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.424 HG22 ' HB3' ' B' ' 41' ' ' GLN . 35.2 mm -58.51 130.86 85.05 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.0 Cg_endo -58.76 139.22 89.85 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.406 2.071 . . . . 0.0 112.487 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.516 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 5.0 Cg_exo -77.72 -32.37 2.78 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.875 2.384 . . . . 0.0 112.438 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -76.42 8.23 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.588 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -134.33 -47.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.154 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.4 pt20 -57.82 145.43 35.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.997 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.436 ' NH1' HE22 ' B' ' 49' ' ' GLN . 97.1 mtt180 -142.46 142.74 32.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.601 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.533 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 80.5 mt -97.94 129.46 44.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.409 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.609 HD11 HD11 ' A' 1378 ' ' LEU . 66.0 mt -121.01 137.44 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -140.44 129.7 23.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.03 15.12 4.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.263 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.63 -21.41 45.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.714 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -90.33 132.07 35.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 111.083 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.436 HE22 ' NH1' ' B' ' 42' ' ' ARG . 29.3 tt0 -78.44 131.88 37.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.18 130.84 35.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -89.37 143.51 26.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.17 148.0 49.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.62 -28.86 13.52 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.594 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -87.71 -179.54 6.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 60.5 p -112.07 -174.52 2.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.9 mt -81.66 -15.29 55.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.143 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.1 p -81.32 -28.78 34.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.542 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -70.45 -4.54 23.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.533 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -131.11 2.03 4.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.971 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 m120 56.4 89.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.942 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.9 mt -123.41 115.42 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -73.94 179.12 4.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.426 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -77.59 152.2 34.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 55.65 24.13 6.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.01 0.433 . . . . 0.0 110.654 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.9 p -59.8 160.51 7.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.092 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 40.8 m -107.64 104.37 13.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.421 ' HB3' HD22 ' B' ' 43' ' ' LEU . 4.6 mm? -98.0 147.07 24.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -108.12 137.74 45.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' B' ' 41' ' ' GLN . 14.3 tp -107.92 114.24 28.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.389 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.572 HG22 HD21 ' B' ' 8' ' ' LEU . 38.3 t -122.86 148.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 111.353 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.637 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 36.2 mtmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.846 0.355 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.3 t -83.63 -42.46 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.72 -27.65 69.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -69.57 -50.7 42.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 45.9 t -62.64 -35.83 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.36 -46.37 73.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.768 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -30.82 71.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.485 HD12 HD11 ' A' 1363 ' ' LEU . 79.4 mt -80.49 -23.98 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.004 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 43.8 t -69.08 -25.24 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -86.52 -4.04 83.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.242 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 84.0 mmm -74.61 -67.59 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 179.52 16.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.695 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1354 ' ' PHE . . . . . 0.403 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -139.09 168.35 20.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.6 p -75.04 174.08 9.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.499 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -73.22 -24.82 60.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.76 -53.89 19.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -58.26 -36.64 73.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.62 68.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.783 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -61.41 -49.14 78.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -66.19 -42.13 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.772 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.57 75.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.449 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.51 ' HA ' ' HB2' ' A' 1373 ' ' ALA . 6.5 mt -63.37 -59.43 4.7 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.916 0.388 . . . . 0.0 110.949 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -45.34 -63.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.804 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 51.5 tptt -51.27 -53.03 39.45 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.853 0.721 . . . . 0.0 111.773 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' A' 1367 ' ' ASN . 4.9 p -61.32 -8.56 3.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.516 0.198 . . . . 0.0 110.505 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' 1366 ' ' CYS . 7.4 t30 95.03 52.83 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.275 0.984 . . . . 0.0 109.358 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.493 ' N ' ' O ' ' A' 1363 ' ' LEU . 80.1 m95 37.07 72.21 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.965 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.462 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 40.5 m-20 -138.78 124.55 19.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.81 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1370 ' ' LEU . . . . . 0.552 ' HG ' HD21 ' B' ' 8' ' ' LEU . 20.7 tp -53.62 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -40.61 18.13 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.576 ' HA ' ' OD1' ' A' 1375 ' ' ASN . . . -59.95 -47.76 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 0.0 111.093 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1373 ' ' ALA . . . . . 0.51 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -63.68 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.615 HG21 HG21 ' B' ' 70' ' ' VAL . 10.6 m -57.68 -54.36 47.79 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.016 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.635 ' HA ' HD12 ' A' 1378 ' ' LEU . 0.7 OUTLIER -64.29 -24.37 67.63 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.088 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' 1373 ' ' ALA . 30.3 t80 -64.23 -38.86 92.55 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1377 ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' 1377 ' ' LEU . 4.2 mm? -74.3 -25.72 59.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.69 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' 1375 ' ' ASN . 36.0 mt -76.61 -60.08 2.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -92.94 -64.98 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.447 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' 1376 ' ' PHE . 28.3 m -55.48 170.11 0.26 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.305 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.165 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.523 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 3.9 ppp? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -109.87 164.81 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.039 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -139.74 155.92 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -114.23 112.7 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.055 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.644 HG12 ' HB2' ' B' ' 69' ' ' LEU . 1.8 t -86.07 109.04 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.646 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -94.18 97.06 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.373 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.541 HG22 HD23 ' B' ' 69' ' ' LEU . 70.5 p -65.07 147.28 53.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.168 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.552 HD21 ' HG ' ' A' 1370 ' ' LEU . 12.2 tp -72.46 5.88 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.954 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 39.2 p -98.96 -24.42 14.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.99 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.7 41.97 0.83 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.694 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -138.49 126.94 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.681 0.277 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.6 m -96.76 138.41 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.467 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.9 mm -120.36 114.46 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.537 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.8 m -87.75 113.61 23.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.276 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 tp -127.09 144.07 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 111.623 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -107.17 120.22 41.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.304 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.42 179.11 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 111.678 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -99.28 175.14 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.75 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.7 p -75.92 -27.17 57.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.8 t -101.13 17.02 23.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.044 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.38 139.26 55.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 74.7 p -87.41 144.66 26.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.508 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.6 mm -56.72 -36.24 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.297 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.452 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 18.5 t70 -63.27 -34.84 78.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.968 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.469 ' ND2' ' HE2' ' B' ' 29' ' ' LYS . 54.1 t30 -72.46 -31.06 65.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.766 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.02 -52.73 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' B' ' 42' ' ' ARG . 2.0 mptm? -56.63 -40.45 75.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -59.17 -46.01 89.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.469 ' HE2' ' ND2' ' B' ' 25' ' ' ASN . 68.2 mttm -60.84 -44.21 97.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.25 -36.79 70.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.415 ' HB2' ' HG3' ' B' ' 38' ' ' PRO . 41.8 tp60 -71.61 -32.47 68.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.842 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -83.35 -4.31 58.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.71 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -104.36 -66.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.39 -75.41 0.49 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.35 26.79 0.05 OUTLIER Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.237 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.463 HD12 ' N ' ' B' ' 36' ' ' ILE . 4.2 mp -82.49 127.98 68.62 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.97 0.385 . . . . 0.0 110.328 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.21 117.72 4.41 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.576 2.184 . . . . 0.0 112.577 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.55 ' HA ' HE21 ' B' ' 41' ' ' GLN . 21.9 Cg_exo -65.27 -28.67 55.4 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.569 2.179 . . . . 0.0 112.44 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.5 -14.72 63.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.259 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.401 ' HB3' ' HB3' ' B' ' 71' ' ' LEU . 12.8 mm100 -111.54 -59.13 2.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.337 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.55 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.4 pt20 -50.9 142.42 11.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.076 0.465 . . . . 0.0 112.161 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.41 ' HA ' ' NZ ' ' B' ' 27' ' ' LYS . 80.3 mtp180 -142.38 135.87 29.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.361 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.403 HD23 ' HE2' ' B' ' 27' ' ' LYS . 1.9 mm? -78.82 144.01 35.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.209 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.537 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 87.7 mt -137.17 125.88 34.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.378 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.447 ' HB3' HD21 ' B' ' 50' ' ' LEU . 80.0 t80 -134.83 137.92 43.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.01 19.84 7.63 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.293 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.11 -17.8 44.62 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.31 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -93.02 138.97 31.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.665 0.269 . . . . 0.0 110.776 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' B' ' 42' ' ' ARG . 21.0 tm0? -69.14 147.9 50.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.917 0.389 . . . . 0.0 111.292 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' B' ' 45' ' ' PHE . 3.6 mm? -101.19 101.41 12.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.922 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.26 151.56 44.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.923 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.508 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 6.0 m-20 -76.46 166.15 23.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.74 -52.45 2.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.548 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -75.57 170.59 15.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.012 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.9 p -103.61 -178.4 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 26.8 mt -71.16 -11.96 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -81.01 -30.68 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.04 -6.12 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.252 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -131.72 -1.43 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.967 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 51.1 t30 57.58 93.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.019 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.2 mt -125.52 126.27 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.801 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -74.01 -174.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.334 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.523 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 63.1 mmtt -88.18 142.72 27.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.0 20.93 5.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.261 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.0 m -59.74 149.72 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -100.05 97.92 8.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.443 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.2 mp -90.1 -173.01 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.467 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.537 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 59.4 m-70 -131.83 165.07 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.644 ' HB2' HG12 ' B' ' 5' ' ' VAL . 16.1 tp -135.97 126.1 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.203 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' 1374 ' ' THR . 59.8 t -137.28 133.15 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.515 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' B' ' 40' ' ' GLN . 8.2 mp . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.074 0.464 . . . . 0.0 111.237 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.5 mtmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.1 t -84.06 -42.79 15.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.83 -36.13 76.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.318 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -61.59 -51.7 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.624 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 54.5 t -60.61 -38.05 77.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.64 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.18 -35.2 80.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.193 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1348 ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' 1352 ' ' MET . 11.8 mm-40 -64.93 -55.29 20.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.108 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' 1359 ' ' ALA . 3.4 mp -53.35 -47.24 69.56 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.354 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.3 t -54.96 -28.32 50.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -96.79 34.77 4.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.673 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1352 ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' 1348 ' ' GLU . 73.0 mtp -128.67 -65.66 0.87 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.636 0.255 . . . . 0.0 110.918 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -171.0 14.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.963 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.05 178.64 7.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.796 0.332 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 75.5 p -92.69 176.25 6.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.507 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.42 -32.86 64.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.302 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.61 -62.45 1.73 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.71 0.29 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -53.42 -29.66 36.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.229 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1359 ' ' ALA . . . . . 0.472 ' HA ' HD22 ' A' 1349 ' ' LEU . . . -71.36 -40.04 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.567 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -62.54 -52.48 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -61.79 -42.15 98.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.61 76.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.456 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' 1368 ' ' TRP . 12.3 mt -60.36 -58.89 6.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.92 0.391 . . . . 0.0 111.074 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.5 -64.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.347 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1365 ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' 1367 ' ' ASN . 45.1 mmtm -49.61 -56.29 10.56 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 124.024 0.828 . . . . 0.0 112.035 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' 1367 ' ' ASN . 4.5 p -58.07 -8.94 1.18 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.626 0.251 . . . . 0.0 110.363 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' 1366 ' ' CYS . 70.0 m-20 91.64 55.54 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 124.301 1.001 . . . . 0.0 109.115 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.475 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.1 m95 36.68 82.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.667 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.653 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 27.5 t70 -152.22 127.79 10.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.093 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1370 ' ' LEU . . . . . 0.544 HD12 ' HG ' ' B' ' 8' ' ' LEU . 3.0 tm? -57.31 -73.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -49.2 -38.37 25.81 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.653 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -66.45 -35.12 79.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -71.91 -52.89 15.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.543 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.522 ' O ' ' HG ' ' A' 1378 ' ' LEU . 94.5 m -52.49 -39.0 60.74 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.519 ' HA ' HD12 ' A' 1378 ' ' LEU . 5.1 t30 -76.02 -27.61 57.43 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.099 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 37.0 t80 -61.22 -36.26 79.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.772 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.89 -20.79 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.742 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' 1374 ' ' THR . 48.7 mt -79.13 -63.77 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -91.06 -62.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.374 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 44.3 m -58.47 170.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.123 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.061 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -123.23 143.02 50.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.525 ' HB ' HD23 ' B' ' 67' ' ' LEU . 2.7 pp -121.94 155.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.537 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 91.4 m-85 -119.99 120.56 36.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 111.443 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' B' ' 69' ' ' LEU . 2.4 t -82.64 145.53 8.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -127.13 100.99 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.662 0.268 . . . . 0.0 111.705 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.55 HG22 HD23 ' B' ' 69' ' ' LEU . 69.7 p -84.8 148.78 26.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.062 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.544 ' HG ' HD12 ' A' 1370 ' ' LEU . 2.3 mm? -65.56 -15.66 62.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.71 0.29 . . . . 0.0 111.036 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 50.6 p -73.4 -10.21 59.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.807 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.08 45.82 3.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.399 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.413 ' HE3' ' OE1' ' B' ' 34' ' ' GLU . 40.2 tttm -129.76 144.09 51.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 111.305 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.0 m -120.97 110.15 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.514 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 12.1 mt -92.63 149.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.3 m -118.67 112.75 20.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.438 HD21 ' HD2' ' B' ' 29' ' ' LYS . 57.5 tp -126.4 138.6 53.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.095 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -102.82 117.88 35.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.588 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -122.55 177.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.334 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -107.76 168.88 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.765 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.7 p -73.0 -13.44 61.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.792 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -108.25 2.96 23.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.73 155.59 29.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 78.9 p -110.55 148.93 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.222 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -57.36 -42.9 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 17.9 t70 -56.16 -32.68 64.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.044 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.499 ' ND2' ' HE3' ' B' ' 29' ' ' LYS . 54.9 t30 -76.3 -37.12 57.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.27 -54.71 24.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.494 ' HE2' HD13 ' B' ' 43' ' ' LEU . 2.1 mptm? -52.53 -43.42 65.14 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 61.7 m -57.9 -44.92 87.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.499 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 99.2 mttt -61.19 -37.88 84.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.93 -35.06 74.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.802 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -71.48 -36.55 71.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.709 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -81.44 -9.9 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.76 -63.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.413 ' OE1' ' HE3' ' B' ' 11' ' ' LYS . 66.0 mm-40 -94.79 -73.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.57 -7.43 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.937 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.476 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 12.4 mm -60.41 130.37 89.78 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.725 0.262 . . . . 0.0 110.518 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.501 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 72.2 Cg_endo -77.59 131.39 11.4 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.422 2.081 . . . . 0.0 113.013 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.53 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 28.0 Cg_exo -63.58 -25.63 69.64 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.015 2.477 . . . . 0.0 112.823 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.88 -5.06 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.623 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -130.98 -47.86 1.02 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.602 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.53 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 9.3 pt20 -63.65 149.33 46.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.947 0.403 . . . . 0.0 111.431 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -146.18 140.41 26.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.687 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.494 HD13 ' HE2' ' B' ' 27' ' ' LYS . 3.8 mp -92.23 117.19 29.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.788 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.545 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 4.5 mp -106.75 141.55 21.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.445 ' HB3' HD11 ' B' ' 50' ' ' LEU . 43.8 t80 -146.95 128.32 14.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.355 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.94 11.43 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.436 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.93 14.58 48.76 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.262 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -127.59 134.06 49.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.458 ' HB2' HD22 ' A' 1378 ' ' LEU . 0.1 OUTLIER -73.22 120.63 19.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.516 HD21 HD11 ' B' ' 61' ' ' ILE . 9.3 mp -75.42 108.34 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.97 156.15 21.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 4.0 p-10 -82.85 149.8 26.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.18 -14.82 58.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.528 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -87.11 170.8 11.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.5 m -99.81 153.77 18.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.26 -36.58 78.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.263 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -67.58 -23.21 65.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.414 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.63 -20.96 66.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.131 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -114.47 4.03 15.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 56.75 93.02 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.516 HD11 HD21 ' B' ' 50' ' ' LEU . 57.0 mt -127.39 136.3 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -91.52 -172.3 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -84.81 147.37 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.29 22.95 12.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -58.51 160.82 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.3 m -110.86 99.17 8.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.365 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.525 HD23 ' HB ' ' B' ' 3' ' ' ILE . 3.7 mm? -86.42 148.3 25.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.663 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.545 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 75.6 m-70 -108.3 128.14 54.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.55 HD23 HG22 ' B' ' 7' ' ' THR . 13.9 tp -97.87 114.45 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.401 HG21 ' CG2' ' A' 1374 ' ' THR . 42.6 t -127.48 141.21 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.199 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.879 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.7 mtmm . . . . . 0 C--O 1.232 0.156 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 43.6 t -60.53 -35.96 77.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.335 . . . . 0.0 110.738 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.27 -37.0 76.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1345 ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' 1349 ' ' LEU . . . -60.95 -47.77 84.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.948 0.404 . . . . 0.0 110.425 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 41.2 t -67.99 -31.85 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.96 -38.24 76.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.34 -40.92 64.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.681 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' 1345 ' ' ALA . 81.6 mt -67.11 -40.22 86.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 45.2 t -64.17 -15.18 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.284 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.93 15.93 54.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.617 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.1 mtp -102.52 -56.33 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.712 0.291 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -176.25 7.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.675 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.17 177.08 8.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.076 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 80.4 p -87.92 177.01 7.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.358 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.3 -27.07 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.68 -60.76 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -53.31 -35.39 60.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.717 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -71.58 -34.53 70.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.791 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -63.44 -50.09 71.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.653 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -65.62 -45.65 82.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.71 71.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.367 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' 1368 ' ' TRP . 13.7 mt -64.12 -59.6 4.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.439 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -46.36 -64.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 24.4 tptm -50.21 -54.94 17.51 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 124.09 0.869 . . . . 0.0 111.983 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' 1367 ' ' ASN . 3.7 p -57.85 -11.86 2.65 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' 1366 ' ' CYS . 44.9 t-20 96.25 54.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.369 1.043 . . . . 0.0 109.585 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' 1363 ' ' LEU . 71.7 m95 39.51 59.34 1.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.886 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.524 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 32.4 m-20 -128.54 128.55 44.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.949 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.22 -69.89 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1371 ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.1 OUTLIER -52.01 -41.94 62.61 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.046 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -64.71 -34.14 77.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.769 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1373 ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -64.25 -53.49 48.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.726 ' HB ' HG21 ' B' ' 70' ' ' VAL . 90.6 m -55.33 -51.31 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.577 ' HA ' HD12 ' A' 1378 ' ' LEU . 4.9 t30 -57.84 -28.48 64.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.431 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.489 ' HA ' ' HB2' ' A' 1380 ' ' SER . 51.4 t80 -70.39 -37.73 74.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.998 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 80.0 mt -76.37 -25.85 55.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.845 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' 1375 ' ' ASN . 45.2 mt -76.54 -61.36 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -92.05 -65.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.372 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.489 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 5.2 m -53.63 167.19 0.25 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.111 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.615 ' HB3' ' HE3' ' B' ' 63' ' ' LYS . 5.6 ppp? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.716 0.293 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 13.3 pt20 -130.88 161.11 32.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.415 . . . . 0.0 111.278 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -137.72 163.17 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.736 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -127.99 110.3 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.238 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 73.5 t -82.46 132.26 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.649 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -103.55 101.05 10.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.781 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.802 HG22 HD13 ' B' ' 69' ' ' LEU . 54.6 p -79.97 139.77 36.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.421 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.733 HD11 HG23 ' B' ' 70' ' ' VAL . 96.0 mt -63.67 -12.03 30.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.299 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -79.38 -23.76 43.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.79 46.73 0.88 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -138.99 149.39 44.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 111.072 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.7 m -119.41 115.43 24.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.613 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.489 HG22 ' HG ' ' B' ' 15' ' ' LEU . 63.3 mt -95.66 122.97 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.601 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -95.83 115.27 27.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.485 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.489 ' HG ' HG22 ' B' ' 13' ' ' ILE . 61.6 mt -128.9 127.37 41.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.498 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 40.7 tt0 -99.69 113.58 26.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.32 -168.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.455 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.74 159.29 19.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 55.8 m -72.72 -22.36 60.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.3 m -91.78 3.23 55.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.05 150.28 30.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -87.58 170.05 11.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.369 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.711 HD12 HD23 ' B' ' 50' ' ' LEU . 38.9 mm -72.35 -46.89 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.356 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -51.3 -37.16 45.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.056 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -64.67 -41.93 95.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.44 -53.22 49.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.079 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.537 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -53.2 -42.14 66.0 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.105 0.479 . . . . 0.0 110.257 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -61.64 -42.33 98.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.743 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -59.91 -41.61 92.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.536 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.432 HG12 HD11 ' B' ' 15' ' ' LEU . 72.9 mt -60.99 -45.83 97.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -63.64 -31.23 72.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.859 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.05 -9.81 52.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.165 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -93.91 -68.06 0.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 0.0 110.725 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -94.41 -63.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.133 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.11 8.63 0.24 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.796 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.648 HG21 HD11 ' B' ' 69' ' ' LEU . 2.7 mp -74.05 107.36 3.47 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.687 0.244 . . . . 0.0 110.476 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.3 Cg_endo -55.09 132.88 54.95 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.688 2.258 . . . . 0.0 112.615 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.458 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 22.2 Cg_exo -65.32 -46.16 6.16 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.785 2.324 . . . . 0.0 112.807 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -64.25 -3.93 3.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.399 . . . . 0.0 111.212 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -109.08 -42.44 4.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.511 ' HG3' ' HZ1' ' B' ' 27' ' ' LYS . 28.5 pt20 -87.94 168.37 12.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.656 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.456 HH21 ' HE3' ' B' ' 27' ' ' LYS . 3.3 tpm_? -145.35 126.66 14.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.945 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.537 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 1.1 mm? -88.6 132.61 34.47 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.587 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 4.3 mp -130.78 144.2 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.075 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.586 ' HB2' HD22 ' B' ' 67' ' ' LEU . 30.8 t80 -144.25 129.51 18.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.7 18.56 6.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.93 -25.53 27.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.349 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.42 ' HB2' ' NZ ' ' B' ' 48' ' ' LYS . 4.5 ttmp? -96.66 120.35 36.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 110.819 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.587 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 4.5 pm0 -60.32 165.65 3.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.711 HD23 HD12 ' B' ' 23' ' ' ILE . 7.4 mp -103.73 104.35 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.724 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -76.03 136.73 39.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.913 0.387 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.21 109.89 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.998 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.33 -33.55 0.46 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.403 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -105.9 179.35 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.308 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.0 p -98.93 -175.15 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' B' ' 61' ' ' ILE . 57.9 mt -75.64 -12.71 60.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.7 p -81.21 -21.82 39.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.306 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.12 -12.99 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.171 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.512 ' HB2' HG13 ' B' ' 61' ' ' ILE . 78.1 m-85 -114.35 15.0 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.175 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 59.88 15.59 5.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.579 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.512 HG13 ' HB2' ' B' ' 59' ' ' TYR . 76.8 mt -59.57 136.96 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.764 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.24 -170.09 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.615 ' HE3' ' HB3' ' B' ' 1' ' ' MET . 13.2 mptt -67.15 146.94 53.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.985 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 57.61 20.76 6.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -57.6 138.12 55.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 85.8 m -99.13 106.9 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.203 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' B' ' 45' ' ' PHE . 20.5 mt -102.41 170.62 7.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -129.41 154.03 47.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.361 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.802 HD13 HG22 ' B' ' 7' ' ' THR . 5.7 tt -119.61 113.38 20.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.362 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.733 HG23 HD11 ' B' ' 8' ' ' LEU . 1.7 p -131.24 173.02 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.621 ' H ' HG22 ' B' ' 70' ' ' VAL . 9.0 tp . . . . . 0 N--CA 1.467 0.42 0 O-C-N 124.203 0.94 . . . . 0.0 110.916 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 30.1 mtpp . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.754 0.311 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 52.0 m -84.11 -25.72 29.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.567 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 25.1 tp -63.95 -32.65 74.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.064 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1345 ' ' ALA . . . . . 0.465 ' HB1' HD21 ' A' 1363 ' ' LEU . . . -72.33 -47.21 51.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.467 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 47.3 t -62.35 -33.28 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.899 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -72.27 -45.81 58.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.584 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -34.76 75.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.149 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.415 HD23 ' SD ' ' A' 1352 ' ' MET . 69.3 mt -75.17 -34.8 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.658 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 42.0 t -63.92 -14.88 57.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.105 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -105.67 25.49 24.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.403 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1352 ' ' MET . . . . . 0.415 ' SD ' HD23 ' A' 1349 ' ' LEU . 88.3 mtp -114.67 -50.87 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.975 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 169.83 13.94 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.629 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.29 169.65 17.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.12 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 81.0 p -87.54 175.68 7.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.429 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -73.84 -23.98 59.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.365 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.57 -64.14 0.98 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.942 0.401 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.78 -37.71 66.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.449 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1359 ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' 1363 ' ' LEU . . . -68.55 -31.92 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -67.92 -54.04 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -60.06 -49.9 75.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.03 72.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' 1373 ' ' ALA . 0.0 OUTLIER -55.77 -61.28 2.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.322 0.582 . . . . 0.0 111.28 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -47.26 -65.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.227 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 60.0 tttm -52.2 -53.2 46.29 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 124.133 0.896 . . . . 0.0 112.005 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.486 ' HB2' ' HB1' ' A' 1372 ' ' ALA . 1.6 p -55.01 -15.21 1.89 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' 1366 ' ' CYS . 64.2 t30 95.76 52.45 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.409 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.474 ' HA ' HD12 ' A' 1363 ' ' LEU . 76.4 m95 37.57 66.96 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.781 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.525 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 23.9 m-20 -134.61 136.02 42.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.455 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1370 ' ' LEU . . . . . 0.488 HD12 HD13 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -57.49 -75.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.137 -178.934 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -50.7 -40.7 54.74 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -62.63 -37.81 87.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.696 0.284 . . . . 0.0 111.38 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1373 ' ' ALA . . . . . 0.635 ' HB2' HD13 ' A' 1363 ' ' LEU . . . -62.91 -54.17 42.77 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.035 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.76 HG21 HG21 ' B' ' 70' ' ' VAL . 78.5 m -57.86 -50.05 74.62 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 3.8 t30 -56.36 -28.8 60.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.139 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.426 ' HA ' ' HB2' ' A' 1380 ' ' SER . 39.9 t80 -70.95 -38.79 72.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.924 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.58 -19.84 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.97 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.619 HD22 ' HB2' ' B' ' 49' ' ' GLN . 69.5 mt -86.82 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.6 t70 -83.8 -63.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.022 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.426 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 28.7 m -61.28 177.45 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.131 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.976 0.417 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -148.11 147.42 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.5 pt -124.02 157.24 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -117.95 120.56 38.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' B' ' 12' ' ' THR . 2.7 t -86.94 118.58 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -101.16 97.15 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.246 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.464 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 28.9 p -73.26 143.95 46.85 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.617 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.488 HD13 HD12 ' A' 1370 ' ' LEU . 92.4 mt -61.66 -16.44 48.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.273 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 70.3 p -79.49 -23.94 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.291 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.42 54.53 0.65 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.356 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -144.88 125.81 14.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.315 . . . . 0.0 110.483 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 33.4 m -98.68 134.67 41.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.0 mt -114.87 116.92 54.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.9 m -89.18 112.71 23.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.02 136.99 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -102.97 114.89 29.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -125.82 -175.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.344 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -122.38 173.86 7.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.657 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -74.29 -12.5 60.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.5 m -98.41 -10.66 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.46 142.56 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.619 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 82.7 p -98.54 170.22 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.984 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.656 HD12 HD23 ' B' ' 50' ' ' LEU . 37.4 mm -65.68 -40.13 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -57.91 -37.87 74.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -64.19 -34.95 79.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.543 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.45 -55.31 25.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.565 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 1.6 mmtp -55.61 -46.11 77.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.907 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.3 m -58.87 -40.67 85.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.22 -43.46 94.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.22 -37.01 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -72.73 -31.0 64.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -88.1 -12.01 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.221 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -105.75 -66.58 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -80.82 -71.21 0.48 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.012 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.29 -3.26 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.766 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.495 HD12 ' N ' ' B' ' 36' ' ' ILE . 3.1 mp -68.96 114.71 24.99 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 9.5 Cg_endo -51.38 151.07 14.04 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.712 2.275 . . . . 0.0 112.44 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.543 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 71.9 Cg_endo -77.4 -45.18 0.16 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.742 2.295 . . . . 0.0 113.162 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.77 8.15 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 111.122 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.533 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 24.6 mm-40 -124.61 -13.99 6.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.675 ' HB2' HD21 ' B' ' 69' ' ' LEU . 28.4 pt20 -114.51 142.88 45.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.78 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.501 ' HG3' HD22 ' B' ' 71' ' ' LEU . 98.1 mtt180 -134.56 127.4 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.409 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.565 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.7 mm? -89.95 121.16 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.482 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.501 HD13 HG23 ' B' ' 70' ' ' VAL . 3.1 mp -116.69 140.54 38.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.428 ' HB3' HD11 ' B' ' 50' ' ' LEU . 87.3 t80 -142.8 133.15 24.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.67 15.21 7.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.481 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.26 8.44 66.44 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.888 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -116.7 139.55 50.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.629 0.252 . . . . 0.0 110.699 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.619 ' HB2' HD22 ' A' 1378 ' ' LEU . 15.7 tm0? -77.31 128.56 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.71 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.656 HD23 HD12 ' B' ' 23' ' ' ILE . 8.4 mp -87.35 113.32 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.833 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -81.25 165.67 21.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.054 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -92.91 138.14 31.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.71 -32.63 5.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.596 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.551 HH21 ' HB3' ' B' ' 58' ' ' ASP . 45.4 mtp180 -93.38 150.81 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -78.42 -175.43 4.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.264 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.537 HD22 HD12 ' B' ' 61' ' ' ILE . 35.1 mt -78.17 -25.77 47.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -66.5 -21.88 66.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.551 ' HB3' HH21 ' B' ' 54' ' ' ARG . 19.9 m-20 -76.53 -21.97 55.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.38 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -112.84 -3.47 14.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.069 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 m120 55.0 90.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.537 HD12 HD22 ' B' ' 56' ' ' LEU . 58.1 mt -117.4 136.95 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -89.07 -172.6 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -89.87 141.47 28.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 59.13 24.61 12.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -59.31 165.74 2.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 54.0 m -123.86 97.18 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.463 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.0 mp -85.81 -176.36 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.223 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -130.64 159.59 36.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.021 0.439 . . . . 0.0 111.472 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' B' ' 41' ' ' GLN . 0.4 OUTLIER -115.89 112.1 21.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.483 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.76 HG21 HG21 ' A' 1374 ' ' THR . 13.0 t -122.41 171.24 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.582 ' H ' HG12 ' B' ' 70' ' ' VAL . 12.4 tp . . . . . 0 N--CA 1.469 0.511 0 C-N-CA 123.751 0.82 . . . . 0.0 110.275 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 60.7 mttp . . . . . 0 C--O 1.231 0.129 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 59.9 m -63.55 -31.56 72.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.181 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.75 -34.07 77.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.21 93.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 60.9 t -66.99 -48.35 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.318 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.15 -37.62 87.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.55 -41.99 75.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.441 HD12 ' HB1' ' A' 1359 ' ' ALA . 29.6 mt -65.34 -14.71 61.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.221 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 54.6 m -67.53 -27.19 66.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.604 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -79.34 -14.2 81.81 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.469 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 57.8 mmm -68.07 -66.34 0.58 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.795 0.331 . . . . 0.0 110.745 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 170.87 13.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.845 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.91 166.91 20.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.904 0.383 . . . . 0.0 111.358 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 76.7 p -76.63 -179.12 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.673 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -72.97 -37.77 66.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.359 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.05 -61.12 2.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.146 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1358 ' ' GLU . . . . . 0.443 ' HB3' HD11 ' A' 1377 ' ' LEU . 42.8 mt-10 -48.9 -39.81 27.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1359 ' ' ALA . . . . . 0.441 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -69.96 -37.6 75.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -61.81 -55.63 27.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -60.99 -41.49 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.714 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.36 -55.21 37.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.406 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' 1369 ' ' ASP . 11.2 mt -57.45 -59.35 5.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.973 0.416 . . . . 0.0 111.199 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.38 -64.35 0.74 Allowed 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.951 -177.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -48.39 -57.43 6.06 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.939 0.774 . . . . 0.0 111.616 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.566 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 73.8 m -57.25 -11.6 1.84 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.769 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' 1366 ' ' CYS . 7.6 t30 95.91 51.86 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.287 0.992 . . . . 0.0 109.118 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.482 ' N ' ' O ' ' A' 1363 ' ' LEU . 74.0 m95 42.89 82.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.836 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.52 ' O ' HD23 ' A' 1363 ' ' LEU . 24.7 m-20 -152.62 129.69 11.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.292 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1370 ' ' LEU . . . . . 0.536 HD13 HD12 ' B' ' 8' ' ' LEU . 11.1 mt -56.24 -78.35 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1371 ' ' GLU . . . . . 0.411 ' OE2' ' HB2' ' B' ' 71' ' ' LEU . 12.6 pt-20 -47.94 -34.97 9.89 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.51 0.195 . . . . 0.0 111.39 -178.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' 1366 ' ' CYS . . . -62.63 -44.77 95.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.969 0.414 . . . . 0.0 109.996 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1373 ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -64.48 -46.39 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.923 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.709 HG22 HD21 ' A' 1378 ' ' LEU . 54.7 m -53.93 -55.43 27.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.525 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.45 -26.73 65.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.947 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.551 ' HA ' ' HB2' ' A' 1380 ' ' SER . 51.0 t80 -71.72 -28.08 63.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.12 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1377 ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' 1358 ' ' GLU . 3.8 mm? -76.4 -55.99 5.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.202 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.709 HD21 HG22 ' A' 1374 ' ' THR . 0.0 OUTLIER -67.15 -45.33 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.252 -179.095 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -89.39 -67.73 0.82 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.551 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 11.7 m -68.49 -178.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.29 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.115 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -129.48 171.1 12.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.85 150.85 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 89.9 m-85 -114.51 109.67 18.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.283 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 2.8 t -84.33 141.74 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.716 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -118.58 104.92 11.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.806 0.336 . . . . 0.0 111.491 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.404 HG22 HD23 ' B' ' 69' ' ' LEU . 76.7 p -86.44 142.15 28.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.383 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.536 HD12 HD13 ' A' 1370 ' ' LEU . 3.3 mm? -66.95 -17.28 64.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.323 . . . . 0.0 110.724 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.7 p -71.49 -19.49 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.35 48.4 1.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -141.09 145.57 35.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.4 m -116.4 118.03 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.787 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 44.7 mm -99.52 145.35 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.352 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.0 m -127.16 112.75 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.366 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -126.16 144.24 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 111.421 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.38 122.89 43.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.7 176.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.326 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -106.75 173.6 6.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.858 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -72.75 -17.01 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -106.09 10.11 32.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.01 144.07 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.767 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.3 p -91.89 151.14 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.332 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.443 HG22 ' HE3' ' B' ' 27' ' ' LYS . 49.4 mm -58.25 -48.6 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.341 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.436 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 19.8 t70 -56.69 -39.91 74.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.7 -42.87 84.62 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.972 0.415 . . . . 0.0 110.481 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.72 -39.28 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.201 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.454 ' HB3' ' NE2' ' B' ' 41' ' ' GLN . 32.3 mmtp -57.4 -46.25 83.66 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.112 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 63.4 m -58.5 -43.96 89.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.45 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -56.92 -43.14 81.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.22 -39.45 83.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.71 -28.74 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.448 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.05 -3.76 53.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.352 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -102.85 -67.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.057 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.67 -67.95 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.38 6.91 0.23 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.457 -0.878 . . . . 0.0 113.091 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.486 HG22 ' HB3' ' B' ' 41' ' ' GLN . 2.7 mp -63.48 131.5 94.85 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.916 0.358 . . . . 0.0 110.36 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.517 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 50.0 Cg_exo -53.09 147.4 34.42 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.242 1.962 . . . . 0.0 112.176 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.688 ' HA ' HE21 ' B' ' 41' ' ' GLN . 86.6 Cg_endo -83.21 -45.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.637 2.225 . . . . 0.0 113.15 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -74.5 0.73 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.671 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.517 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 13.7 mm100 -113.81 -48.19 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.994 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.688 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.9 pt20 -57.51 145.07 34.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.022 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.609 HH21 ' HG2' ' B' ' 49' ' ' GLN . 78.7 mtp180 -142.64 126.22 16.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.995 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' B' ' 50' ' ' LEU . 2.5 mp -82.6 138.17 34.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.313 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 70.7 mt -137.13 127.63 39.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.447 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -127.84 129.6 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.13 14.68 6.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.448 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.71 18.24 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.749 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -122.79 145.17 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.791 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.609 ' HG2' HH21 ' B' ' 42' ' ' ARG . 8.0 tp-100 -81.61 129.22 34.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' B' ' 43' ' ' LEU . 18.3 mt -89.36 103.21 15.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.655 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.79 140.93 58.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 16.0 m-20 -71.93 138.58 48.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.35 -36.33 4.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.358 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -83.81 173.34 11.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.742 0.306 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.5 p -99.42 -179.41 4.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.473 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' B' ' 61' ' ' ILE . 46.4 mt -76.95 -20.33 56.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.2 p -72.4 -21.56 61.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.285 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.38 -15.07 63.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.376 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.418 ' HB2' HG13 ' B' ' 61' ' ' ILE . 88.0 m-85 -123.97 19.24 9.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.448 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 m120 58.44 18.56 5.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.366 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' B' ' 56' ' ' LEU . 78.2 mt -55.52 118.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -92.53 -170.27 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -78.48 145.94 34.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.928 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 56.97 22.86 7.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.013 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.1 p -59.28 163.84 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.6 m -112.49 111.48 22.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.38 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.808 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.479 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.1 m-70 -128.31 152.21 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' B' ' 41' ' ' GLN . 15.0 tp -123.42 116.26 22.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.056 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' B' ' 42' ' ' ARG . 6.4 m -126.18 142.1 43.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 111.275 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.438 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.6 mm? . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.516 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.9 mtmm . . . . . 0 N--CA 1.462 0.151 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 70.1 m -75.72 -35.86 60.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.385 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.85 -34.03 77.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.341 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -66.28 -46.21 77.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.786 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 48.6 t -57.21 -40.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -65.93 -44.41 85.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.21 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.5 -28.55 69.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.493 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.507 ' HB3' ' HE1' ' A' 1354 ' ' PHE . 38.5 mt -88.12 -22.64 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.211 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 44.9 t -66.68 -25.95 66.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -88.55 -13.14 63.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 75.3 mmm -64.86 -62.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.641 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 170.23 23.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.675 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1354 ' ' PHE . . . . . 0.507 ' HE1' ' HB3' ' A' 1349 ' ' LEU . 0.2 OUTLIER -148.44 151.6 35.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 77.4 p -61.54 171.13 1.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.491 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.0 -17.25 64.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.085 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -58.45 3.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.87 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.39 -38.7 59.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.547 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1359 ' ' ALA . . . . . 0.432 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -69.34 -42.01 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.705 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -54.61 -49.9 69.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.05 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -66.33 -48.38 70.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -51.57 -57.65 8.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.236 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' 1368 ' ' TRP . 3.9 mt -59.16 -60.44 3.86 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.65 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -45.7 -65.57 0.52 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.756 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 27.8 tptp -51.26 -53.02 39.55 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.942 0.776 . . . . 0.0 111.841 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.698 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 98.9 m -62.28 -7.74 4.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' 1366 ' ' CYS . 67.8 m-20 94.11 54.57 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.256 0.973 . . . . 0.0 109.582 179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.527 ' N ' ' O ' ' A' 1363 ' ' LEU . 93.5 m95 36.68 85.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.546 -1.206 . . . . 0.0 112.206 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.538 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 18.3 t70 -156.76 136.64 12.55 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.225 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1370 ' ' LEU . . . . . 0.702 HD13 ' HB3' ' B' ' 8' ' ' LEU . 14.4 mt -58.99 -76.57 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1371 ' ' GLU . . . . . 0.488 ' HG3' HG13 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -41.92 -49.24 4.56 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' A' 1366 ' ' CYS . . . -59.82 -38.33 81.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.181 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1373 ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -68.75 -56.03 9.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.516 HG22 HD11 ' A' 1378 ' ' LEU . 4.4 m -55.37 -36.51 66.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.48 -31.38 72.09 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.685 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.69 ' HA ' ' HB2' ' A' 1380 ' ' SER . 73.4 t80 -63.61 -45.17 91.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.268 0.556 . . . . 0.0 109.872 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 28.9 mt -76.89 -20.5 56.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.299 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.516 HD11 HG22 ' A' 1374 ' ' THR . 48.2 mt -95.14 -65.41 0.98 Allowed 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -86.18 -59.22 2.35 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.69 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 5.4 t -36.82 -55.73 0.88 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.845 0.355 . . . . 0.0 111.438 -178.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.027 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.472 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 3.9 ppp? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.033 0.444 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -117.46 165.64 13.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.1 pt -138.52 138.81 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.591 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -102.45 100.39 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 111.126 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.525 HG22 HD11 ' B' ' 43' ' ' LEU . 50.3 t -86.29 110.96 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.781 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -101.13 134.9 43.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 111.137 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.526 HG22 ' HB3' ' B' ' 69' ' ' LEU . 66.1 p -102.81 142.04 34.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.209 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.702 ' HB3' HD13 ' A' 1370 ' ' LEU . 93.7 mt -70.12 2.36 3.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 111.03 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 77.5 p -90.71 -10.12 44.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.7 49.17 1.69 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.481 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -144.85 138.17 26.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 111.013 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -107.05 138.22 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 78.5 mt -127.79 141.23 46.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.371 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -126.9 121.16 30.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.397 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.576 HD11 ' HE3' ' B' ' 29' ' ' LYS . 26.0 tp -124.98 143.74 50.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.079 0.466 . . . . 0.0 111.733 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -103.01 108.92 20.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.756 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.1 m -130.6 161.69 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.45 . . . . 0.0 111.898 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -88.08 169.18 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -75.6 -1.86 26.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.4 m -111.37 -3.2 15.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.2 142.0 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.674 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 63.1 p -94.03 164.68 12.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.378 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.457 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.6 mm -63.32 -38.56 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 14.4 t70 -59.77 -33.97 72.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.664 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 10.2 m120 -67.85 -36.31 80.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.78 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -60.27 -53.93 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.154 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.55 ' HE2' HD23 ' B' ' 43' ' ' LEU . 1.9 mmtp -49.22 -47.82 45.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.558 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -63.49 -49.32 74.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.576 ' HE3' HD11 ' B' ' 15' ' ' LEU . 30.9 mtpp -56.91 -30.03 63.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.0 mt -78.02 -40.13 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -61.56 -36.48 80.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -83.62 -15.92 47.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -90.18 -68.36 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.8 -71.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.617 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.49 2.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.8 mm -62.48 127.27 89.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.455 0.128 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.567 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 37.1 Cg_exo -56.83 127.66 26.75 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.34 2.027 . . . . 0.0 112.19 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.525 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 37.0 Cg_endo -66.22 -40.47 15.12 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.539 2.159 . . . . 0.0 112.879 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.84 7.51 5.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.547 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 27.9 mm-40 -126.66 -20.68 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.525 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.1 pt20 -95.26 143.23 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.478 ' HB3' HE22 ' B' ' 49' ' ' GLN . 81.5 mtt180 -134.88 122.39 21.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.55 HD23 ' HE2' ' B' ' 27' ' ' LYS . 2.1 mm? -79.1 131.54 36.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.511 HD13 HD11 ' A' 1378 ' ' LEU . 23.3 mt -131.59 150.28 33.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.99 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.408 ' HB2' HD22 ' B' ' 67' ' ' LEU . 82.7 t80 -159.75 143.53 14.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.59 17.1 3.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.415 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.49 -20.12 39.94 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.381 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -93.7 141.56 28.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.478 HE22 ' HB3' ' B' ' 42' ' ' ARG . 54.5 tp60 -69.29 142.65 54.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.152 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.544 HD12 ' HB3' ' B' ' 43' ' ' LEU . 74.1 mt -100.53 95.3 6.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.467 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.05 158.4 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.039 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 5.1 p-10 -87.39 150.37 23.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.787 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.47 -50.43 0.81 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.342 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' B' ' 54' ' ' ARG . 4.1 mmp_? -71.1 160.9 32.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.75 0.309 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -83.33 -174.89 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.013 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.456 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 24.2 mt -85.18 -10.03 57.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.006 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -81.09 -25.83 36.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.57 -5.93 40.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -127.68 9.54 6.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.291 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 56.02 32.27 19.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.368 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.456 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 29.2 mm -59.51 110.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -78.64 175.93 9.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.013 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.472 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 28.2 mmtp -75.75 140.15 42.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.74 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 59.33 20.5 8.72 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.917 0.389 . . . . 0.0 110.707 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 95.9 p -59.0 134.27 56.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.041 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 45.8 m -85.06 97.04 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.736 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' B' ' 6' ' ' LYS . 47.6 mt -82.71 175.64 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -127.75 158.48 37.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.882 0.372 . . . . 0.0 111.088 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.526 ' HB3' HG22 ' B' ' 7' ' ' THR . 6.2 tt -132.57 113.06 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.43 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.488 HG13 ' HG3' ' A' 1371 ' ' GLU . 57.9 t -122.83 150.67 26.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 16.8 tp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.976 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1342 ' ' LYS . . . . . 0.405 ' HB2' ' NZ ' ' A' 1342 ' ' LYS . 10.3 mtmp? . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.741 0.305 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 26.6 t -84.2 -40.22 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.245 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 54.3 tp -55.26 -41.3 72.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.358 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -64.59 -50.69 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.804 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 61.0 t -58.47 -34.11 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -69.63 -45.01 69.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.805 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.24 -32.9 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.442 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.426 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 83.3 mt -76.42 -16.1 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.267 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 48.1 t -74.12 -21.46 59.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -91.56 0.5 74.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.235 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 92.0 mmm -80.83 -58.09 3.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.834 0.349 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 165.44 16.43 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.734 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1354 ' ' PHE . . . . . 0.426 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.2 OUTLIER -141.16 147.76 38.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 111.071 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 67.6 p -58.71 168.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.707 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -67.07 -26.62 66.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.713 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.55 -59.96 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.748 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -54.58 -41.2 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.067 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.27 -32.05 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.26 -52.73 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -62.14 -45.99 90.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.47 -50.93 64.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' 1368 ' ' TRP . 1.0 OUTLIER -60.21 -60.05 4.43 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.499 -179.462 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.44 -64.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.317 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -51.37 -53.57 35.05 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.807 0.692 . . . . 0.0 111.421 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.519 ' O ' ' HB2' ' A' 1367 ' ' ASN . 89.6 m -60.3 -8.5 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' 1366 ' ' CYS . 16.9 m120 94.85 52.82 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.306 1.004 . . . . 0.0 109.351 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' 1363 ' ' LEU . 79.4 m95 42.48 37.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.77 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.451 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 13.1 m-20 -98.09 136.99 37.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.364 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1370 ' ' LEU . . . . . 0.47 ' HG ' HD21 ' B' ' 8' ' ' LEU . 18.3 tp -71.83 -65.79 0.72 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1371 ' ' GLU . . . . . 0.422 ' OE1' ' HB3' ' A' 1369 ' ' ASP . 0.1 OUTLIER -52.67 -37.71 59.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.692 0.282 . . . . 0.0 111.12 -179.592 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -66.22 -36.07 82.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.027 0.441 . . . . 0.0 110.436 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1373 ' ' ALA . . . . . 0.495 ' HB2' ' HG ' ' A' 1363 ' ' LEU . . . -64.77 -50.91 64.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.268 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.543 HG21 HG21 ' B' ' 70' ' ' VAL . 25.8 m -57.31 -46.35 83.28 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.665 ' HA ' HD12 ' A' 1378 ' ' LEU . 4.4 t30 -61.51 -28.11 69.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.097 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' A' 1373 ' ' ALA . 36.0 t80 -66.06 -51.7 55.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.057 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.69 -21.71 65.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' 1375 ' ' ASN . 59.8 mt -80.16 -60.66 2.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.274 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.14 -66.46 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.511 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 51.6 m -48.51 111.17 0.42 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.332 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.037 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.0 0.429 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -100.2 149.21 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 pt -134.07 156.27 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -122.1 103.28 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.32 141.96 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.961 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' B' ' 6' ' ' LYS . 3.9 ttmp? -127.57 96.64 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.156 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.582 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.4 p -61.27 144.07 54.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.64 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.47 HD21 ' HG ' ' A' 1370 ' ' LEU . 12.7 tp -71.37 -0.66 10.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.223 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -89.95 -34.03 16.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.743 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.38 47.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.59 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -143.34 145.78 32.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 84.1 m -113.92 142.66 45.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.6 mt -134.23 144.83 34.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 58.7 m -113.59 123.87 50.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.9 tp -128.19 148.22 50.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.993 0.425 . . . . 0.0 111.378 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -109.55 99.05 8.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.013 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.74 -175.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.301 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -130.32 159.47 36.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.91 0.386 . . . . 0.0 110.981 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.4 m -68.65 -13.65 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.783 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -92.05 -17.91 24.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.737 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.87 136.87 43.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.928 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 81.9 p -77.37 -177.28 4.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.298 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.9 mm -75.28 -50.19 25.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.161 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.423 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 4.5 p30 -56.84 -38.71 73.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -56.49 -44.35 80.59 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.552 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.99 -37.47 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.58 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.557 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 32.0 mmtp -57.68 -42.3 83.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.6 t -65.47 -47.43 76.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.436 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -54.95 -35.77 64.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.609 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.7 mt -72.31 -39.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.309 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -58.98 -35.09 72.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.359 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -89.69 -13.46 36.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -84.9 -67.88 0.77 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.728 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.56 -61.63 1.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.0 4.04 1.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.165 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.08 120.91 79.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 110.789 -0.078 . . . . 0.0 110.789 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.3 Cg_exo -53.85 146.99 43.41 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.452 2.102 . . . . 0.0 112.717 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.525 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 21.5 Cg_exo -65.56 -45.11 7.32 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.613 2.208 . . . . 0.0 112.389 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.71 9.04 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.581 ' O ' ' HA ' ' B' ' 71' ' ' LEU . 33.4 tt0 -126.31 -18.41 4.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.677 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.588 ' HB2' HD21 ' B' ' 69' ' ' LEU . 12.1 pt20 -99.77 136.37 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.028 0.442 . . . . 0.0 111.811 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -130.5 131.11 44.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.245 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.557 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.7 mp -93.24 124.08 36.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.574 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.473 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 67.7 mt -125.1 139.51 50.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.8 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -142.13 131.13 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.78 14.27 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.349 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.61 30.07 14.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.243 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -131.34 133.11 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.539 ' HB2' HD22 ' A' 1378 ' ' LEU . 24.5 tp60 -77.51 113.97 15.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' B' ' 43' ' ' LEU . 76.2 mt -76.23 102.97 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.31 151.15 48.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.423 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 5.1 p-10 -78.53 149.81 33.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.35 -43.85 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -81.1 178.85 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.3 p -103.68 -174.29 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.2 mt -76.92 -33.8 57.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 81.1 p -69.4 -23.25 63.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.9 -18.91 65.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -123.59 4.81 8.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 59.01 92.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.233 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.6 mt -124.26 109.86 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.763 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -67.64 -174.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -84.37 148.04 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.42 19.88 6.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.263 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.6 m -59.4 150.3 26.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.786 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -101.16 104.45 15.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.21 172.62 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.667 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.473 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.0 m-70 -127.86 144.19 51.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 111.319 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' B' ' 41' ' ' GLN . 0.3 OUTLIER -112.35 109.21 18.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.266 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.543 HG21 HG21 ' A' 1374 ' ' THR . 38.5 t -120.73 154.05 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.581 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 1.3 tt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.787 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.731 0.301 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 48.0 t -80.09 -36.35 35.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.692 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.0 -34.41 74.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.176 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.77 68.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 0.0 110.405 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 39.9 t -68.06 -31.6 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.86 -41.92 61.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.244 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.17 -37.4 80.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.433 ' HB3' ' HE1' ' A' 1354 ' ' PHE . 75.4 mt -74.0 -37.02 64.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.834 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.3 t -56.26 -29.6 61.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.27 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -90.4 35.01 3.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.677 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 82.6 mtp -121.25 -58.78 1.77 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.74 0.305 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 178.19 16.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.733 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1354 ' ' PHE . . . . . 0.433 ' HE1' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -145.74 147.83 32.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 111.051 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 70.3 p -63.06 169.68 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.66 -22.61 66.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -71.19 -53.02 15.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.667 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.67 -38.0 77.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.47 83.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.969 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -58.82 -49.98 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -63.22 -45.99 89.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.18 -54.69 36.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.256 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' 1369 ' ' ASP . 6.0 mt -59.27 -59.63 5.15 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.53 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -45.48 -64.88 0.63 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.332 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 62.5 tttp -50.8 -54.32 24.56 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.911 0.757 . . . . 0.0 111.636 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.521 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 87.2 m -58.7 -10.26 2.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' 1366 ' ' CYS . 71.4 m-20 94.42 53.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.298 0.999 . . . . 0.0 109.308 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' 1363 ' ' LEU . 75.9 m95 39.18 82.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.726 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 16.4 t70 -153.87 134.25 13.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.189 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1370 ' ' LEU . . . . . 0.477 HD22 HD12 ' B' ' 8' ' ' LEU . 13.1 mt -62.35 -73.98 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.71 -34.92 12.91 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.536 0.208 . . . . 0.0 111.409 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -69.73 -39.91 76.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.892 0.377 . . . . 0.0 110.534 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -64.14 -49.96 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.67 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.642 HG21 HG21 ' B' ' 70' ' ' VAL . 26.1 m -62.25 -50.44 71.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.978 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.676 ' HA ' HD12 ' A' 1378 ' ' LEU . 3.4 t30 -53.81 -32.79 54.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.32 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.519 ' O ' ' HB3' ' A' 1380 ' ' SER . 91.3 t80 -74.49 -56.43 4.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.763 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 79.6 mt -50.97 -26.1 5.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.067 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' 1375 ' ' ASN . 45.3 mt -70.39 -56.09 7.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.312 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -94.1 -67.43 0.86 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.378 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.519 ' HB3' ' O ' ' A' 1376 ' ' PHE . 24.9 p 39.81 89.58 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.885 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.118 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.856 0.36 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -138.13 156.03 48.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.683 ' HB ' HD23 ' B' ' 67' ' ' LEU . 36.4 pt -135.35 156.12 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -116.63 94.55 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.269 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.548 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 77.5 t -65.03 147.35 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.941 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -127.63 110.2 12.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.498 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 58.4 p -87.85 146.23 25.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.014 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.646 HD21 HG22 ' B' ' 70' ' ' VAL . 3.3 mm? -62.89 -20.94 65.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.808 0.337 . . . . 0.0 111.01 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 39.5 m -67.02 -23.72 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.04 52.65 0.73 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.404 ' HE3' ' OE1' ' B' ' 34' ' ' GLU . 56.8 tttm -138.81 144.94 39.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -117.69 100.96 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.548 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 72.1 mt -85.76 133.27 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.409 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.5 m -107.75 113.02 25.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.47 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.0 tp -120.25 150.85 40.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -116.7 114.51 24.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.777 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.6 -170.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.052 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -119.96 167.19 12.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -72.34 -17.74 61.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.8 t -92.5 -12.56 31.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.053 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.26 150.47 34.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 21.3 p -90.79 171.99 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.43 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.42 -58.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.536 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -51.26 -37.94 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -55.66 -45.85 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.163 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.484 HG11 HD21 ' B' ' 43' ' ' LEU . 60.2 t -59.82 -43.96 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.475 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -52.71 -43.22 65.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.631 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.5 m -64.75 -48.29 75.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.758 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.35 -31.88 64.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.737 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.4 mt -76.02 -37.51 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.03 -40.14 92.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -81.98 -16.62 49.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -79.78 -37.35 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.571 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.404 ' OE1' ' HE3' ' B' ' 11' ' ' LYS . 58.4 mm-40 -130.71 -68.72 0.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.42 4.57 0.3 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.4 mm -61.67 129.4 91.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.781 0.29 . . . . 0.0 110.632 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.1 Cg_endo -55.46 129.22 33.98 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.673 2.248 . . . . 0.0 112.428 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 8.1 Cg_exo -73.21 -31.04 9.86 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.82 2.347 . . . . 0.0 112.552 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -78.31 0.94 23.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.319 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -123.45 -43.77 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.248 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.521 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 12.5 pt20 -66.6 157.81 31.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.609 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -149.52 145.4 26.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.422 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.484 HD21 HG11 ' B' ' 26' ' ' VAL . 2.1 mp -94.94 130.26 41.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.346 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.581 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 4.7 mp -124.58 139.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.557 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.429 ' HE1' ' HB2' ' B' ' 65' ' ' SER . 66.7 t80 -138.75 131.79 29.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.88 19.63 2.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.474 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.03 -30.84 9.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.594 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -90.92 122.05 33.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 12.2 pt20 -72.37 155.08 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.527 HD21 HD11 ' B' ' 61' ' ' ILE . 5.7 mp -106.32 124.09 49.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.04 140.28 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.44 159.7 9.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.57 -32.79 4.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.641 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.434 HH21 ' HB3' ' B' ' 58' ' ' ASP . 47.7 mtp180 -81.72 176.14 9.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.689 0.28 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -105.77 155.33 19.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.163 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.542 ' HB3' HD12 ' B' ' 61' ' ' ILE . 54.3 mt -62.98 -14.88 53.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -81.26 -21.96 39.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.342 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.434 ' HB3' HH21 ' B' ' 54' ' ' ARG . 4.1 m-20 -73.25 -4.21 31.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.416 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -126.44 -3.92 6.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.486 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t30 57.46 96.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.758 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' B' ' 56' ' ' LEU . 56.5 mt -121.0 128.16 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -80.11 178.14 8.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.404 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -84.61 146.06 27.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.711 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 56.19 21.49 5.29 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.903 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.429 ' HB2' ' HE1' ' B' ' 45' ' ' PHE . 91.9 p -63.93 -179.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.348 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.9 m -117.94 119.01 33.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.683 HD23 ' HB ' ' B' ' 3' ' ' ILE . 4.6 mm? -103.67 163.98 11.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.578 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.581 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 44.7 m-70 -129.04 125.29 36.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 111.032 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 41' ' ' GLN . 20.8 tp -104.21 106.02 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.646 HG22 HD21 ' B' ' 8' ' ' LEU . 8.4 t -120.36 147.11 24.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.647 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.64 0.257 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 66.5 m -76.35 -34.54 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.119 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.49 -43.27 88.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1345 ' ' ALA . . . . . 0.479 ' HA ' HD23 ' A' 1370 ' ' LEU . . . -61.17 -44.12 97.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 36.3 t -62.82 -34.77 67.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.652 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -70.59 -42.91 70.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.466 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -29.06 69.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.389 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.488 HD12 ' HB1' ' A' 1359 ' ' ALA . 28.7 mt -80.6 -36.37 32.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.669 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.9 t -66.06 -11.42 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -106.15 11.01 44.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.676 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.1 mtp -96.9 -49.43 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.718 0.294 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 169.04 18.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.7 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1354 ' ' PHE . . . . . 0.412 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -145.79 174.96 10.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 111.264 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 70.7 p -84.39 174.9 9.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.513 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -73.15 -23.16 60.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.7 -62.51 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.06 -31.28 40.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1359 ' ' ALA . . . . . 0.488 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -72.85 -36.3 67.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.676 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -64.06 -45.01 90.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -67.43 -52.66 36.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.09 -45.47 68.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.277 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.517 ' HA ' ' HB2' ' A' 1373 ' ' ALA . 17.3 mt -63.87 -59.62 4.3 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.555 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -45.87 -64.46 0.73 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.696 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1365 ' ' LYS . . . . . 0.407 ' C ' ' H ' ' A' 1367 ' ' ASN . 23.7 tptm -52.15 -52.54 51.18 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 124.0 0.812 . . . . 0.0 112.185 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.529 ' O ' ' HB2' ' A' 1367 ' ' ASN . 2.7 p -58.94 -9.57 1.94 Allowed 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' 1366 ' ' CYS . 45.4 m-80 92.39 53.78 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.487 0 O-C-N 124.408 1.068 . . . . 0.0 109.654 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.43 ' N ' ' O ' ' A' 1363 ' ' LEU . 82.2 m95 39.49 74.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.654 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 13.5 m-20 -143.48 126.32 16.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.259 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1370 ' ' LEU . . . . . 0.554 HD12 HD13 ' B' ' 8' ' ' LEU . 2.4 tm? -49.76 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1371 ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -54.55 -44.65 73.08 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.361 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -56.74 -34.96 68.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1373 ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -67.65 -41.04 84.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.626 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1374 ' ' THR . . . . . . . . . . . . . 21.5 m -63.78 -54.49 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.051 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 1.6 t30 -55.69 -34.15 64.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.859 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.501 ' HA ' ' HB2' ' A' 1380 ' ' SER . 46.7 t80 -71.99 -35.58 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.777 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 16.0 tp -77.3 -19.65 56.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.473 HD22 ' HB2' ' B' ' 49' ' ' GLN . 50.8 mt -89.19 -64.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.772 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -81.07 -63.37 1.42 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.319 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.501 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 4.1 m -60.64 -179.93 0.14 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.124 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.249 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.709 0.29 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -118.55 154.42 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 111.458 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 pt -134.48 159.03 42.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -123.29 104.53 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.972 0.415 . . . . 0.0 111.411 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.481 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 53.4 t -95.26 130.0 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.141 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.494 ' HD3' ' ND1' ' B' ' 68' ' ' HIS . 13.4 ptmm? -110.83 133.65 53.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 111.801 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.404 HG22 ' CD2' ' B' ' 69' ' ' LEU . 73.1 p -85.1 155.16 21.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.01 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.554 HD13 HD12 ' A' 1370 ' ' LEU . 87.1 mt -75.5 6.92 4.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 111.071 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 64.4 m -103.43 -27.55 12.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.63 57.2 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -144.21 137.99 27.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 111.036 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.1 m -93.61 143.53 26.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.313 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.481 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 71.8 mt -128.5 109.71 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.244 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 33.0 m -97.98 117.22 31.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.339 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.2 tp -129.01 136.49 50.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.913 0.387 . . . . 0.0 111.777 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -98.09 98.24 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.145 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -112.36 -169.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.735 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.43 164.79 26.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.552 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -75.9 5.57 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.311 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -106.53 -22.15 12.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -65.82 157.9 29.21 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.287 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 75.2 p -110.29 157.95 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.34 -40.53 57.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.63 -33.11 65.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.443 ' ND2' ' HE3' ' B' ' 29' ' ' LYS . 47.7 t30 -81.89 -29.16 32.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 98.9 t -61.87 -53.78 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.023 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.567 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 4.8 mptp? -52.89 -36.27 59.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.1 t -65.17 -49.9 68.02 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.509 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.443 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 98.8 mttt -56.57 -36.07 68.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.403 ' HB ' HE22 ' B' ' 41' ' ' GLN . 63.1 mt -70.28 -37.62 71.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.88 -42.22 93.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.325 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.79 -6.64 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.456 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -92.3 -32.79 14.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -131.6 -69.41 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.1 -7.26 0.25 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.694 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mm -65.08 118.67 51.79 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.712 0.256 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.486 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 52.6 Cg_exo -53.8 132.02 47.24 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.493 2.128 . . . . 0.0 112.284 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.567 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.2 Cg_exo -59.0 -39.21 82.81 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.536 2.157 . . . . 0.0 112.42 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.94 -10.88 23.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.263 0.554 . . . . 0.0 110.064 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.653 ' O ' ' HB3' ' B' ' 71' ' ' LEU . 75.6 mt-30 -109.55 -16.05 14.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.539 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.503 ' C ' ' HZ2' ' B' ' 27' ' ' LYS . 33.1 mt-30 -93.74 128.83 40.16 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.475 ' HD2' HD23 ' B' ' 71' ' ' LEU . 94.8 mtt180 -136.27 124.31 22.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.828 177.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.5 ' HG ' ' NZ ' ' B' ' 27' ' ' LYS . 30.9 mt -88.02 147.01 25.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 111.879 -178.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.467 HD11 HG11 ' B' ' 70' ' ' VAL . 18.3 mt -134.78 128.48 50.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.749 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -132.16 139.29 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.745 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.78 14.56 6.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.418 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.38 -15.41 62.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.953 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -104.15 138.51 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.337 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.473 ' HB2' HD22 ' A' 1378 ' ' LEU . 28.4 tt0 -70.97 151.8 44.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.466 ' N ' HD12 ' B' ' 50' ' ' LEU . 6.2 mp -103.74 122.64 45.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.931 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -79.99 176.86 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -101.15 14.34 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -111.81 10.72 27.61 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.85 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -136.1 170.65 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.4 p -101.78 179.91 4.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.5 mt -72.17 -24.1 61.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.979 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.7 m -76.68 -21.99 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -70.26 -17.78 63.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.206 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.493 ' HB2' HG13 ' B' ' 61' ' ' ILE . 76.8 m-85 -110.44 5.13 21.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.059 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 56.57 26.98 11.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.311 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.493 HG13 ' HB2' ' B' ' 59' ' ' TYR . 54.3 mt -57.77 120.34 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.97 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -75.61 179.74 5.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -82.26 147.59 28.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 57.06 19.9 5.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t -61.71 168.87 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 55.3 m -123.97 107.81 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.481 ' HB3' HD22 ' B' ' 43' ' ' LEU . 9.1 mp -97.47 162.48 13.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.458 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.494 ' ND1' ' HD3' ' B' ' 6' ' ' LYS . 25.5 m-70 -112.51 144.64 41.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.066 0.46 . . . . 0.0 111.697 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.404 ' CD2' HG22 ' B' ' 7' ' ' THR . 54.0 tp -95.9 138.67 33.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.06 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.553 HG22 ' H ' ' B' ' 71' ' ' LEU . 1.3 p -146.99 172.24 3.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.653 ' HB3' ' O ' ' B' ' 40' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.487 0 O-C-N 124.282 0.989 . . . . 0.0 110.588 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 51.2 pttt . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 19.8 m -57.19 -16.22 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.687 0.279 . . . . 0.0 110.768 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -43.54 95.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.435 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.29 89.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.915 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.9 t -61.4 -35.96 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -73.58 -37.55 65.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -67.84 -33.27 74.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.031 0.443 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.462 HD12 HD11 ' A' 1363 ' ' LEU . 91.0 mt -76.43 -21.99 55.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 46.4 t -65.18 -30.41 71.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -90.12 42.07 2.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.424 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 82.3 mtp -133.11 -51.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.6 0.238 . . . . 0.0 111.092 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 162.73 15.81 0.03 OUTLIER Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.028 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.03 149.4 44.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.956 0.408 . . . . 0.0 111.245 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 66.7 p -68.57 170.9 8.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.328 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1356 ' ' GLU . . . . . 0.458 ' CD ' ' H ' ' A' 1356 ' ' GLU . 2.3 mp0 -67.76 -27.6 66.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.33 -61.35 2.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.689 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -53.66 -35.58 61.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.767 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -69.77 -39.2 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.84 -53.84 52.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1361 ' ' ASN . . . . . 0.432 ' O ' ' HD3' ' A' 1365 ' ' LYS . 47.4 m-80 -62.11 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.6 -54.86 41.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.345 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' 1368 ' ' TRP . 6.8 mt -57.98 -59.2 5.63 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.309 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -45.73 -64.59 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.283 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1365 ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' 1361 ' ' ASN . 5.6 mptp? -49.7 -55.83 12.42 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.776 0.673 . . . . 0.0 111.751 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' 1367 ' ' ASN . 97.7 m -56.11 -13.0 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.656 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' 1366 ' ' CYS . 8.4 t30 96.38 52.11 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.353 1.033 . . . . 0.0 109.074 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' 1363 ' ' LEU . 83.0 m95 38.93 73.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.679 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 22.1 m-20 -137.3 135.38 37.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.574 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.02 -39.05 25.46 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.813 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -61.71 -42.64 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.377 . . . . 0.0 111.173 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1373 ' ' ALA . . . . . 0.419 ' HB2' HD23 ' A' 1363 ' ' LEU . . . -58.76 -52.63 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.68 HG21 HG21 ' B' ' 70' ' ' VAL . 29.6 m -55.28 -43.34 74.63 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 3.5 t30 -62.91 -27.4 69.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.116 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' 1380 ' ' SER . 41.6 t80 -70.53 -40.11 73.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.948 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.71 -19.92 61.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.874 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.552 HD22 ' HB2' ' B' ' 49' ' ' GLN . 60.8 mt -86.88 -64.39 1.16 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.541 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -85.6 -61.49 1.75 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.643 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' 1376 ' ' PHE . 60.7 m -57.99 -10.87 2.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.481 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.17 179.879 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.446 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 25.5 ptm . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -111.3 149.94 30.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.9 pt -132.52 146.68 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.779 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 91.7 m-85 -114.42 106.21 14.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.238 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.565 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 48.3 t -75.45 144.69 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.628 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -130.7 100.97 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.436 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.466 ' HB ' HG22 ' B' ' 9' ' ' THR . 47.0 p -89.65 143.3 26.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.198 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.495 HD21 HG22 ' B' ' 70' ' ' VAL . 3.1 mm? -65.02 -19.73 66.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.669 0.271 . . . . 0.0 111.084 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.466 HG22 ' HB ' ' B' ' 7' ' ' THR . 5.9 t -72.02 -6.78 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.73 52.69 2.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.57 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -141.3 125.69 17.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 110.662 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 80.2 m -105.77 130.69 53.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.583 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.565 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 21.9 mt -116.13 149.4 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.479 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 66.1 m -126.62 112.75 15.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.439 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 51.1 tp -126.79 146.56 50.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.387 . . . . 0.0 111.382 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -111.12 106.24 15.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.16 -171.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.173 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -114.46 172.51 6.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p -75.41 -15.2 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -93.3 -12.4 30.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.52 133.28 50.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.8 p -82.28 -173.75 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.2 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.436 HG22 ' HE3' ' B' ' 27' ' ' LYS . 36.7 mm -80.2 -50.22 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.649 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.28 -33.08 67.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.158 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -62.07 -40.61 96.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.31 -34.39 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.559 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.509 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 32.7 mmtp -60.1 -44.31 94.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.7 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -67.28 -48.23 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.748 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -53.49 -38.53 63.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.1 mt -75.68 -34.21 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.679 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.14 -34.35 76.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -79.42 -12.08 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -94.73 -66.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.807 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -91.07 -74.95 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.35 51.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.243 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.461 HG22 ' HB3' ' B' ' 41' ' ' GLN . 4.2 mp -98.55 130.68 27.47 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.42 114.52 1.86 Allowed 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.523 2.148 . . . . 0.0 112.771 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.546 ' HA ' HE21 ' B' ' 41' ' ' GLN . 35.9 Cg_exo -62.25 -19.95 68.51 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.71 2.274 . . . . 0.0 112.749 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.51 -1.86 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.632 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -129.45 -42.51 1.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.672 0.272 . . . . 0.0 111.618 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.557 ' HB2' HD21 ' B' ' 69' ' ' LEU . 28.4 pt20 -61.08 157.2 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 0.0 111.749 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.615 HH21 ' HG2' ' B' ' 49' ' ' GLN . 12.0 ptm180 -161.51 142.9 11.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.249 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.509 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 69.6 mt -92.29 142.76 27.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.951 0.405 . . . . 0.0 111.85 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.562 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 5.0 mp -132.37 142.24 43.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.817 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -145.36 130.11 18.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.63 17.83 8.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.34 18.54 62.25 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.282 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -127.46 127.5 44.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.733 0.301 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.615 ' HG2' HH21 ' B' ' 42' ' ' ARG . 52.5 tp60 -61.92 139.82 58.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.047 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' B' ' 43' ' ' LEU . 66.6 mt -93.78 98.79 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.48 136.61 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.46 146.68 52.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.26 -36.58 4.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.403 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -86.6 146.77 26.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.677 0.275 . . . . 0.0 110.735 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.8 p -74.07 -177.46 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.9 mt -81.94 -8.77 59.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.17 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.6 p -81.22 -22.17 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.169 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.87 -4.86 34.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.325 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.516 ' HB2' HG13 ' B' ' 61' ' ' ILE . 88.7 m-85 -129.58 14.49 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.231 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 56.77 22.57 7.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.498 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.516 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.7 mt -62.42 105.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.789 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.97 -167.79 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.386 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.446 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 20.6 mmtp -85.22 151.95 23.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.075 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.2 24.51 11.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 p -67.69 157.08 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.198 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 30.7 m -102.85 106.59 17.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.731 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.07 153.06 18.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.467 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.562 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.1 m-70 -114.7 127.87 56.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.173 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' B' ' 41' ' ' GLN . 2.9 tm? -110.03 111.53 22.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.759 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.68 HG21 HG21 ' A' 1374 ' ' THR . 4.3 t -124.56 156.55 32.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.657 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.8 mp . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.036 0.446 . . . . 0.0 111.378 -179.802 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 51.9 mtmt . . . . . 0 CA--C 1.529 0.142 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.8 t -81.44 -48.08 12.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.63 0.253 . . . . 0.0 111.306 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.95 -28.83 58.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -68.93 -48.2 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1346 ' ' VAL . . . . . 0.433 HG13 ' HB3' ' A' 1359 ' ' ALA . 38.3 t -61.71 -33.39 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.189 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -72.33 -44.64 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.95 -37.15 83.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.761 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.476 HD12 ' HB1' ' A' 1359 ' ' ALA . 93.2 mt -74.75 -40.01 61.49 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.222 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 86.7 p -62.8 -15.31 53.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.152 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -101.0 11.8 58.89 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.638 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.3 mtp -99.9 -44.92 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.326 . . . . 0.0 110.974 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 168.83 -2.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.743 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.45 175.95 5.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 41.2 p -89.71 174.99 7.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.98 -25.98 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.49 -52.49 21.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.521 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.94 -32.48 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.25 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1359 ' ' ALA . . . . . 0.476 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -70.5 -47.51 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.859 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -57.81 -45.77 85.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -65.94 -49.22 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.068 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.34 -53.35 55.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.369 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' 1369 ' ' ASP . 9.0 mt -57.33 -59.33 5.29 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -45.3 -64.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.005 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -49.11 -55.78 11.17 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.956 0.785 . . . . 0.0 111.83 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.475 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 72.4 m -58.78 -10.16 2.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.684 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' 1366 ' ' CYS . 63.8 m-20 93.25 53.26 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 124.257 0.973 . . . . 0.0 109.063 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.471 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.0 m95 41.31 81.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.651 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.662 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 18.0 t70 -148.06 132.91 18.03 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1370 ' ' LEU . . . . . 0.577 HD12 HD13 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -55.58 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.664 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -49.69 -44.62 48.15 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.662 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -56.8 -39.23 73.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.766 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -64.88 -47.06 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.506 ' HB ' HG21 ' B' ' 70' ' ' VAL . 90.6 m -62.57 -55.8 23.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.946 0.403 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.56 ' HA ' HD12 ' A' 1378 ' ' LEU . 3.6 t30 -51.55 -34.08 35.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.497 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.514 ' O ' ' HB3' ' A' 1380 ' ' SER . 80.5 t80 -69.49 -61.7 1.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.75 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 76.8 mt -50.69 -32.72 20.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.445 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' 1375 ' ' ASN . 82.6 mt -61.95 -54.6 39.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -94.26 -68.13 0.82 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' 1376 ' ' PHE . 19.7 p 38.75 33.67 0.08 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.006 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.147 -179.9 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -134.98 154.11 51.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -129.94 170.41 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.031 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -129.58 103.85 7.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.329 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.0 t -88.39 112.32 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.823 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -100.83 121.29 41.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.311 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.462 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 67.3 p -85.17 145.05 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.435 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.577 HD13 HD12 ' A' 1370 ' ' LEU . 94.5 mt -68.27 -5.21 17.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.118 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -83.27 -20.93 33.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.952 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.0 51.45 0.64 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.635 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -144.06 145.0 31.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 55.5 m -110.09 130.06 55.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -119.88 129.69 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.398 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 31.4 m -109.34 112.84 25.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.672 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.505 HD11 HG12 ' B' ' 30' ' ' ILE . 37.5 mt -116.42 171.43 7.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.138 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -129.3 117.75 21.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.629 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.48 -171.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.38 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -128.28 172.12 11.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.1 m -75.97 -0.01 20.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.1 m -123.5 -6.71 8.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.81 145.0 56.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 35.4 p -88.32 178.42 6.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.518 HD12 HD13 ' B' ' 50' ' ' LEU . 47.7 mm -79.98 -54.69 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.253 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.81 -33.94 57.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -58.52 -43.54 89.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.028 0.442 . . . . 0.0 109.831 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.28 -40.17 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.371 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.59 ' HB3' HE21 ' B' ' 41' ' ' GLN . 31.2 mmtp -59.55 -39.61 84.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.017 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -65.56 -40.05 92.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.245 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -60.33 -40.71 91.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.457 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.505 HG12 HD11 ' B' ' 15' ' ' LEU . 66.3 mt -70.13 -34.81 60.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -68.59 -32.62 72.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.063 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -86.64 -23.25 25.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.525 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -90.46 -60.96 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.682 0.277 . . . . 0.0 111.373 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -89.88 -75.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.136 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.27 11.41 0.48 Allowed Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.361 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.499 HD12 ' N ' ' B' ' 36' ' ' ILE . 3.1 mp -69.06 134.26 89.66 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 117.093 0.447 . . . . 0.0 110.081 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.5 Cg_endo -52.09 126.05 19.12 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.537 2.158 . . . . 0.0 112.355 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 12.4 Cg_exo -70.76 -30.15 18.03 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.814 2.343 . . . . 0.0 112.683 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.59 -0.28 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.392 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -123.26 -35.55 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.513 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.59 HE21 ' HB3' ' B' ' 27' ' ' LYS . 14.1 pt20 -71.28 138.81 49.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.961 0.41 . . . . 0.0 111.298 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -138.91 133.36 31.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.443 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.555 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 77.7 mt -98.57 113.89 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.285 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.528 HD13 HD21 ' A' 1378 ' ' LEU . 16.8 mt -108.24 141.99 22.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.808 0.337 . . . . 0.0 110.804 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -133.22 129.32 37.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.991 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 18.92 4.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.338 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.87 -20.95 48.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.518 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -97.12 116.15 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.731 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 4.5 pm0 -61.76 155.62 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.518 HD13 HD12 ' B' ' 23' ' ' ILE . 55.7 mt -99.68 110.61 23.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.88 163.05 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.95 0.405 . . . . 0.0 111.503 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -82.87 147.01 28.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.686 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.53 -26.67 22.93 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.252 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.596 HH21 ' HB3' ' B' ' 58' ' ' ASP . 51.7 mtp180 -96.61 155.67 16.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.737 0.303 . . . . 0.0 110.695 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 65.0 p -93.25 -177.2 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.484 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 24.5 mt -77.62 -12.98 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.202 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -81.76 -25.23 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.247 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.596 ' HB3' HH21 ' B' ' 54' ' ' ARG . 15.0 m-20 -70.79 -16.72 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.331 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.1 2.0 12.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.161 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 56.17 89.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -122.43 121.89 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.094 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.11 -172.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.84 145.8 25.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 61.13 21.73 12.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -58.75 170.07 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.3 m -119.16 109.44 15.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.343 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.536 ' HB3' HD22 ' B' ' 43' ' ' LEU . 3.7 mm? -92.65 150.02 20.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.685 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -102.15 129.72 48.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 0.9 OUTLIER -99.6 103.77 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.436 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.506 HG21 ' HB ' ' A' 1374 ' ' THR . 9.3 p -117.13 148.92 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.37 -179.378 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.679 0.276 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.3 t -77.06 -32.73 57.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.346 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1344 ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' 1348 ' ' GLU . 2.2 mm? -59.53 -45.28 92.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.079 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.62 85.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.7 t -59.94 -39.76 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.258 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.82 -24.15 48.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1348 ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' 1344 ' ' LEU . 0.6 OUTLIER -81.15 -26.53 36.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.478 HD11 HD21 ' A' 1363 ' ' LEU . 56.8 mt -85.34 -27.47 25.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 83.5 p -63.18 -11.81 23.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -109.04 28.83 10.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.636 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 91.0 mtp -118.42 -37.56 3.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.606 0.241 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 158.47 13.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.892 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.71 171.6 13.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 74.5 p -85.8 -179.13 6.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.459 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.9 -39.12 66.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.25 -55.3 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -56.27 -30.36 62.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.489 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -73.38 -42.14 62.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.883 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -59.69 -48.17 82.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -65.67 -47.59 75.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.686 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.6 -49.69 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.381 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.744 ' HA ' ' HB2' ' A' 1373 ' ' ALA . 11.6 mt -63.95 -59.79 4.06 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.516 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -45.5 -64.0 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.536 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -50.8 -53.48 31.6 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 124.106 0.879 . . . . 0.0 111.862 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' 1367 ' ' ASN . 4.4 p -61.18 -7.58 2.85 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.601 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' 1366 ' ' CYS . 69.2 m-20 93.2 52.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.228 0.955 . . . . 0.0 109.572 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.5 m95 37.58 77.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.682 -1.145 . . . . 0.0 112.038 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 43.2 m-20 -152.49 136.05 16.05 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.244 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1370 ' ' LEU . . . . . 0.439 HD13 HD12 ' B' ' 8' ' ' LEU . 15.4 mt -60.46 -78.1 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.17 -40.43 15.86 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.554 ' HA ' ' OD1' ' A' 1375 ' ' ASN . . . -61.57 -50.72 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.095 0.474 . . . . 0.0 110.777 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1373 ' ' ALA . . . . . 0.744 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -63.27 -30.68 71.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.458 ' O ' ' HG ' ' A' 1378 ' ' LEU . 36.9 m -71.64 -55.65 7.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.72 ' HA ' HD12 ' A' 1378 ' ' LEU . 0.4 OUTLIER -56.23 -30.45 62.38 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' 1380 ' ' SER . 88.0 t80 -68.1 -57.5 5.98 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.808 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 60.7 mt -51.51 -34.61 36.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' 1375 ' ' ASN . 88.0 mt -57.01 -55.93 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -94.78 -68.28 0.81 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.483 ' HB3' ' O ' ' A' 1376 ' ' PHE . 25.0 p 41.37 -158.74 0.01 OUTLIER 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.851 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.015 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.76 0.314 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 20.0 pt20 -125.83 146.99 49.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.557 ' HB ' HD23 ' B' ' 67' ' ' LEU . 47.6 pt -128.38 159.97 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.985 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -123.46 105.87 10.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.471 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 11.0 t -71.84 148.4 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -135.86 107.11 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.311 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.418 HG22 ' HB3' ' B' ' 69' ' ' LEU . 66.8 p -86.38 147.44 26.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.439 HD12 HD13 ' A' 1370 ' ' LEU . 3.5 mm? -62.45 -21.93 65.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.721 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.5 p -67.9 -28.75 67.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.0 35.4 1.83 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -120.54 129.64 53.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.769 0.318 . . . . 0.0 110.744 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.7 m -105.32 127.79 53.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.471 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 28.4 mt -114.07 145.75 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -121.56 123.98 43.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.907 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.03 165.73 25.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.156 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 37.2 tt0 -123.72 105.82 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.0 m -109.49 -170.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.441 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -115.57 169.87 8.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.727 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.2 t -75.23 -32.75 61.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -95.92 10.47 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.72 143.14 53.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -92.65 155.94 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.3 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.505 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.5 mm -62.33 -45.73 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.188 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -52.21 -36.17 51.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.757 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -70.32 -35.54 73.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.829 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.89 -55.07 23.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.686 ' HG3' ' HG3' ' B' ' 41' ' ' GLN . 3.8 mptp? -55.07 -38.38 67.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.434 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -62.43 -49.91 73.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -56.5 -46.24 80.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.48 -40.58 86.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.335 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -62.45 -39.04 92.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -88.53 -6.64 57.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.581 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -106.45 -68.59 0.87 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.648 0.261 . . . . 0.0 111.585 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -78.31 -67.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.002 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.3 1.24 0.57 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.307 -0.949 . . . . 0.0 113.38 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.503 HD12 ' N ' ' B' ' 36' ' ' ILE . 4.0 mp -81.67 125.59 77.83 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 117.145 0.473 . . . . 0.0 110.583 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.2 Cg_exo -58.86 143.49 99.29 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.462 2.108 . . . . 0.0 112.554 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.551 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 11.6 Cg_exo -71.24 -43.76 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.018 2.478 . . . . 0.0 112.644 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.28 8.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.525 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.567 ' O ' ' HB3' ' B' ' 71' ' ' LEU . 37.3 mt-30 -131.6 -20.1 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.273 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.686 ' HG3' ' HG3' ' B' ' 27' ' ' LYS . 29.0 pt20 -105.04 137.83 42.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 111.84 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.512 ' NE ' HD22 ' B' ' 71' ' ' LEU . 99.7 mtt180 -127.95 148.77 50.52 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.732 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.683 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 1.9 tp -97.72 132.59 43.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.044 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.568 HD11 HG11 ' B' ' 70' ' ' VAL . 71.3 mt -126.92 139.89 50.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 111.334 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -142.77 131.14 22.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.465 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.32 14.37 7.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.263 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.57 18.5 54.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.661 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -126.31 138.31 53.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.835 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -75.02 128.01 34.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.792 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' B' ' 43' ' ' LEU . 37.6 mt -86.63 105.58 16.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.746 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.65 153.74 27.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.505 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.6 m-20 -84.93 4.22 34.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.8 -4.93 58.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -128.89 177.37 7.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 46.4 p -103.82 -177.51 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.193 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.412 ' HB3' HD12 ' B' ' 61' ' ' ILE . 62.5 mt -69.03 -36.26 77.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.3 m -66.81 -23.78 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -64.36 -27.89 69.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.215 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -110.76 2.62 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.056 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 59.66 96.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.278 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' B' ' 56' ' ' LEU . 74.7 mt -124.08 129.07 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -77.89 -177.83 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.981 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -89.66 146.32 24.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.756 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 60.45 22.18 11.82 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.861 0.363 . . . . 0.0 110.575 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.4 m -65.97 170.38 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.983 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.1 m -112.36 104.99 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.392 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.557 HD23 ' HB ' ' B' ' 3' ' ' ILE . 4.4 mm? -89.74 154.13 20.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.51 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.4 m-70 -115.11 141.6 47.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.996 0.426 . . . . 0.0 111.711 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' B' ' 41' ' ' GLN . 8.6 tp -104.31 104.78 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.693 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.585 HG22 ' H ' ' B' ' 71' ' ' LEU . 1.3 p -111.95 172.3 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.777 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.585 ' H ' HG22 ' B' ' 70' ' ' VAL . 11.8 tp . . . . . 0 N--CA 1.466 0.337 0 O-C-N 124.114 0.884 . . . . 0.0 111.03 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1342 ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' 1346 ' ' VAL . 60.9 mttp . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.614 0.245 . . . . 0.0 111.399 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 49.3 m -79.4 -31.68 42.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.155 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.5 -44.88 85.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.3 94.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 110.755 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1346 ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' 1342 ' ' LYS . 64.0 t -61.86 -36.88 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.8 -30.44 45.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -74.85 -24.59 58.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.132 0.492 . . . . 0.0 110.096 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.423 HD12 HD11 ' A' 1363 ' ' LEU . 81.0 mt -87.4 -14.87 39.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 70.1 m -69.8 -33.5 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.677 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -78.09 -10.27 86.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.472 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 94.2 mmm -70.92 -62.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 168.85 14.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.65 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1354 ' ' PHE . . . . . 0.41 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -137.76 159.82 40.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.85 0.357 . . . . 0.0 111.094 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.0 p -72.83 178.57 4.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.678 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -73.61 -30.04 62.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.422 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.21 -55.96 20.65 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.836 0.35 . . . . 0.0 110.773 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1358 ' ' GLU . . . . . 0.409 ' HB3' HD11 ' A' 1377 ' ' LEU . 17.9 mm-40 -56.62 -37.3 70.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -72.31 -28.91 63.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.611 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -66.76 -53.46 32.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.28 -43.63 85.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 0.0 110.481 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.05 65.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.314 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' 1369 ' ' ASP . 11.7 mt -61.63 -60.0 4.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.574 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -46.01 -64.9 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.868 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -49.31 -56.13 10.51 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 124.019 0.825 . . . . 0.0 111.867 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.463 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 76.5 m -54.27 -15.05 1.36 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.496 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' 1366 ' ' CYS . 14.1 t-20 97.27 49.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.387 1.054 . . . . 0.0 109.179 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.422 ' N ' ' O ' ' A' 1363 ' ' LEU . 95.4 m95 41.62 78.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.222 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.514 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 43.5 m-20 -145.18 137.23 25.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1370 ' ' LEU . . . . . 0.447 HD12 HD13 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -60.53 -73.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.966 -179.126 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1371 ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.2 OUTLIER -49.45 -43.54 44.99 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.514 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -60.97 -40.53 93.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.828 0.347 . . . . 0.0 111.237 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -63.37 -55.09 27.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.713 HG21 HG21 ' B' ' 70' ' ' VAL . 26.9 m -54.83 -43.35 72.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.036 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.483 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.8 t30 -63.48 -29.99 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.043 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.478 ' HA ' ' HB2' ' A' 1380 ' ' SER . 38.5 t80 -68.32 -37.4 80.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.19 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1377 ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' 1358 ' ' GLU . 4.6 mm? -74.79 -24.8 58.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' 1375 ' ' ASN . 38.3 mt -80.64 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.448 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -88.78 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.416 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.478 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 57.9 m -57.47 174.91 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.962 0.411 . . . . 0.0 111.315 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.16 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.528 ' HG2' ' HG3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.66 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -107.26 168.38 9.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -143.36 141.69 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.924 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -108.96 93.16 4.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.476 HG22 ' HB2' ' B' ' 67' ' ' LEU . 70.8 t -90.86 104.78 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -89.06 143.47 26.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.427 HG22 HD23 ' B' ' 69' ' ' LEU . 70.7 p -103.76 159.34 15.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.552 HD11 HG13 ' B' ' 70' ' ' VAL . 92.0 mt -69.25 -15.45 63.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -77.65 -12.87 60.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.227 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.53 48.88 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.414 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -132.01 151.67 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.772 0.32 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -115.09 96.98 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.523 HD13 HG23 ' B' ' 30' ' ' ILE . 56.9 mt -85.28 110.15 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 74.5 m -99.6 121.79 41.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.29 172.86 11.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -127.86 112.47 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.39 -169.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.74 169.4 13.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.816 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 55.7 m -69.19 -24.29 64.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.9 m -97.54 10.08 40.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.55 152.8 31.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.9 p -107.75 163.43 13.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.43 HG22 ' HD3' ' B' ' 27' ' ' LYS . 44.9 mm -61.33 -47.34 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -50.47 -44.11 55.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.31 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -59.39 -45.97 89.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.32 -40.84 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.503 ' HE3' ' HB2' ' B' ' 43' ' ' LEU . 5.8 mmmm -61.51 -45.83 92.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.602 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 68.4 m -60.75 -42.61 97.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -58.81 -47.22 85.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.86 0.362 . . . . 0.0 110.524 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.523 HG23 HD13 ' B' ' 13' ' ' ILE . 59.5 mt -65.16 -30.96 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.562 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -73.93 -28.36 61.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.114 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -87.32 -22.25 25.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.056 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -87.89 -67.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.18 -69.96 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.635 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.14 3.57 0.88 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.569 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.421 HG22 ' HB3' ' B' ' 41' ' ' GLN . 32.0 mm -60.83 113.24 7.2 Favored Pre-proline 0 CA--C 1.533 0.295 0 O-C-N 122.982 -0.128 . . . . 0.0 110.8 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.51 155.14 5.46 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.558 2.172 . . . . 0.0 112.739 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.428 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 61.3 Cg_endo -72.69 -41.97 1.36 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.694 2.262 . . . . 0.0 112.631 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.37 9.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.199 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.546 ' HG3' ' HG ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER -126.12 -45.03 1.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.543 -179.517 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.745 ' HB2' HD11 ' B' ' 69' ' ' LEU . 4.3 pt20 -66.33 134.68 53.09 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.459 HH12 ' HB2' ' A' 1375 ' ' ASN . 78.1 mtp180 -129.1 121.96 28.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.361 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.503 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 6.3 tp -89.19 120.77 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.959 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.8 mt -127.35 143.49 40.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.419 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -149.87 128.33 12.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.759 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.22 22.65 12.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.85 -7.4 80.2 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.651 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -91.16 139.82 30.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 111.058 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.24 107.43 15.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' B' ' 43' ' ' LEU . 85.8 mt -67.0 104.92 1.49 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -78.44 138.67 38.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 7.2 m-20 -75.27 113.61 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.63 -33.22 0.9 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -103.99 169.1 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -83.02 175.35 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.457 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.416 ' HB3' HD12 ' B' ' 61' ' ' ILE . 40.8 mt -71.6 -31.54 67.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.034 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -68.25 -25.69 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.44 -33.75 74.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -105.58 8.63 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 59.01 91.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.248 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' B' ' 56' ' ' LEU . 64.7 mt -127.31 119.58 52.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -75.27 -173.81 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.528 ' HG3' ' HG2' ' B' ' 1' ' ' MET . 4.8 mptp? -87.22 142.03 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 58.28 24.34 11.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -59.95 169.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.1 m -109.46 106.88 16.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.289 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.476 ' HB2' HG22 ' B' ' 5' ' ' VAL . 7.5 mp -101.39 168.35 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.25 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -127.94 153.22 46.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 111.079 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.745 HD11 ' HB2' ' B' ' 41' ' ' GLN . 12.8 tp -122.86 114.3 20.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.188 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.713 HG21 HG21 ' A' 1374 ' ' THR . 44.7 t -117.65 155.4 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 111.561 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.546 ' HG ' ' HG3' ' B' ' 40' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.862 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.75 0.309 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 48.9 m -81.27 -29.92 34.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.012 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.02 -38.89 77.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.756 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.08 90.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 38.8 t -67.96 -32.17 55.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.822 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -74.32 -37.55 63.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.34 -48.12 65.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.401 HD12 ' HB1' ' A' 1359 ' ' ALA . 90.9 mt -62.09 -38.64 89.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 46.9 t -61.18 -22.54 64.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -98.29 31.35 8.12 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.283 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 85.9 mtp -122.46 -68.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 0.0 110.97 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -167.15 11.74 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.762 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.47 171.09 14.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.796 0.332 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.3 p -88.13 177.29 6.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -73.11 -27.0 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.95 -60.5 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1358 ' ' GLU . . . . . 0.406 ' HB3' HD11 ' A' 1377 ' ' LEU . 47.3 mt-10 -55.89 -33.65 64.81 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.694 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1359 ' ' ALA . . . . . 0.401 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -67.94 -43.72 78.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -60.16 -53.35 58.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.105 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -59.31 -43.85 92.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.15 77.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.366 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' 1368 ' ' TRP . 5.5 mt -61.37 -59.52 5.15 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 111.077 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.59 -64.25 0.77 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.889 -178.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 99.8 mttt -51.12 -52.66 41.67 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.882 0.739 . . . . 0.0 111.64 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' 1367 ' ' ASN . 95.8 m -60.27 -9.07 2.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.694 0.283 . . . . 0.0 110.325 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' 1366 ' ' CYS . 18.1 t-20 92.53 53.63 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.142 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.487 ' N ' ' O ' ' A' 1363 ' ' LEU . 72.0 m95 39.65 77.44 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.647 -178.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.489 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 37.1 m-20 -146.09 126.49 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.103 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1370 ' ' LEU . . . . . 0.482 ' HG ' HD13 ' B' ' 8' ' ' LEU . 31.0 tp -61.48 -65.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1371 ' ' GLU . . . . . 0.401 ' OE2' ' HB3' ' A' 1369 ' ' ASP . 0.3 OUTLIER -50.96 -37.69 46.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.667 0.27 . . . . 0.0 111.072 -179.425 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -69.64 -35.67 75.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.424 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1373 ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -62.36 -49.84 73.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.167 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.613 HG21 HG21 ' B' ' 70' ' ' VAL . 31.8 m -58.84 -44.77 91.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.443 ' HA ' HD12 ' A' 1378 ' ' LEU . 1.6 t30 -60.95 -26.07 67.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.072 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' 1373 ' ' ALA . 45.3 t80 -70.52 -49.62 46.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.116 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1377 ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' 1358 ' ' GLU . 4.0 mm? -67.68 -19.99 65.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.476 HD11 HD11 ' B' ' 44' ' ' ILE . 76.5 mt -82.06 -61.14 1.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.13 -63.82 1.17 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.389 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 44.3 m -52.35 161.57 0.64 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.081 -179.865 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -128.85 157.01 42.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 111.032 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -131.69 137.87 54.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -102.77 94.45 5.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.538 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 70.9 t -75.07 147.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.955 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -135.48 109.98 8.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.105 0.479 . . . . 0.0 111.385 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.475 HG22 HD23 ' B' ' 69' ' ' LEU . 66.5 p -82.44 155.49 24.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.293 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.482 HD13 ' HG ' ' A' 1370 ' ' LEU . 90.2 mt -77.6 6.9 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -104.12 6.92 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.8 54.65 4.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -143.87 125.15 14.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 111.074 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -96.95 136.69 37.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.753 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 36.1 mt -128.58 98.97 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.147 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 34.1 m -87.57 112.73 22.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.401 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.527 HD11 ' HE3' ' B' ' 29' ' ' LYS . 42.4 tp -112.31 152.18 28.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.229 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -113.28 110.6 20.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.39 -170.84 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -123.28 -178.64 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -75.95 -25.76 56.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -90.87 11.24 23.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.074 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.16 145.45 28.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.708 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.436 ' O ' HG23 ' B' ' 26' ' ' VAL . 71.3 p -108.81 158.07 17.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.88 0.371 . . . . 0.0 111.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.71 -44.03 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.374 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -56.26 -32.66 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.049 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -78.85 -34.22 45.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 22' ' ' THR . 91.6 t -58.8 -53.74 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.337 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.443 ' HG3' ' HG3' ' B' ' 41' ' ' GLN . 5.5 mptp? -53.31 -38.58 63.31 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.2 m -64.09 -47.66 79.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.405 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.527 ' HE3' HD11 ' B' ' 15' ' ' LEU . 29.7 mtpp -60.22 -36.71 78.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.543 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.7 mt -72.56 -29.03 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.68 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -72.44 -36.78 68.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.747 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.52 -9.36 54.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -98.65 -36.93 9.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.068 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -116.28 -76.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.016 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.7 0.51 0.27 Allowed Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.163 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.493 HD12 ' N ' ' B' ' 36' ' ' ILE . 3.1 mp -66.45 133.63 94.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.833 0.317 . . . . 0.0 110.415 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.22 131.07 43.6 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.282 1.988 . . . . 0.0 112.046 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.536 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 70.1 Cg_endo -74.84 -42.59 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.572 2.181 . . . . 0.0 112.894 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -71.42 4.61 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.578 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.409 ' HG2' ' HB3' ' B' ' 71' ' ' LEU . 52.5 tt0 -124.79 -38.31 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.67 ' HB2' HD11 ' B' ' 69' ' ' LEU . 28.9 pt20 -75.4 143.79 42.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.408 ' O ' HD12 ' B' ' 69' ' ' LEU . 81.7 mtt180 -140.93 141.87 34.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.581 ' HB3' HD12 ' B' ' 50' ' ' LEU . 6.2 mt -86.18 144.44 27.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.477 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.552 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 55.1 mt -135.96 130.84 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.783 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.441 ' HB3' HD21 ' B' ' 50' ' ' LEU . 70.2 t80 -142.32 130.52 22.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.39 19.44 7.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.16 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.0 25.76 39.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.57 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -128.27 144.83 51.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.22 108.83 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.265 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' B' ' 43' ' ' LEU . 23.9 mt -64.86 99.51 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.119 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.32 146.28 29.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.46 129.76 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.782 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.43 -22.45 11.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.57 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -91.69 160.41 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 30.4 p -83.95 165.0 19.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.12 -32.89 74.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.6 p -66.79 -21.62 66.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.19 -6.93 26.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.482 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.9 m-85 -126.88 11.38 7.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.12 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 58.51 25.66 13.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.232 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.482 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.5 mt -57.2 126.08 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -83.23 171.78 13.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -80.89 141.47 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 58.06 19.9 6.41 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.5 t -71.17 157.09 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.9 m -95.22 121.94 37.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.054 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.78 145.15 39.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.658 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.552 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 19.4 m-70 -95.37 136.02 36.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' B' ' 41' ' ' GLN . 43.0 tp -117.7 118.38 31.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.726 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.613 HG21 HG21 ' A' 1374 ' ' THR . 43.8 t -129.62 148.86 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.409 ' HB3' ' HG2' ' B' ' 40' ' ' GLN . 59.7 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.175 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 56.7 mtmt . . . . . 0 CA--C 1.529 0.162 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 60.2 m -74.24 -34.83 63.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 0.0 110.827 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.68 -30.85 71.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.41 71.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 47.5 t -61.82 -35.71 69.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.046 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -74.73 -37.59 62.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -24.84 61.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 110.337 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.488 HD12 HD11 ' A' 1363 ' ' LEU . 81.1 mt -87.23 -30.12 21.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.272 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1350 ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' 1354 ' ' PHE . 47.5 t -66.92 -11.25 55.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.067 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.53 15.22 56.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.705 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1352 ' ' MET . . . . . 0.47 ' HA ' ' NE2' ' B' ' 68' ' ' HIS . 70.4 mtp -102.02 -43.13 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.57 0.224 . . . . 0.0 111.189 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1353 ' ' GLY . . . . . 0.409 ' H ' ' H ' ' A' 1354 ' ' PHE . . . 161.9 6.95 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.849 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1354 ' ' PHE . . . . . 0.444 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -133.6 151.58 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.7 p -62.98 174.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.491 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.74 -27.71 63.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.45 -56.2 15.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.654 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1358 ' ' GLU . . . . . 0.452 ' HB3' HD11 ' A' 1377 ' ' LEU . 10.6 mm-40 -54.09 -37.79 64.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -70.88 -36.55 72.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -62.68 -56.74 14.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -58.85 -48.55 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.32 64.0 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.539 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.488 HD11 HD12 ' A' 1349 ' ' LEU . 11.1 mt -57.87 -59.23 5.56 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.415 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -46.04 -64.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.041 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -50.71 -52.74 37.43 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 124.173 0.92 . . . . 0.0 111.765 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.441 ' O ' ' CB ' ' A' 1367 ' ' ASN . 94.1 m -56.09 -14.09 2.43 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' 1366 ' ' CYS . 19.1 t-20 94.48 51.45 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 108.832 179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1368 ' ' TRP . . . . . . . . . . . . . 82.0 m95 40.05 80.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.317 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.617 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 16.3 t70 -148.13 138.42 22.75 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.706 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.9 -75.76 0.07 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -48.8 -38.71 22.81 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -63.33 -42.69 98.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.814 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.15 73.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.718 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.467 ' O ' ' HG ' ' A' 1378 ' ' LEU . 76.3 m -59.54 -51.26 70.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.981 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.553 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.9 t30 -55.95 -28.35 56.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.16 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 20.9 t80 -66.78 -59.76 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.124 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1377 ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' 1358 ' ' GLU . 4.2 mm? -53.49 -19.59 3.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.628 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' 1375 ' ' ASN . 17.1 mt -90.82 -46.65 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.658 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -93.4 -53.03 4.24 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 19.3 p -43.14 -41.14 3.56 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.539 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.104 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptm . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.777 0.323 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -131.75 159.96 36.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.549 ' HB ' HD13 ' B' ' 67' ' ' LEU . 38.8 pt -137.32 154.32 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.988 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -111.55 95.2 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 73.4 t -68.66 131.93 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -121.83 101.91 7.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.491 HG22 ' HB3' ' B' ' 69' ' ' LEU . 72.3 p -84.35 152.71 23.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.402 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.66 -17.89 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -75.51 -4.21 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.735 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.82 49.37 4.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.437 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 39.1 ttmt -128.46 133.37 48.5 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 111.102 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.8 m -107.83 98.16 7.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.502 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 13.7 mt -96.13 113.18 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.602 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 38.4 m -90.24 123.2 33.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.583 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.5 tp -121.6 145.68 47.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.357 . . . . 0.0 111.355 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -113.76 100.48 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.885 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.7 m -115.45 -174.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.707 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -110.76 175.05 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.4 p -76.2 -32.47 59.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 44.3 t -79.48 -3.47 46.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.01 140.16 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 77.4 p -96.19 170.54 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.38 -48.73 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -51.74 -42.34 62.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.373 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.03 -48.29 82.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -52.81 -45.62 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -56.12 -41.11 74.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.37 . . . . 0.0 110.717 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.1 m -63.74 -50.6 68.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.094 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -53.68 -41.58 67.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -73.52 -28.69 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.958 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -65.27 -42.4 93.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -86.51 -14.69 42.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.126 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.67 -53.29 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -103.65 -65.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.15 6.1 0.68 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.766 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.493 HG22 ' HB3' ' B' ' 41' ' ' GLN . 42.0 mm -64.14 125.79 88.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.596 0.198 . . . . 0.0 110.77 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.504 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 13.2 Cg_endo -56.98 149.07 64.23 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.38 2.054 . . . . 0.0 112.209 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.514 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 90.2 Cg_endo -77.98 -42.5 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.679 2.253 . . . . 0.0 112.983 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -70.58 4.01 2.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.504 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 78.2 mm-40 -121.15 -54.58 2.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.62 ' HB2' HD21 ' B' ' 69' ' ' LEU . 3.6 pt20 -53.18 135.18 38.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.676 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -138.39 120.05 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.714 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.529 ' HB3' HD12 ' B' ' 50' ' ' LEU . 3.5 mt -80.05 135.29 36.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.103 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.419 HD11 HD11 ' A' 1378 ' ' LEU . 32.9 mt -135.95 141.43 41.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 120.921 0.391 . . . . 0.0 111.129 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -156.13 139.94 16.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.756 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.15 14.03 7.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.266 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.58 3.91 77.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.921 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -121.24 141.32 51.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -69.98 131.41 44.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.995 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' B' ' 43' ' ' LEU . 65.7 mt -83.15 99.39 9.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.465 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.93 159.44 7.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.046 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -87.39 145.95 26.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.038 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.22 -42.57 1.86 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -74.16 162.96 28.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 46.1 p -91.97 -177.9 4.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.543 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.461 ' HA ' HD12 ' B' ' 61' ' ' ILE . 54.5 mt -76.21 -33.71 59.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.139 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -68.36 -21.44 64.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.002 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -68.31 -14.95 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.401 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.4 m-85 -120.59 16.99 12.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.328 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.4 m120 58.71 21.6 9.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.367 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' B' ' 56' ' ' LEU . 71.7 mt -59.18 106.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.0 110.973 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -69.84 -173.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.0 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -84.02 149.93 25.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 43.78 29.24 0.28 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.498 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.1 m -68.74 159.62 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.451 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 35.3 m -95.06 107.98 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 111.246 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.549 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.4 mp -101.96 165.25 11.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.498 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.47 ' NE2' ' HA ' ' A' 1352 ' ' MET . 48.5 m-70 -122.32 157.1 32.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.992 0.425 . . . . 0.0 111.209 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' B' ' 41' ' ' GLN . 2.4 tm? -139.05 103.85 4.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.518 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.34 144.44 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.648 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 C--O 1.231 0.127 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 38.9 t -83.46 -29.19 28.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.427 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.93 -46.33 89.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -59.39 -45.61 91.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 42.0 t -62.13 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.279 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.07 -27.57 65.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -81.15 -27.61 35.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.137 0.494 . . . . 0.0 110.029 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.477 HD12 HD11 ' A' 1363 ' ' LEU . 74.6 mt -83.48 -20.75 33.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.011 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 96.3 p -70.34 -26.97 64.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -83.93 -2.01 89.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.306 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.0 mmm -79.32 -61.46 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 171.32 13.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.701 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.18 161.89 35.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.96 0.41 . . . . 0.0 111.215 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.3 p -69.62 175.77 3.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.642 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.69 -26.11 60.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.202 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -59.33 3.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -54.77 -35.99 64.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.3 76.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.0 -53.28 59.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.808 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -62.41 -46.24 89.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.759 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.0 75.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.527 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.477 HD11 HD12 ' A' 1349 ' ' LEU . 12.1 mt -63.62 -59.25 4.86 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.134 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -45.7 -64.25 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.649 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1365 ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' A' 1365 ' ' LYS . 4.1 mmmp? -50.54 -53.94 26.33 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.913 0.758 . . . . 0.0 111.794 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' 1367 ' ' ASN . 1.8 p -58.0 -10.22 1.72 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.459 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' 1366 ' ' CYS . 67.3 m-20 93.83 49.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 O-C-N 124.284 0.99 . . . . 0.0 109.334 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' 1363 ' ' LEU . 79.2 m95 39.28 72.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.434 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.496 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 41.7 m-20 -140.48 142.86 35.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.691 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -77.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.87 -40.46 21.65 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.736 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -61.93 -41.97 98.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.048 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1373 ' ' ALA . . . . . 0.453 ' HB2' HD23 ' A' 1363 ' ' LEU . . . -61.36 -53.27 58.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.797 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.603 HG21 HG21 ' B' ' 70' ' ' VAL . 40.3 m -54.14 -43.18 70.3 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.598 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.8 t30 -64.2 -28.81 70.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.01 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 28.0 t80 -67.65 -39.36 84.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.937 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.34 -23.54 61.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' 1375 ' ' ASN . 26.1 mt -82.12 -63.8 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.181 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.3 -66.82 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.409 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 74.1 m -57.23 171.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.099 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -101.35 144.35 30.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 pt -131.04 151.58 36.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -122.82 101.36 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.154 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.543 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.4 t -87.53 140.02 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.483 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -127.8 133.02 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.413 . . . . 0.0 111.732 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.422 HG22 HD23 ' B' ' 69' ' ' LEU . 56.6 p -101.37 146.89 27.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.21 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.435 HD22 ' H ' ' B' ' 8' ' ' LEU . 2.6 mm? -58.52 -28.15 65.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.693 0.282 . . . . 0.0 111.289 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.9 m -63.56 -27.4 69.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.371 . . . . 0.0 110.716 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.36 59.42 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.303 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -141.58 141.17 33.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.036 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.7 m -104.99 144.56 31.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.543 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 28.9 mt -136.55 104.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.231 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -92.27 119.94 32.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.658 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 tp -127.83 146.76 50.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 111.573 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -101.56 95.66 6.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.239 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.3 m -109.17 -170.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.485 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -132.75 163.28 29.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.668 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.2 t -76.04 -18.05 59.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.114 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.0 t -93.91 3.14 55.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -86.68 166.69 15.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.609 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.412 ' O ' HG23 ' B' ' 26' ' ' VAL . 70.2 p -107.72 171.53 7.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.925 0.393 . . . . 0.0 111.345 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.445 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 44.2 mm -69.79 -53.97 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.269 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 15.8 t70 -49.25 -32.81 11.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.58 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -70.48 -41.35 72.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 22' ' ' THR . 90.5 t -61.88 -40.8 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.525 ' HE3' ' HG ' ' B' ' 43' ' ' LEU . 1.8 mmmm -58.39 -45.16 88.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.681 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -63.04 -46.88 85.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.663 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -55.28 -38.49 68.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.835 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.55 -31.52 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -66.82 -37.81 85.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.29 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -82.16 -18.21 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.948 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -85.37 -66.91 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.58 -71.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.009 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.08 26.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.798 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.0 mm -89.76 130.88 41.4 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.493 0.147 . . . . 0.0 110.627 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.5 Cg_endo -63.66 135.97 51.58 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.394 2.062 . . . . 0.0 112.39 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.523 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 7.4 Cg_exo -72.54 -33.15 8.93 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.785 2.324 . . . . 0.0 112.429 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.03 -6.16 21.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.249 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -117.34 -60.87 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.147 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.0 pt20 -50.74 143.26 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.746 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -138.68 125.0 20.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.337 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.525 ' HG ' ' HE3' ' B' ' 27' ' ' LYS . 22.7 mt -79.4 131.51 36.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.169 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.484 HD11 HD11 ' A' 1378 ' ' LEU . 54.6 mt -133.28 144.89 34.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.998 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -157.72 140.79 15.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.89 19.31 10.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.331 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.04 1.61 89.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.556 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -119.06 134.54 55.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.734 0.302 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.421 ' HB2' HD22 ' A' 1378 ' ' LEU . 28.1 tt0 -72.5 147.09 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.659 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -98.65 122.07 41.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.077 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.69 151.22 34.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.454 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 17.4 m-20 -84.65 15.93 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.358 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.92 1.86 21.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.693 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -132.58 170.88 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.5 p -89.94 -175.33 4.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.606 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.3 mt -78.07 -31.87 50.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.257 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 61.3 m -70.52 -24.68 62.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.611 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.9 -19.45 65.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.23 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -115.03 9.1 15.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.012 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 57.95 91.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -129.54 113.65 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.822 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -77.13 -179.53 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -79.67 152.47 29.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 58.65 19.69 7.01 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 79.8 p -63.82 159.39 19.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -107.08 105.16 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -91.36 156.27 17.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.666 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -112.82 145.81 39.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' B' ' 41' ' ' GLN . 10.1 tp -119.87 108.95 14.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.425 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.603 HG21 HG21 ' A' 1374 ' ' THR . 19.3 t -117.32 134.67 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.902 0.382 . . . . 0.0 111.468 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.427 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.7 mm? . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 53.5 mtpt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.974 0.416 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 38.8 t -83.49 -35.46 24.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.053 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 48.1 mt -57.4 -45.57 84.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.212 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.02 78.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.946 0.403 . . . . 0.0 110.939 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.2 t -57.32 -43.82 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.294 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -64.25 -48.9 73.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -26.2 66.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.851 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.444 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 76.8 mt -86.59 -29.68 22.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 48.0 t -67.15 -10.22 47.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -107.68 36.03 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.838 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 42.8 ttm -124.85 -37.39 2.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.31 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 159.85 14.38 0.04 OUTLIER Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.817 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1354 ' ' PHE . . . . . 0.444 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -144.51 164.8 29.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 111.088 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 69.9 p -82.33 179.83 7.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.677 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -70.41 -29.24 65.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.54 -57.49 9.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -54.46 -42.13 70.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.45 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.96 -30.69 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -64.24 -51.79 61.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.738 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -63.31 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.4 -52.19 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.237 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' 1368 ' ' TRP . 14.7 mt -59.79 -60.17 4.26 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.498 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -45.5 -64.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.192 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1365 ' ' LYS . . . . . 0.41 ' C ' ' H ' ' A' 1367 ' ' ASN . 67.0 mttm -51.95 -52.35 50.82 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.9 0.75 . . . . 0.0 111.533 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.518 ' O ' ' HB2' ' A' 1367 ' ' ASN . 94.5 m -61.3 -6.39 2.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.593 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' 1366 ' ' CYS . 48.7 m-80 90.77 53.98 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.259 0.975 . . . . 0.0 109.342 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' 1363 ' ' LEU . 80.3 m95 40.98 37.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.935 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.46 ' O ' HD23 ' A' 1363 ' ' LEU . 28.3 m-20 -100.63 128.96 46.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.273 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.71 -71.58 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1371 ' ' GLU . . . . . 0.404 ' OE1' ' HB3' ' A' 1369 ' ' ASP . 0.0 OUTLIER -47.85 -38.45 16.11 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.61 0.243 . . . . 0.0 111.329 -179.02 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.438 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -65.7 -42.18 91.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.045 0.45 . . . . 0.0 110.308 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1373 ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -60.36 -46.65 89.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.347 179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.529 HG21 HG21 ' B' ' 70' ' ' VAL . 38.0 m -58.12 -49.02 78.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.476 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.2 t30 -58.99 -26.58 64.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.074 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.485 ' HA ' ' HB2' ' A' 1380 ' ' SER . 32.1 t80 -70.22 -42.52 72.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.966 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.12 -18.74 62.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.146 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.591 HD22 ' HB2' ' B' ' 49' ' ' GLN . 47.8 mt -87.36 -62.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.816 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -93.42 -58.14 2.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.485 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 61.5 m -54.67 -11.66 0.62 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.876 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.048 179.695 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.505 ' HG3' ' HG3' ' B' ' 63' ' ' LYS . 27.2 ttt . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -122.1 163.38 19.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -137.49 145.97 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.75 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.95 96.7 6.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.375 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 69.7 t -74.55 128.56 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.614 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -105.12 95.08 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.624 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.588 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 45.4 p -75.29 143.39 42.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.683 0.278 . . . . 0.0 110.3 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.429 HD11 HG22 ' B' ' 70' ' ' VAL . 87.4 mt -67.71 -7.61 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.024 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.4 p -85.06 -4.11 59.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.54 45.27 5.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.336 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' B' ' 12' ' ' THR . 7.2 tmtm? -137.35 127.92 26.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.012 0.434 . . . . 0.0 110.969 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.452 ' N ' ' HD3' ' B' ' 11' ' ' LYS . 70.2 m -101.08 107.12 18.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.635 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 55.9 mt -94.87 119.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.476 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -99.0 112.92 24.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.373 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -118.94 142.63 47.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.756 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -96.27 105.89 18.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.946 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 22.8 m -123.73 -176.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.428 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.55 159.01 35.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.665 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -72.62 -2.04 18.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.4 m -95.76 -18.1 20.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.27 141.81 45.31 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 49.7 p -80.71 162.64 24.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.77 -51.0 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -57.38 -35.87 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.288 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -63.07 -39.13 93.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.0 -49.28 83.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.313 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.407 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 2.1 mptm? -52.18 -45.52 65.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.4 t -61.39 -47.67 84.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.2 mtpm? -57.67 -34.37 69.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.12 -40.07 74.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.627 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.2 -37.3 84.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.556 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -80.84 -17.26 51.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -84.88 -68.11 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.39 -74.97 0.51 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.4 31.6 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.108 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.456 HD12 ' N ' ' B' ' 36' ' ' ILE . 4.4 mp -104.27 113.31 65.31 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.811 0.305 . . . . 0.0 110.701 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.409 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 51.1 Cg_exo -53.83 150.26 30.43 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.371 2.047 . . . . 0.0 112.257 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.09 -43.16 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.721 2.281 . . . . 0.0 112.985 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.93 8.38 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.98 0.419 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.691 ' O ' ' HB3' ' B' ' 71' ' ' LEU . 82.5 mm-40 -123.18 -10.64 8.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.999 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.588 ' HB2' HD11 ' B' ' 69' ' ' LEU . 28.1 pt20 -126.87 138.39 53.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.185 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -127.46 131.87 50.11 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.381 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.407 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 33.5 mt -81.43 141.31 34.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.079 0.466 . . . . 0.0 112.033 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.563 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 78.7 mt -132.97 137.33 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.09 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.95 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.509 ' HB2' HD22 ' B' ' 67' ' ' LEU . 72.2 t80 -147.56 129.61 15.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.81 23.26 13.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.208 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.41 16.6 77.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.56 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -122.63 127.76 49.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.591 ' HB2' HD22 ' A' 1378 ' ' LEU . 50.8 tp60 -72.11 125.45 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.789 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.81 104.64 5.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.538 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.73 137.24 55.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.62 123.56 22.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.993 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.83 -42.03 1.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.79 178.94 8.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 110.765 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 55.5 p -101.54 -176.27 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 mt -80.67 -11.86 59.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.05 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -81.14 -23.56 38.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.452 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.2 -6.46 34.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.71 0.29 . . . . 0.0 111.41 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.427 ' HB2' HG13 ' B' ' 61' ' ' ILE . 87.5 m-85 -128.02 13.8 6.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 57.61 19.98 5.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.451 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.427 HG13 ' HB2' ' B' ' 59' ' ' TYR . 72.5 mt -59.69 104.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.847 0.356 . . . . 0.0 110.598 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -84.18 -164.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.273 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.505 ' HG3' ' HG3' ' B' ' 1' ' ' MET . 1.5 mptm? -82.07 149.98 27.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 58.82 17.66 5.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.338 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -63.78 134.55 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 93.5 m -86.35 104.96 16.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' B' ' 45' ' ' PHE . 29.0 mt -95.86 172.1 8.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.484 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.563 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 45.7 m80 -124.99 157.3 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.796 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.588 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 1.2 tm? -123.29 108.02 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.928 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.549 ' O ' ' HB2' ' B' ' 71' ' ' LEU . 39.6 t -142.96 139.97 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.691 ' HB3' ' O ' ' B' ' 40' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.392 0 O-C-N 123.862 0.726 . . . . 0.0 109.835 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1342 ' ' LYS . . . . . 0.541 ' O ' HG23 ' A' 1346 ' ' VAL . 59.5 mttp . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.686 0.279 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 63.6 m -64.64 -42.04 95.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.379 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 75.8 mt -54.91 -38.01 67.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -69.48 -41.09 76.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1346 ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' 1356 ' ' GLU . 0.7 OUTLIER -66.03 -32.89 60.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.405 -179.306 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -70.67 -47.28 60.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.306 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.86 -42.03 78.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.389 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1349 ' ' LEU . . . . . 0.475 HD12 HD11 ' A' 1363 ' ' LEU . 79.1 mt -71.12 -20.34 62.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.962 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1350 ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' 1354 ' ' PHE . 35.9 t -77.53 -10.82 59.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.632 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -96.22 -0.95 61.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 25.9 mtt -92.95 -75.83 0.48 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.756 0.313 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -163.99 8.7 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1354 ' ' PHE . . . . . 0.503 ' HB2' ' HB2' ' A' 1358 ' ' GLU . 0.3 OUTLIER -138.28 126.24 22.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.874 0.369 . . . . 0.0 110.898 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.8 p -59.42 178.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.264 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1356 ' ' GLU . . . . . 0.725 ' HA ' HG12 ' A' 1346 ' ' VAL . 1.1 mp0 -62.72 -16.0 55.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.531 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.95 -63.81 1.1 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.024 0.44 . . . . 0.0 110.236 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1358 ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' 1354 ' ' PHE . 40.7 mt-10 -56.17 -32.21 64.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.906 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1359 ' ' ALA . . . . . 0.406 ' O ' HD12 ' A' 1363 ' ' LEU . . . -74.52 -36.31 63.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.048 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -57.11 -45.34 83.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.062 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -69.95 -51.28 34.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.89 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -52.35 -57.68 9.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.212 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1363 ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' 1368 ' ' TRP . 8.7 mt -58.79 -59.58 5.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.581 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -45.57 -64.59 0.7 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.345 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 65.7 tttm -50.65 -52.09 42.97 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 123.992 0.807 . . . . 0.0 111.542 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1366 ' ' CYS . . . . . 0.533 ' SG ' ' HB1' ' A' 1372 ' ' ALA . 4.7 t -61.91 -10.05 8.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.481 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1367 ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' 1366 ' ' CYS . 21.9 t-20 95.05 52.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.301 1.0 . . . . 0.0 109.166 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1368 ' ' TRP . . . . . 0.579 ' HZ3' HG22 ' A' 1346 ' ' VAL . 82.0 m95 36.24 80.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.485 -1.234 . . . . 0.0 112.015 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1369 ' ' ASP . . . . . 0.505 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 39.6 m-20 -142.28 120.43 12.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.223 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1370 ' ' LEU . . . . . 0.679 HD11 HD22 ' B' ' 8' ' ' LEU . 3.1 tm? -52.01 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1371 ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -49.89 -47.25 52.11 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1372 ' ' ALA . . . . . 0.533 ' HB1' ' SG ' ' A' 1366 ' ' CYS . . . -57.9 -40.54 80.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 0.0 111.027 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1373 ' ' ALA . . . . . 0.424 ' HB3' HD11 ' A' 1349 ' ' LEU . . . -65.45 -41.98 92.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.954 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1374 ' ' THR . . . . . 0.649 ' HB ' HG21 ' B' ' 70' ' ' VAL . 41.7 m -55.08 -45.67 75.4 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1375 ' ' ASN . . . . . 0.579 ' HA ' HD12 ' A' 1378 ' ' LEU . 0.4 OUTLIER -65.89 -27.65 68.36 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.823 178.576 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1376 ' ' PHE . . . . . 0.429 ' HA ' ' HB2' ' A' 1380 ' ' SER . 33.3 t80 -65.16 -37.34 87.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.117 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.1 -27.57 57.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1378 ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' 1375 ' ' ASN . 26.9 mt -76.97 -57.96 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -93.07 -66.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.48 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1380 ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 29.1 m -55.21 171.15 0.17 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.88 0.372 . . . . 0.0 111.346 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.114 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.794 0.331 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -121.76 139.92 52.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.216 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.4 pt -113.15 152.39 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -117.42 99.54 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.381 . . . . 0.0 111.33 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 75.1 t -76.57 140.06 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.672 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -107.62 110.67 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.171 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.4 p -82.67 156.3 23.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.624 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.679 HD22 HD11 ' A' 1370 ' ' LEU . 88.5 mt -79.31 2.03 22.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -97.37 -10.98 24.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.922 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.59 46.0 2.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.56 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -136.1 145.19 45.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.942 0.401 . . . . 0.0 111.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 93.1 m -108.02 106.37 16.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.793 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.559 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 76.3 mt -85.82 120.43 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.244 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -102.68 113.49 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.75 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' B' ' 13' ' ' ILE . 96.8 mt -122.5 137.32 54.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.301 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.73 102.05 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.254 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -110.96 -172.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.36 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -126.24 173.62 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 65.7 m -76.15 -5.99 49.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -111.63 -6.21 14.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.126 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.16 148.42 40.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.019 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 42.0 p -107.11 162.19 14.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -57.64 -49.4 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -51.45 -32.75 28.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.629 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -70.72 -46.66 62.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 111.051 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.4 t -52.19 -50.57 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.422 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.599 ' HB3' HE21 ' B' ' 41' ' ' GLN . 4.4 mmmm -51.66 -44.83 63.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.632 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -59.5 -45.37 91.89 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.27 -38.43 80.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.13 -43.75 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -62.52 -36.6 83.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.438 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -79.95 -10.65 59.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.174 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.538 ' HG2' HG23 ' B' ' 13' ' ' ILE . 57.8 tptt -90.11 -68.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.39 -70.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.784 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.85 37.0 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.757 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.543 HD12 ' N ' ' B' ' 36' ' ' ILE . 3.5 mp -85.76 130.25 51.5 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.5 115.06 2.21 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.679 2.252 . . . . 0.0 112.919 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.546 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 27.9 Cg_exo -63.05 -21.55 73.03 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.775 2.317 . . . . 0.0 112.646 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.13 -3.7 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.43 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -125.9 -49.99 1.59 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.649 0.261 . . . . 0.0 111.295 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.599 HE21 ' HB3' ' B' ' 27' ' ' LYS . 10.9 pt20 -56.22 143.05 35.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.06 0.457 . . . . 0.0 111.613 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -140.19 132.19 27.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.207 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.52 HD23 ' HE3' ' B' ' 27' ' ' LYS . 0.2 OUTLIER -78.2 140.05 38.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.689 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.461 HD13 HD21 ' A' 1378 ' ' LEU . 52.6 mt -135.65 143.72 35.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.321 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.4 ' HB3' HD21 ' B' ' 50' ' ' LEU . 61.9 t80 -152.16 125.51 8.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.395 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 19.24 9.95 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.317 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.37 3.9 71.6 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.606 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -101.02 130.39 47.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.34 . . . . 0.0 111.034 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.473 ' HB2' HD22 ' A' 1378 ' ' LEU . 0.2 OUTLIER -75.7 98.68 4.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.44 179.775 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.494 ' HB2' ' HB3' ' B' ' 43' ' ' LEU . 26.1 mt -62.47 106.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.85 176.37 6.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.4 162.09 24.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.618 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.89 -42.54 2.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.192 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -77.13 164.38 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.58 -176.42 3.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' B' ' 61' ' ' ILE . 6.9 mp -71.52 -21.42 61.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.842 0.353 . . . . 0.0 111.069 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.1 t -75.14 -22.6 58.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.9 -13.88 59.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.861 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.495 ' HB2' HG13 ' B' ' 61' ' ' ILE . 82.7 m-85 -126.49 5.14 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 57.76 30.14 18.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.495 HG13 ' HB2' ' B' ' 59' ' ' TYR . 60.6 mt -62.16 115.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -86.18 -176.51 5.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 159.4 14.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 59.83 17.47 6.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.808 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.5 m -82.96 166.36 18.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.546 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 70.6 m -113.24 102.51 10.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.045 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 25.1 mt -86.49 -179.65 6.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.331 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -131.34 158.77 39.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.237 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' B' ' 41' ' ' GLN . 17.5 tp -136.28 122.0 19.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.53 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.649 HG21 ' HB ' ' A' 1374 ' ' THR . 14.6 p -130.96 148.03 33.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.918 0.389 . . . . 0.0 111.538 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 121.074 0.464 . . . . 0.0 111.333 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.952 0.406 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.711 HG23 ' HB3' ' A' 1343 ' ' SER . 0.0 OUTLIER -55.65 137.86 70.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.655 178.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -62.92 -49.42 5.15 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.419 2.08 . . . . 0.0 112.643 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -49.11 -48.7 44.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.617 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1343 ' ' SER . . . . . 0.711 ' HB3' HG23 ' A' 1340 ' ' THR . 37.6 t -79.1 -31.06 44.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 111.195 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.88 -42.29 89.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.96 74.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.774 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 41.6 t -60.7 -32.26 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.188 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -68.92 -50.17 51.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.052 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.07 -39.07 91.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.918 0.389 . . . . 0.0 110.393 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.438 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 81.9 mt -70.05 -29.18 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.326 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1350 ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' 1354 ' ' PHE . 46.0 t -69.84 -19.27 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.997 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.03 34.95 5.28 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.538 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 77.8 mtp -121.91 -40.47 2.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 162.66 8.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.055 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1354 ' ' PHE . . . . . 0.438 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -141.1 156.02 46.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.349 . . . . 0.0 111.0 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 56.0 p -70.16 175.5 4.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.704 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -73.04 -24.55 60.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -58.61 5.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.512 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -56.27 -40.21 73.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.706 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.01 -33.03 74.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.732 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -64.03 -54.28 36.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -59.81 -47.47 85.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.405 . . . . 0.0 110.757 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.43 -50.99 64.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.365 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' 1368 ' ' TRP . 10.1 mt -59.4 -59.31 5.66 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.523 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -45.34 -64.39 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.163 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -51.14 -50.88 58.04 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 124.05 0.844 . . . . 0.0 111.876 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.572 ' O ' ' HB2' ' A' 1367 ' ' ASN . 96.8 m -63.75 -7.42 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.823 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.572 ' HB2' ' O ' ' A' 1366 ' ' CYS . 4.0 m-20 93.07 52.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.4 1.062 . . . . 0.0 109.311 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' 1363 ' ' LEU . 70.5 m95 44.17 31.28 0.53 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.951 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 16.0 m-20 -93.75 127.59 39.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.783 0.325 . . . . 0.0 110.556 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.7 -64.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.105 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.601 ' HG2' HD13 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -52.38 -41.83 63.47 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.772 0.32 . . . . 0.0 110.853 -179.526 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.525 ' N ' ' HG3' ' A' 1371 ' ' GLU . . . -65.75 -34.25 77.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.432 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -62.71 -53.41 54.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.115 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.614 HG21 HG21 ' B' ' 70' ' ' VAL . 17.0 m -57.22 -41.84 80.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.63 ' HA ' HD12 ' A' 1378 ' ' LEU . 5.1 t30 -61.05 -29.02 69.48 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.913 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' 1380 ' ' SER . 32.7 t80 -69.07 -48.67 62.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.582 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.57 -20.06 65.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' 1375 ' ' ASN . 57.4 mt -81.04 -61.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.399 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -93.34 -64.18 1.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.526 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' 1376 ' ' PHE . 28.0 m -48.46 129.88 16.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.461 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.091 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.719 0.295 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -117.17 154.74 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.183 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.458 ' HB ' HD23 ' B' ' 67' ' ' LEU . 44.5 pt -124.31 144.47 34.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.877 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -107.29 100.07 9.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.37 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 55.7 t -78.67 142.12 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.523 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -122.54 113.26 19.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.458 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.453 HG21 ' HZ3' ' B' ' 11' ' ' LYS . 61.4 p -83.37 154.5 24.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.87 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 66.7 mt -81.66 16.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 0.0 111.211 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 7.8 m -111.54 -11.47 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.796 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.16 33.23 4.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.414 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.558 ' HE3' ' HG2' ' B' ' 34' ' ' GLU . 8.0 ttpm? -121.27 134.98 55.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.977 0.418 . . . . 0.0 111.209 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 42.7 m -105.0 136.08 45.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 78.2 mt -126.23 125.84 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 111.44 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.8 m -106.5 113.24 26.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.375 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.48 147.72 35.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.006 0.431 . . . . 0.0 111.495 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -106.06 112.86 26.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.619 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -125.76 176.49 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 111.416 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -115.18 177.85 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.557 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.8 t -76.39 1.35 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.776 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 86.7 p -120.66 4.78 10.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.009 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.54 165.89 11.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.434 ' O ' HG23 ' B' ' 26' ' ' VAL . 35.3 p -130.2 160.58 33.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.433 HG22 ' HD3' ' B' ' 27' ' ' LYS . 39.9 mm -57.68 -54.02 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -47.24 -37.7 10.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.594 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -68.39 -40.69 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 111.057 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 22' ' ' THR . 12.7 t -58.11 -43.79 86.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.013 0.435 . . . . 0.0 110.938 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.561 ' HB3' HE21 ' B' ' 41' ' ' GLN . 4.6 mmmm -59.44 -47.88 83.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.994 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 98.5 p -59.14 -41.73 89.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.03 -47.24 83.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.51 -39.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.448 ' HB2' ' HG3' ' B' ' 38' ' ' PRO . 6.7 tp60 -59.82 -47.0 87.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.22 -15.76 59.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -77.93 -67.64 0.71 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.558 ' HG2' ' HE3' ' B' ' 11' ' ' LYS . 2.3 mp0 -104.08 -61.94 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.092 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.44 10.38 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.771 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.38 121.35 59.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.565 0.182 . . . . 0.0 110.638 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.447 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 88.6 Cg_exo -47.28 120.35 4.3 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.644 2.23 . . . . 0.0 112.654 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.505 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 20.7 Cg_exo -66.26 -32.17 42.54 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.716 2.278 . . . . 0.0 112.688 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -73.62 -6.29 45.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.328 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.447 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 18.0 mp0 -114.64 -53.71 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.473 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.561 HE21 ' HB3' ' B' ' 27' ' ' LYS . 13.9 pt20 -52.98 142.95 18.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.61 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -140.28 133.83 30.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.513 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.467 ' HB3' HD12 ' B' ' 50' ' ' LEU . 0.3 OUTLIER -80.12 136.28 36.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.561 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 20.3 mt -133.8 147.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.086 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -152.0 125.84 9.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.86 20.61 5.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.69 -26.71 22.05 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.386 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -85.86 126.34 33.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.498 ' HB2' HD22 ' A' 1378 ' ' LEU . 30.0 tt0 -72.87 128.61 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.936 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' B' ' 43' ' ' LEU . 52.5 mt -73.32 107.52 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.24 129.9 41.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.32 138.35 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.44 -48.15 0.97 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.659 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -70.24 166.67 19.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.872 0.367 . . . . 0.0 111.207 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 66.5 p -91.02 -173.31 3.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.288 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' B' ' 61' ' ' ILE . 41.7 mt -86.76 -16.96 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -79.61 -21.83 44.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.15 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -72.55 -14.78 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.304 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.543 ' HB2' HG13 ' B' ' 61' ' ' ILE . 78.3 m-85 -118.33 13.34 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 64.2 t30 57.27 22.51 7.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.543 HG13 ' HB2' ' B' ' 59' ' ' TYR . 90.7 mt -56.61 106.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.928 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -74.65 -167.52 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.218 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.482 ' N ' ' HD3' ' B' ' 63' ' ' LYS . 3.6 mppt? -88.6 147.16 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.981 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 56.94 23.05 7.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -60.77 148.4 39.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.01 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.5 m -89.36 96.3 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.931 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.458 HD23 ' HB ' ' B' ' 3' ' ' ILE . 4.0 mm? -90.73 155.63 18.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.082 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.561 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 24.8 m-70 -120.14 151.86 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' B' ' 41' ' ' GLN . 14.8 tp -129.94 106.61 8.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.772 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' 1374 ' ' THR . 60.5 t -119.67 137.95 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.229 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.57 158.58 33.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.047 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -73.29 -29.92 63.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.602 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.601 HD13 ' HG2' ' A' 1371 ' ' GLU . 7.1 tp 64.61 163.19 0.13 Allowed 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.148 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -120.55 131.77 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.792 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.94 19.73 0.97 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.508 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.752 0.311 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' 1341 ' ' PRO . 5.1 t -86.97 144.62 36.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.365 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1341 ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' 1340 ' ' THR . 14.8 Cg_exo -71.36 -28.73 17.79 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.751 2.3 . . . . 0.0 112.046 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 59.6 mttp -61.87 -28.99 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.706 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 89.1 p -83.83 -46.05 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.758 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 91.5 mt -56.7 -32.92 65.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1345 ' ' ALA . . . . . 0.433 ' O ' ' HG ' ' A' 1349 ' ' LEU . . . -66.83 -51.14 59.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.722 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 57.1 t -63.69 -32.4 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.12 -52.54 16.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.11 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -39.38 78.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.308 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' 1345 ' ' ALA . 52.1 mt -68.53 -34.3 75.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.2 t -63.25 -24.14 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -98.88 40.21 2.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 69.0 mtp -129.26 -43.14 1.31 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.745 0.307 . . . . 0.0 111.041 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 165.85 5.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.711 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.83 165.79 24.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 81.5 p -80.02 179.8 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.17 -36.72 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -61.67 -60.42 3.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -50.75 -33.78 24.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.631 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1359 ' ' ALA . . . . . 0.403 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -70.34 -40.26 74.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.742 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -61.9 -50.84 70.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -61.69 -44.96 95.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.51 45.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.301 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' 1369 ' ' ASP . 11.9 mt -56.33 -58.69 6.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.242 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.18 -64.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.853 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -50.6 -53.94 26.64 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.928 0.768 . . . . 0.0 111.685 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.538 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 97.8 m -58.77 -9.95 2.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.573 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' 1366 ' ' CYS . 64.9 m-20 93.16 53.03 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.309 1.006 . . . . 0.0 109.17 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.3 m95 39.35 81.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.724 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 24.4 t70 -155.9 134.83 11.98 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.448 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1370 ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' 1370 ' ' LEU . 9.2 mt -62.66 -74.77 0.09 Allowed 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -46.17 -36.64 6.17 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.672 0.272 . . . . 0.0 111.528 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' 1366 ' ' CYS . . . -67.36 -42.97 82.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.866 0.365 . . . . 0.0 110.435 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1373 ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -65.15 -52.74 53.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.637 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.485 ' O ' ' HG ' ' A' 1378 ' ' LEU . 50.2 m -54.43 -50.06 68.52 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.694 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.0 t30 -57.71 -31.15 66.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.071 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.508 ' O ' ' HB3' ' A' 1380 ' ' SER . 46.5 t80 -66.48 -53.97 29.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.302 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.1 -25.37 4.99 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.901 0.382 . . . . 0.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' 1375 ' ' ASN . 28.7 mt -76.09 -52.28 10.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.462 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 13.9 t70 -94.12 -68.06 0.82 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.676 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.508 ' HB3' ' O ' ' A' 1376 ' ' PHE . 52.7 p 33.53 83.44 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.117 0.567 . . . . 0.0 111.867 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.155 -179.867 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 14.7 tpt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -126.21 144.44 50.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 pt -130.42 164.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.746 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -123.02 102.33 7.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 111.193 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.05 125.72 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.634 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -123.64 135.74 54.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 111.625 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.8 p -96.59 159.09 15.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.583 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.572 HD21 HG22 ' B' ' 70' ' ' VAL . 3.8 mm? -65.82 -21.31 66.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.755 0.312 . . . . 0.0 111.2 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -72.39 -3.55 24.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.081 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.54 58.98 2.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.411 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -139.37 124.62 19.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -96.41 140.9 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 21.8 mt -136.93 139.89 43.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.255 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.2 m -110.32 129.88 55.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -131.04 147.11 52.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 111.343 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -109.63 96.2 6.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.054 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.459 ' O ' ' HB3' ' B' ' 1' ' ' MET . 33.6 m -108.11 -162.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.375 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 42.6 mt-10 -124.36 154.29 40.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p -69.01 -21.28 64.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 85.5 p -104.22 2.58 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.448 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 17.8 t70 -67.73 153.93 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 26' ' ' VAL . 67.8 p -84.23 177.59 8.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.284 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -80.27 -54.08 11.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -55.22 -37.93 67.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.321 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -56.75 -40.86 76.55 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.111 0.481 . . . . 0.0 110.204 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 22' ' ' THR . 61.4 t -62.85 -36.2 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.413 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.533 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 33.7 mmtp -59.86 -42.46 93.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.23 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -64.64 -45.99 84.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.367 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -55.44 -39.92 70.89 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.644 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.2 mt -69.68 -37.62 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.793 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -57.67 -50.49 73.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.17 -23.22 63.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -64.19 0.93 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -102.77 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.44 0.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.695 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.424 HG22 ' HB3' ' B' ' 41' ' ' GLN . 35.2 mm -58.51 130.86 85.05 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.0 Cg_endo -58.76 139.22 89.85 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.406 2.071 . . . . 0.0 112.487 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.516 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 5.0 Cg_exo -77.72 -32.37 2.78 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.875 2.384 . . . . 0.0 112.438 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -76.42 8.23 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.588 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -134.33 -47.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.154 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.4 pt20 -57.82 145.43 35.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.997 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.436 ' NH1' HE22 ' B' ' 49' ' ' GLN . 97.1 mtt180 -142.46 142.74 32.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.601 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.533 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 80.5 mt -97.94 129.46 44.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.409 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.609 HD11 HD11 ' A' 1378 ' ' LEU . 66.0 mt -121.01 137.44 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -140.44 129.7 23.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.03 15.12 4.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.263 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.63 -21.41 45.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.714 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -90.33 132.07 35.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 111.083 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.436 HE22 ' NH1' ' B' ' 42' ' ' ARG . 29.3 tt0 -78.44 131.88 37.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.18 130.84 35.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -89.37 143.51 26.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.17 148.0 49.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.62 -28.86 13.52 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.594 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -87.71 -179.54 6.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 60.5 p -112.07 -174.52 2.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.9 mt -81.66 -15.29 55.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.143 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.1 p -81.32 -28.78 34.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.542 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -70.45 -4.54 23.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.533 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -131.11 2.03 4.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.971 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 m120 56.4 89.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.942 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.9 mt -123.41 115.42 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -73.94 179.12 4.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.426 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -77.59 152.2 34.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 55.65 24.13 6.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.01 0.433 . . . . 0.0 110.654 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.9 p -59.8 160.51 7.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.092 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 40.8 m -107.64 104.37 13.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.421 ' HB3' HD22 ' B' ' 43' ' ' LEU . 4.6 mm? -98.0 147.07 24.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -108.12 137.74 45.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' B' ' 41' ' ' GLN . 14.3 tp -107.92 114.24 28.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.389 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.572 HG22 HD21 ' B' ' 8' ' ' LEU . 38.3 t -122.86 148.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 111.353 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 tp -82.47 136.79 34.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -68.2 -37.3 80.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.183 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 49.8 mt 60.13 -177.32 0.1 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.963 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 59.13 96.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.54 27.53 7.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.541 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.558 179.891 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.902 0.382 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.414 HG23 ' H ' ' A' 1340 ' ' THR . 0.1 OUTLIER -81.38 161.66 61.36 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.215 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.08 -26.57 36.71 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.071 1.848 . . . . 0.0 112.426 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -89.48 -28.72 19.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.3 t -83.63 -42.46 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.72 -27.65 69.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -69.57 -50.7 42.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 45.9 t -62.64 -35.83 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.36 -46.37 73.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.768 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -30.82 71.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.485 HD12 HD11 ' A' 1363 ' ' LEU . 79.4 mt -80.49 -23.98 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.004 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 43.8 t -69.08 -25.24 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -86.52 -4.04 83.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.242 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 84.0 mmm -74.61 -67.59 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 179.52 16.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.695 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1354 ' ' PHE . . . . . 0.403 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -139.09 168.35 20.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.6 p -75.04 174.08 9.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.499 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -73.22 -24.82 60.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.76 -53.89 19.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -58.26 -36.64 73.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.62 68.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.783 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -61.41 -49.14 78.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -66.19 -42.13 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.772 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.57 75.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.449 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.51 ' HA ' ' HB2' ' A' 1373 ' ' ALA . 6.5 mt -63.37 -59.43 4.7 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.916 0.388 . . . . 0.0 110.949 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -45.34 -63.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.804 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 51.5 tptt -51.27 -53.03 39.45 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.853 0.721 . . . . 0.0 111.773 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' A' 1367 ' ' ASN . 4.9 p -61.32 -8.56 3.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.516 0.198 . . . . 0.0 110.505 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' 1366 ' ' CYS . 7.4 t30 95.03 52.83 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.275 0.984 . . . . 0.0 109.358 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.493 ' N ' ' O ' ' A' 1363 ' ' LEU . 80.1 m95 37.07 72.21 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.965 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.462 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 40.5 m-20 -138.78 124.55 19.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.81 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1370 ' ' LEU . . . . . 0.552 ' HG ' HD21 ' B' ' 8' ' ' LEU . 20.7 tp -53.62 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -40.61 18.13 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.576 ' HA ' ' OD1' ' A' 1375 ' ' ASN . . . -59.95 -47.76 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 0.0 111.093 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1373 ' ' ALA . . . . . 0.51 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -63.68 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.615 HG21 HG21 ' B' ' 70' ' ' VAL . 10.6 m -57.68 -54.36 47.79 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.016 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.635 ' HA ' HD12 ' A' 1378 ' ' LEU . 0.7 OUTLIER -64.29 -24.37 67.63 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.088 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' 1373 ' ' ALA . 30.3 t80 -64.23 -38.86 92.55 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1377 ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' 1377 ' ' LEU . 4.2 mm? -74.3 -25.72 59.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.69 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' 1375 ' ' ASN . 36.0 mt -76.61 -60.08 2.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -92.94 -64.98 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.447 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' 1376 ' ' PHE . 28.3 m -55.48 170.11 0.26 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.305 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.165 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.523 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 3.9 ppp? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -109.87 164.81 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.039 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -139.74 155.92 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -114.23 112.7 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.055 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.644 HG12 ' HB2' ' B' ' 69' ' ' LEU . 1.8 t -86.07 109.04 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.646 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -94.18 97.06 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.373 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.541 HG22 HD23 ' B' ' 69' ' ' LEU . 70.5 p -65.07 147.28 53.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.168 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.552 HD21 ' HG ' ' A' 1370 ' ' LEU . 12.2 tp -72.46 5.88 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.954 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 39.2 p -98.96 -24.42 14.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.99 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.7 41.97 0.83 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.694 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -138.49 126.94 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.681 0.277 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.6 m -96.76 138.41 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.467 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.9 mm -120.36 114.46 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.537 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.8 m -87.75 113.61 23.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.276 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 tp -127.09 144.07 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 111.623 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -107.17 120.22 41.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.304 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.42 179.11 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 111.678 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -99.28 175.14 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.75 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.7 p -75.92 -27.17 57.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.8 t -101.13 17.02 23.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.044 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.38 139.26 55.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 74.7 p -87.41 144.66 26.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.508 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.6 mm -56.72 -36.24 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.297 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.452 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 18.5 t70 -63.27 -34.84 78.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.968 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.469 ' ND2' ' HE2' ' B' ' 29' ' ' LYS . 54.1 t30 -72.46 -31.06 65.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.766 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.02 -52.73 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' B' ' 42' ' ' ARG . 2.0 mptm? -56.63 -40.45 75.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -59.17 -46.01 89.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.469 ' HE2' ' ND2' ' B' ' 25' ' ' ASN . 68.2 mttm -60.84 -44.21 97.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.25 -36.79 70.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.415 ' HB2' ' HG3' ' B' ' 38' ' ' PRO . 41.8 tp60 -71.61 -32.47 68.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.842 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -83.35 -4.31 58.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.71 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -104.36 -66.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.39 -75.41 0.49 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.35 26.79 0.05 OUTLIER Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.237 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.463 HD12 ' N ' ' B' ' 36' ' ' ILE . 4.2 mp -82.49 127.98 68.62 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.97 0.385 . . . . 0.0 110.328 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.21 117.72 4.41 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.576 2.184 . . . . 0.0 112.577 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.55 ' HA ' HE21 ' B' ' 41' ' ' GLN . 21.9 Cg_exo -65.27 -28.67 55.4 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.569 2.179 . . . . 0.0 112.44 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.5 -14.72 63.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.259 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.401 ' HB3' ' HB3' ' B' ' 71' ' ' LEU . 12.8 mm100 -111.54 -59.13 2.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.337 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.55 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.4 pt20 -50.9 142.42 11.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.076 0.465 . . . . 0.0 112.161 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.41 ' HA ' ' NZ ' ' B' ' 27' ' ' LYS . 80.3 mtp180 -142.38 135.87 29.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.361 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.403 HD23 ' HE2' ' B' ' 27' ' ' LYS . 1.9 mm? -78.82 144.01 35.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.209 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.537 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 87.7 mt -137.17 125.88 34.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.378 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.447 ' HB3' HD21 ' B' ' 50' ' ' LEU . 80.0 t80 -134.83 137.92 43.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.01 19.84 7.63 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.293 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.11 -17.8 44.62 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.31 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -93.02 138.97 31.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.665 0.269 . . . . 0.0 110.776 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' B' ' 42' ' ' ARG . 21.0 tm0? -69.14 147.9 50.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.917 0.389 . . . . 0.0 111.292 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' B' ' 45' ' ' PHE . 3.6 mm? -101.19 101.41 12.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.922 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.26 151.56 44.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.923 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.508 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 6.0 m-20 -76.46 166.15 23.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.74 -52.45 2.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.548 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -75.57 170.59 15.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.012 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.9 p -103.61 -178.4 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 26.8 mt -71.16 -11.96 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -81.01 -30.68 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.04 -6.12 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.252 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -131.72 -1.43 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.967 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 51.1 t30 57.58 93.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.019 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.2 mt -125.52 126.27 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.801 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -74.01 -174.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.334 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.523 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 63.1 mmtt -88.18 142.72 27.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.0 20.93 5.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.261 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.0 m -59.74 149.72 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -100.05 97.92 8.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.443 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.2 mp -90.1 -173.01 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.467 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.537 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 59.4 m-70 -131.83 165.07 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.644 ' HB2' HG12 ' B' ' 5' ' ' VAL . 16.1 tp -135.97 126.1 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.203 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' 1374 ' ' THR . 59.8 t -137.28 133.15 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.515 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' B' ' 40' ' ' GLN . 8.2 mp -76.26 158.04 31.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.074 0.464 . . . . 0.0 111.237 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -55.19 -48.19 74.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 19.8 tp 61.8 109.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.011 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -151.73 127.18 10.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.64 2.05 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.561 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.452 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.883 0.373 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 2.6 t -133.03 144.4 52.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.15 -39.49 90.25 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.837 2.358 . . . . 0.0 112.663 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -59.36 -29.5 67.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.1 t -84.06 -42.79 15.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.83 -36.13 76.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.318 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -61.59 -51.7 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.624 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 54.5 t -60.61 -38.05 77.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.64 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.18 -35.2 80.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.193 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1348 ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' 1352 ' ' MET . 11.8 mm-40 -64.93 -55.29 20.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.108 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' 1359 ' ' ALA . 3.4 mp -53.35 -47.24 69.56 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.354 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.3 t -54.96 -28.32 50.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -96.79 34.77 4.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.673 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1352 ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' 1348 ' ' GLU . 73.0 mtp -128.67 -65.66 0.87 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.636 0.255 . . . . 0.0 110.918 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -171.0 14.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.963 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.05 178.64 7.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.796 0.332 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 75.5 p -92.69 176.25 6.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.507 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.42 -32.86 64.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.302 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.61 -62.45 1.73 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.71 0.29 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -53.42 -29.66 36.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.229 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1359 ' ' ALA . . . . . 0.472 ' HA ' HD22 ' A' 1349 ' ' LEU . . . -71.36 -40.04 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.567 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -62.54 -52.48 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -61.79 -42.15 98.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.61 76.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.456 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' 1368 ' ' TRP . 12.3 mt -60.36 -58.89 6.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.92 0.391 . . . . 0.0 111.074 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.5 -64.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.347 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1365 ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' 1367 ' ' ASN . 45.1 mmtm -49.61 -56.29 10.56 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 124.024 0.828 . . . . 0.0 112.035 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' 1367 ' ' ASN . 4.5 p -58.07 -8.94 1.18 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.626 0.251 . . . . 0.0 110.363 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' 1366 ' ' CYS . 70.0 m-20 91.64 55.54 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 124.301 1.001 . . . . 0.0 109.115 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.475 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.1 m95 36.68 82.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.667 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.653 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 27.5 t70 -152.22 127.79 10.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.093 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1370 ' ' LEU . . . . . 0.544 HD12 ' HG ' ' B' ' 8' ' ' LEU . 3.0 tm? -57.31 -73.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -49.2 -38.37 25.81 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.653 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -66.45 -35.12 79.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -71.91 -52.89 15.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.543 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.522 ' O ' ' HG ' ' A' 1378 ' ' LEU . 94.5 m -52.49 -39.0 60.74 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.519 ' HA ' HD12 ' A' 1378 ' ' LEU . 5.1 t30 -76.02 -27.61 57.43 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.099 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 37.0 t80 -61.22 -36.26 79.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.772 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.89 -20.79 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.742 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' 1374 ' ' THR . 48.7 mt -79.13 -63.77 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -91.06 -62.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.374 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 44.3 m -58.47 170.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.123 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.061 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -123.23 143.02 50.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.525 ' HB ' HD23 ' B' ' 67' ' ' LEU . 2.7 pp -121.94 155.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.537 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 91.4 m-85 -119.99 120.56 36.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 111.443 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' B' ' 69' ' ' LEU . 2.4 t -82.64 145.53 8.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -127.13 100.99 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.662 0.268 . . . . 0.0 111.705 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.55 HG22 HD23 ' B' ' 69' ' ' LEU . 69.7 p -84.8 148.78 26.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.062 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.544 ' HG ' HD12 ' A' 1370 ' ' LEU . 2.3 mm? -65.56 -15.66 62.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.71 0.29 . . . . 0.0 111.036 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 50.6 p -73.4 -10.21 59.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.807 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.08 45.82 3.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.399 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.413 ' HE3' ' OE1' ' B' ' 34' ' ' GLU . 40.2 tttm -129.76 144.09 51.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 111.305 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.0 m -120.97 110.15 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.514 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 12.1 mt -92.63 149.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.3 m -118.67 112.75 20.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.438 HD21 ' HD2' ' B' ' 29' ' ' LYS . 57.5 tp -126.4 138.6 53.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.095 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -102.82 117.88 35.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.588 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -122.55 177.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.334 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -107.76 168.88 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.765 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.7 p -73.0 -13.44 61.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.792 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -108.25 2.96 23.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.73 155.59 29.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 78.9 p -110.55 148.93 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.222 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -57.36 -42.9 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 17.9 t70 -56.16 -32.68 64.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.044 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.499 ' ND2' ' HE3' ' B' ' 29' ' ' LYS . 54.9 t30 -76.3 -37.12 57.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.27 -54.71 24.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.494 ' HE2' HD13 ' B' ' 43' ' ' LEU . 2.1 mptm? -52.53 -43.42 65.14 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 61.7 m -57.9 -44.92 87.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.499 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 99.2 mttt -61.19 -37.88 84.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.93 -35.06 74.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.802 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -71.48 -36.55 71.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.709 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -81.44 -9.9 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.76 -63.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.413 ' OE1' ' HE3' ' B' ' 11' ' ' LYS . 66.0 mm-40 -94.79 -73.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.57 -7.43 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.937 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.476 ' HB ' ' NE2' ' B' ' 41' ' ' GLN . 12.4 mm -60.41 130.37 89.78 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.725 0.262 . . . . 0.0 110.518 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.501 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 72.2 Cg_endo -77.59 131.39 11.4 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.422 2.081 . . . . 0.0 113.013 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.53 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 28.0 Cg_exo -63.58 -25.63 69.64 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.015 2.477 . . . . 0.0 112.823 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.88 -5.06 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.623 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -130.98 -47.86 1.02 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.602 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.53 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 9.3 pt20 -63.65 149.33 46.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.947 0.403 . . . . 0.0 111.431 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -146.18 140.41 26.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.687 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.494 HD13 ' HE2' ' B' ' 27' ' ' LYS . 3.8 mp -92.23 117.19 29.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.788 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.545 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 4.5 mp -106.75 141.55 21.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.445 ' HB3' HD11 ' B' ' 50' ' ' LEU . 43.8 t80 -146.95 128.32 14.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.355 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.94 11.43 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.436 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.93 14.58 48.76 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.262 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -127.59 134.06 49.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.458 ' HB2' HD22 ' A' 1378 ' ' LEU . 0.1 OUTLIER -73.22 120.63 19.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.516 HD21 HD11 ' B' ' 61' ' ' ILE . 9.3 mp -75.42 108.34 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.97 156.15 21.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 4.0 p-10 -82.85 149.8 26.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.18 -14.82 58.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.528 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -87.11 170.8 11.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.5 m -99.81 153.77 18.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.26 -36.58 78.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.263 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -67.58 -23.21 65.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.414 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.63 -20.96 66.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.131 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -114.47 4.03 15.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 56.75 93.02 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.516 HD11 HD21 ' B' ' 50' ' ' LEU . 57.0 mt -127.39 136.3 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -91.52 -172.3 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -84.81 147.37 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.29 22.95 12.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -58.51 160.82 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.3 m -110.86 99.17 8.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.365 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.525 HD23 ' HB ' ' B' ' 3' ' ' ILE . 3.7 mm? -86.42 148.3 25.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.663 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.545 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 75.6 m-70 -108.3 128.14 54.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.55 HD23 HG22 ' B' ' 7' ' ' THR . 13.9 tp -97.87 114.45 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.401 HG21 ' CG2' ' A' 1374 ' ' THR . 42.6 t -127.48 141.21 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.199 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.2 mt -83.69 154.54 23.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -84.97 -24.39 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.243 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.4 HD12 ' N ' ' B' ' 73' ' ' LEU . 7.5 mp 63.42 -83.52 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 60.09 17.67 7.01 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.05 14.97 0.62 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.426 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.515 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.649 0.261 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' 1341 ' ' PRO . 4.8 t -57.37 141.38 78.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.176 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1341 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 1340 ' ' THR . 14.1 Cg_endo -93.41 -66.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.156 2.571 . . . . 0.0 112.97 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -53.79 -52.24 60.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.647 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 43.6 t -60.53 -35.96 77.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.335 . . . . 0.0 110.738 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1344 ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' 1341 ' ' PRO . 54.0 tp -59.27 -37.0 76.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.861 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1345 ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' 1349 ' ' LEU . . . -60.95 -47.77 84.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.948 0.404 . . . . 0.0 110.425 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 41.2 t -67.99 -31.85 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.96 -38.24 76.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.34 -40.92 64.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.681 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' 1345 ' ' ALA . 81.6 mt -67.11 -40.22 86.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 45.2 t -64.17 -15.18 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.284 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.93 15.93 54.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.617 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.1 mtp -102.52 -56.33 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.712 0.291 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -176.25 7.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.675 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.17 177.08 8.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.076 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 80.4 p -87.92 177.01 7.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.358 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.3 -27.07 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.68 -60.76 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -53.31 -35.39 60.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.717 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -71.58 -34.53 70.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.791 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -63.44 -50.09 71.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.653 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -65.62 -45.65 82.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.71 71.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.367 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' 1368 ' ' TRP . 13.7 mt -64.12 -59.6 4.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.439 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -46.36 -64.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 24.4 tptm -50.21 -54.94 17.51 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 124.09 0.869 . . . . 0.0 111.983 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' 1367 ' ' ASN . 3.7 p -57.85 -11.86 2.65 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' 1366 ' ' CYS . 44.9 t-20 96.25 54.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.369 1.043 . . . . 0.0 109.585 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' 1363 ' ' LEU . 71.7 m95 39.51 59.34 1.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.886 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.524 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 32.4 m-20 -128.54 128.55 44.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.949 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.22 -69.89 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.449 ' HG3' HD21 ' B' ' 73' ' ' LEU . 0.1 OUTLIER -52.01 -41.94 62.61 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.046 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -64.71 -34.14 77.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.769 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1373 ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -64.25 -53.49 48.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.726 ' HB ' HG21 ' B' ' 70' ' ' VAL . 90.6 m -55.33 -51.31 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.577 ' HA ' HD12 ' A' 1378 ' ' LEU . 4.9 t30 -57.84 -28.48 64.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.431 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.489 ' HA ' ' HB2' ' A' 1380 ' ' SER . 51.4 t80 -70.39 -37.73 74.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.998 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 80.0 mt -76.37 -25.85 55.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.845 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.577 HD12 ' HA ' ' A' 1375 ' ' ASN . 45.2 mt -76.54 -61.36 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -92.05 -65.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.372 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.489 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 5.2 m -53.63 167.19 0.25 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.111 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.615 ' HB3' ' HE3' ' B' ' 63' ' ' LYS . 5.6 ppp? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.716 0.293 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 13.3 pt20 -130.88 161.11 32.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.415 . . . . 0.0 111.278 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -137.72 163.17 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.736 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -127.99 110.3 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.238 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 73.5 t -82.46 132.26 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.649 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -103.55 101.05 10.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.781 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.802 HG22 HD13 ' B' ' 69' ' ' LEU . 54.6 p -79.97 139.77 36.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.421 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.733 HD11 HG23 ' B' ' 70' ' ' VAL . 96.0 mt -63.67 -12.03 30.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.299 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -79.38 -23.76 43.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.79 46.73 0.88 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -138.99 149.39 44.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 111.072 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.7 m -119.41 115.43 24.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.613 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.489 HG22 ' HG ' ' B' ' 15' ' ' LEU . 63.3 mt -95.66 122.97 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.601 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -95.83 115.27 27.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.485 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.489 ' HG ' HG22 ' B' ' 13' ' ' ILE . 61.6 mt -128.9 127.37 41.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.498 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 40.7 tt0 -99.69 113.58 26.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.32 -168.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.455 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.74 159.29 19.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 55.8 m -72.72 -22.36 60.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.3 m -91.78 3.23 55.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.05 150.28 30.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -87.58 170.05 11.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.369 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.711 HD12 HD23 ' B' ' 50' ' ' LEU . 38.9 mm -72.35 -46.89 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.356 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -51.3 -37.16 45.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.056 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -64.67 -41.93 95.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.44 -53.22 49.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.079 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.537 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -53.2 -42.14 66.0 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.105 0.479 . . . . 0.0 110.257 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -61.64 -42.33 98.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.743 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -59.91 -41.61 92.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.536 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.432 HG12 HD11 ' B' ' 15' ' ' LEU . 72.9 mt -60.99 -45.83 97.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -63.64 -31.23 72.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.859 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.05 -9.81 52.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.165 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -93.91 -68.06 0.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 0.0 110.725 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -94.41 -63.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.133 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.11 8.63 0.24 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.796 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.648 HG21 HD11 ' B' ' 69' ' ' LEU . 2.7 mp -74.05 107.36 3.47 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.687 0.244 . . . . 0.0 110.476 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.3 Cg_endo -55.09 132.88 54.95 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.688 2.258 . . . . 0.0 112.615 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.458 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 22.2 Cg_exo -65.32 -46.16 6.16 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.785 2.324 . . . . 0.0 112.807 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -64.25 -3.93 3.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.399 . . . . 0.0 111.212 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.666 ' HG3' ' HA ' ' B' ' 72' ' ' ARG . 19.2 tp60 -109.08 -42.44 4.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.511 ' HG3' ' HZ1' ' B' ' 27' ' ' LYS . 28.5 pt20 -87.94 168.37 12.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.656 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.456 HH21 ' HE3' ' B' ' 27' ' ' LYS . 3.3 tpm_? -145.35 126.66 14.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.945 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.537 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 1.1 mm? -88.6 132.61 34.47 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.587 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 4.3 mp -130.78 144.2 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.075 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.586 ' HB2' HD22 ' B' ' 67' ' ' LEU . 30.8 t80 -144.25 129.51 18.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.7 18.56 6.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.93 -25.53 27.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.349 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.42 ' HB2' ' NZ ' ' B' ' 48' ' ' LYS . 4.5 ttmp? -96.66 120.35 36.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 110.819 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.587 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 4.5 pm0 -60.32 165.65 3.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.711 HD23 HD12 ' B' ' 23' ' ' ILE . 7.4 mp -103.73 104.35 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.724 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -76.03 136.73 39.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.913 0.387 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.21 109.89 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.998 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.33 -33.55 0.46 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.403 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -105.9 179.35 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.308 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.0 p -98.93 -175.15 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' B' ' 61' ' ' ILE . 57.9 mt -75.64 -12.71 60.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.7 p -81.21 -21.82 39.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.306 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.12 -12.99 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.171 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.512 ' HB2' HG13 ' B' ' 61' ' ' ILE . 78.1 m-85 -114.35 15.0 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.175 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 59.88 15.59 5.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.579 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.512 HG13 ' HB2' ' B' ' 59' ' ' TYR . 76.8 mt -59.57 136.96 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.764 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.24 -170.09 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.615 ' HE3' ' HB3' ' B' ' 1' ' ' MET . 13.2 mptt -67.15 146.94 53.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.985 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 57.61 20.76 6.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -57.6 138.12 55.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 85.8 m -99.13 106.9 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.203 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' B' ' 45' ' ' PHE . 20.5 mt -102.41 170.62 7.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -129.41 154.03 47.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.361 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.802 HD13 HG22 ' B' ' 7' ' ' THR . 5.7 tt -119.61 113.38 20.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.362 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.733 HG23 HD11 ' B' ' 8' ' ' LEU . 1.7 p -131.24 173.02 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.621 ' H ' HG22 ' B' ' 70' ' ' VAL . 9.0 tp 98.25 -146.61 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 O-C-N 124.203 0.94 . . . . 0.0 110.916 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.666 ' HA ' ' HG3' ' B' ' 40' ' ' GLN . 10.8 mtm180 71.79 89.57 0.1 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.389 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.449 HD21 ' HG3' ' A' 1371 ' ' GLU . 91.6 mt -150.67 166.8 29.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.157 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -76.82 136.18 38.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.841 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.15 98.51 0.11 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.538 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1339 ' ' THR . . . . . 0.435 ' HB ' HD13 ' A' 1344 ' ' LEU . 10.6 p . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.802 0.334 . . . . 0.0 111.419 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.547 HG23 ' HB2' ' A' 1343 ' ' SER . 2.4 t -63.74 123.03 80.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.456 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.26 -53.41 6.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.755 2.304 . . . . 0.0 113.413 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -42.28 -51.97 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.682 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1343 ' ' SER . . . . . 0.547 ' HB2' HG23 ' A' 1340 ' ' THR . 52.0 m -84.11 -25.72 29.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.567 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1344 ' ' LEU . . . . . 0.435 HD13 ' HB ' ' A' 1339 ' ' THR . 25.1 tp -63.95 -32.65 74.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.064 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1345 ' ' ALA . . . . . 0.465 ' HB1' HD21 ' A' 1363 ' ' LEU . . . -72.33 -47.21 51.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.467 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 47.3 t -62.35 -33.28 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.899 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -72.27 -45.81 58.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.584 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -34.76 75.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.149 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.415 HD23 ' SD ' ' A' 1352 ' ' MET . 69.3 mt -75.17 -34.8 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.658 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 42.0 t -63.92 -14.88 57.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.105 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -105.67 25.49 24.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.403 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1352 ' ' MET . . . . . 0.415 ' SD ' HD23 ' A' 1349 ' ' LEU . 88.3 mtp -114.67 -50.87 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.975 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 169.83 13.94 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.629 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.29 169.65 17.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.12 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 81.0 p -87.54 175.68 7.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.429 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -73.84 -23.98 59.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.365 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.57 -64.14 0.98 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.942 0.401 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.78 -37.71 66.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.449 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1359 ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' 1363 ' ' LEU . . . -68.55 -31.92 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -67.92 -54.04 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -60.06 -49.9 75.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.03 72.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' 1373 ' ' ALA . 0.0 OUTLIER -55.77 -61.28 2.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.322 0.582 . . . . 0.0 111.28 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -47.26 -65.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.227 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 60.0 tttm -52.2 -53.2 46.29 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 124.133 0.896 . . . . 0.0 112.005 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.486 ' HB2' ' HB1' ' A' 1372 ' ' ALA . 1.6 p -55.01 -15.21 1.89 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' 1366 ' ' CYS . 64.2 t30 95.76 52.45 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.409 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.474 ' HA ' HD12 ' A' 1363 ' ' LEU . 76.4 m95 37.57 66.96 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.781 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.525 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 23.9 m-20 -134.61 136.02 42.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.455 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1370 ' ' LEU . . . . . 0.488 HD12 HD13 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -57.49 -75.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.137 -178.934 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.543 ' OE2' HD23 ' B' ' 73' ' ' LEU . 8.9 pt-20 -50.7 -40.7 54.74 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -62.63 -37.81 87.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.696 0.284 . . . . 0.0 111.38 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1373 ' ' ALA . . . . . 0.635 ' HB2' HD13 ' A' 1363 ' ' LEU . . . -62.91 -54.17 42.77 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.035 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.76 HG21 HG21 ' B' ' 70' ' ' VAL . 78.5 m -57.86 -50.05 74.62 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 3.8 t30 -56.36 -28.8 60.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.139 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.426 ' HA ' ' HB2' ' A' 1380 ' ' SER . 39.9 t80 -70.95 -38.79 72.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.924 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.58 -19.84 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.97 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.619 HD22 ' HB2' ' B' ' 49' ' ' GLN . 69.5 mt -86.82 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.6 t70 -83.8 -63.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.022 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.426 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 28.7 m -61.28 177.45 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.131 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.976 0.417 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -148.11 147.42 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.5 pt -124.02 157.24 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -117.95 120.56 38.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' B' ' 12' ' ' THR . 2.7 t -86.94 118.58 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -101.16 97.15 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.246 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.464 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 28.9 p -73.26 143.95 46.85 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.617 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.488 HD13 HD12 ' A' 1370 ' ' LEU . 92.4 mt -61.66 -16.44 48.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.273 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 70.3 p -79.49 -23.94 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.291 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.42 54.53 0.65 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.356 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -144.88 125.81 14.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.315 . . . . 0.0 110.483 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 33.4 m -98.68 134.67 41.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.0 mt -114.87 116.92 54.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.9 m -89.18 112.71 23.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.02 136.99 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -102.97 114.89 29.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -125.82 -175.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.344 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -122.38 173.86 7.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.657 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -74.29 -12.5 60.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.5 m -98.41 -10.66 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.46 142.56 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.619 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 82.7 p -98.54 170.22 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.984 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.656 HD12 HD23 ' B' ' 50' ' ' LEU . 37.4 mm -65.68 -40.13 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -57.91 -37.87 74.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -64.19 -34.95 79.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.543 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.45 -55.31 25.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.565 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 1.6 mmtp -55.61 -46.11 77.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.907 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.3 m -58.87 -40.67 85.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.22 -43.46 94.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.22 -37.01 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -72.73 -31.0 64.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -88.1 -12.01 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.221 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -105.75 -66.58 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -80.82 -71.21 0.48 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.012 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.29 -3.26 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.766 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.495 HD12 ' N ' ' B' ' 36' ' ' ILE . 3.1 mp -68.96 114.71 24.99 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 9.5 Cg_endo -51.38 151.07 14.04 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.712 2.275 . . . . 0.0 112.44 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.543 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 71.9 Cg_endo -77.4 -45.18 0.16 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.742 2.295 . . . . 0.0 113.162 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.77 8.15 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 111.122 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.559 ' HB3' ' HG2' ' B' ' 72' ' ' ARG . 24.6 mm-40 -124.61 -13.99 6.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.675 ' HB2' HD21 ' B' ' 69' ' ' LEU . 28.4 pt20 -114.51 142.88 45.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.78 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.501 ' HG3' HD22 ' B' ' 71' ' ' LEU . 98.1 mtt180 -134.56 127.4 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.409 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.565 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.7 mm? -89.95 121.16 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.482 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.501 HD13 HG23 ' B' ' 70' ' ' VAL . 3.1 mp -116.69 140.54 38.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.428 ' HB3' HD11 ' B' ' 50' ' ' LEU . 87.3 t80 -142.8 133.15 24.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.67 15.21 7.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.481 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.26 8.44 66.44 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.888 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -116.7 139.55 50.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.629 0.252 . . . . 0.0 110.699 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.619 ' HB2' HD22 ' A' 1378 ' ' LEU . 15.7 tm0? -77.31 128.56 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.71 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.656 HD23 HD12 ' B' ' 23' ' ' ILE . 8.4 mp -87.35 113.32 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.833 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -81.25 165.67 21.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.054 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -92.91 138.14 31.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.71 -32.63 5.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.596 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.551 HH21 ' HB3' ' B' ' 58' ' ' ASP . 45.4 mtp180 -93.38 150.81 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -78.42 -175.43 4.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.264 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.537 HD22 HD12 ' B' ' 61' ' ' ILE . 35.1 mt -78.17 -25.77 47.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -66.5 -21.88 66.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.551 ' HB3' HH21 ' B' ' 54' ' ' ARG . 19.9 m-20 -76.53 -21.97 55.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.38 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -112.84 -3.47 14.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.069 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 m120 55.0 90.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.537 HD12 HD22 ' B' ' 56' ' ' LEU . 58.1 mt -117.4 136.95 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -89.07 -172.6 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -89.87 141.47 28.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 59.13 24.61 12.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -59.31 165.74 2.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 54.0 m -123.86 97.18 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.463 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.0 mp -85.81 -176.36 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.223 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -130.64 159.59 36.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.021 0.439 . . . . 0.0 111.472 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' B' ' 41' ' ' GLN . 0.4 OUTLIER -115.89 112.1 21.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.483 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.76 HG21 HG21 ' A' 1374 ' ' THR . 13.0 t -122.41 171.24 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.582 ' H ' HG12 ' B' ' 70' ' ' VAL . 12.4 tp 96.69 -142.15 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.751 0.82 . . . . 0.0 110.275 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.559 ' HG2' ' HB3' ' B' ' 40' ' ' GLN . 0.3 OUTLIER 65.51 48.28 2.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.258 0.551 . . . . 0.0 110.213 -179.259 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.543 HD23 ' OE2' ' A' 1371 ' ' GLU . 40.1 mt -84.88 178.66 7.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.012 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 55.55 -172.66 0.06 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.44 104.44 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.542 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' 1341 ' ' PRO . 3.9 t -55.97 141.29 67.82 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.226 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1341 ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' 1340 ' ' THR . 10.5 Cg_endo -91.84 -65.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.109 2.539 . . . . 0.0 112.927 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 60.7 mttp -52.37 -51.77 57.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.835 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 59.9 m -63.55 -31.56 72.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.181 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1344 ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' 1340 ' ' THR . 56.2 tp -64.75 -34.07 77.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.21 93.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 60.9 t -66.99 -48.35 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.318 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.15 -37.62 87.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.55 -41.99 75.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.441 HD12 ' HB1' ' A' 1359 ' ' ALA . 29.6 mt -65.34 -14.71 61.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.221 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 54.6 m -67.53 -27.19 66.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.604 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -79.34 -14.2 81.81 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.469 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 57.8 mmm -68.07 -66.34 0.58 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.795 0.331 . . . . 0.0 110.745 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 170.87 13.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.845 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.91 166.91 20.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.904 0.383 . . . . 0.0 111.358 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 76.7 p -76.63 -179.12 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.673 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -72.97 -37.77 66.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.359 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.05 -61.12 2.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.146 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1358 ' ' GLU . . . . . 0.443 ' HB3' HD11 ' A' 1377 ' ' LEU . 42.8 mt-10 -48.9 -39.81 27.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1359 ' ' ALA . . . . . 0.441 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -69.96 -37.6 75.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -61.81 -55.63 27.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -60.99 -41.49 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.714 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.36 -55.21 37.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.406 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' 1369 ' ' ASP . 11.2 mt -57.45 -59.35 5.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.973 0.416 . . . . 0.0 111.199 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.38 -64.35 0.74 Allowed 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.951 -177.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -48.39 -57.43 6.06 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.939 0.774 . . . . 0.0 111.616 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.566 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 73.8 m -57.25 -11.6 1.84 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.769 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' 1366 ' ' CYS . 7.6 t30 95.91 51.86 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.287 0.992 . . . . 0.0 109.118 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.482 ' N ' ' O ' ' A' 1363 ' ' LEU . 74.0 m95 42.89 82.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.836 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.52 ' O ' HD23 ' A' 1363 ' ' LEU . 24.7 m-20 -152.62 129.69 11.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.292 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1370 ' ' LEU . . . . . 0.536 HD13 HD12 ' B' ' 8' ' ' LEU . 11.1 mt -56.24 -78.35 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.411 ' OE2' ' HB2' ' B' ' 71' ' ' LEU . 12.6 pt-20 -47.94 -34.97 9.89 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.51 0.195 . . . . 0.0 111.39 -178.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' 1366 ' ' CYS . . . -62.63 -44.77 95.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.969 0.414 . . . . 0.0 109.996 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1373 ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -64.48 -46.39 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.923 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.709 HG22 HD21 ' A' 1378 ' ' LEU . 54.7 m -53.93 -55.43 27.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.525 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.45 -26.73 65.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.947 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.551 ' HA ' ' HB2' ' A' 1380 ' ' SER . 51.0 t80 -71.72 -28.08 63.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.12 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1377 ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' 1358 ' ' GLU . 3.8 mm? -76.4 -55.99 5.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.202 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.709 HD21 HG22 ' A' 1374 ' ' THR . 0.0 OUTLIER -67.15 -45.33 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.252 -179.095 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -89.39 -67.73 0.82 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.551 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 11.7 m -68.49 -178.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.29 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.115 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -129.48 171.1 12.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.85 150.85 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 89.9 m-85 -114.51 109.67 18.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.283 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 2.8 t -84.33 141.74 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.716 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -118.58 104.92 11.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.806 0.336 . . . . 0.0 111.491 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.404 HG22 HD23 ' B' ' 69' ' ' LEU . 76.7 p -86.44 142.15 28.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.383 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.536 HD12 HD13 ' A' 1370 ' ' LEU . 3.3 mm? -66.95 -17.28 64.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.323 . . . . 0.0 110.724 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.7 p -71.49 -19.49 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.35 48.4 1.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -141.09 145.57 35.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.4 m -116.4 118.03 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.787 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 44.7 mm -99.52 145.35 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.352 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.0 m -127.16 112.75 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.366 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -126.16 144.24 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 111.421 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.38 122.89 43.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.7 176.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.326 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -106.75 173.6 6.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.858 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -72.75 -17.01 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -106.09 10.11 32.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.01 144.07 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.767 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.3 p -91.89 151.14 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.332 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.443 HG22 ' HE3' ' B' ' 27' ' ' LYS . 49.4 mm -58.25 -48.6 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.341 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.436 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 19.8 t70 -56.69 -39.91 74.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.7 -42.87 84.62 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.972 0.415 . . . . 0.0 110.481 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.72 -39.28 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.201 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.454 ' HB3' ' NE2' ' B' ' 41' ' ' GLN . 32.3 mmtp -57.4 -46.25 83.66 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.112 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 63.4 m -58.5 -43.96 89.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.45 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -56.92 -43.14 81.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.22 -39.45 83.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.71 -28.74 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.448 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.05 -3.76 53.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.352 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -102.85 -67.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.057 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.67 -67.95 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.38 6.91 0.23 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.457 -0.878 . . . . 0.0 113.091 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.486 HG22 ' HB3' ' B' ' 41' ' ' GLN . 2.7 mp -63.48 131.5 94.85 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.916 0.358 . . . . 0.0 110.36 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.517 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 50.0 Cg_exo -53.09 147.4 34.42 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.242 1.962 . . . . 0.0 112.176 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.688 ' HA ' HE21 ' B' ' 41' ' ' GLN . 86.6 Cg_endo -83.21 -45.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.637 2.225 . . . . 0.0 113.15 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -74.5 0.73 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.671 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.517 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 13.7 mm100 -113.81 -48.19 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.994 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.688 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.9 pt20 -57.51 145.07 34.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.022 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.609 HH21 ' HG2' ' B' ' 49' ' ' GLN . 78.7 mtp180 -142.64 126.22 16.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.995 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' B' ' 50' ' ' LEU . 2.5 mp -82.6 138.17 34.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.313 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 70.7 mt -137.13 127.63 39.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.447 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -127.84 129.6 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.13 14.68 6.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.448 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.71 18.24 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.749 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -122.79 145.17 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.791 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.609 ' HG2' HH21 ' B' ' 42' ' ' ARG . 8.0 tp-100 -81.61 129.22 34.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' B' ' 43' ' ' LEU . 18.3 mt -89.36 103.21 15.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.655 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.79 140.93 58.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 16.0 m-20 -71.93 138.58 48.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.35 -36.33 4.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.358 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -83.81 173.34 11.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.742 0.306 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.5 p -99.42 -179.41 4.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.473 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' B' ' 61' ' ' ILE . 46.4 mt -76.95 -20.33 56.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.2 p -72.4 -21.56 61.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.285 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.38 -15.07 63.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.376 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.418 ' HB2' HG13 ' B' ' 61' ' ' ILE . 88.0 m-85 -123.97 19.24 9.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.448 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 m120 58.44 18.56 5.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.366 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' B' ' 56' ' ' LEU . 78.2 mt -55.52 118.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -92.53 -170.27 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -78.48 145.94 34.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.928 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 56.97 22.86 7.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.013 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.1 p -59.28 163.84 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.6 m -112.49 111.48 22.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.38 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.808 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.479 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.1 m-70 -128.31 152.21 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' B' ' 41' ' ' GLN . 15.0 tp -123.42 116.26 22.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.056 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' B' ' 42' ' ' ARG . 6.4 m -126.18 142.1 43.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 111.275 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.449 ' O ' HD23 ' B' ' 73' ' ' LEU . 3.6 mm? -81.49 150.55 28.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.516 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -63.04 -41.67 99.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.695 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.449 HD23 ' O ' ' B' ' 71' ' ' LEU . 0.3 OUTLIER 46.64 -164.71 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.738 179.571 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -73.2 122.59 22.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.761 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.85 -110.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.471 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.565 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 5.0 t -101.23 143.32 26.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.65 -47.35 5.52 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.577 2.184 . . . . 0.0 112.667 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -46.4 -42.08 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.721 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 70.1 m -75.72 -35.86 60.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.385 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.85 -34.03 77.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.341 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -66.28 -46.21 77.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.786 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 48.6 t -57.21 -40.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -65.93 -44.41 85.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.21 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.5 -28.55 69.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.493 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.507 ' HB3' ' HE1' ' A' 1354 ' ' PHE . 38.5 mt -88.12 -22.64 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.211 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 44.9 t -66.68 -25.95 66.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -88.55 -13.14 63.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 75.3 mmm -64.86 -62.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.641 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 170.23 23.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.675 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1354 ' ' PHE . . . . . 0.507 ' HE1' ' HB3' ' A' 1349 ' ' LEU . 0.2 OUTLIER -148.44 151.6 35.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 77.4 p -61.54 171.13 1.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.491 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.0 -17.25 64.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.085 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -58.45 3.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.87 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.39 -38.7 59.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.547 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1359 ' ' ALA . . . . . 0.432 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -69.34 -42.01 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.705 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -54.61 -49.9 69.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.05 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -66.33 -48.38 70.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -51.57 -57.65 8.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.236 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' 1368 ' ' TRP . 3.9 mt -59.16 -60.44 3.86 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.65 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -45.7 -65.57 0.52 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.756 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 27.8 tptp -51.26 -53.02 39.55 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.942 0.776 . . . . 0.0 111.841 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.698 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 98.9 m -62.28 -7.74 4.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' 1366 ' ' CYS . 67.8 m-20 94.11 54.57 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.256 0.973 . . . . 0.0 109.582 179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.527 ' N ' ' O ' ' A' 1363 ' ' LEU . 93.5 m95 36.68 85.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.546 -1.206 . . . . 0.0 112.206 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.538 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 18.3 t70 -156.76 136.64 12.55 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.225 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1370 ' ' LEU . . . . . 0.702 HD13 ' HB3' ' B' ' 8' ' ' LEU . 14.4 mt -58.99 -76.57 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.488 ' HG3' HG13 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -41.92 -49.24 4.56 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' A' 1366 ' ' CYS . . . -59.82 -38.33 81.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.181 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1373 ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -68.75 -56.03 9.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.516 HG22 HD11 ' A' 1378 ' ' LEU . 4.4 m -55.37 -36.51 66.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.48 -31.38 72.09 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.685 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.69 ' HA ' ' HB2' ' A' 1380 ' ' SER . 73.4 t80 -63.61 -45.17 91.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.268 0.556 . . . . 0.0 109.872 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 28.9 mt -76.89 -20.5 56.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.299 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.516 HD11 HG22 ' A' 1374 ' ' THR . 48.2 mt -95.14 -65.41 0.98 Allowed 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -86.18 -59.22 2.35 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.69 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 5.4 t -36.82 -55.73 0.88 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.845 0.355 . . . . 0.0 111.438 -178.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.027 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.472 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 3.9 ppp? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.033 0.444 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -117.46 165.64 13.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.1 pt -138.52 138.81 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.591 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -102.45 100.39 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 111.126 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.525 HG22 HD11 ' B' ' 43' ' ' LEU . 50.3 t -86.29 110.96 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.781 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -101.13 134.9 43.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 111.137 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.526 HG22 ' HB3' ' B' ' 69' ' ' LEU . 66.1 p -102.81 142.04 34.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.209 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.702 ' HB3' HD13 ' A' 1370 ' ' LEU . 93.7 mt -70.12 2.36 3.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 111.03 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 77.5 p -90.71 -10.12 44.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.7 49.17 1.69 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.481 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -144.85 138.17 26.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 111.013 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -107.05 138.22 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 78.5 mt -127.79 141.23 46.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.371 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -126.9 121.16 30.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.397 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.576 HD11 ' HE3' ' B' ' 29' ' ' LYS . 26.0 tp -124.98 143.74 50.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.079 0.466 . . . . 0.0 111.733 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -103.01 108.92 20.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.756 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.1 m -130.6 161.69 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.45 . . . . 0.0 111.898 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -88.08 169.18 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -75.6 -1.86 26.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.4 m -111.37 -3.2 15.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.2 142.0 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.674 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 63.1 p -94.03 164.68 12.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.378 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.457 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.6 mm -63.32 -38.56 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 14.4 t70 -59.77 -33.97 72.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.664 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 10.2 m120 -67.85 -36.31 80.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.78 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -60.27 -53.93 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.154 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.55 ' HE2' HD23 ' B' ' 43' ' ' LEU . 1.9 mmtp -49.22 -47.82 45.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.558 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -63.49 -49.32 74.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.576 ' HE3' HD11 ' B' ' 15' ' ' LEU . 30.9 mtpp -56.91 -30.03 63.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.0 mt -78.02 -40.13 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -61.56 -36.48 80.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -83.62 -15.92 47.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -90.18 -68.36 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.8 -71.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.617 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.49 2.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.8 mm -62.48 127.27 89.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.455 0.128 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.567 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 37.1 Cg_exo -56.83 127.66 26.75 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.34 2.027 . . . . 0.0 112.19 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.525 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 37.0 Cg_endo -66.22 -40.47 15.12 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.539 2.159 . . . . 0.0 112.879 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.84 7.51 5.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.547 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 27.9 mm-40 -126.66 -20.68 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.525 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.1 pt20 -95.26 143.23 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.478 ' HB3' HE22 ' B' ' 49' ' ' GLN . 81.5 mtt180 -134.88 122.39 21.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.55 HD23 ' HE2' ' B' ' 27' ' ' LYS . 2.1 mm? -79.1 131.54 36.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.511 HD13 HD11 ' A' 1378 ' ' LEU . 23.3 mt -131.59 150.28 33.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.99 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.408 ' HB2' HD22 ' B' ' 67' ' ' LEU . 82.7 t80 -159.75 143.53 14.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.59 17.1 3.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.415 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.49 -20.12 39.94 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.381 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -93.7 141.56 28.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.478 HE22 ' HB3' ' B' ' 42' ' ' ARG . 54.5 tp60 -69.29 142.65 54.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.152 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.544 HD12 ' HB3' ' B' ' 43' ' ' LEU . 74.1 mt -100.53 95.3 6.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.467 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.05 158.4 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.039 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 5.1 p-10 -87.39 150.37 23.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.787 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.47 -50.43 0.81 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.342 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.406 ' NE ' ' HA ' ' B' ' 54' ' ' ARG . 4.1 mmp_? -71.1 160.9 32.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.75 0.309 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -83.33 -174.89 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.013 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.456 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 24.2 mt -85.18 -10.03 57.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.006 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -81.09 -25.83 36.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.57 -5.93 40.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -127.68 9.54 6.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.291 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 56.02 32.27 19.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.368 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.456 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 29.2 mm -59.51 110.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -78.64 175.93 9.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.013 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.472 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 28.2 mmtp -75.75 140.15 42.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.74 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 59.33 20.5 8.72 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.917 0.389 . . . . 0.0 110.707 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 95.9 p -59.0 134.27 56.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.041 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 45.8 m -85.06 97.04 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.736 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' B' ' 6' ' ' LYS . 47.6 mt -82.71 175.64 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -127.75 158.48 37.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.882 0.372 . . . . 0.0 111.088 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.526 ' HB3' HG22 ' B' ' 7' ' ' THR . 6.2 tt -132.57 113.06 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.43 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.488 HG13 ' HG3' ' A' 1371 ' ' GLU . 57.9 t -122.83 150.67 26.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 16.8 tp -66.71 158.32 30.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.976 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.466 ' HG3' HH21 ' B' ' 42' ' ' ARG . 64.3 ttt180 -88.03 -34.6 17.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.2 mt 64.5 174.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -92.76 150.63 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.41 -22.77 0.29 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.474 179.91 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 121.031 0.444 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.629 HG23 ' HB3' ' A' 1343 ' ' SER . 0.1 OUTLIER -54.21 147.3 27.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.759 179.317 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.79 -41.92 0.65 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.508 2.138 . . . . 0.0 113.015 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1342 ' ' LYS . . . . . 0.405 ' HB2' ' NZ ' ' A' 1342 ' ' LYS . 10.3 mtmp? -55.77 -40.16 72.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.018 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1343 ' ' SER . . . . . 0.629 ' HB3' HG23 ' A' 1340 ' ' THR . 26.6 t -84.2 -40.22 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.245 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 54.3 tp -55.26 -41.3 72.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.358 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -64.59 -50.69 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.804 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 61.0 t -58.47 -34.11 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -69.63 -45.01 69.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.805 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.24 -32.9 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.442 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.426 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 83.3 mt -76.42 -16.1 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.267 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 48.1 t -74.12 -21.46 59.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -91.56 0.5 74.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.235 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 92.0 mmm -80.83 -58.09 3.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.834 0.349 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 165.44 16.43 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.734 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1354 ' ' PHE . . . . . 0.426 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.2 OUTLIER -141.16 147.76 38.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 111.071 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 67.6 p -58.71 168.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.707 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -67.07 -26.62 66.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.713 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.55 -59.96 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.748 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -54.58 -41.2 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.067 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.27 -32.05 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.26 -52.73 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -62.14 -45.99 90.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.47 -50.93 64.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' 1368 ' ' TRP . 1.0 OUTLIER -60.21 -60.05 4.43 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.499 -179.462 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.44 -64.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.317 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -51.37 -53.57 35.05 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.807 0.692 . . . . 0.0 111.421 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.519 ' O ' ' HB2' ' A' 1367 ' ' ASN . 89.6 m -60.3 -8.5 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' 1366 ' ' CYS . 16.9 m120 94.85 52.82 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.306 1.004 . . . . 0.0 109.351 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' 1363 ' ' LEU . 79.4 m95 42.48 37.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.77 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.451 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 13.1 m-20 -98.09 136.99 37.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.364 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1370 ' ' LEU . . . . . 0.47 ' HG ' HD21 ' B' ' 8' ' ' LEU . 18.3 tp -71.83 -65.79 0.72 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.422 ' OE1' ' HB3' ' A' 1369 ' ' ASP . 0.1 OUTLIER -52.67 -37.71 59.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.692 0.282 . . . . 0.0 111.12 -179.592 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -66.22 -36.07 82.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.027 0.441 . . . . 0.0 110.436 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1373 ' ' ALA . . . . . 0.495 ' HB2' ' HG ' ' A' 1363 ' ' LEU . . . -64.77 -50.91 64.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.268 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.543 HG21 HG21 ' B' ' 70' ' ' VAL . 25.8 m -57.31 -46.35 83.28 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.665 ' HA ' HD12 ' A' 1378 ' ' LEU . 4.4 t30 -61.51 -28.11 69.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.097 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' A' 1373 ' ' ALA . 36.0 t80 -66.06 -51.7 55.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.057 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.69 -21.71 65.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' 1375 ' ' ASN . 59.8 mt -80.16 -60.66 2.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.274 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.14 -66.46 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.511 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 51.6 m -48.51 111.17 0.42 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.332 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.037 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.0 0.429 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -100.2 149.21 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 pt -134.07 156.27 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -122.1 103.28 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.32 141.96 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.961 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' B' ' 6' ' ' LYS . 3.9 ttmp? -127.57 96.64 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.156 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.582 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.4 p -61.27 144.07 54.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.64 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.47 HD21 ' HG ' ' A' 1370 ' ' LEU . 12.7 tp -71.37 -0.66 10.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.223 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -89.95 -34.03 16.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.743 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.38 47.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.59 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -143.34 145.78 32.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 84.1 m -113.92 142.66 45.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.6 mt -134.23 144.83 34.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 58.7 m -113.59 123.87 50.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.9 tp -128.19 148.22 50.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.993 0.425 . . . . 0.0 111.378 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -109.55 99.05 8.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.013 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.74 -175.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.301 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -130.32 159.47 36.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.91 0.386 . . . . 0.0 110.981 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.4 m -68.65 -13.65 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.783 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -92.05 -17.91 24.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.737 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.87 136.87 43.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.928 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 81.9 p -77.37 -177.28 4.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.298 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.9 mm -75.28 -50.19 25.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.161 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.423 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 4.5 p30 -56.84 -38.71 73.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -56.49 -44.35 80.59 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.552 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.99 -37.47 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.58 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.557 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 32.0 mmtp -57.68 -42.3 83.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.6 t -65.47 -47.43 76.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.436 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -54.95 -35.77 64.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.609 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.7 mt -72.31 -39.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.309 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -58.98 -35.09 72.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.359 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -89.69 -13.46 36.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -84.9 -67.88 0.77 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.728 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.56 -61.63 1.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.0 4.04 1.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.165 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.08 120.91 79.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 110.789 -0.078 . . . . 0.0 110.789 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.3 Cg_exo -53.85 146.99 43.41 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.452 2.102 . . . . 0.0 112.717 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.525 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 21.5 Cg_exo -65.56 -45.11 7.32 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.613 2.208 . . . . 0.0 112.389 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.71 9.04 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.581 ' O ' ' HA ' ' B' ' 71' ' ' LEU . 33.4 tt0 -126.31 -18.41 4.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.677 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.588 ' HB2' HD21 ' B' ' 69' ' ' LEU . 12.1 pt20 -99.77 136.37 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.028 0.442 . . . . 0.0 111.811 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.476 ' HG3' ' HA ' ' B' ' 72' ' ' ARG . 1.3 mmp_? -130.5 131.11 44.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.245 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.557 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.7 mp -93.24 124.08 36.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.574 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.473 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 67.7 mt -125.1 139.51 50.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.8 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -142.13 131.13 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.78 14.27 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.349 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.61 30.07 14.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.243 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -131.34 133.11 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.539 ' HB2' HD22 ' A' 1378 ' ' LEU . 24.5 tp60 -77.51 113.97 15.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' B' ' 43' ' ' LEU . 76.2 mt -76.23 102.97 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.31 151.15 48.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.423 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 5.1 p-10 -78.53 149.81 33.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.35 -43.85 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -81.1 178.85 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.3 p -103.68 -174.29 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.2 mt -76.92 -33.8 57.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 81.1 p -69.4 -23.25 63.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.9 -18.91 65.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -123.59 4.81 8.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 59.01 92.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.233 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.6 mt -124.26 109.86 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.763 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -67.64 -174.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -84.37 148.04 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.42 19.88 6.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.263 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.6 m -59.4 150.3 26.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.786 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -101.16 104.45 15.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.21 172.62 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.667 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.473 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.0 m-70 -127.86 144.19 51.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 111.319 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' B' ' 41' ' ' GLN . 0.3 OUTLIER -112.35 109.21 18.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.266 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.543 HG21 HG21 ' A' 1374 ' ' THR . 38.5 t -120.73 154.05 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.581 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 1.3 tt -67.04 135.73 54.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.787 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.544 ' N ' HD23 ' B' ' 71' ' ' LEU . 45.9 ttp180 -47.74 -43.15 26.83 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.674 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.527 ' H ' HD22 ' B' ' 71' ' ' LEU . 19.5 tp 64.04 164.48 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.058 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -93.08 -51.28 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.68 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.6 -43.45 1.28 Allowed Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.561 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.453 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 4.9 t -90.88 143.14 28.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.041 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -74.59 -22.5 15.71 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.584 2.189 . . . . 0.0 112.602 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.85 -38.74 86.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.046 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 48.0 t -80.09 -36.35 35.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.692 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.0 -34.41 74.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.176 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.77 68.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 0.0 110.405 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 39.9 t -68.06 -31.6 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.86 -41.92 61.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.244 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.17 -37.4 80.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.433 ' HB3' ' HE1' ' A' 1354 ' ' PHE . 75.4 mt -74.0 -37.02 64.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.834 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.3 t -56.26 -29.6 61.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.27 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -90.4 35.01 3.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.677 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 82.6 mtp -121.25 -58.78 1.77 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.74 0.305 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 178.19 16.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.733 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1354 ' ' PHE . . . . . 0.433 ' HE1' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -145.74 147.83 32.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 111.051 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 70.3 p -63.06 169.68 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.66 -22.61 66.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -71.19 -53.02 15.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.667 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.67 -38.0 77.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.47 83.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.969 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -58.82 -49.98 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -63.22 -45.99 89.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.18 -54.69 36.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.256 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' 1369 ' ' ASP . 6.0 mt -59.27 -59.63 5.15 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.53 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -45.48 -64.88 0.63 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.332 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 62.5 tttp -50.8 -54.32 24.56 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.911 0.757 . . . . 0.0 111.636 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.521 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 87.2 m -58.7 -10.26 2.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' 1366 ' ' CYS . 71.4 m-20 94.42 53.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.298 0.999 . . . . 0.0 109.308 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' 1363 ' ' LEU . 75.9 m95 39.18 82.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.726 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 16.4 t70 -153.87 134.25 13.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.189 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1370 ' ' LEU . . . . . 0.477 HD22 HD12 ' B' ' 8' ' ' LEU . 13.1 mt -62.35 -73.98 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.448 ' HG3' HD11 ' B' ' 73' ' ' LEU . 15.9 pt-20 -48.71 -34.92 12.91 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.536 0.208 . . . . 0.0 111.409 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -69.73 -39.91 76.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.892 0.377 . . . . 0.0 110.534 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -64.14 -49.96 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.67 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.642 HG21 HG21 ' B' ' 70' ' ' VAL . 26.1 m -62.25 -50.44 71.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.978 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.676 ' HA ' HD12 ' A' 1378 ' ' LEU . 3.4 t30 -53.81 -32.79 54.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.32 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.519 ' O ' ' HB3' ' A' 1380 ' ' SER . 91.3 t80 -74.49 -56.43 4.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.763 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 79.6 mt -50.97 -26.1 5.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.067 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' 1375 ' ' ASN . 45.3 mt -70.39 -56.09 7.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.312 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -94.1 -67.43 0.86 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.378 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.519 ' HB3' ' O ' ' A' 1376 ' ' PHE . 24.9 p 39.81 89.58 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.885 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.118 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.856 0.36 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -138.13 156.03 48.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.683 ' HB ' HD23 ' B' ' 67' ' ' LEU . 36.4 pt -135.35 156.12 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -116.63 94.55 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.269 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.548 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 77.5 t -65.03 147.35 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.941 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -127.63 110.2 12.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.498 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 58.4 p -87.85 146.23 25.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.014 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.646 HD21 HG22 ' B' ' 70' ' ' VAL . 3.3 mm? -62.89 -20.94 65.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.808 0.337 . . . . 0.0 111.01 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 39.5 m -67.02 -23.72 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.04 52.65 0.73 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.404 ' HE3' ' OE1' ' B' ' 34' ' ' GLU . 56.8 tttm -138.81 144.94 39.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -117.69 100.96 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.548 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 72.1 mt -85.76 133.27 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.409 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.5 m -107.75 113.02 25.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.47 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.0 tp -120.25 150.85 40.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -116.7 114.51 24.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.777 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.6 -170.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.052 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -119.96 167.19 12.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -72.34 -17.74 61.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.8 t -92.5 -12.56 31.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.053 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.26 150.47 34.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 21.3 p -90.79 171.99 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.43 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.42 -58.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.536 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -51.26 -37.94 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -55.66 -45.85 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.163 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.484 HG11 HD21 ' B' ' 43' ' ' LEU . 60.2 t -59.82 -43.96 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.475 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -52.71 -43.22 65.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.631 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.5 m -64.75 -48.29 75.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.758 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.35 -31.88 64.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.737 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.4 mt -76.02 -37.51 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -61.03 -40.14 92.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -81.98 -16.62 49.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -79.78 -37.35 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.571 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.404 ' OE1' ' HE3' ' B' ' 11' ' ' LYS . 58.4 mm-40 -130.71 -68.72 0.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.42 4.57 0.3 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.4 mm -61.67 129.4 91.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.781 0.29 . . . . 0.0 110.632 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.1 Cg_endo -55.46 129.22 33.98 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.673 2.248 . . . . 0.0 112.428 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 8.1 Cg_exo -73.21 -31.04 9.86 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.82 2.347 . . . . 0.0 112.552 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -78.31 0.94 23.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.319 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -123.45 -43.77 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.248 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.521 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 12.5 pt20 -66.6 157.81 31.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.609 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -149.52 145.4 26.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.422 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.484 HD21 HG11 ' B' ' 26' ' ' VAL . 2.1 mp -94.94 130.26 41.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.346 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.581 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 4.7 mp -124.58 139.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.557 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.429 ' HE1' ' HB2' ' B' ' 65' ' ' SER . 66.7 t80 -138.75 131.79 29.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.88 19.63 2.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.474 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.03 -30.84 9.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.594 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -90.92 122.05 33.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 12.2 pt20 -72.37 155.08 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.527 HD21 HD11 ' B' ' 61' ' ' ILE . 5.7 mp -106.32 124.09 49.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.04 140.28 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.44 159.7 9.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.57 -32.79 4.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.641 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.434 HH21 ' HB3' ' B' ' 58' ' ' ASP . 47.7 mtp180 -81.72 176.14 9.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.689 0.28 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -105.77 155.33 19.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.163 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.542 ' HB3' HD12 ' B' ' 61' ' ' ILE . 54.3 mt -62.98 -14.88 53.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -81.26 -21.96 39.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.342 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.434 ' HB3' HH21 ' B' ' 54' ' ' ARG . 4.1 m-20 -73.25 -4.21 31.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.416 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -126.44 -3.92 6.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.486 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t30 57.46 96.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.758 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' B' ' 56' ' ' LEU . 56.5 mt -121.0 128.16 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -80.11 178.14 8.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.404 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -84.61 146.06 27.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.711 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 56.19 21.49 5.29 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.903 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.429 ' HB2' ' HE1' ' B' ' 45' ' ' PHE . 91.9 p -63.93 -179.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.348 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.9 m -117.94 119.01 33.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.683 HD23 ' HB ' ' B' ' 3' ' ' ILE . 4.6 mm? -103.67 163.98 11.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.578 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.581 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 44.7 m-70 -129.04 125.29 36.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 111.032 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 41' ' ' GLN . 20.8 tp -104.21 106.02 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.646 HG22 HD21 ' B' ' 8' ' ' LEU . 8.4 t -120.36 147.11 24.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.647 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 82.1 mt -82.43 160.72 22.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -91.78 -36.18 13.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.968 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.448 HD11 ' HG3' ' A' 1371 ' ' GLU . 54.8 mt 64.84 160.29 0.11 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.308 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -149.78 117.03 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.812 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.44 -52.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.344 -1.254 . . . . 0.0 112.465 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 61.5 p . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.416 HG23 ' HB2' ' A' 1343 ' ' SER . 3.8 t -148.41 144.44 18.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.39 -48.38 6.11 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.548 2.165 . . . . 0.0 112.625 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -47.31 -46.1 24.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.663 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1343 ' ' SER . . . . . 0.416 ' HB2' HG23 ' A' 1340 ' ' THR . 66.5 m -76.35 -34.54 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.49 -43.27 88.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1345 ' ' ALA . . . . . 0.479 ' HA ' HD23 ' A' 1370 ' ' LEU . . . -61.17 -44.12 97.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 36.3 t -62.82 -34.77 67.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.652 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -70.59 -42.91 70.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.466 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -29.06 69.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.389 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.488 HD12 ' HB1' ' A' 1359 ' ' ALA . 28.7 mt -80.6 -36.37 32.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.669 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.9 t -66.06 -11.42 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -106.15 11.01 44.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.676 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.1 mtp -96.9 -49.43 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.718 0.294 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 169.04 18.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.7 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1354 ' ' PHE . . . . . 0.412 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -145.79 174.96 10.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 111.264 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 70.7 p -84.39 174.9 9.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.513 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -73.15 -23.16 60.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.7 -62.51 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.06 -31.28 40.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1359 ' ' ALA . . . . . 0.488 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -72.85 -36.3 67.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.676 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -64.06 -45.01 90.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -67.43 -52.66 36.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.09 -45.47 68.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.277 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.517 ' HA ' ' HB2' ' A' 1373 ' ' ALA . 17.3 mt -63.87 -59.62 4.3 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.555 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -45.87 -64.46 0.73 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.696 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1365 ' ' LYS . . . . . 0.407 ' C ' ' H ' ' A' 1367 ' ' ASN . 23.7 tptm -52.15 -52.54 51.18 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 124.0 0.812 . . . . 0.0 112.185 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.529 ' O ' ' HB2' ' A' 1367 ' ' ASN . 2.7 p -58.94 -9.57 1.94 Allowed 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' 1366 ' ' CYS . 45.4 m-80 92.39 53.78 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.487 0 O-C-N 124.408 1.068 . . . . 0.0 109.654 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.43 ' N ' ' O ' ' A' 1363 ' ' LEU . 82.2 m95 39.49 74.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.654 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 13.5 m-20 -143.48 126.32 16.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.259 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1370 ' ' LEU . . . . . 0.554 HD12 HD13 ' B' ' 8' ' ' LEU . 2.4 tm? -49.76 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.478 ' HG3' HD21 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -54.55 -44.65 73.08 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.361 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -56.74 -34.96 68.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1373 ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -67.65 -41.04 84.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.626 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1374 ' ' THR . . . . . . . . . . . . . 21.5 m -63.78 -54.49 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.051 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 1.6 t30 -55.69 -34.15 64.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.859 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.501 ' HA ' ' HB2' ' A' 1380 ' ' SER . 46.7 t80 -71.99 -35.58 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.777 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 16.0 tp -77.3 -19.65 56.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.473 HD22 ' HB2' ' B' ' 49' ' ' GLN . 50.8 mt -89.19 -64.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.772 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -81.07 -63.37 1.42 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.319 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.501 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 4.1 m -60.64 -179.93 0.14 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.124 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.249 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.709 0.29 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -118.55 154.42 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 111.458 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 pt -134.48 159.03 42.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -123.29 104.53 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.972 0.415 . . . . 0.0 111.411 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.481 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 53.4 t -95.26 130.0 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.141 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.494 ' HD3' ' ND1' ' B' ' 68' ' ' HIS . 13.4 ptmm? -110.83 133.65 53.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 111.801 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.404 HG22 ' CD2' ' B' ' 69' ' ' LEU . 73.1 p -85.1 155.16 21.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.01 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.554 HD13 HD12 ' A' 1370 ' ' LEU . 87.1 mt -75.5 6.92 4.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 111.071 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 64.4 m -103.43 -27.55 12.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.63 57.2 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -144.21 137.99 27.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 111.036 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.1 m -93.61 143.53 26.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.313 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.481 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 71.8 mt -128.5 109.71 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.244 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 33.0 m -97.98 117.22 31.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.339 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.2 tp -129.01 136.49 50.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.913 0.387 . . . . 0.0 111.777 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -98.09 98.24 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.145 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -112.36 -169.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.735 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.43 164.79 26.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.552 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -75.9 5.57 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.311 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -106.53 -22.15 12.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -65.82 157.9 29.21 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.287 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 75.2 p -110.29 157.95 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.34 -40.53 57.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.63 -33.11 65.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.443 ' ND2' ' HE3' ' B' ' 29' ' ' LYS . 47.7 t30 -81.89 -29.16 32.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 98.9 t -61.87 -53.78 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.023 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.567 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 4.8 mptp? -52.89 -36.27 59.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.1 t -65.17 -49.9 68.02 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.509 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.443 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 98.8 mttt -56.57 -36.07 68.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.403 ' HB ' HE22 ' B' ' 41' ' ' GLN . 63.1 mt -70.28 -37.62 71.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -59.88 -42.22 93.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.325 179.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.79 -6.64 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.456 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -92.3 -32.79 14.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -131.6 -69.41 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.1 -7.26 0.25 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.694 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mm -65.08 118.67 51.79 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.712 0.256 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.486 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 52.6 Cg_exo -53.8 132.02 47.24 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.493 2.128 . . . . 0.0 112.284 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.567 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.2 Cg_exo -59.0 -39.21 82.81 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.536 2.157 . . . . 0.0 112.42 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.94 -10.88 23.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.263 0.554 . . . . 0.0 110.064 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.668 ' HB3' ' HA ' ' B' ' 72' ' ' ARG . 75.6 mt-30 -109.55 -16.05 14.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.539 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.503 ' C ' ' HZ2' ' B' ' 27' ' ' LYS . 33.1 mt-30 -93.74 128.83 40.16 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.475 ' HD2' HD23 ' B' ' 71' ' ' LEU . 94.8 mtt180 -136.27 124.31 22.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.828 177.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.5 ' HG ' ' NZ ' ' B' ' 27' ' ' LYS . 30.9 mt -88.02 147.01 25.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 111.879 -178.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.467 HD11 HG11 ' B' ' 70' ' ' VAL . 18.3 mt -134.78 128.48 50.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.749 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -132.16 139.29 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.745 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.78 14.56 6.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.418 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.38 -15.41 62.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.953 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -104.15 138.51 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.337 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.473 ' HB2' HD22 ' A' 1378 ' ' LEU . 28.4 tt0 -70.97 151.8 44.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.466 ' N ' HD12 ' B' ' 50' ' ' LEU . 6.2 mp -103.74 122.64 45.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.931 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -79.99 176.86 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -101.15 14.34 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -111.81 10.72 27.61 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.85 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -136.1 170.65 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.4 p -101.78 179.91 4.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.5 mt -72.17 -24.1 61.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.979 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.7 m -76.68 -21.99 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -70.26 -17.78 63.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.206 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.493 ' HB2' HG13 ' B' ' 61' ' ' ILE . 76.8 m-85 -110.44 5.13 21.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.059 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 56.57 26.98 11.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.311 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.493 HG13 ' HB2' ' B' ' 59' ' ' TYR . 54.3 mt -57.77 120.34 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.97 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -75.61 179.74 5.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -82.26 147.59 28.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 57.06 19.9 5.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t -61.71 168.87 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 55.3 m -123.97 107.81 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.481 ' HB3' HD22 ' B' ' 43' ' ' LEU . 9.1 mp -97.47 162.48 13.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.458 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.494 ' ND1' ' HD3' ' B' ' 6' ' ' LYS . 25.5 m-70 -112.51 144.64 41.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.066 0.46 . . . . 0.0 111.697 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.404 ' CD2' HG22 ' B' ' 7' ' ' THR . 54.0 tp -95.9 138.67 33.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.06 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.553 HG22 ' H ' ' B' ' 71' ' ' LEU . 1.3 p -146.99 172.24 3.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.653 ' HB3' ' O ' ' B' ' 40' ' ' GLN . 0.2 OUTLIER 92.69 -131.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.282 0.989 . . . . 0.0 110.588 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.668 ' HA ' ' HB3' ' B' ' 40' ' ' GLN . 0.9 OUTLIER 62.85 43.11 7.22 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.007 -178.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.478 HD21 ' HG3' ' A' 1371 ' ' GLU . 96.8 mt -120.75 160.9 22.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -66.22 123.33 19.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.713 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.5 -0.76 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.585 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.497 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 57.3 p . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.86 0.362 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' 1344 ' ' LEU . 2.7 t -97.23 151.33 37.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.801 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.21 -76.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.637 2.224 . . . . 0.0 113.53 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 51.2 pttt -81.05 -43.24 19.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1343 ' ' SER . . . . . 0.435 ' HB2' ' OG1' ' A' 1340 ' ' THR . 19.8 m -57.19 -16.22 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.687 0.279 . . . . 0.0 110.768 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1344 ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' 1340 ' ' THR . 0.7 OUTLIER -60.19 -43.54 95.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.435 179.494 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.29 89.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.915 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.9 t -61.4 -35.96 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -73.58 -37.55 65.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -67.84 -33.27 74.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.031 0.443 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.462 HD12 HD11 ' A' 1363 ' ' LEU . 91.0 mt -76.43 -21.99 55.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 46.4 t -65.18 -30.41 71.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -90.12 42.07 2.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.424 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 82.3 mtp -133.11 -51.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.6 0.238 . . . . 0.0 111.092 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 162.73 15.81 0.03 OUTLIER Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.028 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.03 149.4 44.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.956 0.408 . . . . 0.0 111.245 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 66.7 p -68.57 170.9 8.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.328 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1356 ' ' GLU . . . . . 0.458 ' CD ' ' H ' ' A' 1356 ' ' GLU . 2.3 mp0 -67.76 -27.6 66.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.33 -61.35 2.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.689 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -53.66 -35.58 61.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.767 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -69.77 -39.2 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.84 -53.84 52.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1361 ' ' ASN . . . . . 0.432 ' O ' ' HD3' ' A' 1365 ' ' LYS . 47.4 m-80 -62.11 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.6 -54.86 41.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.345 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' 1368 ' ' TRP . 6.8 mt -57.98 -59.2 5.63 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.309 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -45.73 -64.59 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.283 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1365 ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' 1361 ' ' ASN . 5.6 mptp? -49.7 -55.83 12.42 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.776 0.673 . . . . 0.0 111.751 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.449 ' O ' ' CB ' ' A' 1367 ' ' ASN . 97.7 m -56.11 -13.0 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.656 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' 1366 ' ' CYS . 8.4 t30 96.38 52.11 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.353 1.033 . . . . 0.0 109.074 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' 1363 ' ' LEU . 83.0 m95 38.93 73.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.679 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 22.1 m-20 -137.3 135.38 37.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.574 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.533 ' HG2' HD11 ' B' ' 73' ' ' LEU . 0.1 OUTLIER -49.02 -39.05 25.46 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.813 -178.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -61.71 -42.64 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.377 . . . . 0.0 111.173 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1373 ' ' ALA . . . . . 0.419 ' HB2' HD23 ' A' 1363 ' ' LEU . . . -58.76 -52.63 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.68 HG21 HG21 ' B' ' 70' ' ' VAL . 29.6 m -55.28 -43.34 74.63 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 3.5 t30 -62.91 -27.4 69.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.116 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' 1380 ' ' SER . 41.6 t80 -70.53 -40.11 73.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.948 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.71 -19.92 61.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.874 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.552 HD22 ' HB2' ' B' ' 49' ' ' GLN . 60.8 mt -86.88 -64.39 1.16 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.541 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -85.6 -61.49 1.75 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.643 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' 1376 ' ' PHE . 60.7 m -57.99 -10.87 2.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.481 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.17 179.879 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.446 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 25.5 ptm . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -111.3 149.94 30.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.9 pt -132.52 146.68 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.779 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 91.7 m-85 -114.42 106.21 14.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.238 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.565 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 48.3 t -75.45 144.69 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.628 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -130.7 100.97 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.436 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.466 ' HB ' HG22 ' B' ' 9' ' ' THR . 47.0 p -89.65 143.3 26.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.198 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.495 HD21 HG22 ' B' ' 70' ' ' VAL . 3.1 mm? -65.02 -19.73 66.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.669 0.271 . . . . 0.0 111.084 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.466 HG22 ' HB ' ' B' ' 7' ' ' THR . 5.9 t -72.02 -6.78 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.73 52.69 2.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.57 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -141.3 125.69 17.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 110.662 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 80.2 m -105.77 130.69 53.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.583 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.565 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 21.9 mt -116.13 149.4 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.479 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 66.1 m -126.62 112.75 15.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.439 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 51.1 tp -126.79 146.56 50.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.387 . . . . 0.0 111.382 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -111.12 106.24 15.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.16 -171.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.173 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -114.46 172.51 6.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p -75.41 -15.2 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -93.3 -12.4 30.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.52 133.28 50.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.8 p -82.28 -173.75 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.2 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.436 HG22 ' HE3' ' B' ' 27' ' ' LYS . 36.7 mm -80.2 -50.22 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.649 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.28 -33.08 67.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.158 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -62.07 -40.61 96.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.31 -34.39 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.559 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.509 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 32.7 mmtp -60.1 -44.31 94.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.7 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -67.28 -48.23 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.748 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -53.49 -38.53 63.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.1 mt -75.68 -34.21 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.679 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.14 -34.35 76.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -79.42 -12.08 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -94.73 -66.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.807 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -91.07 -74.95 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.35 51.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.243 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.461 HG22 ' HB3' ' B' ' 41' ' ' GLN . 4.2 mp -98.55 130.68 27.47 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.42 114.52 1.86 Allowed 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.523 2.148 . . . . 0.0 112.771 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.546 ' HA ' HE21 ' B' ' 41' ' ' GLN . 35.9 Cg_exo -62.25 -19.95 68.51 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.71 2.274 . . . . 0.0 112.749 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.51 -1.86 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.632 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.522 HE21 ' HB3' ' B' ' 74' ' ' ARG . 82.7 mt-30 -129.45 -42.51 1.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.672 0.272 . . . . 0.0 111.618 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.557 ' HB2' HD21 ' B' ' 69' ' ' LEU . 28.4 pt20 -61.08 157.2 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 0.0 111.749 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.615 HH21 ' HG2' ' B' ' 49' ' ' GLN . 12.0 ptm180 -161.51 142.9 11.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.249 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.509 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 69.6 mt -92.29 142.76 27.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.951 0.405 . . . . 0.0 111.85 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.562 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 5.0 mp -132.37 142.24 43.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.817 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -145.36 130.11 18.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.63 17.83 8.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.34 18.54 62.25 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.282 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -127.46 127.5 44.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.733 0.301 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.615 ' HG2' HH21 ' B' ' 42' ' ' ARG . 52.5 tp60 -61.92 139.82 58.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.047 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' B' ' 43' ' ' LEU . 66.6 mt -93.78 98.79 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.48 136.61 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.46 146.68 52.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.26 -36.58 4.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.403 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -86.6 146.77 26.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.677 0.275 . . . . 0.0 110.735 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.8 p -74.07 -177.46 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.9 mt -81.94 -8.77 59.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.17 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.6 p -81.22 -22.17 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.169 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.87 -4.86 34.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.325 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.516 ' HB2' HG13 ' B' ' 61' ' ' ILE . 88.7 m-85 -129.58 14.49 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.231 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 56.77 22.57 7.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.498 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.516 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.7 mt -62.42 105.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.789 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.97 -167.79 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.386 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.446 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 20.6 mmtp -85.22 151.95 23.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.075 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.2 24.51 11.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 p -67.69 157.08 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.198 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 30.7 m -102.85 106.59 17.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.731 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.07 153.06 18.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.467 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.562 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.1 m-70 -114.7 127.87 56.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.173 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' B' ' 41' ' ' GLN . 2.9 tm? -110.03 111.53 22.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.759 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.68 HG21 HG21 ' A' 1374 ' ' THR . 4.3 t -124.56 156.55 32.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.657 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.8 mp -106.05 155.54 19.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.036 0.446 . . . . 0.0 111.378 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -81.73 -18.42 44.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' 1371 ' ' GLU . 52.0 mt 66.1 121.9 0.02 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.154 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.522 ' HB3' HE21 ' B' ' 40' ' ' GLN . 26.4 ttm180 -142.62 117.06 9.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.653 179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.35 -34.64 4.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.38 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.461 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' 1341 ' ' PRO . 5.2 t -60.17 145.6 85.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.972 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1341 ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' 1340 ' ' THR . 11.3 Cg_exo -70.96 -47.02 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.815 2.343 . . . . 0.0 112.654 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -48.37 -31.36 6.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.96 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.8 t -81.44 -48.08 12.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.63 0.253 . . . . 0.0 111.306 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.95 -28.83 58.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -68.93 -48.2 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1346 ' ' VAL . . . . . 0.433 HG13 ' HB3' ' A' 1359 ' ' ALA . 38.3 t -61.71 -33.39 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.189 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -72.33 -44.64 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.95 -37.15 83.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.761 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.476 HD12 ' HB1' ' A' 1359 ' ' ALA . 93.2 mt -74.75 -40.01 61.49 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.222 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 86.7 p -62.8 -15.31 53.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.152 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -101.0 11.8 58.89 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.638 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.3 mtp -99.9 -44.92 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.326 . . . . 0.0 110.974 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 168.83 -2.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.743 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.45 175.95 5.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 41.2 p -89.71 174.99 7.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.98 -25.98 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.49 -52.49 21.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.521 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.94 -32.48 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.25 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1359 ' ' ALA . . . . . 0.476 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -70.5 -47.51 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.859 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -57.81 -45.77 85.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -65.94 -49.22 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.068 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.34 -53.35 55.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.369 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' 1369 ' ' ASP . 9.0 mt -57.33 -59.33 5.29 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -45.3 -64.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.005 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -49.11 -55.78 11.17 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.956 0.785 . . . . 0.0 111.83 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.475 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 72.4 m -58.78 -10.16 2.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.684 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' 1366 ' ' CYS . 63.8 m-20 93.25 53.26 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 124.257 0.973 . . . . 0.0 109.063 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.471 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.0 m95 41.31 81.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.651 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.662 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 18.0 t70 -148.06 132.91 18.03 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1370 ' ' LEU . . . . . 0.577 HD12 HD13 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -55.58 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.664 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -49.69 -44.62 48.15 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.662 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -56.8 -39.23 73.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.766 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -64.88 -47.06 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.506 ' HB ' HG21 ' B' ' 70' ' ' VAL . 90.6 m -62.57 -55.8 23.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.946 0.403 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.56 ' HA ' HD12 ' A' 1378 ' ' LEU . 3.6 t30 -51.55 -34.08 35.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.497 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.514 ' O ' ' HB3' ' A' 1380 ' ' SER . 80.5 t80 -69.49 -61.7 1.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.75 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 76.8 mt -50.69 -32.72 20.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.445 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' 1375 ' ' ASN . 82.6 mt -61.95 -54.6 39.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -94.26 -68.13 0.82 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' 1376 ' ' PHE . 19.7 p 38.75 33.67 0.08 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.006 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.147 -179.9 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -134.98 154.11 51.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -129.94 170.41 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.031 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -129.58 103.85 7.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.329 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.0 t -88.39 112.32 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.823 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -100.83 121.29 41.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.311 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.462 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 67.3 p -85.17 145.05 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.435 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.577 HD13 HD12 ' A' 1370 ' ' LEU . 94.5 mt -68.27 -5.21 17.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.118 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -83.27 -20.93 33.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.952 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.0 51.45 0.64 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.635 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -144.06 145.0 31.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 55.5 m -110.09 130.06 55.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -119.88 129.69 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.398 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 31.4 m -109.34 112.84 25.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.672 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.505 HD11 HG12 ' B' ' 30' ' ' ILE . 37.5 mt -116.42 171.43 7.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.138 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -129.3 117.75 21.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.629 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.48 -171.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.38 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -128.28 172.12 11.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.1 m -75.97 -0.01 20.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.1 m -123.5 -6.71 8.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.81 145.0 56.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 35.4 p -88.32 178.42 6.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.518 HD12 HD13 ' B' ' 50' ' ' LEU . 47.7 mm -79.98 -54.69 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.253 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.81 -33.94 57.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -58.52 -43.54 89.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.028 0.442 . . . . 0.0 109.831 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.28 -40.17 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.371 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.59 ' HB3' HE21 ' B' ' 41' ' ' GLN . 31.2 mmtp -59.55 -39.61 84.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.017 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -65.56 -40.05 92.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.245 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -60.33 -40.71 91.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.457 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.505 HG12 HD11 ' B' ' 15' ' ' LEU . 66.3 mt -70.13 -34.81 60.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -68.59 -32.62 72.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.063 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -86.64 -23.25 25.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.525 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -90.46 -60.96 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.682 0.277 . . . . 0.0 111.373 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -89.88 -75.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.136 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.27 11.41 0.48 Allowed Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.361 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.499 HD12 ' N ' ' B' ' 36' ' ' ILE . 3.1 mp -69.06 134.26 89.66 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 117.093 0.447 . . . . 0.0 110.081 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.5 Cg_endo -52.09 126.05 19.12 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.537 2.158 . . . . 0.0 112.355 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 12.4 Cg_exo -70.76 -30.15 18.03 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.814 2.343 . . . . 0.0 112.683 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.59 -0.28 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.392 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -123.26 -35.55 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.513 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.59 HE21 ' HB3' ' B' ' 27' ' ' LYS . 14.1 pt20 -71.28 138.81 49.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.961 0.41 . . . . 0.0 111.298 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -138.91 133.36 31.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.443 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.555 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 77.7 mt -98.57 113.89 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.285 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.528 HD13 HD21 ' A' 1378 ' ' LEU . 16.8 mt -108.24 141.99 22.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.808 0.337 . . . . 0.0 110.804 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -133.22 129.32 37.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.991 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 18.92 4.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.338 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.87 -20.95 48.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.518 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -97.12 116.15 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.731 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.499 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 4.5 pm0 -61.76 155.62 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.518 HD13 HD12 ' B' ' 23' ' ' ILE . 55.7 mt -99.68 110.61 23.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.88 163.05 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.95 0.405 . . . . 0.0 111.503 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -82.87 147.01 28.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.686 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.53 -26.67 22.93 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.252 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.596 HH21 ' HB3' ' B' ' 58' ' ' ASP . 51.7 mtp180 -96.61 155.67 16.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.737 0.303 . . . . 0.0 110.695 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 65.0 p -93.25 -177.2 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.484 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 24.5 mt -77.62 -12.98 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.202 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -81.76 -25.23 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.247 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.596 ' HB3' HH21 ' B' ' 54' ' ' ARG . 15.0 m-20 -70.79 -16.72 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.331 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.1 2.0 12.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.161 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 56.17 89.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -122.43 121.89 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.094 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.11 -172.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.84 145.8 25.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 61.13 21.73 12.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -58.75 170.07 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.3 m -119.16 109.44 15.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.343 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.536 ' HB3' HD22 ' B' ' 43' ' ' LEU . 3.7 mm? -92.65 150.02 20.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.685 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -102.15 129.72 48.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 0.9 OUTLIER -99.6 103.77 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.436 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.506 HG21 ' HB ' ' A' 1374 ' ' THR . 9.3 p -117.13 148.92 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 tp -85.08 152.75 23.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.37 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -92.35 -12.18 33.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.493 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mp 65.01 170.45 0.2 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.28 -2.5 5.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.038 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.04 -40.71 1.38 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.54 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.762 0.315 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.436 ' O ' HD23 ' A' 1344 ' ' LEU . 2.9 t -128.76 137.34 30.74 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.16 -47.83 22.58 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.588 2.192 . . . . 0.0 112.414 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 95.7 mttt -47.18 -47.43 24.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.619 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1343 ' ' SER . . . . . 0.425 ' HB3' HG23 ' A' 1340 ' ' THR . 47.3 t -77.06 -32.73 57.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.346 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1344 ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' 1348 ' ' GLU . 2.2 mm? -59.53 -45.28 92.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.079 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.62 85.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.7 t -59.94 -39.76 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.258 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.82 -24.15 48.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1348 ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' 1344 ' ' LEU . 0.6 OUTLIER -81.15 -26.53 36.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.478 HD11 HD21 ' A' 1363 ' ' LEU . 56.8 mt -85.34 -27.47 25.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 83.5 p -63.18 -11.81 23.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -109.04 28.83 10.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.636 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 91.0 mtp -118.42 -37.56 3.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.606 0.241 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 158.47 13.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.892 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.71 171.6 13.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 74.5 p -85.8 -179.13 6.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.459 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.9 -39.12 66.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.25 -55.3 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -56.27 -30.36 62.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.489 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -73.38 -42.14 62.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.883 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -59.69 -48.17 82.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -65.67 -47.59 75.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.686 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.6 -49.69 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.381 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.744 ' HA ' ' HB2' ' A' 1373 ' ' ALA . 11.6 mt -63.95 -59.79 4.06 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.516 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -45.5 -64.0 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.536 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -50.8 -53.48 31.6 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 124.106 0.879 . . . . 0.0 111.862 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' 1367 ' ' ASN . 4.4 p -61.18 -7.58 2.85 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.601 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' 1366 ' ' CYS . 69.2 m-20 93.2 52.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.228 0.955 . . . . 0.0 109.572 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.5 m95 37.58 77.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.682 -1.145 . . . . 0.0 112.038 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 43.2 m-20 -152.49 136.05 16.05 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.244 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1370 ' ' LEU . . . . . 0.439 HD13 HD12 ' B' ' 8' ' ' LEU . 15.4 mt -60.46 -78.1 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.17 -40.43 15.86 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.554 ' HA ' ' OD1' ' A' 1375 ' ' ASN . . . -61.57 -50.72 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.095 0.474 . . . . 0.0 110.777 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1373 ' ' ALA . . . . . 0.744 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -63.27 -30.68 71.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.458 ' O ' ' HG ' ' A' 1378 ' ' LEU . 36.9 m -71.64 -55.65 7.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.72 ' HA ' HD12 ' A' 1378 ' ' LEU . 0.4 OUTLIER -56.23 -30.45 62.38 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' 1380 ' ' SER . 88.0 t80 -68.1 -57.5 5.98 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.808 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 60.7 mt -51.51 -34.61 36.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' 1375 ' ' ASN . 88.0 mt -57.01 -55.93 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -94.78 -68.28 0.81 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.483 ' HB3' ' O ' ' A' 1376 ' ' PHE . 25.0 p 41.37 -158.74 0.01 OUTLIER 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.851 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.015 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.76 0.314 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 20.0 pt20 -125.83 146.99 49.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.557 ' HB ' HD23 ' B' ' 67' ' ' LEU . 47.6 pt -128.38 159.97 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.985 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -123.46 105.87 10.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.471 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 11.0 t -71.84 148.4 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -135.86 107.11 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.311 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.418 HG22 ' HB3' ' B' ' 69' ' ' LEU . 66.8 p -86.38 147.44 26.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.439 HD12 HD13 ' A' 1370 ' ' LEU . 3.5 mm? -62.45 -21.93 65.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.721 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.5 p -67.9 -28.75 67.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.0 35.4 1.83 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -120.54 129.64 53.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.769 0.318 . . . . 0.0 110.744 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.7 m -105.32 127.79 53.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.471 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 28.4 mt -114.07 145.75 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -121.56 123.98 43.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.907 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.03 165.73 25.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.156 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 37.2 tt0 -123.72 105.82 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.0 m -109.49 -170.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.441 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -115.57 169.87 8.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.727 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.2 t -75.23 -32.75 61.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -95.92 10.47 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.72 143.14 53.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -92.65 155.94 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.3 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.505 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.5 mm -62.33 -45.73 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.188 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -52.21 -36.17 51.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.757 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -70.32 -35.54 73.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.829 179.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.89 -55.07 23.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.686 ' HG3' ' HG3' ' B' ' 41' ' ' GLN . 3.8 mptp? -55.07 -38.38 67.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.434 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -62.43 -49.91 73.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -56.5 -46.24 80.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.48 -40.58 86.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.335 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -62.45 -39.04 92.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -88.53 -6.64 57.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.581 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -106.45 -68.59 0.87 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.648 0.261 . . . . 0.0 111.585 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -78.31 -67.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.002 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.3 1.24 0.57 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.307 -0.949 . . . . 0.0 113.38 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.503 HD12 ' N ' ' B' ' 36' ' ' ILE . 4.0 mp -81.67 125.59 77.83 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 117.145 0.473 . . . . 0.0 110.583 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 32.2 Cg_exo -58.86 143.49 99.29 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.462 2.108 . . . . 0.0 112.554 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.551 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 11.6 Cg_exo -71.24 -43.76 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.018 2.478 . . . . 0.0 112.644 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.28 8.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.525 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.581 ' HB3' ' HA ' ' B' ' 72' ' ' ARG . 37.3 mt-30 -131.6 -20.1 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.273 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.686 ' HG3' ' HG3' ' B' ' 27' ' ' LYS . 29.0 pt20 -105.04 137.83 42.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 111.84 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.512 ' NE ' HD22 ' B' ' 71' ' ' LEU . 99.7 mtt180 -127.95 148.77 50.52 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.732 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.683 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 1.9 tp -97.72 132.59 43.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.044 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.568 HD11 HG11 ' B' ' 70' ' ' VAL . 71.3 mt -126.92 139.89 50.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 111.334 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -142.77 131.14 22.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.465 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.32 14.37 7.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.263 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.57 18.5 54.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.661 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -126.31 138.31 53.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.835 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -75.02 128.01 34.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.792 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' B' ' 43' ' ' LEU . 37.6 mt -86.63 105.58 16.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.746 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.65 153.74 27.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.505 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.6 m-20 -84.93 4.22 34.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.8 -4.93 58.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -128.89 177.37 7.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 46.4 p -103.82 -177.51 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.193 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.412 ' HB3' HD12 ' B' ' 61' ' ' ILE . 62.5 mt -69.03 -36.26 77.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.3 m -66.81 -23.78 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -64.36 -27.89 69.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.215 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -110.76 2.62 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.056 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 59.66 96.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.278 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' B' ' 56' ' ' LEU . 74.7 mt -124.08 129.07 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -77.89 -177.83 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.981 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -89.66 146.32 24.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.756 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 60.45 22.18 11.82 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.861 0.363 . . . . 0.0 110.575 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.4 m -65.97 170.38 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.983 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.1 m -112.36 104.99 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.392 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.557 HD23 ' HB ' ' B' ' 3' ' ' ILE . 4.4 mm? -89.74 154.13 20.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.51 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.4 m-70 -115.11 141.6 47.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.996 0.426 . . . . 0.0 111.711 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' B' ' 41' ' ' GLN . 8.6 tp -104.31 104.78 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.693 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.585 HG22 ' H ' ' B' ' 71' ' ' LEU . 1.3 p -111.95 172.3 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.777 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.585 ' H ' HG22 ' B' ' 70' ' ' VAL . 11.8 tp 88.52 -140.63 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 O-C-N 124.114 0.884 . . . . 0.0 111.03 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.581 ' HA ' ' HB3' ' B' ' 40' ' ' GLN . 8.3 mmm180 73.07 54.72 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.326 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 72.5 mt -128.13 -179.12 4.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.924 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -129.74 136.76 50.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.72 73.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.474 -179.89 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 58.7 p . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.802 0.334 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.417 HG23 ' HB2' ' A' 1343 ' ' SER . 2.9 t -111.03 141.9 25.16 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.257 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.31 -46.74 5.27 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.668 2.246 . . . . 0.0 112.398 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1342 ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' 1346 ' ' VAL . 60.9 mttp -46.29 -45.94 17.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.399 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1343 ' ' SER . . . . . 0.417 ' HB2' HG23 ' A' 1340 ' ' THR . 49.3 m -79.4 -31.68 42.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.155 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.5 -44.88 85.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.3 94.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 110.755 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1346 ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' 1342 ' ' LYS . 64.0 t -61.86 -36.88 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.8 -30.44 45.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -74.85 -24.59 58.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.132 0.492 . . . . 0.0 110.096 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.423 HD12 HD11 ' A' 1363 ' ' LEU . 81.0 mt -87.4 -14.87 39.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 70.1 m -69.8 -33.5 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.677 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -78.09 -10.27 86.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.472 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 94.2 mmm -70.92 -62.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 168.85 14.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.65 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1354 ' ' PHE . . . . . 0.41 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -137.76 159.82 40.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.85 0.357 . . . . 0.0 111.094 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.0 p -72.83 178.57 4.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.678 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -73.61 -30.04 62.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.422 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.21 -55.96 20.65 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.836 0.35 . . . . 0.0 110.773 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1358 ' ' GLU . . . . . 0.409 ' HB3' HD11 ' A' 1377 ' ' LEU . 17.9 mm-40 -56.62 -37.3 70.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -72.31 -28.91 63.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.611 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -66.76 -53.46 32.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.28 -43.63 85.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 0.0 110.481 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.05 65.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.314 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' 1369 ' ' ASP . 11.7 mt -61.63 -60.0 4.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.574 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -46.01 -64.9 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.868 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -49.31 -56.13 10.51 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 124.019 0.825 . . . . 0.0 111.867 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.463 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 76.5 m -54.27 -15.05 1.36 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.496 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' 1366 ' ' CYS . 14.1 t-20 97.27 49.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.387 1.054 . . . . 0.0 109.179 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.422 ' N ' ' O ' ' A' 1363 ' ' LEU . 95.4 m95 41.62 78.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.222 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.514 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 43.5 m-20 -145.18 137.23 25.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1370 ' ' LEU . . . . . 0.447 HD12 HD13 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -60.53 -73.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.966 -179.126 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.2 OUTLIER -49.45 -43.54 44.99 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.514 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -60.97 -40.53 93.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.828 0.347 . . . . 0.0 111.237 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -63.37 -55.09 27.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.713 HG21 HG21 ' B' ' 70' ' ' VAL . 26.9 m -54.83 -43.35 72.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.036 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.483 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.8 t30 -63.48 -29.99 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.043 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.478 ' HA ' ' HB2' ' A' 1380 ' ' SER . 38.5 t80 -68.32 -37.4 80.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.19 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1377 ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' 1358 ' ' GLU . 4.6 mm? -74.79 -24.8 58.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' 1375 ' ' ASN . 38.3 mt -80.64 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.448 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -88.78 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.416 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.478 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 57.9 m -57.47 174.91 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.962 0.411 . . . . 0.0 111.315 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.16 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.528 ' HG2' ' HG3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.66 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -107.26 168.38 9.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -143.36 141.69 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.924 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -108.96 93.16 4.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.476 HG22 ' HB2' ' B' ' 67' ' ' LEU . 70.8 t -90.86 104.78 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -89.06 143.47 26.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.427 HG22 HD23 ' B' ' 69' ' ' LEU . 70.7 p -103.76 159.34 15.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.552 HD11 HG13 ' B' ' 70' ' ' VAL . 92.0 mt -69.25 -15.45 63.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -77.65 -12.87 60.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.227 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.53 48.88 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.414 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -132.01 151.67 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.772 0.32 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -115.09 96.98 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.523 HD13 HG23 ' B' ' 30' ' ' ILE . 56.9 mt -85.28 110.15 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 74.5 m -99.6 121.79 41.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.29 172.86 11.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -127.86 112.47 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.39 -169.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.74 169.4 13.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.816 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 55.7 m -69.19 -24.29 64.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.9 m -97.54 10.08 40.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.55 152.8 31.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.9 p -107.75 163.43 13.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.43 HG22 ' HD3' ' B' ' 27' ' ' LYS . 44.9 mm -61.33 -47.34 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -50.47 -44.11 55.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.31 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -59.39 -45.97 89.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.32 -40.84 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.503 ' HE3' ' HB2' ' B' ' 43' ' ' LEU . 5.8 mmmm -61.51 -45.83 92.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.602 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 68.4 m -60.75 -42.61 97.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -58.81 -47.22 85.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.86 0.362 . . . . 0.0 110.524 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.523 HG23 HD13 ' B' ' 13' ' ' ILE . 59.5 mt -65.16 -30.96 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.562 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -73.93 -28.36 61.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.114 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -87.32 -22.25 25.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.056 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -87.89 -67.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.18 -69.96 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.635 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.14 3.57 0.88 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.569 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.421 HG22 ' HB3' ' B' ' 41' ' ' GLN . 32.0 mm -60.83 113.24 7.2 Favored Pre-proline 0 CA--C 1.533 0.295 0 O-C-N 122.982 -0.128 . . . . 0.0 110.8 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.51 155.14 5.46 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.558 2.172 . . . . 0.0 112.739 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.428 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 61.3 Cg_endo -72.69 -41.97 1.36 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.694 2.262 . . . . 0.0 112.631 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 6.4 m-20 -72.37 9.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.199 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.546 ' HG3' ' HG ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER -126.12 -45.03 1.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.543 -179.517 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.745 ' HB2' HD11 ' B' ' 69' ' ' LEU . 4.3 pt20 -66.33 134.68 53.09 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.567 ' HD2' ' HA ' ' B' ' 72' ' ' ARG . 78.1 mtp180 -129.1 121.96 28.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.361 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.503 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 6.3 tp -89.19 120.77 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.959 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.8 mt -127.35 143.49 40.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.419 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -149.87 128.33 12.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.759 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.22 22.65 12.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.85 -7.4 80.2 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.651 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -91.16 139.82 30.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 111.058 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.24 107.43 15.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' B' ' 43' ' ' LEU . 85.8 mt -67.0 104.92 1.49 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -78.44 138.67 38.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 7.2 m-20 -75.27 113.61 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.63 -33.22 0.9 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -103.99 169.1 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -83.02 175.35 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.457 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.416 ' HB3' HD12 ' B' ' 61' ' ' ILE . 40.8 mt -71.6 -31.54 67.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.034 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -68.25 -25.69 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.44 -33.75 74.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -105.58 8.63 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 49.8 t30 59.01 91.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.248 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' B' ' 56' ' ' LEU . 64.7 mt -127.31 119.58 52.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -75.27 -173.81 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.528 ' HG3' ' HG2' ' B' ' 1' ' ' MET . 4.8 mptp? -87.22 142.03 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 58.28 24.34 11.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -59.95 169.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.1 m -109.46 106.88 16.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.289 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.476 ' HB2' HG22 ' B' ' 5' ' ' VAL . 7.5 mp -101.39 168.35 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.25 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -127.94 153.22 46.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 111.079 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.745 HD11 ' HB2' ' B' ' 41' ' ' GLN . 12.8 tp -122.86 114.3 20.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.188 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.713 HG21 HG21 ' A' 1374 ' ' THR . 44.7 t -117.65 155.4 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 111.561 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.546 ' HG ' ' HG3' ' B' ' 40' ' ' GLN . 0.9 OUTLIER -89.49 135.99 33.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.862 179.188 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.567 ' HA ' ' HD2' ' B' ' 42' ' ' ARG . 25.1 mmm180 -50.78 -71.9 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.634 0.254 . . . . 0.0 110.471 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 tp -179.09 157.68 0.86 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.761 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -113.16 13.76 19.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.92 85.69 0.1 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.266 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.527 -179.915 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1339 ' ' THR . . . . . 0.4 ' O ' ' HG ' ' A' 1344 ' ' LEU . 7.7 m . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.555 0.217 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.512 HG23 ' HB2' ' A' 1343 ' ' SER . 0.0 OUTLIER 38.57 99.12 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.363 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.397 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1341 ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' 1340 ' ' THR . 8.3 Cg_endo -50.09 -49.81 15.16 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.948 2.432 . . . . 0.0 112.469 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -49.46 -39.46 33.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1343 ' ' SER . . . . . 0.512 ' HB2' HG23 ' A' 1340 ' ' THR . 48.9 m -81.27 -29.92 34.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.012 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1344 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 1339 ' ' THR . 31.5 mt -58.02 -38.89 77.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.756 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.08 90.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 38.8 t -67.96 -32.17 55.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.822 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -74.32 -37.55 63.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.34 -48.12 65.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.401 HD12 ' HB1' ' A' 1359 ' ' ALA . 90.9 mt -62.09 -38.64 89.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 46.9 t -61.18 -22.54 64.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -98.29 31.35 8.12 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.283 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 85.9 mtp -122.46 -68.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 0.0 110.97 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -167.15 11.74 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.762 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.47 171.09 14.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.796 0.332 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.3 p -88.13 177.29 6.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -73.11 -27.0 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.95 -60.5 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1358 ' ' GLU . . . . . 0.406 ' HB3' HD11 ' A' 1377 ' ' LEU . 47.3 mt-10 -55.89 -33.65 64.81 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.694 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1359 ' ' ALA . . . . . 0.401 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -67.94 -43.72 78.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -60.16 -53.35 58.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.105 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -59.31 -43.85 92.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.15 77.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.366 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' 1368 ' ' TRP . 5.5 mt -61.37 -59.52 5.15 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 111.077 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.59 -64.25 0.77 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.889 -178.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 99.8 mttt -51.12 -52.66 41.67 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.882 0.739 . . . . 0.0 111.64 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' 1367 ' ' ASN . 95.8 m -60.27 -9.07 2.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.694 0.283 . . . . 0.0 110.325 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' 1366 ' ' CYS . 18.1 t-20 92.53 53.63 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.142 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.487 ' N ' ' O ' ' A' 1363 ' ' LEU . 72.0 m95 39.65 77.44 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.647 -178.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.489 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 37.1 m-20 -146.09 126.49 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.103 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1370 ' ' LEU . . . . . 0.482 ' HG ' HD13 ' B' ' 8' ' ' LEU . 31.0 tp -61.48 -65.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.401 ' OE2' ' HB3' ' A' 1369 ' ' ASP . 0.3 OUTLIER -50.96 -37.69 46.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.667 0.27 . . . . 0.0 111.072 -179.425 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -69.64 -35.67 75.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.424 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1373 ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -62.36 -49.84 73.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.167 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.613 HG21 HG21 ' B' ' 70' ' ' VAL . 31.8 m -58.84 -44.77 91.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.443 ' HA ' HD12 ' A' 1378 ' ' LEU . 1.6 t30 -60.95 -26.07 67.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.072 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' 1373 ' ' ALA . 45.3 t80 -70.52 -49.62 46.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.116 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1377 ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' 1358 ' ' GLU . 4.0 mm? -67.68 -19.99 65.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.476 HD11 HD11 ' B' ' 44' ' ' ILE . 76.5 mt -82.06 -61.14 1.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.13 -63.82 1.17 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.389 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 44.3 m -52.35 161.57 0.64 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.081 -179.865 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -128.85 157.01 42.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 111.032 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -131.69 137.87 54.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -102.77 94.45 5.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.538 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 70.9 t -75.07 147.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.955 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -135.48 109.98 8.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.105 0.479 . . . . 0.0 111.385 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.475 HG22 HD23 ' B' ' 69' ' ' LEU . 66.5 p -82.44 155.49 24.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.293 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.482 HD13 ' HG ' ' A' 1370 ' ' LEU . 90.2 mt -77.6 6.9 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -104.12 6.92 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.8 54.65 4.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -143.87 125.15 14.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 111.074 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -96.95 136.69 37.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.753 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 36.1 mt -128.58 98.97 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.147 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 34.1 m -87.57 112.73 22.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.401 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.527 HD11 ' HE3' ' B' ' 29' ' ' LYS . 42.4 tp -112.31 152.18 28.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.229 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -113.28 110.6 20.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.39 -170.84 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -123.28 -178.64 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -75.95 -25.76 56.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -90.87 11.24 23.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.074 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.16 145.45 28.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.708 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.436 ' O ' HG23 ' B' ' 26' ' ' VAL . 71.3 p -108.81 158.07 17.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.88 0.371 . . . . 0.0 111.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.71 -44.03 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.374 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -56.26 -32.66 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.049 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -78.85 -34.22 45.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 22' ' ' THR . 91.6 t -58.8 -53.74 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.337 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.443 ' HG3' ' HG3' ' B' ' 41' ' ' GLN . 5.5 mptp? -53.31 -38.58 63.31 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.2 m -64.09 -47.66 79.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.405 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.527 ' HE3' HD11 ' B' ' 15' ' ' LEU . 29.7 mtpp -60.22 -36.71 78.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.543 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.7 mt -72.56 -29.03 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.68 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -72.44 -36.78 68.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.747 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.52 -9.36 54.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -98.65 -36.93 9.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.068 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -116.28 -76.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.016 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.7 0.51 0.27 Allowed Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.163 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.493 HD12 ' N ' ' B' ' 36' ' ' ILE . 3.1 mp -66.45 133.63 94.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.833 0.317 . . . . 0.0 110.415 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.22 131.07 43.6 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.282 1.988 . . . . 0.0 112.046 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.536 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 70.1 Cg_endo -74.84 -42.59 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.572 2.181 . . . . 0.0 112.894 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -71.42 4.61 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.578 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.409 ' HG2' ' HB3' ' B' ' 71' ' ' LEU . 52.5 tt0 -124.79 -38.31 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.67 ' HB2' HD11 ' B' ' 69' ' ' LEU . 28.9 pt20 -75.4 143.79 42.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.408 ' O ' HD12 ' B' ' 69' ' ' LEU . 81.7 mtt180 -140.93 141.87 34.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.581 ' HB3' HD12 ' B' ' 50' ' ' LEU . 6.2 mt -86.18 144.44 27.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.477 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.552 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 55.1 mt -135.96 130.84 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.783 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.441 ' HB3' HD21 ' B' ' 50' ' ' LEU . 70.2 t80 -142.32 130.52 22.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.39 19.44 7.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.16 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.0 25.76 39.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.57 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -128.27 144.83 51.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.22 108.83 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.265 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' B' ' 43' ' ' LEU . 23.9 mt -64.86 99.51 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.119 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.32 146.28 29.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.46 129.76 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.782 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.43 -22.45 11.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.57 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -91.69 160.41 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 30.4 p -83.95 165.0 19.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.12 -32.89 74.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.6 p -66.79 -21.62 66.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.19 -6.93 26.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.482 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.9 m-85 -126.88 11.38 7.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.12 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 58.51 25.66 13.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.232 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.482 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.5 mt -57.2 126.08 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -83.23 171.78 13.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -80.89 141.47 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 58.06 19.9 6.41 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.5 t -71.17 157.09 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.9 m -95.22 121.94 37.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.054 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.78 145.15 39.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.658 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.552 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 19.4 m-70 -95.37 136.02 36.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' B' ' 41' ' ' GLN . 43.0 tp -117.7 118.38 31.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.726 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.613 HG21 HG21 ' A' 1374 ' ' THR . 43.8 t -129.62 148.86 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.409 ' HB3' ' HG2' ' B' ' 40' ' ' GLN . 59.7 mt -78.31 162.92 26.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.175 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -94.72 -27.9 15.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.821 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.6 mt 66.23 112.19 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.246 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -89.14 127.74 35.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.619 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.58 91.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.139 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.459 -179.878 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 3.9 t -75.75 143.84 75.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.217 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.28 -48.69 5.71 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.76 2.307 . . . . 0.0 112.753 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -46.16 -45.45 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.793 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 60.2 m -74.24 -34.83 63.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 0.0 110.827 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.68 -30.85 71.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.41 71.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 47.5 t -61.82 -35.71 69.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.046 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -74.73 -37.59 62.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -24.84 61.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 110.337 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.488 HD12 HD11 ' A' 1363 ' ' LEU . 81.1 mt -87.23 -30.12 21.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.272 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1350 ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' 1354 ' ' PHE . 47.5 t -66.92 -11.25 55.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.067 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.53 15.22 56.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.705 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1352 ' ' MET . . . . . 0.47 ' HA ' ' NE2' ' B' ' 68' ' ' HIS . 70.4 mtp -102.02 -43.13 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.57 0.224 . . . . 0.0 111.189 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1353 ' ' GLY . . . . . 0.409 ' H ' ' H ' ' A' 1354 ' ' PHE . . . 161.9 6.95 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.849 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1354 ' ' PHE . . . . . 0.444 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -133.6 151.58 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.7 p -62.98 174.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.491 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.74 -27.71 63.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.45 -56.2 15.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.654 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1358 ' ' GLU . . . . . 0.452 ' HB3' HD11 ' A' 1377 ' ' LEU . 10.6 mm-40 -54.09 -37.79 64.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -70.88 -36.55 72.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -62.68 -56.74 14.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -58.85 -48.55 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.32 64.0 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.539 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.488 HD11 HD12 ' A' 1349 ' ' LEU . 11.1 mt -57.87 -59.23 5.56 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.415 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -46.04 -64.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.041 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -50.71 -52.74 37.43 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 124.173 0.92 . . . . 0.0 111.765 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.441 ' O ' ' CB ' ' A' 1367 ' ' ASN . 94.1 m -56.09 -14.09 2.43 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' 1366 ' ' CYS . 19.1 t-20 94.48 51.45 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 108.832 179.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1368 ' ' TRP . . . . . . . . . . . . . 82.0 m95 40.05 80.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.317 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.617 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 16.3 t70 -148.13 138.42 22.75 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.706 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.9 -75.76 0.07 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' B' ' 73' ' ' LEU . 13.2 pt-20 -48.8 -38.71 22.81 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -63.33 -42.69 98.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.814 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.15 73.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.718 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.467 ' O ' ' HG ' ' A' 1378 ' ' LEU . 76.3 m -59.54 -51.26 70.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.981 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.553 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.9 t30 -55.95 -28.35 56.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.16 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 20.9 t80 -66.78 -59.76 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.124 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1377 ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' 1358 ' ' GLU . 4.2 mm? -53.49 -19.59 3.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.628 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' 1375 ' ' ASN . 17.1 mt -90.82 -46.65 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.658 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -93.4 -53.03 4.24 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 19.3 p -43.14 -41.14 3.56 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.539 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.104 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptm . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.777 0.323 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -131.75 159.96 36.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.549 ' HB ' HD13 ' B' ' 67' ' ' LEU . 38.8 pt -137.32 154.32 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.988 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -111.55 95.2 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 73.4 t -68.66 131.93 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -121.83 101.91 7.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.491 HG22 ' HB3' ' B' ' 69' ' ' LEU . 72.3 p -84.35 152.71 23.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.402 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.66 -17.89 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -75.51 -4.21 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.735 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.82 49.37 4.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.437 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 39.1 ttmt -128.46 133.37 48.5 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 111.102 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.8 m -107.83 98.16 7.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.502 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 13.7 mt -96.13 113.18 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.602 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 38.4 m -90.24 123.2 33.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.583 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.5 tp -121.6 145.68 47.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.357 . . . . 0.0 111.355 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -113.76 100.48 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.885 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.7 m -115.45 -174.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.707 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -110.76 175.05 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.4 p -76.2 -32.47 59.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 44.3 t -79.48 -3.47 46.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.01 140.16 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 77.4 p -96.19 170.54 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.38 -48.73 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -51.74 -42.34 62.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.373 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.03 -48.29 82.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -52.81 -45.62 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -56.12 -41.11 74.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.37 . . . . 0.0 110.717 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.1 m -63.74 -50.6 68.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.094 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -53.68 -41.58 67.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -73.52 -28.69 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.958 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -65.27 -42.4 93.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -86.51 -14.69 42.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.126 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.67 -53.29 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -103.65 -65.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.15 6.1 0.68 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.766 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.493 HG22 ' HB3' ' B' ' 41' ' ' GLN . 42.0 mm -64.14 125.79 88.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.596 0.198 . . . . 0.0 110.77 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.504 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 13.2 Cg_endo -56.98 149.07 64.23 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.38 2.054 . . . . 0.0 112.209 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.514 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 90.2 Cg_endo -77.98 -42.5 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.679 2.253 . . . . 0.0 112.983 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -70.58 4.01 2.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.504 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 78.2 mm-40 -121.15 -54.58 2.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.62 ' HB2' HD21 ' B' ' 69' ' ' LEU . 3.6 pt20 -53.18 135.18 38.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.676 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -138.39 120.05 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.714 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.529 ' HB3' HD12 ' B' ' 50' ' ' LEU . 3.5 mt -80.05 135.29 36.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.103 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.419 HD11 HD11 ' A' 1378 ' ' LEU . 32.9 mt -135.95 141.43 41.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 120.921 0.391 . . . . 0.0 111.129 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -156.13 139.94 16.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.756 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.15 14.03 7.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.266 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.58 3.91 77.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.921 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -121.24 141.32 51.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -69.98 131.41 44.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.995 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' B' ' 43' ' ' LEU . 65.7 mt -83.15 99.39 9.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.465 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.93 159.44 7.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.046 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -87.39 145.95 26.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.038 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.22 -42.57 1.86 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -74.16 162.96 28.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 46.1 p -91.97 -177.9 4.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.543 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.461 ' HA ' HD12 ' B' ' 61' ' ' ILE . 54.5 mt -76.21 -33.71 59.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.139 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -68.36 -21.44 64.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.002 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -68.31 -14.95 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.401 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.4 m-85 -120.59 16.99 12.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.328 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.4 m120 58.71 21.6 9.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.367 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' B' ' 56' ' ' LEU . 71.7 mt -59.18 106.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.0 110.973 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -69.84 -173.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.0 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -84.02 149.93 25.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 43.78 29.24 0.28 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.498 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.1 m -68.74 159.62 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.451 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 35.3 m -95.06 107.98 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 111.246 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.549 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.4 mp -101.96 165.25 11.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.498 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.47 ' NE2' ' HA ' ' A' 1352 ' ' MET . 48.5 m-70 -122.32 157.1 32.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.992 0.425 . . . . 0.0 111.209 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' B' ' 41' ' ' GLN . 2.4 tm? -139.05 103.85 4.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.518 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.34 144.44 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.65 156.55 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -56.3 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.42 ' HA ' ' OE1' ' A' 1371 ' ' GLU . 0.1 OUTLIER -177.39 32.23 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 56.96 92.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.42 85.21 1.08 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.451 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.522 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.972 0.415 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.83 116.81 10.87 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.899 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.53 -49.56 4.29 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.482 2.122 . . . . 0.0 112.991 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 62.3 mttp -48.73 -48.27 40.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.781 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 38.9 t -83.46 -29.19 28.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.427 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.93 -46.33 89.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -59.39 -45.61 91.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 42.0 t -62.13 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.279 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.07 -27.57 65.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -81.15 -27.61 35.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.137 0.494 . . . . 0.0 110.029 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.477 HD12 HD11 ' A' 1363 ' ' LEU . 74.6 mt -83.48 -20.75 33.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.011 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 96.3 p -70.34 -26.97 64.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -83.93 -2.01 89.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.306 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.0 mmm -79.32 -61.46 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 171.32 13.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.701 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.18 161.89 35.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.96 0.41 . . . . 0.0 111.215 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.3 p -69.62 175.77 3.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.642 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.69 -26.11 60.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.202 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -59.33 3.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -54.77 -35.99 64.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.3 76.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.0 -53.28 59.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.808 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -62.41 -46.24 89.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.759 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.0 75.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.527 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.477 HD11 HD12 ' A' 1349 ' ' LEU . 12.1 mt -63.62 -59.25 4.86 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.134 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -45.7 -64.25 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.649 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1365 ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' A' 1365 ' ' LYS . 4.1 mmmp? -50.54 -53.94 26.33 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.913 0.758 . . . . 0.0 111.794 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' 1367 ' ' ASN . 1.8 p -58.0 -10.22 1.72 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.459 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' 1366 ' ' CYS . 67.3 m-20 93.83 49.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 O-C-N 124.284 0.99 . . . . 0.0 109.334 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' 1363 ' ' LEU . 79.2 m95 39.28 72.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.434 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.496 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 41.7 m-20 -140.48 142.86 35.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.691 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -77.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.412 ' HG2' HD22 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -47.87 -40.46 21.65 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.736 -178.853 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -61.93 -41.97 98.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.048 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1373 ' ' ALA . . . . . 0.453 ' HB2' HD23 ' A' 1363 ' ' LEU . . . -61.36 -53.27 58.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.797 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.603 HG21 HG21 ' B' ' 70' ' ' VAL . 40.3 m -54.14 -43.18 70.3 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.598 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.8 t30 -64.2 -28.81 70.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.01 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 28.0 t80 -67.65 -39.36 84.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.937 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.34 -23.54 61.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' 1375 ' ' ASN . 26.1 mt -82.12 -63.8 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.181 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.3 -66.82 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.409 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 74.1 m -57.23 171.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.099 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -101.35 144.35 30.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 pt -131.04 151.58 36.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -122.82 101.36 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.154 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.543 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.4 t -87.53 140.02 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.483 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -127.8 133.02 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.413 . . . . 0.0 111.732 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.422 HG22 HD23 ' B' ' 69' ' ' LEU . 56.6 p -101.37 146.89 27.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.21 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.435 HD22 ' H ' ' B' ' 8' ' ' LEU . 2.6 mm? -58.52 -28.15 65.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.693 0.282 . . . . 0.0 111.289 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.9 m -63.56 -27.4 69.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.371 . . . . 0.0 110.716 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.36 59.42 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.303 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -141.58 141.17 33.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.036 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.7 m -104.99 144.56 31.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.543 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 28.9 mt -136.55 104.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.231 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -92.27 119.94 32.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.658 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 tp -127.83 146.76 50.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 111.573 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -101.56 95.66 6.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.239 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.3 m -109.17 -170.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.485 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -132.75 163.28 29.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.668 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.2 t -76.04 -18.05 59.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.114 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.0 t -93.91 3.14 55.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -86.68 166.69 15.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.609 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.412 ' O ' HG23 ' B' ' 26' ' ' VAL . 70.2 p -107.72 171.53 7.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.925 0.393 . . . . 0.0 111.345 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.445 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 44.2 mm -69.79 -53.97 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.269 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 15.8 t70 -49.25 -32.81 11.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.58 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -70.48 -41.35 72.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 22' ' ' THR . 90.5 t -61.88 -40.8 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.525 ' HE3' ' HG ' ' B' ' 43' ' ' LEU . 1.8 mmmm -58.39 -45.16 88.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.681 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -63.04 -46.88 85.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.663 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -55.28 -38.49 68.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.835 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.55 -31.52 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -66.82 -37.81 85.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.29 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -82.16 -18.21 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.948 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -85.37 -66.91 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.58 -71.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.009 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.08 26.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.798 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.0 mm -89.76 130.88 41.4 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.493 0.147 . . . . 0.0 110.627 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.5 Cg_endo -63.66 135.97 51.58 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.394 2.062 . . . . 0.0 112.39 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.523 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 7.4 Cg_exo -72.54 -33.15 8.93 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.785 2.324 . . . . 0.0 112.429 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.03 -6.16 21.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.249 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -117.34 -60.87 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.147 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.0 pt20 -50.74 143.26 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.746 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -138.68 125.0 20.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.337 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.525 ' HG ' ' HE3' ' B' ' 27' ' ' LYS . 22.7 mt -79.4 131.51 36.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.169 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.484 HD11 HD11 ' A' 1378 ' ' LEU . 54.6 mt -133.28 144.89 34.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.998 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -157.72 140.79 15.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.89 19.31 10.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.331 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.04 1.61 89.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.556 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -119.06 134.54 55.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.734 0.302 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.421 ' HB2' HD22 ' A' 1378 ' ' LEU . 28.1 tt0 -72.5 147.09 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.659 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -98.65 122.07 41.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.077 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.69 151.22 34.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.454 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 17.4 m-20 -84.65 15.93 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.358 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.92 1.86 21.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.693 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -132.58 170.88 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.5 p -89.94 -175.33 4.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.606 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.3 mt -78.07 -31.87 50.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.257 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 61.3 m -70.52 -24.68 62.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.611 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.9 -19.45 65.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.23 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -115.03 9.1 15.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.012 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 57.95 91.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -129.54 113.65 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.822 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 29.6 pt20 -77.13 -179.53 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -79.67 152.47 29.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 58.65 19.69 7.01 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 79.8 p -63.82 159.39 19.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -107.08 105.16 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -91.36 156.27 17.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.666 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -112.82 145.81 39.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' B' ' 41' ' ' GLN . 10.1 tp -119.87 108.95 14.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.425 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.603 HG21 HG21 ' A' 1374 ' ' THR . 19.3 t -117.32 134.67 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.902 0.382 . . . . 0.0 111.468 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.427 HD22 ' N ' ' B' ' 71' ' ' LEU . 3.7 mm? -73.6 143.32 46.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.7 -36.12 73.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.604 ' HG ' ' H ' ' B' ' 74' ' ' ARG . 8.1 tp 58.82 -173.98 0.1 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.677 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.604 ' H ' ' HG ' ' B' ' 73' ' ' LEU . 58.2 ttp180 65.66 141.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.424 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.91 92.6 0.11 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.574 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.53 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.516 HG23 ' HB3' ' A' 1343 ' ' SER . 2.0 t -75.96 139.58 69.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.13 -38.36 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.578 2.185 . . . . 0.0 112.665 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -53.11 -34.55 57.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.912 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1343 ' ' SER . . . . . 0.516 ' HB3' HG23 ' A' 1340 ' ' THR . 38.8 t -83.49 -35.46 24.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.053 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 48.1 mt -57.4 -45.57 84.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.212 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.02 78.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.946 0.403 . . . . 0.0 110.939 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.2 t -57.32 -43.82 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.294 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -64.25 -48.9 73.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -26.2 66.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.851 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.444 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 76.8 mt -86.59 -29.68 22.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 48.0 t -67.15 -10.22 47.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -107.68 36.03 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.838 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 42.8 ttm -124.85 -37.39 2.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.31 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 159.85 14.38 0.04 OUTLIER Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.817 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1354 ' ' PHE . . . . . 0.444 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -144.51 164.8 29.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 111.088 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 69.9 p -82.33 179.83 7.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.677 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -70.41 -29.24 65.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.54 -57.49 9.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -54.46 -42.13 70.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.45 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.96 -30.69 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -64.24 -51.79 61.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.738 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -63.31 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.4 -52.19 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.237 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' 1368 ' ' TRP . 14.7 mt -59.79 -60.17 4.26 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.498 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -45.5 -64.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.192 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1365 ' ' LYS . . . . . 0.41 ' C ' ' H ' ' A' 1367 ' ' ASN . 67.0 mttm -51.95 -52.35 50.82 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.9 0.75 . . . . 0.0 111.533 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.518 ' O ' ' HB2' ' A' 1367 ' ' ASN . 94.5 m -61.3 -6.39 2.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.593 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' 1366 ' ' CYS . 48.7 m-80 90.77 53.98 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.259 0.975 . . . . 0.0 109.342 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' 1363 ' ' LEU . 80.3 m95 40.98 37.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.935 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.46 ' O ' HD23 ' A' 1363 ' ' LEU . 28.3 m-20 -100.63 128.96 46.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.273 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.71 -71.58 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.404 ' OE1' ' HB3' ' A' 1369 ' ' ASP . 0.0 OUTLIER -47.85 -38.45 16.11 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.61 0.243 . . . . 0.0 111.329 -179.02 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.438 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -65.7 -42.18 91.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.045 0.45 . . . . 0.0 110.308 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1373 ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -60.36 -46.65 89.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.347 179.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.529 HG21 HG21 ' B' ' 70' ' ' VAL . 38.0 m -58.12 -49.02 78.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.476 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.2 t30 -58.99 -26.58 64.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.074 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.485 ' HA ' ' HB2' ' A' 1380 ' ' SER . 32.1 t80 -70.22 -42.52 72.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.966 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.12 -18.74 62.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.146 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.591 HD22 ' HB2' ' B' ' 49' ' ' GLN . 47.8 mt -87.36 -62.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.816 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -93.42 -58.14 2.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.485 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 61.5 m -54.67 -11.66 0.62 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.876 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.048 179.695 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.505 ' HG3' ' HG3' ' B' ' 63' ' ' LYS . 27.2 ttt . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -122.1 163.38 19.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -137.49 145.97 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.75 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.95 96.7 6.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.375 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 69.7 t -74.55 128.56 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.614 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -105.12 95.08 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.624 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.588 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 45.4 p -75.29 143.39 42.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.683 0.278 . . . . 0.0 110.3 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.429 HD11 HG22 ' B' ' 70' ' ' VAL . 87.4 mt -67.71 -7.61 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.024 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.4 p -85.06 -4.11 59.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.54 45.27 5.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.336 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' B' ' 12' ' ' THR . 7.2 tmtm? -137.35 127.92 26.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.012 0.434 . . . . 0.0 110.969 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.452 ' N ' ' HD3' ' B' ' 11' ' ' LYS . 70.2 m -101.08 107.12 18.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.635 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 55.9 mt -94.87 119.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.476 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -99.0 112.92 24.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.373 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -118.94 142.63 47.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.756 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -96.27 105.89 18.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.946 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 22.8 m -123.73 -176.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.428 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.55 159.01 35.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.665 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -72.62 -2.04 18.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.4 m -95.76 -18.1 20.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.27 141.81 45.31 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 49.7 p -80.71 162.64 24.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.77 -51.0 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -57.38 -35.87 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.288 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -63.07 -39.13 93.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.0 -49.28 83.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.313 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.407 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 2.1 mptm? -52.18 -45.52 65.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.4 t -61.39 -47.67 84.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.427 ' NZ ' ' HB3' ' B' ' 29' ' ' LYS . 7.2 mtpm? -57.67 -34.37 69.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.12 -40.07 74.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.627 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.2 -37.3 84.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.556 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -80.84 -17.26 51.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -84.88 -68.11 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.39 -74.97 0.51 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.4 31.6 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.108 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.456 HD12 ' N ' ' B' ' 36' ' ' ILE . 4.4 mp -104.27 113.31 65.31 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.811 0.305 . . . . 0.0 110.701 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.409 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 51.1 Cg_exo -53.83 150.26 30.43 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.371 2.047 . . . . 0.0 112.257 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.09 -43.16 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.721 2.281 . . . . 0.0 112.985 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.93 8.38 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.98 0.419 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.691 ' O ' ' HB3' ' B' ' 71' ' ' LEU . 82.5 mm-40 -123.18 -10.64 8.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.999 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.588 ' HB2' HD11 ' B' ' 69' ' ' LEU . 28.1 pt20 -126.87 138.39 53.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.185 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -127.46 131.87 50.11 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.381 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.407 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 33.5 mt -81.43 141.31 34.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.079 0.466 . . . . 0.0 112.033 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.563 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 78.7 mt -132.97 137.33 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.09 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.95 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.509 ' HB2' HD22 ' B' ' 67' ' ' LEU . 72.2 t80 -147.56 129.61 15.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.81 23.26 13.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.208 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.41 16.6 77.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.56 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -122.63 127.76 49.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.591 ' HB2' HD22 ' A' 1378 ' ' LEU . 50.8 tp60 -72.11 125.45 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.789 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.81 104.64 5.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.538 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.73 137.24 55.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.62 123.56 22.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.993 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.83 -42.03 1.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.79 178.94 8.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 110.765 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 55.5 p -101.54 -176.27 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 mt -80.67 -11.86 59.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.05 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -81.14 -23.56 38.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.452 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.2 -6.46 34.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.71 0.29 . . . . 0.0 111.41 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.427 ' HB2' HG13 ' B' ' 61' ' ' ILE . 87.5 m-85 -128.02 13.8 6.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 57.61 19.98 5.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.451 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.427 HG13 ' HB2' ' B' ' 59' ' ' TYR . 72.5 mt -59.69 104.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.847 0.356 . . . . 0.0 110.598 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -84.18 -164.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.273 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.505 ' HG3' ' HG3' ' B' ' 1' ' ' MET . 1.5 mptm? -82.07 149.98 27.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 58.82 17.66 5.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.338 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -63.78 134.55 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 93.5 m -86.35 104.96 16.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' B' ' 45' ' ' PHE . 29.0 mt -95.86 172.1 8.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.484 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.563 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 45.7 m80 -124.99 157.3 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.796 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.588 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 1.2 tm? -123.29 108.02 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.928 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.549 ' O ' ' HB2' ' B' ' 71' ' ' LEU . 39.6 t -142.96 139.97 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.691 ' HB3' ' O ' ' B' ' 40' ' ' GLN . 0.3 OUTLIER 166.54 -134.04 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.862 0.726 . . . . 0.0 109.835 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' B' ' 40' ' ' GLN . 9.2 mmm180 65.54 50.85 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -137.98 102.05 4.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 55.74 -87.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.322 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 110.95 7.7 24.92 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.326 -1.264 . . . . 0.0 112.525 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.68 0.276 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1340 ' ' THR . . . . . 0.541 HG23 ' HB2' ' A' 1343 ' ' SER . 1.2 t -67.41 145.41 98.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.938 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.78 -40.67 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.792 2.328 . . . . 0.0 112.866 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1342 ' ' LYS . . . . . 0.541 ' O ' HG23 ' A' 1346 ' ' VAL . 59.5 mttp -53.59 -46.74 70.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.69 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1343 ' ' SER . . . . . 0.541 ' HB2' HG23 ' A' 1340 ' ' THR . 63.6 m -64.64 -42.04 95.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.379 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 75.8 mt -54.91 -38.01 67.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -69.48 -41.09 76.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1346 ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' 1356 ' ' GLU . 0.7 OUTLIER -66.03 -32.89 60.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.405 -179.306 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -70.67 -47.28 60.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.306 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.86 -42.03 78.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.389 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1349 ' ' LEU . . . . . 0.475 HD12 HD11 ' A' 1363 ' ' LEU . 79.1 mt -71.12 -20.34 62.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.962 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1350 ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' 1354 ' ' PHE . 35.9 t -77.53 -10.82 59.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.632 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -96.22 -0.95 61.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 25.9 mtt -92.95 -75.83 0.48 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.756 0.313 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -163.99 8.7 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1354 ' ' PHE . . . . . 0.503 ' HB2' ' HB2' ' A' 1358 ' ' GLU . 0.3 OUTLIER -138.28 126.24 22.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.874 0.369 . . . . 0.0 110.898 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.8 p -59.42 178.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.264 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1356 ' ' GLU . . . . . 0.725 ' HA ' HG12 ' A' 1346 ' ' VAL . 1.1 mp0 -62.72 -16.0 55.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.531 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.95 -63.81 1.1 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.024 0.44 . . . . 0.0 110.236 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1358 ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' 1354 ' ' PHE . 40.7 mt-10 -56.17 -32.21 64.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.906 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1359 ' ' ALA . . . . . 0.406 ' O ' HD12 ' A' 1363 ' ' LEU . . . -74.52 -36.31 63.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.048 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -57.11 -45.34 83.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.062 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -69.95 -51.28 34.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.89 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -52.35 -57.68 9.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.212 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1363 ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' 1368 ' ' TRP . 8.7 mt -58.79 -59.58 5.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.581 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -45.57 -64.59 0.7 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.345 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 65.7 tttm -50.65 -52.09 42.97 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 123.992 0.807 . . . . 0.0 111.542 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1366 ' ' CYS . . . . . 0.533 ' SG ' ' HB1' ' A' 1372 ' ' ALA . 4.7 t -61.91 -10.05 8.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.481 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1367 ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' 1366 ' ' CYS . 21.9 t-20 95.05 52.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.301 1.0 . . . . 0.0 109.166 179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1368 ' ' TRP . . . . . 0.579 ' HZ3' HG22 ' A' 1346 ' ' VAL . 82.0 m95 36.24 80.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.485 -1.234 . . . . 0.0 112.015 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1369 ' ' ASP . . . . . 0.505 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 39.6 m-20 -142.28 120.43 12.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.223 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1370 ' ' LEU . . . . . 0.679 HD11 HD22 ' B' ' 8' ' ' LEU . 3.1 tm? -52.01 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1371 ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -49.89 -47.25 52.11 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1372 ' ' ALA . . . . . 0.533 ' HB1' ' SG ' ' A' 1366 ' ' CYS . . . -57.9 -40.54 80.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 0.0 111.027 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1373 ' ' ALA . . . . . 0.424 ' HB3' HD11 ' A' 1349 ' ' LEU . . . -65.45 -41.98 92.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.954 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1374 ' ' THR . . . . . 0.649 ' HB ' HG21 ' B' ' 70' ' ' VAL . 41.7 m -55.08 -45.67 75.4 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1375 ' ' ASN . . . . . 0.579 ' HA ' HD12 ' A' 1378 ' ' LEU . 0.4 OUTLIER -65.89 -27.65 68.36 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.823 178.576 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1376 ' ' PHE . . . . . 0.429 ' HA ' ' HB2' ' A' 1380 ' ' SER . 33.3 t80 -65.16 -37.34 87.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.117 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.1 -27.57 57.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1378 ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' 1375 ' ' ASN . 26.9 mt -76.97 -57.96 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -93.07 -66.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.48 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1380 ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 29.1 m -55.21 171.15 0.17 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.88 0.372 . . . . 0.0 111.346 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.114 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.794 0.331 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -121.76 139.92 52.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.216 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.4 pt -113.15 152.39 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -117.42 99.54 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.381 . . . . 0.0 111.33 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 75.1 t -76.57 140.06 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.672 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -107.62 110.67 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.171 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.4 p -82.67 156.3 23.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.624 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.679 HD22 HD11 ' A' 1370 ' ' LEU . 88.5 mt -79.31 2.03 22.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -97.37 -10.98 24.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.922 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.59 46.0 2.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.56 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -136.1 145.19 45.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.942 0.401 . . . . 0.0 111.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 93.1 m -108.02 106.37 16.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.793 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.559 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 76.3 mt -85.82 120.43 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.244 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -102.68 113.49 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.75 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' B' ' 13' ' ' ILE . 96.8 mt -122.5 137.32 54.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.301 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.73 102.05 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.254 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -110.96 -172.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.36 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -126.24 173.62 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 65.7 m -76.15 -5.99 49.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -111.63 -6.21 14.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.126 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.16 148.42 40.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.019 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 42.0 p -107.11 162.19 14.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -57.64 -49.4 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -51.45 -32.75 28.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.629 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -70.72 -46.66 62.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 111.051 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.4 t -52.19 -50.57 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.422 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.599 ' HB3' HE21 ' B' ' 41' ' ' GLN . 4.4 mmmm -51.66 -44.83 63.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.632 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -59.5 -45.37 91.89 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.27 -38.43 80.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.13 -43.75 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -62.52 -36.6 83.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.438 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -79.95 -10.65 59.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.174 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.538 ' HG2' HG23 ' B' ' 13' ' ' ILE . 57.8 tptt -90.11 -68.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.39 -70.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.784 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.85 37.0 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.757 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.543 HD12 ' N ' ' B' ' 36' ' ' ILE . 3.5 mp -85.76 130.25 51.5 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.5 115.06 2.21 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.679 2.252 . . . . 0.0 112.919 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.546 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 27.9 Cg_exo -63.05 -21.55 73.03 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.775 2.317 . . . . 0.0 112.646 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.13 -3.7 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.43 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -125.9 -49.99 1.59 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.649 0.261 . . . . 0.0 111.295 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.599 HE21 ' HB3' ' B' ' 27' ' ' LYS . 10.9 pt20 -56.22 143.05 35.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.06 0.457 . . . . 0.0 111.613 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -140.19 132.19 27.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.207 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.52 HD23 ' HE3' ' B' ' 27' ' ' LYS . 0.2 OUTLIER -78.2 140.05 38.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.689 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.461 HD13 HD21 ' A' 1378 ' ' LEU . 52.6 mt -135.65 143.72 35.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.321 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.4 ' HB3' HD21 ' B' ' 50' ' ' LEU . 61.9 t80 -152.16 125.51 8.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.395 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 19.24 9.95 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.317 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.37 3.9 71.6 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.606 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -101.02 130.39 47.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.34 . . . . 0.0 111.034 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.473 ' HB2' HD22 ' A' 1378 ' ' LEU . 0.2 OUTLIER -75.7 98.68 4.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.44 179.775 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.494 ' HB2' ' HB3' ' B' ' 43' ' ' LEU . 26.1 mt -62.47 106.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.85 176.37 6.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.4 162.09 24.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.618 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.89 -42.54 2.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.192 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -77.13 164.38 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.58 -176.42 3.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' B' ' 61' ' ' ILE . 6.9 mp -71.52 -21.42 61.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.842 0.353 . . . . 0.0 111.069 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.1 t -75.14 -22.6 58.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.9 -13.88 59.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.861 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.495 ' HB2' HG13 ' B' ' 61' ' ' ILE . 82.7 m-85 -126.49 5.14 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 57.76 30.14 18.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.495 HG13 ' HB2' ' B' ' 59' ' ' TYR . 60.6 mt -62.16 115.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -86.18 -176.51 5.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 159.4 14.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 59.83 17.47 6.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.808 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.5 m -82.96 166.36 18.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.546 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 70.6 m -113.24 102.51 10.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.045 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 25.1 mt -86.49 -179.65 6.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.331 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -131.34 158.77 39.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.237 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' B' ' 41' ' ' GLN . 17.5 tp -136.28 122.0 19.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.53 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.649 HG21 ' HB ' ' A' 1374 ' ' THR . 14.6 p -130.96 148.03 33.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.918 0.389 . . . . 0.0 111.538 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 97.5 mt -74.54 154.33 38.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.074 0.464 . . . . 0.0 111.333 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' B' ' 73' ' ' LEU . 80.1 ttt180 -86.84 -12.25 48.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.087 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' B' ' 72' ' ' ARG . 3.9 mm? 67.93 123.91 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -142.85 112.3 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.981 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.73 73.24 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.429 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.549 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.705 0.288 . . . . 0.0 111.617 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 37.6 t -79.1 -31.06 44.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 111.195 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.88 -42.29 89.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.96 74.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.774 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 41.6 t -60.7 -32.26 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.188 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -68.92 -50.17 51.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.052 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.07 -39.07 91.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.918 0.389 . . . . 0.0 110.393 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.438 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 81.9 mt -70.05 -29.18 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.326 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' 1354 ' ' PHE . 46.0 t -69.84 -19.27 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.997 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.03 34.95 5.28 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.538 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 77.8 mtp -121.91 -40.47 2.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 162.66 8.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.055 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . 0.438 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -141.1 156.02 46.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.349 . . . . 0.0 111.0 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 56.0 p -70.16 175.5 4.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.704 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -73.04 -24.55 60.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -58.61 5.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.512 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -56.27 -40.21 73.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.706 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.01 -33.03 74.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.732 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -64.03 -54.28 36.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -59.81 -47.47 85.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.405 . . . . 0.0 110.757 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.43 -50.99 64.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.365 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' 1368 ' ' TRP . 10.1 mt -59.4 -59.31 5.66 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.523 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -45.34 -64.39 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.163 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -51.14 -50.88 58.04 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 124.05 0.844 . . . . 0.0 111.876 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.572 ' O ' ' HB2' ' A' 1367 ' ' ASN . 96.8 m -63.75 -7.42 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.823 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.572 ' HB2' ' O ' ' A' 1366 ' ' CYS . 0.8 OUTLIER 93.07 52.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.4 1.062 . . . . 0.0 109.311 179.419 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' 1363 ' ' LEU . 70.5 m95 44.17 31.28 0.53 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.951 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 16.0 m-20 -93.75 127.59 39.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.783 0.325 . . . . 0.0 110.556 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.7 -64.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.105 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . 0.525 ' HG3' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -52.38 -41.83 63.47 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.772 0.32 . . . . 0.0 110.853 -179.526 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.525 ' N ' ' HG3' ' A' 1371 ' ' GLU . . . -65.75 -34.25 77.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.432 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -62.71 -53.41 54.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.115 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.614 HG21 HG21 ' B' ' 70' ' ' VAL . 17.0 m -57.22 -41.84 80.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.63 ' HA ' HD12 ' A' 1378 ' ' LEU . 5.1 t30 -61.05 -29.02 69.48 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.913 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' 1380 ' ' SER . 32.7 t80 -69.07 -48.67 62.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.582 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.57 -20.06 65.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' 1375 ' ' ASN . 57.4 mt -81.04 -61.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.399 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -93.34 -64.18 1.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.526 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' 1376 ' ' PHE . 28.0 m -48.46 129.88 16.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.461 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.091 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.719 0.295 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -117.17 154.74 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.183 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.458 ' HB ' HD23 ' B' ' 67' ' ' LEU . 44.5 pt -124.31 144.47 34.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.877 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -107.29 100.07 9.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.37 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 55.7 t -78.67 142.12 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.523 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -122.54 113.26 19.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.458 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.453 HG21 ' HZ3' ' B' ' 11' ' ' LYS . 61.4 p -83.37 154.5 24.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.87 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 66.7 mt -81.66 16.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 0.0 111.211 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 7.8 m -111.54 -11.47 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.796 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.16 33.23 4.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.414 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.558 ' HE3' ' HG2' ' B' ' 34' ' ' GLU . 8.0 ttpm? -121.27 134.98 55.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.977 0.418 . . . . 0.0 111.209 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 42.7 m -105.0 136.08 45.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 78.2 mt -126.23 125.84 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 111.44 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.8 m -106.5 113.24 26.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.375 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.48 147.72 35.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.006 0.431 . . . . 0.0 111.495 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -106.06 112.86 26.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.619 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -125.76 176.49 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 111.416 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -115.18 177.85 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.557 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.8 t -76.39 1.35 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.776 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 86.7 p -120.66 4.78 10.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.009 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.54 165.89 11.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.434 ' O ' HG23 ' B' ' 26' ' ' VAL . 35.3 p -130.2 160.58 33.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.433 HG22 ' HD3' ' B' ' 27' ' ' LYS . 39.9 mm -57.68 -54.02 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -47.24 -37.7 10.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.594 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -68.39 -40.69 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 111.057 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 22' ' ' THR . 12.7 t -58.11 -43.79 86.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.013 0.435 . . . . 0.0 110.938 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.561 ' HB3' HE21 ' B' ' 41' ' ' GLN . 4.6 mmmm -59.44 -47.88 83.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.994 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 98.5 p -59.14 -41.73 89.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.03 -47.24 83.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.51 -39.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.448 ' HB2' ' HG3' ' B' ' 38' ' ' PRO . 6.7 tp60 -59.82 -47.0 87.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.22 -15.76 59.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -77.93 -67.64 0.71 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.558 ' HG2' ' HE3' ' B' ' 11' ' ' LYS . 2.3 mp0 -104.08 -61.94 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.092 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.44 10.38 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.771 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.38 121.35 59.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.565 0.182 . . . . 0.0 110.638 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.447 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 88.6 Cg_exo -47.28 120.35 4.3 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.644 2.23 . . . . 0.0 112.654 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.505 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 20.7 Cg_exo -66.26 -32.17 42.54 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.716 2.278 . . . . 0.0 112.688 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -73.62 -6.29 45.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.328 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.447 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 18.0 mp0 -114.64 -53.71 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.473 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.561 HE21 ' HB3' ' B' ' 27' ' ' LYS . 13.9 pt20 -52.98 142.95 18.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.61 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.439 ' HD2' HE22 ' B' ' 49' ' ' GLN . 83.0 mtm180 -140.28 133.83 30.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.513 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.467 ' HB3' HD12 ' B' ' 50' ' ' LEU . 0.3 OUTLIER -80.12 136.28 36.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.561 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 20.3 mt -133.8 147.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.086 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -152.0 125.84 9.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.86 20.61 5.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.69 -26.71 22.05 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.386 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -85.86 126.34 33.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.498 ' HB2' HD22 ' A' 1378 ' ' LEU . 35.5 tt0 -72.87 128.61 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.936 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' B' ' 43' ' ' LEU . 52.5 mt -73.32 107.52 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.24 129.9 41.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.32 138.35 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.44 -48.15 0.97 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.659 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -70.24 166.67 19.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.872 0.367 . . . . 0.0 111.207 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 66.5 p -91.02 -173.31 3.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.288 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' B' ' 61' ' ' ILE . 41.7 mt -86.76 -16.96 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -79.61 -21.83 44.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.15 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -72.55 -14.78 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.304 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.543 ' HB2' HG13 ' B' ' 61' ' ' ILE . 78.3 m-85 -118.33 13.34 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.27 22.51 7.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.543 HG13 ' HB2' ' B' ' 59' ' ' TYR . 90.7 mt -56.61 106.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.928 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -74.65 -167.52 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.218 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' B' ' 63' ' ' LYS . 3.6 mppt? -88.6 147.16 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.981 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 56.94 23.05 7.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -60.77 148.4 39.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.01 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.5 m -89.36 96.3 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.931 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.458 HD23 ' HB ' ' B' ' 3' ' ' ILE . 4.0 mm? -90.73 155.63 18.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.082 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.561 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 24.8 m-70 -120.14 151.86 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' B' ' 41' ' ' GLN . 14.8 tp -129.94 106.61 8.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.772 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' 1374 ' ' THR . 60.5 t -119.67 137.95 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.229 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 67.7 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.047 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.706 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 89.1 p -83.83 -46.05 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.758 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 91.5 mt -56.7 -32.92 65.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . 0.433 ' O ' ' HG ' ' A' 1349 ' ' LEU . . . -66.83 -51.14 59.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.722 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 57.1 t -63.69 -32.4 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.12 -52.54 16.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.11 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -39.38 78.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.308 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' 1345 ' ' ALA . 52.1 mt -68.53 -34.3 75.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.2 t -63.25 -24.14 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -98.88 40.21 2.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 69.0 mtp -129.26 -43.14 1.31 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.745 0.307 . . . . 0.0 111.041 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 165.85 5.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.711 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.83 165.79 24.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 81.5 p -80.02 179.8 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.17 -36.72 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -61.67 -60.42 3.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -50.75 -33.78 24.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.631 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . 0.403 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -70.34 -40.26 74.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.742 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -61.9 -50.84 70.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -61.69 -44.96 95.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.51 45.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.301 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' 1369 ' ' ASP . 11.9 mt -56.33 -58.69 6.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.242 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.18 -64.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.853 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -50.6 -53.94 26.64 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.928 0.768 . . . . 0.0 111.685 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.538 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 97.8 m -58.77 -9.95 2.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.573 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' 1366 ' ' CYS . 11.7 m120 93.16 53.03 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.309 1.006 . . . . 0.0 109.17 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.3 m95 39.35 81.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.724 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 24.4 t70 -155.9 134.83 11.98 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.448 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' 1370 ' ' LEU . 9.2 mt -62.66 -74.77 0.09 Allowed 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -46.17 -36.64 6.17 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.672 0.272 . . . . 0.0 111.528 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' 1366 ' ' CYS . . . -67.36 -42.97 82.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.866 0.365 . . . . 0.0 110.435 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -65.15 -52.74 53.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.637 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.485 ' O ' ' HG ' ' A' 1378 ' ' LEU . 50.2 m -54.43 -50.06 68.52 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.694 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.0 t30 -57.71 -31.15 66.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.071 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.508 ' O ' ' HB3' ' A' 1380 ' ' SER . 46.5 t80 -66.48 -53.97 29.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.302 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.1 -25.37 4.99 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.901 0.382 . . . . 0.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' 1375 ' ' ASN . 28.7 mt -76.09 -52.28 10.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.462 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 13.9 t70 -94.12 -68.06 0.82 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.676 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.508 ' HB3' ' O ' ' A' 1376 ' ' PHE . 52.7 p 33.53 83.44 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.117 0.567 . . . . 0.0 111.867 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.155 -179.867 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 14.7 tpt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -126.21 144.44 50.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 pt -130.42 164.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.746 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -123.02 102.33 7.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 111.193 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.05 125.72 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.634 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -123.64 135.74 54.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 111.625 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.8 p -96.59 159.09 15.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.583 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.572 HD21 HG22 ' B' ' 70' ' ' VAL . 3.8 mm? -65.82 -21.31 66.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.755 0.312 . . . . 0.0 111.2 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -72.39 -3.55 24.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.081 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.54 58.98 2.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.411 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -139.37 124.62 19.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -96.41 140.9 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 21.8 mt -136.93 139.89 43.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.255 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.2 m -110.32 129.88 55.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -131.04 147.11 52.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 111.343 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -109.63 96.2 6.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.054 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.459 ' O ' ' HB3' ' B' ' 1' ' ' MET . 33.6 m -108.11 -162.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.375 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 42.6 mt-10 -124.36 154.29 40.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p -69.01 -21.28 64.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 85.5 p -104.22 2.58 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.448 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 17.8 t70 -67.73 153.93 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 26' ' ' VAL . 67.8 p -84.23 177.59 8.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.284 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -80.27 -54.08 11.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -55.22 -37.93 67.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.321 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.665 HD21 ' HE2' ' B' ' 29' ' ' LYS . 8.1 t30 -56.75 -40.86 76.55 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.111 0.481 . . . . 0.0 110.204 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 22' ' ' THR . 61.4 t -62.85 -36.2 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.413 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.533 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 33.7 mmtp -59.86 -42.46 93.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.23 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -64.64 -45.99 84.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.367 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.665 ' HE2' HD21 ' B' ' 25' ' ' ASN . 66.0 mttm -55.44 -39.92 70.89 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.644 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.2 mt -69.68 -37.62 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.793 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -57.67 -50.49 73.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.17 -23.22 63.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -64.19 0.93 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -102.77 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.44 0.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.695 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.424 HG22 ' HB3' ' B' ' 41' ' ' GLN . 35.2 mm -58.51 130.86 85.05 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.0 Cg_endo -58.76 139.22 89.85 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.406 2.071 . . . . 0.0 112.487 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.516 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 5.0 Cg_exo -77.72 -32.37 2.78 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.875 2.384 . . . . 0.0 112.438 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -76.42 8.23 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.588 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -134.33 -47.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.154 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.4 pt20 -57.82 145.43 35.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.997 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.475 HH11 HE22 ' B' ' 49' ' ' GLN . 97.1 mtt180 -142.46 142.74 32.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.601 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.533 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 80.5 mt -97.94 129.46 44.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.409 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.609 HD11 HD11 ' A' 1378 ' ' LEU . 66.0 mt -121.01 137.44 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -140.44 129.7 23.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.03 15.12 4.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.263 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.63 -21.41 45.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.714 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -90.33 132.07 35.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 111.083 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.489 ' NE2' HD13 ' A' 1378 ' ' LEU . 35.4 tt0 -78.44 131.88 37.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.18 130.84 35.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -89.37 143.51 26.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.17 148.0 49.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.62 -28.86 13.52 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.594 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -87.71 -179.54 6.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 60.5 p -112.07 -174.52 2.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.9 mt -81.66 -15.29 55.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.143 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.1 p -81.32 -28.78 34.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.542 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -70.45 -4.54 23.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.533 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -131.11 2.03 4.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.971 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 m120 56.4 89.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.942 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.9 mt -123.41 115.42 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -73.94 179.12 4.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.426 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -77.59 152.2 34.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 55.65 24.13 6.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.01 0.433 . . . . 0.0 110.654 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.9 p -59.8 160.51 7.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.092 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 40.8 m -107.64 104.37 13.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.421 ' HB3' HD22 ' B' ' 43' ' ' LEU . 4.6 mm? -98.0 147.07 24.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -108.12 137.74 45.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' B' ' 41' ' ' GLN . 14.3 tp -107.92 114.24 28.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.389 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.572 HG22 HD21 ' B' ' 8' ' ' LEU . 38.3 t -122.86 148.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 111.353 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 tp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.637 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 36.2 mtmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.846 0.355 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.3 t -83.63 -42.46 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.72 -27.65 69.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -69.57 -50.7 42.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 45.9 t -62.64 -35.83 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.36 -46.37 73.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.768 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -30.82 71.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.485 HD12 HD11 ' A' 1363 ' ' LEU . 79.4 mt -80.49 -23.98 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.004 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 43.8 t -69.08 -25.24 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -86.52 -4.04 83.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.242 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 84.0 mmm -74.61 -67.59 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 179.52 16.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.695 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . 0.403 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -139.09 168.35 20.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.6 p -75.04 174.08 9.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.499 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -73.22 -24.82 60.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.76 -53.89 19.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -58.26 -36.64 73.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.62 68.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.783 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -61.41 -49.14 78.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -66.19 -42.13 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.772 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.57 75.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.449 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.51 ' HA ' ' HB2' ' A' 1373 ' ' ALA . 6.5 mt -63.37 -59.43 4.7 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.916 0.388 . . . . 0.0 110.949 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -45.34 -63.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.804 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 51.5 tptt -51.27 -53.03 39.45 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.853 0.721 . . . . 0.0 111.773 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' A' 1367 ' ' ASN . 4.9 p -61.32 -8.56 3.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.516 0.198 . . . . 0.0 110.505 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' 1366 ' ' CYS . 7.4 t30 95.03 52.83 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.275 0.984 . . . . 0.0 109.358 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.493 ' N ' ' O ' ' A' 1363 ' ' LEU . 80.1 m95 37.07 72.21 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.965 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.462 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 40.5 m-20 -138.78 124.55 19.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.81 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . 0.552 ' HG ' HD21 ' B' ' 8' ' ' LEU . 20.7 tp -53.62 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -40.61 18.13 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.576 ' HA ' ' OD1' ' A' 1375 ' ' ASN . . . -59.95 -47.76 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 0.0 111.093 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . 0.51 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -63.68 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.615 HG21 HG21 ' B' ' 70' ' ' VAL . 10.6 m -57.68 -54.36 47.79 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.016 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.635 ' HA ' HD12 ' A' 1378 ' ' LEU . 0.7 OUTLIER -64.29 -24.37 67.63 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.088 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' 1373 ' ' ALA . 30.3 t80 -64.23 -38.86 92.55 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' 1377 ' ' LEU . 4.2 mm? -74.3 -25.72 59.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.69 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' 1375 ' ' ASN . 36.0 mt -76.61 -60.08 2.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -92.94 -64.98 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.447 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' 1376 ' ' PHE . 28.3 m -55.48 170.11 0.26 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.305 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.165 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.523 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 3.9 ppp? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -109.87 164.81 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.039 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -139.74 155.92 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -114.23 112.7 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.055 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.644 HG12 ' HB2' ' B' ' 69' ' ' LEU . 1.8 t -86.07 109.04 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.646 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -94.18 97.06 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.373 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.541 HG22 HD23 ' B' ' 69' ' ' LEU . 70.5 p -65.07 147.28 53.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.168 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.552 HD21 ' HG ' ' A' 1370 ' ' LEU . 12.2 tp -72.46 5.88 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.954 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 39.2 p -98.96 -24.42 14.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.99 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.7 41.97 0.83 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.694 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -138.49 126.94 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.681 0.277 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.6 m -96.76 138.41 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.467 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.9 mm -120.36 114.46 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.537 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.8 m -87.75 113.61 23.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.276 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 tp -127.09 144.07 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 111.623 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -107.17 120.22 41.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.304 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.42 179.11 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 111.678 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -99.28 175.14 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.75 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.7 p -75.92 -27.17 57.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.8 t -101.13 17.02 23.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.044 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.38 139.26 55.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 74.7 p -87.41 144.66 26.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.508 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.6 mm -56.72 -36.24 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.297 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.452 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 18.5 t70 -63.27 -34.84 78.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.968 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.469 ' ND2' ' HE2' ' B' ' 29' ' ' LYS . 54.1 t30 -72.46 -31.06 65.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.766 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.02 -52.73 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' B' ' 42' ' ' ARG . 2.0 mptm? -56.63 -40.45 75.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -59.17 -46.01 89.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.469 ' HE2' ' ND2' ' B' ' 25' ' ' ASN . 68.2 mttm -60.84 -44.21 97.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.25 -36.79 70.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.415 ' HB2' ' HG3' ' B' ' 38' ' ' PRO . 41.8 tp60 -71.61 -32.47 68.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.842 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -83.35 -4.31 58.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.71 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -104.36 -66.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.39 -75.41 0.49 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.35 26.79 0.05 OUTLIER Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.237 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.463 ' N ' HD12 ' B' ' 36' ' ' ILE . 4.2 mp -82.49 127.98 68.62 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.97 0.385 . . . . 0.0 110.328 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.21 117.72 4.41 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.576 2.184 . . . . 0.0 112.577 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.55 ' HA ' HE21 ' B' ' 41' ' ' GLN . 21.9 Cg_exo -65.27 -28.67 55.4 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.569 2.179 . . . . 0.0 112.44 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.5 -14.72 63.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.259 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.401 ' HB3' ' HB3' ' B' ' 71' ' ' LEU . 24.8 mm-40 -111.54 -59.13 2.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.337 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.55 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.4 pt20 -50.9 142.42 11.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.076 0.465 . . . . 0.0 112.161 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.41 ' HA ' ' NZ ' ' B' ' 27' ' ' LYS . 80.3 mtp180 -142.38 135.87 29.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.361 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.403 HD23 ' HE2' ' B' ' 27' ' ' LYS . 1.9 mm? -78.82 144.01 35.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.209 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.537 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 87.7 mt -137.17 125.88 34.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.378 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.447 ' HB3' HD21 ' B' ' 50' ' ' LEU . 80.0 t80 -134.83 137.92 43.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.01 19.84 7.63 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.293 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.11 -17.8 44.62 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.31 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -93.02 138.97 31.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.665 0.269 . . . . 0.0 110.776 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' B' ' 42' ' ' ARG . 21.0 tm0? -69.14 147.9 50.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.917 0.389 . . . . 0.0 111.292 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' B' ' 45' ' ' PHE . 3.6 mm? -101.19 101.41 12.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.922 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.26 151.56 44.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.923 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.508 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 6.0 m-20 -76.46 166.15 23.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.74 -52.45 2.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.548 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -75.57 170.59 15.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.012 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.9 p -103.61 -178.4 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 26.8 mt -71.16 -11.96 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -81.01 -30.68 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.04 -6.12 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.252 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -131.72 -1.43 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.967 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 51.1 t30 57.58 93.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.019 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.2 mt -125.52 126.27 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.801 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -74.01 -174.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.334 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.523 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 63.1 mmtt -88.18 142.72 27.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.0 20.93 5.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.261 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.0 m -59.74 149.72 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -100.05 97.92 8.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.443 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.2 mp -90.1 -173.01 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.467 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.537 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 59.4 m-70 -131.83 165.07 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.644 ' HB2' HG12 ' B' ' 5' ' ' VAL . 16.1 tp -135.97 126.1 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.203 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' 1374 ' ' THR . 59.8 t -137.28 133.15 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.515 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' B' ' 40' ' ' GLN . 8.2 mp . . . . . 0 C--N 1.327 -0.401 0 CA-C-O 121.074 0.464 . . . . 0.0 111.237 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.5 mtmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.862 0.363 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.1 t -84.06 -42.79 15.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.83 -36.13 76.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.318 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -61.59 -51.7 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.624 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 54.5 t -60.61 -38.05 77.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.64 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.18 -35.2 80.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.193 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' 1352 ' ' MET . 11.8 mm-40 -64.93 -55.29 20.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.108 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' 1359 ' ' ALA . 3.4 mp -53.35 -47.24 69.56 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.354 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.3 t -54.96 -28.32 50.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -96.79 34.77 4.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.673 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' 1348 ' ' GLU . 73.0 mtp -128.67 -65.66 0.87 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.636 0.255 . . . . 0.0 110.918 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -171.0 14.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.963 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.05 178.64 7.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.796 0.332 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 75.5 p -92.69 176.25 6.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.507 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.42 -32.86 64.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.302 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.61 -62.45 1.73 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.71 0.29 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -53.42 -29.66 36.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.229 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . 0.472 ' HA ' HD22 ' A' 1349 ' ' LEU . . . -71.36 -40.04 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.567 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -62.54 -52.48 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -61.79 -42.15 98.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.61 76.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.456 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' 1368 ' ' TRP . 12.3 mt -60.36 -58.89 6.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.92 0.391 . . . . 0.0 111.074 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.5 -64.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.347 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' 1367 ' ' ASN . 45.1 mmtm -49.61 -56.29 10.56 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 124.024 0.828 . . . . 0.0 112.035 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' 1367 ' ' ASN . 4.5 p -58.07 -8.94 1.18 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.626 0.251 . . . . 0.0 110.363 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' 1366 ' ' CYS . 70.0 m-20 91.64 55.54 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 124.301 1.001 . . . . 0.0 109.115 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.475 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.1 m95 36.68 82.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.667 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.653 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 27.5 t70 -152.22 127.79 10.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.093 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . 0.544 HD12 ' HG ' ' B' ' 8' ' ' LEU . 3.0 tm? -57.31 -73.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -49.2 -38.37 25.81 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.653 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -66.45 -35.12 79.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -71.91 -52.89 15.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.543 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.522 ' O ' ' HG ' ' A' 1378 ' ' LEU . 94.5 m -52.49 -39.0 60.74 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.519 ' HA ' HD12 ' A' 1378 ' ' LEU . 5.1 t30 -76.02 -27.61 57.43 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.099 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 37.0 t80 -61.22 -36.26 79.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.772 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.89 -20.79 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.742 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' 1374 ' ' THR . 48.7 mt -79.13 -63.77 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -91.06 -62.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.374 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 44.3 m -58.47 170.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.123 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.061 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -123.23 143.02 50.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.525 ' HB ' HD23 ' B' ' 67' ' ' LEU . 2.7 pp -121.94 155.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.537 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 91.4 m-85 -119.99 120.56 36.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 111.443 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' B' ' 69' ' ' LEU . 2.4 t -82.64 145.53 8.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -127.13 100.99 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.662 0.268 . . . . 0.0 111.705 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.55 HG22 HD23 ' B' ' 69' ' ' LEU . 69.7 p -84.8 148.78 26.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.062 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.544 ' HG ' HD12 ' A' 1370 ' ' LEU . 2.3 mm? -65.56 -15.66 62.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.71 0.29 . . . . 0.0 111.036 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 50.6 p -73.4 -10.21 59.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.807 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.08 45.82 3.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.399 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.413 ' HE3' ' OE1' ' B' ' 34' ' ' GLU . 40.2 tttm -129.76 144.09 51.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 111.305 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.0 m -120.97 110.15 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.514 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 12.1 mt -92.63 149.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.3 m -118.67 112.75 20.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.438 HD21 ' HD2' ' B' ' 29' ' ' LYS . 57.5 tp -126.4 138.6 53.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.095 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -102.82 117.88 35.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.588 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -122.55 177.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.334 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -107.76 168.88 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.765 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.7 p -73.0 -13.44 61.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.792 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -108.25 2.96 23.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.73 155.59 29.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 78.9 p -110.55 148.93 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.222 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -57.36 -42.9 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 17.9 t70 -56.16 -32.68 64.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.044 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.499 ' ND2' ' HE3' ' B' ' 29' ' ' LYS . 54.9 t30 -76.3 -37.12 57.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.27 -54.71 24.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.494 ' HE2' HD13 ' B' ' 43' ' ' LEU . 2.1 mptm? -52.53 -43.42 65.14 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 61.7 m -57.9 -44.92 87.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.499 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 99.2 mttt -61.19 -37.88 84.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.93 -35.06 74.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.802 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.443 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 28.6 tt0 -71.48 -36.55 71.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.709 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -81.44 -9.9 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.76 -63.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.413 ' OE1' ' HE3' ' B' ' 11' ' ' LYS . 66.0 mm-40 -94.79 -73.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.57 -7.43 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.937 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.415 HG22 ' HB3' ' B' ' 41' ' ' GLN . 12.4 mm -60.41 130.37 89.78 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.725 0.262 . . . . 0.0 110.518 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.501 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 72.2 Cg_endo -77.59 131.39 11.4 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.422 2.081 . . . . 0.0 113.013 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.53 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 28.0 Cg_exo -63.58 -25.63 69.64 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.015 2.477 . . . . 0.0 112.823 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.88 -5.06 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.623 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -130.98 -47.86 1.02 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.602 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.54 ' NE2' HD11 ' B' ' 69' ' ' LEU . 18.0 pt20 -63.65 149.33 46.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.947 0.403 . . . . 0.0 111.431 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -146.18 140.41 26.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.687 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.494 HD13 ' HE2' ' B' ' 27' ' ' LYS . 3.8 mp -92.23 117.19 29.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.788 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.545 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 4.5 mp -106.75 141.55 21.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.445 ' HB3' HD11 ' B' ' 50' ' ' LEU . 43.8 t80 -146.95 128.32 14.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.355 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.94 11.43 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.436 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.93 14.58 48.76 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.262 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -127.59 134.06 49.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.458 ' HB2' HD22 ' A' 1378 ' ' LEU . 0.1 OUTLIER -73.22 120.63 19.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.516 HD21 HD11 ' B' ' 61' ' ' ILE . 9.3 mp -75.42 108.34 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.97 156.15 21.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 4.0 p-10 -82.85 149.8 26.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.18 -14.82 58.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.528 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -87.11 170.8 11.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.5 m -99.81 153.77 18.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.26 -36.58 78.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.263 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -67.58 -23.21 65.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.414 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.63 -20.96 66.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.131 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -114.47 4.03 15.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 56.75 93.02 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.516 HD11 HD21 ' B' ' 50' ' ' LEU . 57.0 mt -127.39 136.3 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -91.52 -172.3 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -84.81 147.37 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.29 22.95 12.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -58.51 160.82 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.3 m -110.86 99.17 8.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.365 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.525 HD23 ' HB ' ' B' ' 3' ' ' ILE . 3.7 mm? -86.42 148.3 25.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.663 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.545 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 75.6 m-70 -108.3 128.14 54.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.55 HD23 HG22 ' B' ' 7' ' ' THR . 13.9 tp -97.87 114.45 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.401 HG21 ' CG2' ' A' 1374 ' ' THR . 42.6 t -127.48 141.21 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.199 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.879 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.7 mtmm . . . . . 0 C--O 1.232 0.156 0 N-CA-C 111.647 0.239 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 43.6 t -60.53 -35.96 77.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.335 . . . . 0.0 110.738 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 54.0 tp -59.27 -37.0 76.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.861 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' 1349 ' ' LEU . . . -60.95 -47.77 84.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.948 0.404 . . . . 0.0 110.425 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 41.2 t -67.99 -31.85 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.96 -38.24 76.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.34 -40.92 64.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.681 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' 1345 ' ' ALA . 81.6 mt -67.11 -40.22 86.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 45.2 t -64.17 -15.18 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.284 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.93 15.93 54.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.617 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.1 mtp -102.52 -56.33 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.712 0.291 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -176.25 7.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.675 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.17 177.08 8.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.076 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 80.4 p -87.92 177.01 7.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.358 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.3 -27.07 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.68 -60.76 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -53.31 -35.39 60.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.717 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -71.58 -34.53 70.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.791 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -63.44 -50.09 71.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.653 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -65.62 -45.65 82.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.71 71.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.367 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' 1368 ' ' TRP . 13.7 mt -64.12 -59.6 4.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.439 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -46.36 -64.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 24.4 tptm -50.21 -54.94 17.51 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 124.09 0.869 . . . . 0.0 111.983 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' 1367 ' ' ASN . 3.7 p -57.85 -11.86 2.65 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' 1366 ' ' CYS . 44.9 t-20 96.25 54.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.369 1.043 . . . . 0.0 109.585 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' 1363 ' ' LEU . 71.7 m95 39.51 59.34 1.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.886 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.524 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 32.4 m-20 -128.54 128.55 44.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.949 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.22 -69.89 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.1 OUTLIER -52.01 -41.94 62.61 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.046 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -64.71 -34.14 77.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.769 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -64.25 -53.49 48.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.726 ' HB ' HG21 ' B' ' 70' ' ' VAL . 90.6 m -55.33 -51.31 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.577 ' HA ' HD12 ' A' 1378 ' ' LEU . 4.9 t30 -57.84 -28.48 64.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.431 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.489 ' HA ' ' HB2' ' A' 1380 ' ' SER . 51.4 t80 -70.39 -37.73 74.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.998 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 80.0 mt -76.37 -25.85 55.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.845 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.727 HD22 HE21 ' B' ' 49' ' ' GLN . 45.2 mt -76.54 -61.36 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -92.05 -65.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.372 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.489 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 5.2 m -53.63 167.19 0.25 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.111 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.615 ' HB3' ' HE3' ' B' ' 63' ' ' LYS . 5.6 ppp? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.716 0.293 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 4.1 pt20 -130.88 161.11 32.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.415 . . . . 0.0 111.278 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -137.72 163.17 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.736 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -127.99 110.3 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.238 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 73.5 t -82.46 132.26 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.649 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -103.55 101.05 10.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.781 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.802 HG22 HD13 ' B' ' 69' ' ' LEU . 54.6 p -79.97 139.77 36.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.421 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.733 HD11 HG23 ' B' ' 70' ' ' VAL . 96.0 mt -63.67 -12.03 30.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.299 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -79.38 -23.76 43.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.79 46.73 0.88 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -138.99 149.39 44.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 111.072 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.7 m -119.41 115.43 24.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.613 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.489 HG22 ' HG ' ' B' ' 15' ' ' LEU . 63.3 mt -95.66 122.97 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.601 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -95.83 115.27 27.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.485 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.489 ' HG ' HG22 ' B' ' 13' ' ' ILE . 61.6 mt -128.9 127.37 41.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.498 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 40.7 tt0 -99.69 113.58 26.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.32 -168.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.455 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.74 159.29 19.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 55.8 m -72.72 -22.36 60.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.3 m -91.78 3.23 55.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.05 150.28 30.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -87.58 170.05 11.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.369 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.711 HD12 HD23 ' B' ' 50' ' ' LEU . 38.9 mm -72.35 -46.89 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.356 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -51.3 -37.16 45.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.056 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -64.67 -41.93 95.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.44 -53.22 49.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.079 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.537 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -53.2 -42.14 66.0 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.105 0.479 . . . . 0.0 110.257 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -61.64 -42.33 98.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.743 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -59.91 -41.61 92.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.536 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.432 HG12 HD11 ' B' ' 15' ' ' LEU . 72.9 mt -60.99 -45.83 97.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -63.64 -31.23 72.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.859 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.05 -9.81 52.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.165 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -93.91 -68.06 0.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 0.0 110.725 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -94.41 -63.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.133 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.11 8.63 0.24 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.796 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.648 HG21 HD11 ' B' ' 69' ' ' LEU . 2.7 mp -74.05 107.36 3.47 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.687 0.244 . . . . 0.0 110.476 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.3 Cg_endo -55.09 132.88 54.95 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.688 2.258 . . . . 0.0 112.615 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.458 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 22.2 Cg_exo -65.32 -46.16 6.16 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.785 2.324 . . . . 0.0 112.807 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -64.25 -3.93 3.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.399 . . . . 0.0 111.212 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -109.08 -42.44 4.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.289 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.511 ' HG3' ' HZ1' ' B' ' 27' ' ' LYS . 28.5 pt20 -87.94 168.37 12.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.656 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.456 HH21 ' HE3' ' B' ' 27' ' ' LYS . 3.3 tpm_? -145.35 126.66 14.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.945 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.537 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 1.1 mm? -88.6 132.61 34.47 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.587 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 4.3 mp -130.78 144.2 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.075 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.586 ' HB2' HD22 ' B' ' 67' ' ' LEU . 30.8 t80 -144.25 129.51 18.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.7 18.56 6.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.93 -25.53 27.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.349 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' B' ' 48' ' ' LYS . 4.5 ttmp? -96.66 120.35 36.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 110.819 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.727 HE21 HD22 ' A' 1378 ' ' LEU . 0.0 OUTLIER -60.32 165.65 3.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.711 HD23 HD12 ' B' ' 23' ' ' ILE . 7.4 mp -103.73 104.35 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.724 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -76.03 136.73 39.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.913 0.387 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.21 109.89 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.998 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.33 -33.55 0.46 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.403 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -105.9 179.35 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.308 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.0 p -98.93 -175.15 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' B' ' 61' ' ' ILE . 57.9 mt -75.64 -12.71 60.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.7 p -81.21 -21.82 39.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.306 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.12 -12.99 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.171 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.512 ' HB2' HG13 ' B' ' 61' ' ' ILE . 78.1 m-85 -114.35 15.0 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.175 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.2 m120 59.88 15.59 5.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.579 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.512 HG13 ' HB2' ' B' ' 59' ' ' TYR . 76.8 mt -59.57 136.96 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.764 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.24 -170.09 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.615 ' HE3' ' HB3' ' B' ' 1' ' ' MET . 13.2 mptt -67.15 146.94 53.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.985 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 57.61 20.76 6.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -57.6 138.12 55.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 85.8 m -99.13 106.9 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.203 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' B' ' 45' ' ' PHE . 20.5 mt -102.41 170.62 7.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -129.41 154.03 47.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.361 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.802 HD13 HG22 ' B' ' 7' ' ' THR . 5.7 tt -119.61 113.38 20.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.362 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.733 HG23 HD11 ' B' ' 8' ' ' LEU . 1.7 p -131.24 173.02 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.621 ' H ' HG22 ' B' ' 70' ' ' VAL . 9.0 tp . . . . . 0 N--CA 1.467 0.42 0 O-C-N 124.203 0.94 . . . . 0.0 110.916 179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 30.1 mtpp . . . . . 0 N--CA 1.461 0.118 0 CA-C-O 120.754 0.311 . . . . 0.0 111.682 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 52.0 m -84.11 -25.72 29.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.567 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 25.1 tp -63.95 -32.65 74.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.064 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . 0.465 ' HB1' HD21 ' A' 1363 ' ' LEU . . . -72.33 -47.21 51.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.467 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 47.3 t -62.35 -33.28 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.899 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -72.27 -45.81 58.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.584 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -34.76 75.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.149 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.415 HD23 ' SD ' ' A' 1352 ' ' MET . 69.3 mt -75.17 -34.8 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.658 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 42.0 t -63.92 -14.88 57.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.105 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -105.67 25.49 24.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.403 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . 0.415 ' SD ' HD23 ' A' 1349 ' ' LEU . 88.3 mtp -114.67 -50.87 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.975 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 169.83 13.94 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.629 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.29 169.65 17.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.12 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 81.0 p -87.54 175.68 7.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.429 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -73.84 -23.98 59.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.365 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.57 -64.14 0.98 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.942 0.401 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.78 -37.71 66.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.449 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' 1363 ' ' LEU . . . -68.55 -31.92 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -67.92 -54.04 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -60.06 -49.9 75.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.03 72.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' 1373 ' ' ALA . 0.0 OUTLIER -55.77 -61.28 2.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.322 0.582 . . . . 0.0 111.28 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -47.26 -65.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.227 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 60.0 tttm -52.2 -53.2 46.29 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 124.133 0.896 . . . . 0.0 112.005 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.486 ' HB2' ' HB1' ' A' 1372 ' ' ALA . 1.6 p -55.01 -15.21 1.89 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' 1366 ' ' CYS . 2.8 t-20 95.76 52.45 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.409 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.474 ' HA ' HD12 ' A' 1363 ' ' LEU . 76.4 m95 37.57 66.96 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.781 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.525 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 23.9 m-20 -134.61 136.02 42.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.455 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . 0.488 HD12 HD13 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -57.49 -75.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.137 -178.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -50.7 -40.7 54.74 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -62.63 -37.81 87.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.696 0.284 . . . . 0.0 111.38 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . 0.635 ' HB2' HD13 ' A' 1363 ' ' LEU . . . -62.91 -54.17 42.77 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.035 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.76 HG21 HG21 ' B' ' 70' ' ' VAL . 78.5 m -57.86 -50.05 74.62 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 3.8 t30 -56.36 -28.8 60.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.139 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.426 ' HA ' ' HB2' ' A' 1380 ' ' SER . 39.9 t80 -70.95 -38.79 72.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.924 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.58 -19.84 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.97 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.619 HD22 ' HB2' ' B' ' 49' ' ' GLN . 69.5 mt -86.82 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.6 t70 -83.8 -63.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.022 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.426 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 28.7 m -61.28 177.45 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.131 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.976 0.417 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -148.11 147.42 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.5 pt -124.02 157.24 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -117.95 120.56 38.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' B' ' 12' ' ' THR . 2.7 t -86.94 118.58 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -101.16 97.15 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.246 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.464 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 28.9 p -73.26 143.95 46.85 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.617 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.488 HD13 HD12 ' A' 1370 ' ' LEU . 92.4 mt -61.66 -16.44 48.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.273 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 70.3 p -79.49 -23.94 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.291 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.42 54.53 0.65 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.356 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -144.88 125.81 14.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.315 . . . . 0.0 110.483 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 33.4 m -98.68 134.67 41.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.0 mt -114.87 116.92 54.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.9 m -89.18 112.71 23.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.02 136.99 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -102.97 114.89 29.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -125.82 -175.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.344 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -122.38 173.86 7.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.657 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -74.29 -12.5 60.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.5 m -98.41 -10.66 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.46 142.56 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.619 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.59 ' H ' HD22 ' B' ' 25' ' ' ASN . 82.7 p -98.54 170.22 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.984 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.656 HD12 HD23 ' B' ' 50' ' ' LEU . 37.4 mm -65.68 -40.13 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -57.91 -37.87 74.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.59 HD22 ' H ' ' B' ' 22' ' ' THR . 92.7 m-20 -64.19 -34.95 79.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.45 -55.31 25.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.565 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 1.6 mmtp -55.61 -46.11 77.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.907 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.3 m -58.87 -40.67 85.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.22 -43.46 94.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.22 -37.01 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -72.73 -31.0 64.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -88.1 -12.01 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.221 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -105.75 -66.58 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -80.82 -71.21 0.48 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.012 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.29 -3.26 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.766 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.495 ' N ' HD12 ' B' ' 36' ' ' ILE . 3.1 mp -68.96 114.71 24.99 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 9.5 Cg_endo -51.38 151.07 14.04 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.712 2.275 . . . . 0.0 112.44 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.543 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 71.9 Cg_endo -77.4 -45.18 0.16 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.742 2.295 . . . . 0.0 113.162 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.77 8.15 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 111.122 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.533 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 14.2 mm100 -124.61 -13.99 6.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.675 ' HB2' HD21 ' B' ' 69' ' ' LEU . 28.4 pt20 -114.51 142.88 45.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.78 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.501 ' HG3' HD22 ' B' ' 71' ' ' LEU . 98.1 mtt180 -134.56 127.4 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.409 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.565 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.7 mm? -89.95 121.16 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.482 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.501 HD13 HG23 ' B' ' 70' ' ' VAL . 3.1 mp -116.69 140.54 38.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.428 ' HB3' HD11 ' B' ' 50' ' ' LEU . 87.3 t80 -142.8 133.15 24.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.67 15.21 7.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.481 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.26 8.44 66.44 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.888 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -116.7 139.55 50.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.629 0.252 . . . . 0.0 110.699 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.619 ' HB2' HD22 ' A' 1378 ' ' LEU . 15.7 tm0? -77.31 128.56 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.71 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.656 HD23 HD12 ' B' ' 23' ' ' ILE . 8.4 mp -87.35 113.32 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.833 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -81.25 165.67 21.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.054 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -92.91 138.14 31.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.71 -32.63 5.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.596 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.551 HH21 ' HB3' ' B' ' 58' ' ' ASP . 45.4 mtp180 -93.38 150.81 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -78.42 -175.43 4.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.264 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.537 HD22 HD12 ' B' ' 61' ' ' ILE . 35.1 mt -78.17 -25.77 47.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -66.5 -21.88 66.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.551 ' HB3' HH21 ' B' ' 54' ' ' ARG . 19.9 m-20 -76.53 -21.97 55.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.38 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -112.84 -3.47 14.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.069 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 m120 55.0 90.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.537 HD12 HD22 ' B' ' 56' ' ' LEU . 58.1 mt -117.4 136.95 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -89.07 -172.6 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -89.87 141.47 28.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 59.13 24.61 12.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -59.31 165.74 2.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 54.0 m -123.86 97.18 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.463 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.0 mp -85.81 -176.36 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.223 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -130.64 159.59 36.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.021 0.439 . . . . 0.0 111.472 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' B' ' 41' ' ' GLN . 0.4 OUTLIER -115.89 112.1 21.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.483 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.76 HG21 HG21 ' A' 1374 ' ' THR . 13.0 t -122.41 171.24 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.582 ' H ' HG12 ' B' ' 70' ' ' VAL . 12.4 tp . . . . . 0 N--CA 1.469 0.511 0 C-N-CA 123.751 0.82 . . . . 0.0 110.275 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 60.7 mttp . . . . . 0 C--O 1.231 0.129 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 59.9 m -63.55 -31.56 72.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.181 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.75 -34.07 77.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.21 93.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 60.9 t -66.99 -48.35 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.318 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.15 -37.62 87.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.55 -41.99 75.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.441 HD12 ' HB1' ' A' 1359 ' ' ALA . 29.6 mt -65.34 -14.71 61.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.221 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 54.6 m -67.53 -27.19 66.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.604 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -79.34 -14.2 81.81 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.469 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 57.8 mmm -68.07 -66.34 0.58 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.795 0.331 . . . . 0.0 110.745 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 170.87 13.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.845 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.91 166.91 20.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.904 0.383 . . . . 0.0 111.358 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 76.7 p -76.63 -179.12 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.673 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -72.97 -37.77 66.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.359 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.05 -61.12 2.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.146 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . 0.443 ' HB3' HD11 ' A' 1377 ' ' LEU . 42.8 mt-10 -48.9 -39.81 27.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . 0.441 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -69.96 -37.6 75.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -61.81 -55.63 27.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -60.99 -41.49 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.714 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.36 -55.21 37.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.406 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' 1369 ' ' ASP . 11.2 mt -57.45 -59.35 5.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.973 0.416 . . . . 0.0 111.199 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.38 -64.35 0.74 Allowed 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.951 -177.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -48.39 -57.43 6.06 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.939 0.774 . . . . 0.0 111.616 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.566 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 73.8 m -57.25 -11.6 1.84 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.769 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' 1366 ' ' CYS . 7.6 t30 95.91 51.86 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.287 0.992 . . . . 0.0 109.118 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.482 ' N ' ' O ' ' A' 1363 ' ' LEU . 74.0 m95 42.89 82.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.836 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.52 ' O ' HD23 ' A' 1363 ' ' LEU . 24.7 m-20 -152.62 129.69 11.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.292 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . 0.536 HD13 HD12 ' B' ' 8' ' ' LEU . 11.1 mt -56.24 -78.35 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . 0.411 ' OE2' ' HB2' ' B' ' 71' ' ' LEU . 12.6 pt-20 -47.94 -34.97 9.89 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.51 0.195 . . . . 0.0 111.39 -178.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' 1366 ' ' CYS . . . -62.63 -44.77 95.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.969 0.414 . . . . 0.0 109.996 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -64.48 -46.39 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.923 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.709 HG22 HD21 ' A' 1378 ' ' LEU . 54.7 m -53.93 -55.43 27.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.525 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.45 -26.73 65.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.947 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.551 ' HA ' ' HB2' ' A' 1380 ' ' SER . 51.0 t80 -71.72 -28.08 63.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.12 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' 1358 ' ' GLU . 3.8 mm? -76.4 -55.99 5.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.202 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.709 HD21 HG22 ' A' 1374 ' ' THR . 0.0 OUTLIER -67.15 -45.33 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.252 -179.095 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -89.39 -67.73 0.82 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.551 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 11.7 m -68.49 -178.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.29 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.115 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -129.48 171.1 12.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.85 150.85 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 89.9 m-85 -114.51 109.67 18.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.283 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 2.8 t -84.33 141.74 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.716 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -118.58 104.92 11.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.806 0.336 . . . . 0.0 111.491 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.404 HG22 HD23 ' B' ' 69' ' ' LEU . 76.7 p -86.44 142.15 28.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.383 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.536 HD12 HD13 ' A' 1370 ' ' LEU . 3.3 mm? -66.95 -17.28 64.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.323 . . . . 0.0 110.724 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.7 p -71.49 -19.49 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.35 48.4 1.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -141.09 145.57 35.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.4 m -116.4 118.03 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.787 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 44.7 mm -99.52 145.35 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.352 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.0 m -127.16 112.75 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.366 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -126.16 144.24 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 111.421 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.38 122.89 43.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.7 176.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.326 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -106.75 173.6 6.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.858 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -72.75 -17.01 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -106.09 10.11 32.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.01 144.07 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.767 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.3 p -91.89 151.14 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.332 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.443 HG22 ' HE3' ' B' ' 27' ' ' LYS . 49.4 mm -58.25 -48.6 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.341 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.436 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 19.8 t70 -56.69 -39.91 74.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -57.7 -42.87 84.62 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.972 0.415 . . . . 0.0 110.481 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.72 -39.28 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.201 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.454 ' HB3' ' NE2' ' B' ' 41' ' ' GLN . 32.3 mmtp -57.4 -46.25 83.66 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.112 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 63.4 m -58.5 -43.96 89.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.45 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -56.92 -43.14 81.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.22 -39.45 83.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.71 -28.74 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.448 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.05 -3.76 53.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.352 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -102.85 -67.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.057 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.67 -67.95 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.38 6.91 0.23 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.457 -0.878 . . . . 0.0 113.091 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.486 HG22 ' HB3' ' B' ' 41' ' ' GLN . 2.7 mp -63.48 131.5 94.85 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.916 0.358 . . . . 0.0 110.36 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.517 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 50.0 Cg_exo -53.09 147.4 34.42 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.242 1.962 . . . . 0.0 112.176 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.688 ' HA ' HE21 ' B' ' 41' ' ' GLN . 86.6 Cg_endo -83.21 -45.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.637 2.225 . . . . 0.0 113.15 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -74.5 0.73 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.671 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.517 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 27.8 mm-40 -113.81 -48.19 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.994 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.688 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.9 pt20 -57.51 145.07 34.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.022 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.609 HH21 ' HG2' ' B' ' 49' ' ' GLN . 78.7 mtp180 -142.64 126.22 16.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.995 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' B' ' 50' ' ' LEU . 2.5 mp -82.6 138.17 34.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.313 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 70.7 mt -137.13 127.63 39.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.447 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -127.84 129.6 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.13 14.68 6.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.448 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.71 18.24 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.749 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -122.79 145.17 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.791 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.609 ' HG2' HH21 ' B' ' 42' ' ' ARG . 8.0 tp-100 -81.61 129.22 34.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' B' ' 43' ' ' LEU . 18.3 mt -89.36 103.21 15.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.655 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.79 140.93 58.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 16.0 m-20 -71.93 138.58 48.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.35 -36.33 4.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.358 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -83.81 173.34 11.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.742 0.306 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.5 p -99.42 -179.41 4.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.473 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' B' ' 61' ' ' ILE . 46.4 mt -76.95 -20.33 56.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.2 p -72.4 -21.56 61.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.285 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.38 -15.07 63.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.376 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.418 ' HB2' HG13 ' B' ' 61' ' ' ILE . 88.0 m-85 -123.97 19.24 9.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.448 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 m120 58.44 18.56 5.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.366 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' B' ' 56' ' ' LEU . 78.2 mt -55.52 118.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -92.53 -170.27 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -78.48 145.94 34.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.928 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 56.97 22.86 7.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.013 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.1 p -59.28 163.84 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.6 m -112.49 111.48 22.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.38 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.808 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.479 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.1 m-70 -128.31 152.21 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' B' ' 41' ' ' GLN . 15.0 tp -123.42 116.26 22.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.056 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' B' ' 42' ' ' ARG . 6.4 m -126.18 142.1 43.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 111.275 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.438 ' N ' HD22 ' B' ' 71' ' ' LEU . 3.6 mm? . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.516 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.9 mtmm . . . . . 0 N--CA 1.462 0.151 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 70.1 m -75.72 -35.86 60.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.385 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.85 -34.03 77.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.341 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -66.28 -46.21 77.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.786 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 48.6 t -57.21 -40.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -65.93 -44.41 85.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.21 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.5 -28.55 69.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.493 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.507 ' HB3' ' HE1' ' A' 1354 ' ' PHE . 38.5 mt -88.12 -22.64 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.211 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 44.9 t -66.68 -25.95 66.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -88.55 -13.14 63.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 75.3 mmm -64.86 -62.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.641 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 170.23 23.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.675 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . 0.507 ' HE1' ' HB3' ' A' 1349 ' ' LEU . 0.2 OUTLIER -148.44 151.6 35.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 77.4 p -61.54 171.13 1.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.491 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.0 -17.25 64.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.085 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -58.45 3.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.87 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.39 -38.7 59.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.547 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . 0.432 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -69.34 -42.01 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.705 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -54.61 -49.9 69.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.05 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -66.33 -48.38 70.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -51.57 -57.65 8.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.236 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' 1368 ' ' TRP . 3.9 mt -59.16 -60.44 3.86 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.65 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -45.7 -65.57 0.52 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.756 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 27.8 tptp -51.26 -53.02 39.55 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.942 0.776 . . . . 0.0 111.841 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.698 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 98.9 m -62.28 -7.74 4.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' 1366 ' ' CYS . 67.8 m-20 94.11 54.57 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.256 0.973 . . . . 0.0 109.582 179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.527 ' N ' ' O ' ' A' 1363 ' ' LEU . 93.5 m95 36.68 85.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.546 -1.206 . . . . 0.0 112.206 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.538 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 18.3 t70 -156.76 136.64 12.55 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.225 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . 0.702 HD13 ' HB3' ' B' ' 8' ' ' LEU . 14.4 mt -58.99 -76.57 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . 0.488 ' HG3' HG13 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -41.92 -49.24 4.56 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' A' 1366 ' ' CYS . . . -59.82 -38.33 81.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.181 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -68.75 -56.03 9.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.516 HG22 HD11 ' A' 1378 ' ' LEU . 4.4 m -55.37 -36.51 66.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.48 -31.38 72.09 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.685 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.69 ' HA ' ' HB2' ' A' 1380 ' ' SER . 73.4 t80 -63.61 -45.17 91.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.268 0.556 . . . . 0.0 109.872 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 28.9 mt -76.89 -20.5 56.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.299 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.516 HD11 HG22 ' A' 1374 ' ' THR . 48.2 mt -95.14 -65.41 0.98 Allowed 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -86.18 -59.22 2.35 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.69 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 5.4 t -36.82 -55.73 0.88 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.845 0.355 . . . . 0.0 111.438 -178.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.027 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.472 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 3.9 ppp? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.033 0.444 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -117.46 165.64 13.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.1 pt -138.52 138.81 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.591 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -102.45 100.39 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 111.126 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.525 HG22 HD11 ' B' ' 43' ' ' LEU . 50.3 t -86.29 110.96 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.781 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -101.13 134.9 43.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 111.137 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.526 HG22 ' HB3' ' B' ' 69' ' ' LEU . 66.1 p -102.81 142.04 34.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.209 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.702 ' HB3' HD13 ' A' 1370 ' ' LEU . 93.7 mt -70.12 2.36 3.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 111.03 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 77.5 p -90.71 -10.12 44.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.7 49.17 1.69 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.481 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -144.85 138.17 26.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 111.013 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -107.05 138.22 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 78.5 mt -127.79 141.23 46.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.371 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -126.9 121.16 30.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.397 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.576 HD11 ' HE3' ' B' ' 29' ' ' LYS . 26.0 tp -124.98 143.74 50.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.079 0.466 . . . . 0.0 111.733 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -103.01 108.92 20.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.756 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.1 m -130.6 161.69 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.45 . . . . 0.0 111.898 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -88.08 169.18 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -75.6 -1.86 26.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.4 m -111.37 -3.2 15.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.2 142.0 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.674 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.519 ' H ' HD22 ' B' ' 25' ' ' ASN . 63.1 p -94.03 164.68 12.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.378 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.457 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.6 mm -63.32 -38.56 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 14.4 t70 -59.77 -33.97 72.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.664 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.519 HD22 ' H ' ' B' ' 22' ' ' THR . 93.9 m-20 -67.85 -36.31 80.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.78 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -60.27 -53.93 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.154 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.55 ' HE2' HD23 ' B' ' 43' ' ' LEU . 1.9 mmtp -49.22 -47.82 45.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.558 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -63.49 -49.32 74.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.576 ' HE3' HD11 ' B' ' 15' ' ' LEU . 30.9 mtpp -56.91 -30.03 63.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.0 mt -78.02 -40.13 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.56 -36.48 80.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -83.62 -15.92 47.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -90.18 -68.36 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.8 -71.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.617 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.49 2.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.8 mm -62.48 127.27 89.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.455 0.128 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.567 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 37.1 Cg_exo -56.83 127.66 26.75 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.34 2.027 . . . . 0.0 112.19 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.525 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 37.0 Cg_endo -66.22 -40.47 15.12 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.539 2.159 . . . . 0.0 112.879 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.84 7.51 5.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.547 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 14.8 mm100 -126.66 -20.68 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.525 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.1 pt20 -95.26 143.23 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.478 ' HB3' HE22 ' B' ' 49' ' ' GLN . 81.5 mtt180 -134.88 122.39 21.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.55 HD23 ' HE2' ' B' ' 27' ' ' LYS . 2.1 mm? -79.1 131.54 36.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.511 HD13 HD11 ' A' 1378 ' ' LEU . 23.3 mt -131.59 150.28 33.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.99 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.408 ' HB2' HD22 ' B' ' 67' ' ' LEU . 82.7 t80 -159.75 143.53 14.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.59 17.1 3.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.415 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.49 -20.12 39.94 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.381 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -93.7 141.56 28.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.478 HE22 ' HB3' ' B' ' 42' ' ' ARG . 54.5 tp60 -69.29 142.65 54.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.152 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.544 HD12 ' HB3' ' B' ' 43' ' ' LEU . 74.1 mt -100.53 95.3 6.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.467 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.05 158.4 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.039 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 5.1 p-10 -87.39 150.37 23.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.787 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.47 -50.43 0.81 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.342 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.1 mmp_? -71.1 160.9 32.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.75 0.309 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -83.33 -174.89 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.013 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.456 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 24.2 mt -85.18 -10.03 57.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.006 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -81.09 -25.83 36.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.57 -5.93 40.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -127.68 9.54 6.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.291 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 56.02 32.27 19.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.368 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.456 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 29.2 mm -59.51 110.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -78.64 175.93 9.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.013 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.472 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 28.2 mmtp -75.75 140.15 42.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.74 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 59.33 20.5 8.72 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.917 0.389 . . . . 0.0 110.707 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 95.9 p -59.0 134.27 56.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.041 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 45.8 m -85.06 97.04 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.736 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' B' ' 6' ' ' LYS . 47.6 mt -82.71 175.64 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -127.75 158.48 37.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.882 0.372 . . . . 0.0 111.088 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.526 ' HB3' HG22 ' B' ' 7' ' ' THR . 6.2 tt -132.57 113.06 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.43 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.488 HG13 ' HG3' ' A' 1371 ' ' GLU . 57.9 t -122.83 150.67 26.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 16.8 tp . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.976 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . 0.405 ' HB2' ' NZ ' ' A' 1342 ' ' LYS . 10.3 mtmp? . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.741 0.305 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 26.6 t -84.2 -40.22 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.245 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 54.3 tp -55.26 -41.3 72.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.358 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -64.59 -50.69 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.804 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 61.0 t -58.47 -34.11 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -69.63 -45.01 69.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.805 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.24 -32.9 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.442 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.426 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 83.3 mt -76.42 -16.1 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.267 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 48.1 t -74.12 -21.46 59.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -91.56 0.5 74.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.235 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 92.0 mmm -80.83 -58.09 3.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.834 0.349 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 165.44 16.43 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.734 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . 0.426 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.2 OUTLIER -141.16 147.76 38.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 111.071 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 67.6 p -58.71 168.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.707 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -67.07 -26.62 66.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.713 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.55 -59.96 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.748 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -54.58 -41.2 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.067 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.27 -32.05 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.26 -52.73 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -62.14 -45.99 90.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.47 -50.93 64.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' 1368 ' ' TRP . 1.0 OUTLIER -60.21 -60.05 4.43 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.499 -179.462 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.44 -64.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.317 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -51.37 -53.57 35.05 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.807 0.692 . . . . 0.0 111.421 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.519 ' O ' ' HB2' ' A' 1367 ' ' ASN . 89.6 m -60.3 -8.5 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' 1366 ' ' CYS . 16.9 m120 94.85 52.82 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.306 1.004 . . . . 0.0 109.351 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' 1363 ' ' LEU . 79.4 m95 42.48 37.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.77 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.451 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 13.1 m-20 -98.09 136.99 37.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.364 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . 0.47 ' HG ' HD21 ' B' ' 8' ' ' LEU . 18.3 tp -71.83 -65.79 0.72 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . 0.422 ' OE1' ' HB3' ' A' 1369 ' ' ASP . 0.1 OUTLIER -52.67 -37.71 59.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.692 0.282 . . . . 0.0 111.12 -179.592 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -66.22 -36.07 82.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.027 0.441 . . . . 0.0 110.436 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . 0.495 ' HB2' ' HG ' ' A' 1363 ' ' LEU . . . -64.77 -50.91 64.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.268 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.543 HG21 HG21 ' B' ' 70' ' ' VAL . 25.8 m -57.31 -46.35 83.28 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.665 ' HA ' HD12 ' A' 1378 ' ' LEU . 4.4 t30 -61.51 -28.11 69.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.097 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' A' 1373 ' ' ALA . 36.0 t80 -66.06 -51.7 55.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.057 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.69 -21.71 65.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' 1375 ' ' ASN . 59.8 mt -80.16 -60.66 2.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.274 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.14 -66.46 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.511 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 51.6 m -48.51 111.17 0.42 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.332 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.037 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.0 0.429 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -100.2 149.21 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 pt -134.07 156.27 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -122.1 103.28 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.32 141.96 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.961 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' B' ' 6' ' ' LYS . 3.9 ttmp? -127.57 96.64 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.156 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.582 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.4 p -61.27 144.07 54.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.64 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.47 HD21 ' HG ' ' A' 1370 ' ' LEU . 12.7 tp -71.37 -0.66 10.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.223 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -89.95 -34.03 16.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.743 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.38 47.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.59 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -143.34 145.78 32.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 84.1 m -113.92 142.66 45.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.6 mt -134.23 144.83 34.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 58.7 m -113.59 123.87 50.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.9 tp -128.19 148.22 50.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.993 0.425 . . . . 0.0 111.378 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -109.55 99.05 8.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.013 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.74 -175.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.301 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -130.32 159.47 36.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.91 0.386 . . . . 0.0 110.981 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.4 m -68.65 -13.65 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.783 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -92.05 -17.91 24.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.737 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.87 136.87 43.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.928 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 81.9 p -77.37 -177.28 4.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.298 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.9 mm -75.28 -50.19 25.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.161 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.423 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 4.5 p30 -56.84 -38.71 73.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -56.49 -44.35 80.59 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.552 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.99 -37.47 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.58 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.557 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 32.0 mmtp -57.68 -42.3 83.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.6 t -65.47 -47.43 76.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.436 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -54.95 -35.77 64.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.609 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.7 mt -72.31 -39.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.309 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -58.98 -35.09 72.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.359 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -89.69 -13.46 36.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -84.9 -67.88 0.77 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.728 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.56 -61.63 1.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.0 4.04 1.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.165 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.08 120.91 79.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 110.789 -0.078 . . . . 0.0 110.789 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.3 Cg_exo -53.85 146.99 43.41 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.452 2.102 . . . . 0.0 112.717 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.525 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 21.5 Cg_exo -65.56 -45.11 7.32 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.613 2.208 . . . . 0.0 112.389 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.71 9.04 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.581 ' O ' ' HA ' ' B' ' 71' ' ' LEU . 33.4 tt0 -126.31 -18.41 4.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.677 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.588 ' HB2' HD21 ' B' ' 69' ' ' LEU . 12.1 pt20 -99.77 136.37 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.028 0.442 . . . . 0.0 111.811 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -130.5 131.11 44.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.245 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.557 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.7 mp -93.24 124.08 36.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.574 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.473 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 67.7 mt -125.1 139.51 50.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.8 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -142.13 131.13 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.78 14.27 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.349 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.61 30.07 14.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.243 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -131.34 133.11 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.539 ' HB2' HD22 ' A' 1378 ' ' LEU . 24.5 tp60 -77.51 113.97 15.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' B' ' 43' ' ' LEU . 76.2 mt -76.23 102.97 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.31 151.15 48.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.423 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 5.1 p-10 -78.53 149.81 33.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.35 -43.85 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -81.1 178.85 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.3 p -103.68 -174.29 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.2 mt -76.92 -33.8 57.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 81.1 p -69.4 -23.25 63.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.9 -18.91 65.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -123.59 4.81 8.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 59.01 92.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.233 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.6 mt -124.26 109.86 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.763 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -67.64 -174.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -84.37 148.04 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.42 19.88 6.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.263 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.6 m -59.4 150.3 26.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.786 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -101.16 104.45 15.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.21 172.62 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.667 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.473 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.0 m-70 -127.86 144.19 51.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 111.319 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' B' ' 41' ' ' GLN . 0.3 OUTLIER -112.35 109.21 18.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.266 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.543 HG21 HG21 ' A' 1374 ' ' THR . 38.5 t -120.73 154.05 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.581 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 1.3 tt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.787 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.731 0.301 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 48.0 t -80.09 -36.35 35.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.692 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.0 -34.41 74.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.176 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.77 68.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 0.0 110.405 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 39.9 t -68.06 -31.6 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.86 -41.92 61.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.244 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.17 -37.4 80.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.433 ' HB3' ' HE1' ' A' 1354 ' ' PHE . 75.4 mt -74.0 -37.02 64.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.834 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.3 t -56.26 -29.6 61.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.27 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -90.4 35.01 3.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.677 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 82.6 mtp -121.25 -58.78 1.77 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.74 0.305 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 178.19 16.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.733 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . 0.433 ' HE1' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -145.74 147.83 32.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 111.051 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 70.3 p -63.06 169.68 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.66 -22.61 66.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -71.19 -53.02 15.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.667 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.67 -38.0 77.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.47 83.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.969 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -58.82 -49.98 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -63.22 -45.99 89.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.18 -54.69 36.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.256 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' 1369 ' ' ASP . 6.0 mt -59.27 -59.63 5.15 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.53 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -45.48 -64.88 0.63 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.332 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 62.5 tttp -50.8 -54.32 24.56 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.911 0.757 . . . . 0.0 111.636 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.521 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 87.2 m -58.7 -10.26 2.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' 1366 ' ' CYS . 71.4 m-20 94.42 53.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.298 0.999 . . . . 0.0 109.308 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' 1363 ' ' LEU . 75.9 m95 39.18 82.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.726 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 16.4 t70 -153.87 134.25 13.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.189 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . 0.477 HD22 HD12 ' B' ' 8' ' ' LEU . 13.1 mt -62.35 -73.98 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -48.71 -34.92 12.91 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.536 0.208 . . . . 0.0 111.409 -178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -69.73 -39.91 76.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.892 0.377 . . . . 0.0 110.534 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -64.14 -49.96 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.67 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.642 HG21 HG21 ' B' ' 70' ' ' VAL . 26.1 m -62.25 -50.44 71.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.978 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.676 ' HA ' HD12 ' A' 1378 ' ' LEU . 3.4 t30 -53.81 -32.79 54.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.32 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.519 ' O ' ' HB3' ' A' 1380 ' ' SER . 91.3 t80 -74.49 -56.43 4.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.763 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 79.6 mt -50.97 -26.1 5.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.067 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' 1375 ' ' ASN . 45.3 mt -70.39 -56.09 7.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.312 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -94.1 -67.43 0.86 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.378 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.519 ' HB3' ' O ' ' A' 1376 ' ' PHE . 24.9 p 39.81 89.58 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.885 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.118 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.856 0.36 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -138.13 156.03 48.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.683 ' HB ' HD23 ' B' ' 67' ' ' LEU . 36.4 pt -135.35 156.12 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -116.63 94.55 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.269 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.548 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 77.5 t -65.03 147.35 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.941 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -127.63 110.2 12.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.498 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 58.4 p -87.85 146.23 25.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.014 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.646 HD21 HG22 ' B' ' 70' ' ' VAL . 3.3 mm? -62.89 -20.94 65.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.808 0.337 . . . . 0.0 111.01 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 39.5 m -67.02 -23.72 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.04 52.65 0.73 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.404 ' HE3' ' OE1' ' B' ' 34' ' ' GLU . 56.8 tttm -138.81 144.94 39.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -117.69 100.96 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.548 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 72.1 mt -85.76 133.27 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.409 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.5 m -107.75 113.02 25.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.47 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.0 tp -120.25 150.85 40.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -116.7 114.51 24.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.777 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.6 -170.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.052 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -119.96 167.19 12.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -72.34 -17.74 61.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.8 t -92.5 -12.56 31.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.053 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.26 150.47 34.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 21.3 p -90.79 171.99 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.43 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.42 -58.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.536 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -51.26 -37.94 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -55.66 -45.85 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.163 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.484 HG11 HD21 ' B' ' 43' ' ' LEU . 60.2 t -59.82 -43.96 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.475 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -52.71 -43.22 65.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.631 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.5 m -64.75 -48.29 75.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.758 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.35 -31.88 64.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.737 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.4 mt -76.02 -37.51 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -61.03 -40.14 92.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -81.98 -16.62 49.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -79.78 -37.35 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.571 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.404 ' OE1' ' HE3' ' B' ' 11' ' ' LYS . 58.4 mm-40 -130.71 -68.72 0.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.42 4.57 0.3 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.4 mm -61.67 129.4 91.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.781 0.29 . . . . 0.0 110.632 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.1 Cg_endo -55.46 129.22 33.98 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.673 2.248 . . . . 0.0 112.428 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 8.1 Cg_exo -73.21 -31.04 9.86 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.82 2.347 . . . . 0.0 112.552 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -78.31 0.94 23.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.319 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -123.45 -43.77 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.248 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.521 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 12.5 pt20 -66.6 157.81 31.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.609 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -149.52 145.4 26.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.422 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.484 HD21 HG11 ' B' ' 26' ' ' VAL . 2.1 mp -94.94 130.26 41.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.346 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.581 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 4.7 mp -124.58 139.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.557 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.429 ' HE1' ' HB2' ' B' ' 65' ' ' SER . 66.7 t80 -138.75 131.79 29.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.88 19.63 2.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.474 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.03 -30.84 9.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.594 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -90.92 122.05 33.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 4.1 pt20 -72.37 155.08 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.527 HD21 HD11 ' B' ' 61' ' ' ILE . 5.7 mp -106.32 124.09 49.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.04 140.28 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.44 159.7 9.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.57 -32.79 4.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.641 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.434 HH21 ' HB3' ' B' ' 58' ' ' ASP . 47.7 mtp180 -81.72 176.14 9.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.689 0.28 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -105.77 155.33 19.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.163 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.542 ' HB3' HD12 ' B' ' 61' ' ' ILE . 54.3 mt -62.98 -14.88 53.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -81.26 -21.96 39.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.342 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.434 ' HB3' HH21 ' B' ' 54' ' ' ARG . 4.1 m-20 -73.25 -4.21 31.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.416 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -126.44 -3.92 6.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.486 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t30 57.46 96.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.758 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' B' ' 56' ' ' LEU . 56.5 mt -121.0 128.16 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -80.11 178.14 8.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.404 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -84.61 146.06 27.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.711 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 56.19 21.49 5.29 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.903 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.429 ' HB2' ' HE1' ' B' ' 45' ' ' PHE . 91.9 p -63.93 -179.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.348 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.9 m -117.94 119.01 33.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.683 HD23 ' HB ' ' B' ' 3' ' ' ILE . 4.6 mm? -103.67 163.98 11.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.578 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.581 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 44.7 m-70 -129.04 125.29 36.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 111.032 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 41' ' ' GLN . 20.8 tp -104.21 106.02 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.646 HG22 HD21 ' B' ' 8' ' ' LEU . 8.4 t -120.36 147.11 24.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.647 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 -179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.462 0.128 0 CA-C-O 120.64 0.257 . . . . 0.0 111.663 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 66.5 m -76.35 -34.54 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.119 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.49 -43.27 88.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . 0.479 ' HA ' HD23 ' A' 1370 ' ' LEU . . . -61.17 -44.12 97.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 36.3 t -62.82 -34.77 67.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.652 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -70.59 -42.91 70.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.466 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -29.06 69.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.389 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.488 HD12 ' HB1' ' A' 1359 ' ' ALA . 28.7 mt -80.6 -36.37 32.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.669 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.9 t -66.06 -11.42 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -106.15 11.01 44.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.676 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.1 mtp -96.9 -49.43 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.718 0.294 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 169.04 18.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.7 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . 0.412 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -145.79 174.96 10.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 111.264 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 70.7 p -84.39 174.9 9.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.513 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -73.15 -23.16 60.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.7 -62.51 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.06 -31.28 40.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . 0.488 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -72.85 -36.3 67.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.676 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -64.06 -45.01 90.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -67.43 -52.66 36.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.09 -45.47 68.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.277 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.517 ' HA ' ' HB2' ' A' 1373 ' ' ALA . 17.3 mt -63.87 -59.62 4.3 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.555 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -45.87 -64.46 0.73 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.696 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . 0.407 ' C ' ' H ' ' A' 1367 ' ' ASN . 23.7 tptm -52.15 -52.54 51.18 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 124.0 0.812 . . . . 0.0 112.185 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.529 ' O ' ' HB2' ' A' 1367 ' ' ASN . 2.7 p -58.94 -9.57 1.94 Allowed 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' 1366 ' ' CYS . 45.4 m-80 92.39 53.78 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.487 0 O-C-N 124.408 1.068 . . . . 0.0 109.654 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.43 ' N ' ' O ' ' A' 1363 ' ' LEU . 82.2 m95 39.49 74.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.654 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 13.5 m-20 -143.48 126.32 16.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.259 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . 0.554 HD12 HD13 ' B' ' 8' ' ' LEU . 2.4 tm? -49.76 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . 0.451 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -54.55 -44.65 73.08 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.361 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -56.74 -34.96 68.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -67.65 -41.04 84.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.626 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . . . . . . . . . 21.5 m -63.78 -54.49 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.051 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 1.6 t30 -55.69 -34.15 64.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.859 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.501 ' HA ' ' HB2' ' A' 1380 ' ' SER . 46.7 t80 -71.99 -35.58 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.777 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 16.0 tp -77.3 -19.65 56.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.473 HD22 ' HB2' ' B' ' 49' ' ' GLN . 50.8 mt -89.19 -64.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.772 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -81.07 -63.37 1.42 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.319 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.501 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 4.1 m -60.64 -179.93 0.14 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.124 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.249 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.709 0.29 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -118.55 154.42 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 111.458 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 pt -134.48 159.03 42.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -123.29 104.53 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.972 0.415 . . . . 0.0 111.411 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.481 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 53.4 t -95.26 130.0 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.141 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.494 ' HD3' ' ND1' ' B' ' 68' ' ' HIS . 13.4 ptmm? -110.83 133.65 53.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 111.801 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.404 HG22 ' CD2' ' B' ' 69' ' ' LEU . 73.1 p -85.1 155.16 21.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.01 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.554 HD13 HD12 ' A' 1370 ' ' LEU . 87.1 mt -75.5 6.92 4.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 111.071 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 64.4 m -103.43 -27.55 12.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.63 57.2 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -144.21 137.99 27.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 111.036 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.1 m -93.61 143.53 26.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.313 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.481 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 71.8 mt -128.5 109.71 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.244 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 33.0 m -97.98 117.22 31.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.339 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.2 tp -129.01 136.49 50.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.913 0.387 . . . . 0.0 111.777 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -98.09 98.24 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.145 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -112.36 -169.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.735 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.43 164.79 26.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.552 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -75.9 5.57 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.311 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -106.53 -22.15 12.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -65.82 157.9 29.21 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.287 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 75.2 p -110.29 157.95 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.34 -40.53 57.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.63 -33.11 65.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.443 ' ND2' ' HE3' ' B' ' 29' ' ' LYS . 47.7 t30 -81.89 -29.16 32.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 98.9 t -61.87 -53.78 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.023 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.567 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 4.8 mptp? -52.89 -36.27 59.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.1 t -65.17 -49.9 68.02 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.509 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.443 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 98.8 mttt -56.57 -36.07 68.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.403 ' HB ' HE22 ' B' ' 41' ' ' GLN . 63.1 mt -70.28 -37.62 71.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.404 ' HB3' HE21 ' B' ' 31' ' ' GLN . 6.6 tt0 -59.88 -42.22 93.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.325 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.79 -6.64 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.456 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -92.3 -32.79 14.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -131.6 -69.41 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.1 -7.26 0.25 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.694 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mm -65.08 118.67 51.79 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.712 0.256 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.486 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 52.6 Cg_exo -53.8 132.02 47.24 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.493 2.128 . . . . 0.0 112.284 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.567 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.2 Cg_exo -59.0 -39.21 82.81 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.536 2.157 . . . . 0.0 112.42 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.94 -10.88 23.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.263 0.554 . . . . 0.0 110.064 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.653 ' O ' ' HB3' ' B' ' 71' ' ' LEU . 23.5 mt-30 -109.55 -16.05 14.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.539 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.503 ' C ' ' HZ2' ' B' ' 27' ' ' LYS . 33.1 mt-30 -93.74 128.83 40.16 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.475 ' HD2' HD23 ' B' ' 71' ' ' LEU . 94.8 mtt180 -136.27 124.31 22.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.828 177.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.5 ' HG ' ' NZ ' ' B' ' 27' ' ' LYS . 30.9 mt -88.02 147.01 25.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 111.879 -178.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.467 HD11 HG11 ' B' ' 70' ' ' VAL . 18.3 mt -134.78 128.48 50.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.749 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -132.16 139.29 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.745 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.78 14.56 6.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.418 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.38 -15.41 62.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.953 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -104.15 138.51 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.337 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.473 ' HB2' HD22 ' A' 1378 ' ' LEU . 35.8 tt0 -70.97 151.8 44.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.466 ' N ' HD12 ' B' ' 50' ' ' LEU . 6.2 mp -103.74 122.64 45.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.931 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -79.99 176.86 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -101.15 14.34 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -111.81 10.72 27.61 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.85 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -136.1 170.65 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.4 p -101.78 179.91 4.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.5 mt -72.17 -24.1 61.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.979 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.7 m -76.68 -21.99 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -70.26 -17.78 63.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.206 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.493 ' HB2' HG13 ' B' ' 61' ' ' ILE . 76.8 m-85 -110.44 5.13 21.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.059 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 56.57 26.98 11.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.311 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.493 HG13 ' HB2' ' B' ' 59' ' ' TYR . 54.3 mt -57.77 120.34 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.97 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -75.61 179.74 5.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -82.26 147.59 28.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 57.06 19.9 5.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t -61.71 168.87 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 55.3 m -123.97 107.81 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.481 ' HB3' HD22 ' B' ' 43' ' ' LEU . 9.1 mp -97.47 162.48 13.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.458 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.494 ' ND1' ' HD3' ' B' ' 6' ' ' LYS . 25.5 m-70 -112.51 144.64 41.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.066 0.46 . . . . 0.0 111.697 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.404 ' CD2' HG22 ' B' ' 7' ' ' THR . 54.0 tp -95.9 138.67 33.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.06 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.553 HG22 ' H ' ' B' ' 71' ' ' LEU . 1.3 p -146.99 172.24 3.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.653 ' HB3' ' O ' ' B' ' 40' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.469 0.487 0 O-C-N 124.282 0.989 . . . . 0.0 110.588 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 51.2 pttt . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 19.8 m -57.19 -16.22 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.687 0.279 . . . . 0.0 110.768 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.19 -43.54 95.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.435 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.29 89.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.915 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.9 t -61.4 -35.96 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -73.58 -37.55 65.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -67.84 -33.27 74.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.031 0.443 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.462 HD12 HD11 ' A' 1363 ' ' LEU . 91.0 mt -76.43 -21.99 55.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 46.4 t -65.18 -30.41 71.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -90.12 42.07 2.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.424 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 82.3 mtp -133.11 -51.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.6 0.238 . . . . 0.0 111.092 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 162.73 15.81 0.03 OUTLIER Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.028 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.03 149.4 44.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.956 0.408 . . . . 0.0 111.245 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 66.7 p -68.57 170.9 8.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.328 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . 0.458 ' H ' ' CD ' ' A' 1356 ' ' GLU . 2.3 mp0 -67.76 -27.6 66.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.33 -61.35 2.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.689 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -53.66 -35.58 61.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.767 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -69.77 -39.2 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.84 -53.84 52.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . 0.432 ' O ' ' HD3' ' A' 1365 ' ' LYS . 47.4 m-80 -62.11 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.6 -54.86 41.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.345 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' 1368 ' ' TRP . 6.8 mt -57.98 -59.2 5.63 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.309 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -45.73 -64.59 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.283 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' 1361 ' ' ASN . 5.6 mptp? -49.7 -55.83 12.42 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.776 0.673 . . . . 0.0 111.751 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.449 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 97.7 m -56.11 -13.0 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.656 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' 1366 ' ' CYS . 8.4 t30 96.38 52.11 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.353 1.033 . . . . 0.0 109.074 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' 1363 ' ' LEU . 83.0 m95 38.93 73.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.679 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 22.1 m-20 -137.3 135.38 37.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.574 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.02 -39.05 25.46 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.813 -178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -61.71 -42.64 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.377 . . . . 0.0 111.173 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . 0.419 ' HB2' HD23 ' A' 1363 ' ' LEU . . . -58.76 -52.63 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.68 HG21 HG21 ' B' ' 70' ' ' VAL . 29.6 m -55.28 -43.34 74.63 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 3.5 t30 -62.91 -27.4 69.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.116 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' 1380 ' ' SER . 41.6 t80 -70.53 -40.11 73.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.948 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.71 -19.92 61.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.874 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.552 HD22 ' HB2' ' B' ' 49' ' ' GLN . 60.8 mt -86.88 -64.39 1.16 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.541 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -85.6 -61.49 1.75 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.643 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' 1376 ' ' PHE . 60.7 m -57.99 -10.87 2.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.481 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.17 179.879 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.446 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 25.5 ptm . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -111.3 149.94 30.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.9 pt -132.52 146.68 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.779 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 91.7 m-85 -114.42 106.21 14.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.238 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.565 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 48.3 t -75.45 144.69 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.628 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -130.7 100.97 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.436 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.466 ' HB ' HG22 ' B' ' 9' ' ' THR . 47.0 p -89.65 143.3 26.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.198 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.495 HD21 HG22 ' B' ' 70' ' ' VAL . 3.1 mm? -65.02 -19.73 66.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.669 0.271 . . . . 0.0 111.084 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.466 HG22 ' HB ' ' B' ' 7' ' ' THR . 5.9 t -72.02 -6.78 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.73 52.69 2.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.57 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -141.3 125.69 17.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 110.662 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 80.2 m -105.77 130.69 53.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.583 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.565 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 21.9 mt -116.13 149.4 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.479 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 66.1 m -126.62 112.75 15.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.439 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 51.1 tp -126.79 146.56 50.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.387 . . . . 0.0 111.382 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -111.12 106.24 15.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.16 -171.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.173 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -114.46 172.51 6.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p -75.41 -15.2 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -93.3 -12.4 30.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.52 133.28 50.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.8 p -82.28 -173.75 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.2 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.436 HG22 ' HE3' ' B' ' 27' ' ' LYS . 36.7 mm -80.2 -50.22 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.649 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.28 -33.08 67.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.158 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -62.07 -40.61 96.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.31 -34.39 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.559 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.509 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 32.7 mmtp -60.1 -44.31 94.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.7 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -67.28 -48.23 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.748 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -53.49 -38.53 63.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.1 mt -75.68 -34.21 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.679 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.14 -34.35 76.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -79.42 -12.08 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -94.73 -66.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.807 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -91.07 -74.95 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.35 51.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.243 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.461 HG22 ' HB3' ' B' ' 41' ' ' GLN . 4.2 mp -98.55 130.68 27.47 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.42 114.52 1.86 Allowed 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.523 2.148 . . . . 0.0 112.771 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.546 ' HA ' HE21 ' B' ' 41' ' ' GLN . 35.9 Cg_exo -62.25 -19.95 68.51 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.71 2.274 . . . . 0.0 112.749 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.51 -1.86 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.632 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.672 HE21 HD23 ' B' ' 71' ' ' LEU . 22.2 mt-30 -129.45 -42.51 1.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.672 0.272 . . . . 0.0 111.618 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.557 ' HB2' HD21 ' B' ' 69' ' ' LEU . 28.4 pt20 -61.08 157.2 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 0.0 111.749 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.615 HH21 ' HG2' ' B' ' 49' ' ' GLN . 12.0 ptm180 -161.51 142.9 11.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.249 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.509 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 69.6 mt -92.29 142.76 27.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.951 0.405 . . . . 0.0 111.85 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.562 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 5.0 mp -132.37 142.24 43.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.817 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -145.36 130.11 18.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.63 17.83 8.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.34 18.54 62.25 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.282 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -127.46 127.5 44.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.733 0.301 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.615 ' HG2' HH21 ' B' ' 42' ' ' ARG . 7.4 tp-100 -61.92 139.82 58.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.047 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' B' ' 43' ' ' LEU . 66.6 mt -93.78 98.79 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.48 136.61 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.46 146.68 52.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.26 -36.58 4.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.403 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -86.6 146.77 26.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.677 0.275 . . . . 0.0 110.735 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.8 p -74.07 -177.46 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.9 mt -81.94 -8.77 59.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.17 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.6 p -81.22 -22.17 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.169 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.87 -4.86 34.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.325 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.516 ' HB2' HG13 ' B' ' 61' ' ' ILE . 88.7 m-85 -129.58 14.49 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.231 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 56.77 22.57 7.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.498 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.516 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.7 mt -62.42 105.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.789 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.97 -167.79 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.386 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.446 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 20.6 mmtp -85.22 151.95 23.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.075 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.2 24.51 11.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 p -67.69 157.08 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.198 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 30.7 m -102.85 106.59 17.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.731 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.07 153.06 18.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.467 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.562 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.1 m-70 -114.7 127.87 56.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.173 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' B' ' 41' ' ' GLN . 2.9 tm? -110.03 111.53 22.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.759 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.68 HG21 HG21 ' A' 1374 ' ' THR . 4.3 t -124.56 156.55 32.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.657 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.672 HD23 HE21 ' B' ' 40' ' ' GLN . 8.8 mp . . . . . 0 C--N 1.328 -0.36 0 CA-C-O 121.036 0.446 . . . . 0.0 111.378 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 51.9 mtmt . . . . . 0 CA--C 1.529 0.142 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.8 t -81.44 -48.08 12.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.63 0.253 . . . . 0.0 111.306 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.95 -28.83 58.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -68.93 -48.2 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . 0.433 HG13 ' HB3' ' A' 1359 ' ' ALA . 38.3 t -61.71 -33.39 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.189 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -72.33 -44.64 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.95 -37.15 83.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.761 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.476 HD12 ' HB1' ' A' 1359 ' ' ALA . 93.2 mt -74.75 -40.01 61.49 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.222 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 86.7 p -62.8 -15.31 53.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.152 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -101.0 11.8 58.89 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.638 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.3 mtp -99.9 -44.92 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.326 . . . . 0.0 110.974 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 168.83 -2.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.743 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.45 175.95 5.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 41.2 p -89.71 174.99 7.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.98 -25.98 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.49 -52.49 21.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.521 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.94 -32.48 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.25 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . 0.476 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -70.5 -47.51 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.859 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -57.81 -45.77 85.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -65.94 -49.22 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.068 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.34 -53.35 55.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.369 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' 1369 ' ' ASP . 9.0 mt -57.33 -59.33 5.29 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -45.3 -64.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.005 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -49.11 -55.78 11.17 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.956 0.785 . . . . 0.0 111.83 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.475 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 72.4 m -58.78 -10.16 2.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.684 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' 1366 ' ' CYS . 11.0 m120 93.25 53.26 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 124.257 0.973 . . . . 0.0 109.063 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.471 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.0 m95 41.31 81.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.651 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.662 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 18.0 t70 -148.06 132.91 18.03 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . 0.577 HD12 HD13 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -55.58 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.664 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -49.69 -44.62 48.15 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.662 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -56.8 -39.23 73.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.766 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -64.88 -47.06 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.506 ' HB ' HG21 ' B' ' 70' ' ' VAL . 90.6 m -62.57 -55.8 23.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.946 0.403 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.56 ' HA ' HD12 ' A' 1378 ' ' LEU . 3.6 t30 -51.55 -34.08 35.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.497 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.514 ' O ' ' HB3' ' A' 1380 ' ' SER . 80.5 t80 -69.49 -61.7 1.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.75 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 76.8 mt -50.69 -32.72 20.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.445 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.6 HD22 HE21 ' B' ' 49' ' ' GLN . 82.6 mt -61.95 -54.6 39.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -94.26 -68.13 0.82 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' 1376 ' ' PHE . 19.7 p 38.75 33.67 0.08 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.006 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.147 -179.9 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -134.98 154.11 51.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -129.94 170.41 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.031 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -129.58 103.85 7.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.329 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.0 t -88.39 112.32 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.823 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -100.83 121.29 41.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.311 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.462 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 67.3 p -85.17 145.05 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.435 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.577 HD13 HD12 ' A' 1370 ' ' LEU . 94.5 mt -68.27 -5.21 17.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.118 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -83.27 -20.93 33.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.952 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.0 51.45 0.64 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.635 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -144.06 145.0 31.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 55.5 m -110.09 130.06 55.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -119.88 129.69 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.398 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 31.4 m -109.34 112.84 25.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.672 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.505 HD11 HG12 ' B' ' 30' ' ' ILE . 37.5 mt -116.42 171.43 7.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.138 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -129.3 117.75 21.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.629 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.48 -171.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.38 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -128.28 172.12 11.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.1 m -75.97 -0.01 20.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.1 m -123.5 -6.71 8.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.81 145.0 56.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 35.4 p -88.32 178.42 6.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.518 HD12 HD13 ' B' ' 50' ' ' LEU . 47.7 mm -79.98 -54.69 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.253 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.81 -33.94 57.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -58.52 -43.54 89.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.028 0.442 . . . . 0.0 109.831 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.28 -40.17 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.371 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.59 ' HB3' HE21 ' B' ' 41' ' ' GLN . 31.2 mmtp -59.55 -39.61 84.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.017 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -65.56 -40.05 92.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.245 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -60.33 -40.71 91.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.457 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.505 HG12 HD11 ' B' ' 15' ' ' LEU . 66.3 mt -70.13 -34.81 60.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -68.59 -32.62 72.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.063 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -86.64 -23.25 25.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.525 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -90.46 -60.96 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.682 0.277 . . . . 0.0 111.373 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -89.88 -75.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.136 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.27 11.41 0.48 Allowed Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.361 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.499 ' N ' HD12 ' B' ' 36' ' ' ILE . 3.1 mp -69.06 134.26 89.66 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 117.093 0.447 . . . . 0.0 110.081 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.5 Cg_endo -52.09 126.05 19.12 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.537 2.158 . . . . 0.0 112.355 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 12.4 Cg_exo -70.76 -30.15 18.03 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.814 2.343 . . . . 0.0 112.683 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.59 -0.28 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.392 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -123.26 -35.55 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.513 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.59 HE21 ' HB3' ' B' ' 27' ' ' LYS . 14.1 pt20 -71.28 138.81 49.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.961 0.41 . . . . 0.0 111.298 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -138.91 133.36 31.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.443 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.555 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 77.7 mt -98.57 113.89 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.285 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.528 HD13 HD21 ' A' 1378 ' ' LEU . 16.8 mt -108.24 141.99 22.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.808 0.337 . . . . 0.0 110.804 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -133.22 129.32 37.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.991 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 18.92 4.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.338 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.87 -20.95 48.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.518 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -97.12 116.15 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.731 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.638 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -61.76 155.62 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 -179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.518 HD13 HD12 ' B' ' 23' ' ' ILE . 55.7 mt -99.68 110.61 23.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.88 163.05 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.95 0.405 . . . . 0.0 111.503 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -82.87 147.01 28.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.686 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.53 -26.67 22.93 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.252 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.596 HH21 ' HB3' ' B' ' 58' ' ' ASP . 51.7 mtp180 -96.61 155.67 16.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.737 0.303 . . . . 0.0 110.695 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 65.0 p -93.25 -177.2 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.484 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 24.5 mt -77.62 -12.98 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.202 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -81.76 -25.23 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.247 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.596 ' HB3' HH21 ' B' ' 54' ' ' ARG . 15.0 m-20 -70.79 -16.72 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.331 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.1 2.0 12.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.161 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 56.17 89.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -122.43 121.89 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.094 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.11 -172.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.84 145.8 25.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 61.13 21.73 12.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -58.75 170.07 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.3 m -119.16 109.44 15.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.343 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.536 ' HB3' HD22 ' B' ' 43' ' ' LEU . 3.7 mm? -92.65 150.02 20.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.685 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -102.15 129.72 48.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 0.9 OUTLIER -99.6 103.77 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.436 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.506 HG21 ' HB ' ' A' 1374 ' ' THR . 9.3 p -117.13 148.92 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 tp . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.37 -179.378 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.679 0.276 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.3 t -77.06 -32.73 57.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.346 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' 1348 ' ' GLU . 2.2 mm? -59.53 -45.28 92.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.079 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.62 85.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.7 t -59.94 -39.76 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.258 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.82 -24.15 48.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' 1344 ' ' LEU . 0.6 OUTLIER -81.15 -26.53 36.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.478 HD11 HD21 ' A' 1363 ' ' LEU . 56.8 mt -85.34 -27.47 25.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 83.5 p -63.18 -11.81 23.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -109.04 28.83 10.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.636 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 91.0 mtp -118.42 -37.56 3.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.606 0.241 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 158.47 13.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.892 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.71 171.6 13.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 74.5 p -85.8 -179.13 6.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.459 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.9 -39.12 66.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.25 -55.3 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -56.27 -30.36 62.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.489 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -73.38 -42.14 62.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.883 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -59.69 -48.17 82.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -65.67 -47.59 75.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.686 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.6 -49.69 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.381 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.744 ' HA ' ' HB2' ' A' 1373 ' ' ALA . 11.6 mt -63.95 -59.79 4.06 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.516 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -45.5 -64.0 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.536 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -50.8 -53.48 31.6 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 124.106 0.879 . . . . 0.0 111.862 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' 1367 ' ' ASN . 4.4 p -61.18 -7.58 2.85 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.601 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' 1366 ' ' CYS . 13.1 m120 93.2 52.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.228 0.955 . . . . 0.0 109.572 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.5 m95 37.58 77.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.682 -1.145 . . . . 0.0 112.038 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 43.2 m-20 -152.49 136.05 16.05 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.244 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . 0.439 HD13 HD12 ' B' ' 8' ' ' LEU . 15.4 mt -60.46 -78.1 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.17 -40.43 15.86 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.554 ' HA ' ' OD1' ' A' 1375 ' ' ASN . . . -61.57 -50.72 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.095 0.474 . . . . 0.0 110.777 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . 0.744 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -63.27 -30.68 71.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.458 ' O ' ' HG ' ' A' 1378 ' ' LEU . 36.9 m -71.64 -55.65 7.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.72 ' HA ' HD12 ' A' 1378 ' ' LEU . 0.4 OUTLIER -56.23 -30.45 62.38 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' 1380 ' ' SER . 88.0 t80 -68.1 -57.5 5.98 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.808 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 60.7 mt -51.51 -34.61 36.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' 1375 ' ' ASN . 88.0 mt -57.01 -55.93 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -94.78 -68.28 0.81 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.483 ' HB3' ' O ' ' A' 1376 ' ' PHE . 25.0 p 41.37 -158.74 0.01 OUTLIER 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.851 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.015 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.76 0.314 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 20.0 pt20 -125.83 146.99 49.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.557 ' HB ' HD23 ' B' ' 67' ' ' LEU . 47.6 pt -128.38 159.97 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.985 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -123.46 105.87 10.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.471 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 11.0 t -71.84 148.4 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -135.86 107.11 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.311 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.418 HG22 ' HB3' ' B' ' 69' ' ' LEU . 66.8 p -86.38 147.44 26.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.439 HD12 HD13 ' A' 1370 ' ' LEU . 3.5 mm? -62.45 -21.93 65.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.721 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.5 p -67.9 -28.75 67.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.0 35.4 1.83 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -120.54 129.64 53.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.769 0.318 . . . . 0.0 110.744 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.7 m -105.32 127.79 53.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.471 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 28.4 mt -114.07 145.75 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -121.56 123.98 43.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.907 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.03 165.73 25.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.156 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 37.2 tt0 -123.72 105.82 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.0 m -109.49 -170.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.441 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -115.57 169.87 8.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.727 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.2 t -75.23 -32.75 61.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -95.92 10.47 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.72 143.14 53.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -92.65 155.94 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.3 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.505 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.5 mm -62.33 -45.73 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.188 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -52.21 -36.17 51.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.757 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.556 HD21 ' HD2' ' B' ' 29' ' ' LYS . 5.9 t30 -70.32 -35.54 73.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.829 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.89 -55.07 23.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.686 ' HG3' ' HG3' ' B' ' 41' ' ' GLN . 3.8 mptp? -55.07 -38.38 67.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.434 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -62.43 -49.91 73.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.556 ' HD2' HD21 ' B' ' 25' ' ' ASN . 61.8 mtpt -56.5 -46.24 80.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.48 -40.58 86.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.335 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.435 HE21 ' HB3' ' B' ' 31' ' ' GLN . 5.9 tt0 -62.45 -39.04 92.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -88.53 -6.64 57.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.581 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -106.45 -68.59 0.87 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.648 0.261 . . . . 0.0 111.585 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -78.31 -67.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.002 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.3 1.24 0.57 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.307 -0.949 . . . . 0.0 113.38 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.503 ' N ' HD12 ' B' ' 36' ' ' ILE . 4.0 mp -81.67 125.59 77.83 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 117.145 0.473 . . . . 0.0 110.583 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.43 ' HG2' ' NE2' ' B' ' 40' ' ' GLN . 32.2 Cg_exo -58.86 143.49 99.29 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.462 2.108 . . . . 0.0 112.554 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.551 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 11.6 Cg_exo -71.24 -43.76 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.018 2.478 . . . . 0.0 112.644 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.28 8.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.525 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.567 ' O ' ' HB3' ' B' ' 71' ' ' LEU . 37.2 mt-30 -131.6 -20.1 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.273 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.686 ' HG3' ' HG3' ' B' ' 27' ' ' LYS . 29.0 pt20 -105.04 137.83 42.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 111.84 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.512 ' NE ' HD22 ' B' ' 71' ' ' LEU . 99.7 mtt180 -127.95 148.77 50.52 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.732 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.683 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 1.9 tp -97.72 132.59 43.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.044 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.568 HD11 HG11 ' B' ' 70' ' ' VAL . 71.3 mt -126.92 139.89 50.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 111.334 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -142.77 131.14 22.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.465 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.32 14.37 7.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.263 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.57 18.5 54.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.661 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -126.31 138.31 53.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.835 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -75.02 128.01 34.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.792 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' B' ' 43' ' ' LEU . 37.6 mt -86.63 105.58 16.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.746 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.65 153.74 27.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.505 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.6 m-20 -84.93 4.22 34.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.8 -4.93 58.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -128.89 177.37 7.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 46.4 p -103.82 -177.51 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.193 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.412 ' HB3' HD12 ' B' ' 61' ' ' ILE . 62.5 mt -69.03 -36.26 77.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.3 m -66.81 -23.78 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -64.36 -27.89 69.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.215 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -110.76 2.62 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.056 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 59.66 96.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.278 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' B' ' 56' ' ' LEU . 74.7 mt -124.08 129.07 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -77.89 -177.83 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.981 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -89.66 146.32 24.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.756 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 60.45 22.18 11.82 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.861 0.363 . . . . 0.0 110.575 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.4 m -65.97 170.38 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.983 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.1 m -112.36 104.99 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.392 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.557 HD23 ' HB ' ' B' ' 3' ' ' ILE . 4.4 mm? -89.74 154.13 20.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.51 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.4 m-70 -115.11 141.6 47.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.996 0.426 . . . . 0.0 111.711 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' B' ' 41' ' ' GLN . 8.6 tp -104.31 104.78 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.693 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.585 HG22 ' H ' ' B' ' 71' ' ' LEU . 1.3 p -111.95 172.3 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.777 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.585 ' H ' HG22 ' B' ' 70' ' ' VAL . 11.8 tp . . . . . 0 N--CA 1.466 0.337 0 O-C-N 124.114 0.884 . . . . 0.0 111.03 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' 1346 ' ' VAL . 60.9 mttp . . . . . 0 N--CA 1.46 0.068 0 CA-C-O 120.614 0.245 . . . . 0.0 111.399 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 49.3 m -79.4 -31.68 42.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.155 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.5 -44.88 85.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.3 94.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 110.755 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' 1342 ' ' LYS . 64.0 t -61.86 -36.88 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.8 -30.44 45.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -74.85 -24.59 58.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.132 0.492 . . . . 0.0 110.096 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.423 HD12 HD11 ' A' 1363 ' ' LEU . 81.0 mt -87.4 -14.87 39.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 70.1 m -69.8 -33.5 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.677 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -78.09 -10.27 86.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.472 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 94.2 mmm -70.92 -62.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 168.85 14.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.65 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . 0.41 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -137.76 159.82 40.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.85 0.357 . . . . 0.0 111.094 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.0 p -72.83 178.57 4.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.678 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -73.61 -30.04 62.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.422 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.21 -55.96 20.65 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.836 0.35 . . . . 0.0 110.773 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . 0.456 ' HA ' ' ND2' ' A' 1361 ' ' ASN . 17.9 mm-40 -56.62 -37.3 70.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -72.31 -28.91 63.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.611 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -66.76 -53.46 32.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . 0.456 ' ND2' ' HA ' ' A' 1358 ' ' GLU . 4.3 p30 -66.28 -43.63 85.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 0.0 110.481 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.05 65.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.314 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' 1369 ' ' ASP . 11.7 mt -61.63 -60.0 4.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.574 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -46.01 -64.9 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.868 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -49.31 -56.13 10.51 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 124.019 0.825 . . . . 0.0 111.867 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.463 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 76.5 m -54.27 -15.05 1.36 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.496 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' 1366 ' ' CYS . 14.1 t-20 97.27 49.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.387 1.054 . . . . 0.0 109.179 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.422 ' N ' ' O ' ' A' 1363 ' ' LEU . 95.4 m95 41.62 78.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.222 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.514 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 43.5 m-20 -145.18 137.23 25.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . 0.447 HD12 HD13 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -60.53 -73.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.966 -179.126 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.2 OUTLIER -49.45 -43.54 44.99 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.514 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -60.97 -40.53 93.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.828 0.347 . . . . 0.0 111.237 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -63.37 -55.09 27.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.713 HG21 HG21 ' B' ' 70' ' ' VAL . 26.9 m -54.83 -43.35 72.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.036 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.483 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.8 t30 -63.48 -29.99 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.043 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.478 ' HA ' ' HB2' ' A' 1380 ' ' SER . 38.5 t80 -68.32 -37.4 80.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.19 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' 1358 ' ' GLU . 4.6 mm? -74.79 -24.8 58.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' 1375 ' ' ASN . 38.3 mt -80.64 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.448 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -88.78 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.416 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.478 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 57.9 m -57.47 174.91 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.962 0.411 . . . . 0.0 111.315 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.16 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.528 ' HG2' ' HG3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.66 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -107.26 168.38 9.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -143.36 141.69 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.924 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -108.96 93.16 4.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.476 HG22 ' HB2' ' B' ' 67' ' ' LEU . 70.8 t -90.86 104.78 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -89.06 143.47 26.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.427 HG22 HD23 ' B' ' 69' ' ' LEU . 70.7 p -103.76 159.34 15.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.552 HD11 HG13 ' B' ' 70' ' ' VAL . 92.0 mt -69.25 -15.45 63.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -77.65 -12.87 60.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.227 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.53 48.88 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.414 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -132.01 151.67 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.772 0.32 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -115.09 96.98 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.523 HD13 HG23 ' B' ' 30' ' ' ILE . 56.9 mt -85.28 110.15 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 74.5 m -99.6 121.79 41.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.29 172.86 11.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -127.86 112.47 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.39 -169.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.74 169.4 13.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.816 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 55.7 m -69.19 -24.29 64.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.9 m -97.54 10.08 40.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.55 152.8 31.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.9 p -107.75 163.43 13.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.43 HG22 ' HD3' ' B' ' 27' ' ' LYS . 44.9 mm -61.33 -47.34 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -50.47 -44.11 55.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.31 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -59.39 -45.97 89.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.32 -40.84 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.503 ' HE3' ' HB2' ' B' ' 43' ' ' LEU . 5.8 mmmm -61.51 -45.83 92.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.602 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 68.4 m -60.75 -42.61 97.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -58.81 -47.22 85.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.86 0.362 . . . . 0.0 110.524 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.523 HG23 HD13 ' B' ' 13' ' ' ILE . 59.5 mt -65.16 -30.96 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.562 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -73.93 -28.36 61.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.114 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -87.32 -22.25 25.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.056 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -87.89 -67.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.18 -69.96 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.635 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.14 3.57 0.88 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.569 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.421 HG22 ' HB3' ' B' ' 41' ' ' GLN . 32.0 mm -60.83 113.24 7.2 Favored Pre-proline 0 CA--C 1.533 0.295 0 O-C-N 122.982 -0.128 . . . . 0.0 110.8 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.51 155.14 5.46 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.558 2.172 . . . . 0.0 112.739 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.681 ' HA ' HE21 ' B' ' 41' ' ' GLN . 61.3 Cg_endo -72.69 -41.97 1.36 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.694 2.262 . . . . 0.0 112.631 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -72.37 9.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.199 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.546 ' HG3' ' HG ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER -126.12 -45.03 1.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.543 -179.517 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.745 ' HB2' HD11 ' B' ' 69' ' ' LEU . 29.8 pt20 -66.33 134.68 53.09 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.459 HH12 ' HB2' ' A' 1375 ' ' ASN . 78.1 mtp180 -129.1 121.96 28.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.361 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.503 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 6.3 tp -89.19 120.77 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.959 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.8 mt -127.35 143.49 40.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.419 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -149.87 128.33 12.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.759 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.22 22.65 12.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.85 -7.4 80.2 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.651 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -91.16 139.82 30.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 111.058 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.24 107.43 15.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' B' ' 43' ' ' LEU . 85.8 mt -67.0 104.92 1.49 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -78.44 138.67 38.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 7.2 m-20 -75.27 113.61 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.63 -33.22 0.9 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -103.99 169.1 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -83.02 175.35 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.457 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.416 ' HB3' HD12 ' B' ' 61' ' ' ILE . 40.8 mt -71.6 -31.54 67.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.034 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -68.25 -25.69 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.44 -33.75 74.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -105.58 8.63 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.01 91.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.248 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' B' ' 56' ' ' LEU . 64.7 mt -127.31 119.58 52.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -75.27 -173.81 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.528 ' HG3' ' HG2' ' B' ' 1' ' ' MET . 4.8 mptp? -87.22 142.03 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 58.28 24.34 11.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -59.95 169.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.1 m -109.46 106.88 16.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.289 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.476 ' HB2' HG22 ' B' ' 5' ' ' VAL . 7.5 mp -101.39 168.35 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.25 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -127.94 153.22 46.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 111.079 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.745 HD11 ' HB2' ' B' ' 41' ' ' GLN . 12.8 tp -122.86 114.3 20.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.188 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.713 HG21 HG21 ' A' 1374 ' ' THR . 44.7 t -117.65 155.4 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 111.561 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.546 ' HG ' ' HG3' ' B' ' 40' ' ' GLN . 0.9 OUTLIER . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.862 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.75 0.309 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 48.9 m -81.27 -29.92 34.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.012 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 31.5 mt -58.02 -38.89 77.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.756 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.08 90.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 38.8 t -67.96 -32.17 55.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.822 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -74.32 -37.55 63.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.34 -48.12 65.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.401 HD12 ' HB1' ' A' 1359 ' ' ALA . 90.9 mt -62.09 -38.64 89.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 46.9 t -61.18 -22.54 64.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -98.29 31.35 8.12 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.283 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 85.9 mtp -122.46 -68.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 0.0 110.97 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -167.15 11.74 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.762 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.47 171.09 14.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.796 0.332 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.3 p -88.13 177.29 6.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -73.11 -27.0 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.95 -60.5 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . 0.406 ' HB3' HD11 ' A' 1377 ' ' LEU . 47.3 mt-10 -55.89 -33.65 64.81 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.694 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . 0.401 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -67.94 -43.72 78.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -60.16 -53.35 58.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.105 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -59.31 -43.85 92.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.15 77.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.366 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' 1368 ' ' TRP . 5.5 mt -61.37 -59.52 5.15 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 111.077 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.59 -64.25 0.77 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.889 -178.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 99.8 mttt -51.12 -52.66 41.67 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.882 0.739 . . . . 0.0 111.64 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' 1367 ' ' ASN . 95.8 m -60.27 -9.07 2.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.694 0.283 . . . . 0.0 110.325 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' 1366 ' ' CYS . 18.1 t-20 92.53 53.63 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.142 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.487 ' N ' ' O ' ' A' 1363 ' ' LEU . 72.0 m95 39.65 77.44 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.647 -178.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.489 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 37.1 m-20 -146.09 126.49 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.103 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . 0.482 ' HG ' HD13 ' B' ' 8' ' ' LEU . 31.0 tp -61.48 -65.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . 0.401 ' OE2' ' HB3' ' A' 1369 ' ' ASP . 0.3 OUTLIER -50.96 -37.69 46.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.667 0.27 . . . . 0.0 111.072 -179.425 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -69.64 -35.67 75.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.424 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -62.36 -49.84 73.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.167 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.613 HG21 HG21 ' B' ' 70' ' ' VAL . 31.8 m -58.84 -44.77 91.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.443 ' HA ' HD12 ' A' 1378 ' ' LEU . 1.6 t30 -60.95 -26.07 67.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.072 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' 1373 ' ' ALA . 45.3 t80 -70.52 -49.62 46.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.116 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' 1358 ' ' GLU . 4.0 mm? -67.68 -19.99 65.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.476 HD11 HD11 ' B' ' 44' ' ' ILE . 76.5 mt -82.06 -61.14 1.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.13 -63.82 1.17 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.389 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 44.3 m -52.35 161.57 0.64 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.081 -179.865 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -128.85 157.01 42.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 111.032 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -131.69 137.87 54.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -102.77 94.45 5.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.538 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 70.9 t -75.07 147.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.955 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -135.48 109.98 8.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.105 0.479 . . . . 0.0 111.385 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.475 HG22 HD23 ' B' ' 69' ' ' LEU . 66.5 p -82.44 155.49 24.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.293 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.482 HD13 ' HG ' ' A' 1370 ' ' LEU . 90.2 mt -77.6 6.9 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -104.12 6.92 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.8 54.65 4.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -143.87 125.15 14.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 111.074 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -96.95 136.69 37.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.753 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 36.1 mt -128.58 98.97 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.147 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 34.1 m -87.57 112.73 22.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.401 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.527 HD11 ' HE3' ' B' ' 29' ' ' LYS . 42.4 tp -112.31 152.18 28.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.229 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -113.28 110.6 20.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.39 -170.84 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -123.28 -178.64 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -75.95 -25.76 56.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -90.87 11.24 23.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.074 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.16 145.45 28.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.708 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.436 ' O ' HG23 ' B' ' 26' ' ' VAL . 71.3 p -108.81 158.07 17.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.88 0.371 . . . . 0.0 111.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.71 -44.03 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.374 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -56.26 -32.66 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.049 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -78.85 -34.22 45.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 22' ' ' THR . 91.6 t -58.8 -53.74 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.337 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.443 ' HG3' ' HG3' ' B' ' 41' ' ' GLN . 5.5 mptp? -53.31 -38.58 63.31 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.2 m -64.09 -47.66 79.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.405 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.527 ' HE3' HD11 ' B' ' 15' ' ' LEU . 29.7 mtpp -60.22 -36.71 78.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.543 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.7 mt -72.56 -29.03 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.68 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -72.44 -36.78 68.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.747 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.52 -9.36 54.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -98.65 -36.93 9.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.068 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -116.28 -76.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.016 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.7 0.51 0.27 Allowed Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.163 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.493 ' N ' HD12 ' B' ' 36' ' ' ILE . 3.1 mp -66.45 133.63 94.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.833 0.317 . . . . 0.0 110.415 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.22 131.07 43.6 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.282 1.988 . . . . 0.0 112.046 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.536 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 70.1 Cg_endo -74.84 -42.59 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.572 2.181 . . . . 0.0 112.894 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -71.42 4.61 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.578 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.409 ' HG2' ' HB3' ' B' ' 71' ' ' LEU . 52.5 tt0 -124.79 -38.31 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.67 ' HB2' HD11 ' B' ' 69' ' ' LEU . 28.9 pt20 -75.4 143.79 42.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.408 ' O ' HD12 ' B' ' 69' ' ' LEU . 81.7 mtt180 -140.93 141.87 34.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.581 ' HB3' HD12 ' B' ' 50' ' ' LEU . 6.2 mt -86.18 144.44 27.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.477 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.552 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 55.1 mt -135.96 130.84 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.783 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.441 ' HB3' HD21 ' B' ' 50' ' ' LEU . 70.2 t80 -142.32 130.52 22.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.39 19.44 7.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.16 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.0 25.76 39.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.57 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -128.27 144.83 51.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.22 108.83 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.265 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' B' ' 43' ' ' LEU . 23.9 mt -64.86 99.51 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.119 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.32 146.28 29.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.46 129.76 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.782 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.43 -22.45 11.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.57 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -91.69 160.41 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 30.4 p -83.95 165.0 19.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.12 -32.89 74.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.6 p -66.79 -21.62 66.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.19 -6.93 26.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.482 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.9 m-85 -126.88 11.38 7.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.12 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.5 m120 58.51 25.66 13.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.232 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.482 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.5 mt -57.2 126.08 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -83.23 171.78 13.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -80.89 141.47 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 58.06 19.9 6.41 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.5 t -71.17 157.09 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.9 m -95.22 121.94 37.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.054 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.78 145.15 39.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.658 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.552 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 19.4 m-70 -95.37 136.02 36.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' B' ' 41' ' ' GLN . 43.0 tp -117.7 118.38 31.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.726 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.613 HG21 HG21 ' A' 1374 ' ' THR . 43.8 t -129.62 148.86 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.409 ' HB3' ' HG2' ' B' ' 40' ' ' GLN . 59.7 mt . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.175 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 56.7 mtmt . . . . . 0 CA--C 1.529 0.162 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 60.2 m -74.24 -34.83 63.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 0.0 110.827 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.68 -30.85 71.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.41 71.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 47.5 t -61.82 -35.71 69.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.046 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -74.73 -37.59 62.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -24.84 61.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 110.337 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.488 HD12 HD11 ' A' 1363 ' ' LEU . 81.1 mt -87.23 -30.12 21.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.272 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' 1354 ' ' PHE . 47.5 t -66.92 -11.25 55.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.067 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.53 15.22 56.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.705 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . 0.47 ' HA ' ' NE2' ' B' ' 68' ' ' HIS . 70.4 mtp -102.02 -43.13 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.57 0.224 . . . . 0.0 111.189 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . 0.409 ' H ' ' H ' ' A' 1354 ' ' PHE . . . 161.9 6.95 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.849 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . 0.444 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -133.6 151.58 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.7 p -62.98 174.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.491 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.74 -27.71 63.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.45 -56.2 15.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.654 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . 0.452 ' HB3' HD11 ' A' 1377 ' ' LEU . 10.6 mm-40 -54.09 -37.79 64.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -70.88 -36.55 72.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -62.68 -56.74 14.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -58.85 -48.55 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.32 64.0 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.539 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.488 HD11 HD12 ' A' 1349 ' ' LEU . 11.1 mt -57.87 -59.23 5.56 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.415 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -46.04 -64.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.041 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -50.71 -52.74 37.43 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 124.173 0.92 . . . . 0.0 111.765 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.441 ' O ' ' CB ' ' A' 1367 ' ' ASN . 94.1 m -56.09 -14.09 2.43 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' 1366 ' ' CYS . 0.2 OUTLIER 94.48 51.45 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 108.832 179.276 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . . . . . . . . . 82.0 m95 40.05 80.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.317 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.617 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 16.3 t70 -148.13 138.42 22.75 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.706 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.9 -75.76 0.07 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -48.8 -38.71 22.81 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -63.33 -42.69 98.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.814 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.15 73.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.718 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.467 ' O ' ' HG ' ' A' 1378 ' ' LEU . 76.3 m -59.54 -51.26 70.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.981 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.553 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.9 t30 -55.95 -28.35 56.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.16 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 20.9 t80 -66.78 -59.76 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.124 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' 1358 ' ' GLU . 4.2 mm? -53.49 -19.59 3.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.628 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' 1375 ' ' ASN . 17.1 mt -90.82 -46.65 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.658 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -93.4 -53.03 4.24 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 19.3 p -43.14 -41.14 3.56 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.539 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.104 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptm . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.777 0.323 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -131.75 159.96 36.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.549 ' HB ' HD13 ' B' ' 67' ' ' LEU . 38.8 pt -137.32 154.32 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.988 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -111.55 95.2 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 73.4 t -68.66 131.93 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -121.83 101.91 7.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.491 HG22 ' HB3' ' B' ' 69' ' ' LEU . 72.3 p -84.35 152.71 23.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.402 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.66 -17.89 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -75.51 -4.21 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.735 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.82 49.37 4.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.437 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 39.1 ttmt -128.46 133.37 48.5 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 111.102 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.8 m -107.83 98.16 7.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.502 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 13.7 mt -96.13 113.18 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.602 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 38.4 m -90.24 123.2 33.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.583 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.5 tp -121.6 145.68 47.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.357 . . . . 0.0 111.355 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -113.76 100.48 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.885 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.7 m -115.45 -174.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.707 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -110.76 175.05 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.4 p -76.2 -32.47 59.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 44.3 t -79.48 -3.47 46.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.01 140.16 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 77.4 p -96.19 170.54 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.38 -48.73 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -51.74 -42.34 62.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.373 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.03 -48.29 82.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -52.81 -45.62 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -56.12 -41.11 74.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.37 . . . . 0.0 110.717 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.1 m -63.74 -50.6 68.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.094 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -53.68 -41.58 67.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -73.52 -28.69 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.958 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -65.27 -42.4 93.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -86.51 -14.69 42.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.126 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.67 -53.29 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -103.65 -65.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.15 6.1 0.68 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.766 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.493 HG22 ' HB3' ' B' ' 41' ' ' GLN . 42.0 mm -64.14 125.79 88.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.596 0.198 . . . . 0.0 110.77 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.504 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 13.2 Cg_endo -56.98 149.07 64.23 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.38 2.054 . . . . 0.0 112.209 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.608 ' HA ' HE21 ' B' ' 41' ' ' GLN . 90.2 Cg_endo -77.98 -42.5 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.679 2.253 . . . . 0.0 112.983 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -70.58 4.01 2.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.504 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 78.2 mm-40 -121.15 -54.58 2.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.62 ' HB2' HD21 ' B' ' 69' ' ' LEU . 29.3 pt20 -53.18 135.18 38.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.676 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -138.39 120.05 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.714 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.529 ' HB3' HD12 ' B' ' 50' ' ' LEU . 3.5 mt -80.05 135.29 36.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.103 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.494 HG12 ' NE2' ' B' ' 49' ' ' GLN . 32.9 mt -135.95 141.43 41.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 120.921 0.391 . . . . 0.0 111.129 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -156.13 139.94 16.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.756 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.15 14.03 7.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.266 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.58 3.91 77.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.921 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -121.24 141.32 51.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.494 ' NE2' HG12 ' B' ' 44' ' ' ILE . 7.2 tp-100 -69.98 131.41 44.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.995 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' B' ' 43' ' ' LEU . 65.7 mt -83.15 99.39 9.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.465 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.93 159.44 7.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.046 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -87.39 145.95 26.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.038 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.22 -42.57 1.86 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -74.16 162.96 28.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 46.1 p -91.97 -177.9 4.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.543 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.461 ' HA ' HD12 ' B' ' 61' ' ' ILE . 54.5 mt -76.21 -33.71 59.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.139 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -68.36 -21.44 64.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.002 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -68.31 -14.95 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.401 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.4 m-85 -120.59 16.99 12.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.328 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.4 m120 58.71 21.6 9.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.367 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' B' ' 56' ' ' LEU . 71.7 mt -59.18 106.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.0 110.973 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -69.84 -173.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.0 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -84.02 149.93 25.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 43.78 29.24 0.28 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.498 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.1 m -68.74 159.62 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.451 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 35.3 m -95.06 107.98 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 111.246 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.549 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.4 mp -101.96 165.25 11.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.498 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.47 ' NE2' ' HA ' ' A' 1352 ' ' MET . 48.5 m-70 -122.32 157.1 32.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.992 0.425 . . . . 0.0 111.209 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' B' ' 41' ' ' GLN . 2.4 tm? -139.05 103.85 4.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.518 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.34 144.44 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.648 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 62.3 mttp . . . . . 0 C--O 1.231 0.127 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 38.9 t -83.46 -29.19 28.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.427 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.93 -46.33 89.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -59.39 -45.61 91.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 42.0 t -62.13 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.279 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.07 -27.57 65.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -81.15 -27.61 35.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.137 0.494 . . . . 0.0 110.029 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.477 HD12 HD11 ' A' 1363 ' ' LEU . 74.6 mt -83.48 -20.75 33.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.011 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 96.3 p -70.34 -26.97 64.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -83.93 -2.01 89.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.306 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.0 mmm -79.32 -61.46 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 171.32 13.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.701 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.18 161.89 35.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.96 0.41 . . . . 0.0 111.215 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.3 p -69.62 175.77 3.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.642 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.69 -26.11 60.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.202 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -59.33 3.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -54.77 -35.99 64.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.3 76.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.0 -53.28 59.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.808 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -62.41 -46.24 89.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.759 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.0 75.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.527 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.477 HD11 HD12 ' A' 1349 ' ' LEU . 12.1 mt -63.62 -59.25 4.86 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.134 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -45.7 -64.25 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.649 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' A' 1365 ' ' LYS . 4.1 mmmp? -50.54 -53.94 26.33 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.913 0.758 . . . . 0.0 111.794 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' 1367 ' ' ASN . 1.8 p -58.0 -10.22 1.72 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.459 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' 1366 ' ' CYS . 11.8 m120 93.83 49.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 O-C-N 124.284 0.99 . . . . 0.0 109.334 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' 1363 ' ' LEU . 79.2 m95 39.28 72.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.434 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.496 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 41.7 m-20 -140.48 142.86 35.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.691 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -77.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.87 -40.46 21.65 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.736 -178.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -61.93 -41.97 98.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.048 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . 0.453 ' HB2' HD23 ' A' 1363 ' ' LEU . . . -61.36 -53.27 58.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.797 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.603 HG21 HG21 ' B' ' 70' ' ' VAL . 40.3 m -54.14 -43.18 70.3 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.598 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.8 t30 -64.2 -28.81 70.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.01 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 28.0 t80 -67.65 -39.36 84.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.937 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.34 -23.54 61.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' 1375 ' ' ASN . 26.1 mt -82.12 -63.8 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.181 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.3 -66.82 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.409 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . . . . . . . . . 74.1 m -57.23 171.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.099 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -101.35 144.35 30.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 pt -131.04 151.58 36.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -122.82 101.36 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.154 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.543 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.4 t -87.53 140.02 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.483 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -127.8 133.02 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.413 . . . . 0.0 111.732 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.422 HG22 HD23 ' B' ' 69' ' ' LEU . 56.6 p -101.37 146.89 27.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.21 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.435 ' H ' HD22 ' B' ' 8' ' ' LEU . 2.6 mm? -58.52 -28.15 65.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.693 0.282 . . . . 0.0 111.289 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.9 m -63.56 -27.4 69.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.371 . . . . 0.0 110.716 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.36 59.42 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.303 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -141.58 141.17 33.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.036 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.7 m -104.99 144.56 31.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.543 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 28.9 mt -136.55 104.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.231 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -92.27 119.94 32.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.658 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 tp -127.83 146.76 50.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 111.573 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -101.56 95.66 6.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.239 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.3 m -109.17 -170.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.485 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -132.75 163.28 29.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.668 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.2 t -76.04 -18.05 59.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.114 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.0 t -93.91 3.14 55.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -86.68 166.69 15.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.609 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.412 ' O ' HG23 ' B' ' 26' ' ' VAL . 70.2 p -107.72 171.53 7.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.925 0.393 . . . . 0.0 111.345 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.445 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 44.2 mm -69.79 -53.97 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.269 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 15.8 t70 -49.25 -32.81 11.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.58 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -70.48 -41.35 72.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 22' ' ' THR . 90.5 t -61.88 -40.8 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.525 ' HE3' ' HG ' ' B' ' 43' ' ' LEU . 1.8 mmmm -58.39 -45.16 88.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.681 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -63.04 -46.88 85.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.663 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -55.28 -38.49 68.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.835 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.55 -31.52 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.82 -37.81 85.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.29 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -82.16 -18.21 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.948 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -85.37 -66.91 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.58 -71.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.009 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.08 26.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.798 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.0 mm -89.76 130.88 41.4 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.493 0.147 . . . . 0.0 110.627 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.5 Cg_endo -63.66 135.97 51.58 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.394 2.062 . . . . 0.0 112.39 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.523 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 7.4 Cg_exo -72.54 -33.15 8.93 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.785 2.324 . . . . 0.0 112.429 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.03 -6.16 21.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.249 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -117.34 -60.87 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.147 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.0 pt20 -50.74 143.26 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.746 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -138.68 125.0 20.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.337 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.525 ' HG ' ' HE3' ' B' ' 27' ' ' LYS . 22.7 mt -79.4 131.51 36.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.169 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.484 HD11 HD11 ' A' 1378 ' ' LEU . 54.6 mt -133.28 144.89 34.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.998 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -157.72 140.79 15.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.89 19.31 10.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.331 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.04 1.61 89.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.556 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -119.06 134.54 55.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.734 0.302 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.421 ' HB2' HD22 ' A' 1378 ' ' LEU . 35.2 tt0 -72.5 147.09 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.659 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -98.65 122.07 41.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.077 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.69 151.22 34.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.454 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 17.4 m-20 -84.65 15.93 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.358 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.92 1.86 21.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.693 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -132.58 170.88 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.5 p -89.94 -175.33 4.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.606 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.3 mt -78.07 -31.87 50.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.257 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 61.3 m -70.52 -24.68 62.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.611 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.9 -19.45 65.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.23 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -115.03 9.1 15.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.012 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 57.95 91.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -129.54 113.65 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.822 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -77.13 -179.53 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -79.67 152.47 29.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 58.65 19.69 7.01 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 79.8 p -63.82 159.39 19.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -107.08 105.16 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -91.36 156.27 17.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.666 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -112.82 145.81 39.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' B' ' 41' ' ' GLN . 10.1 tp -119.87 108.95 14.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.425 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.603 HG21 HG21 ' A' 1374 ' ' THR . 19.3 t -117.32 134.67 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.902 0.382 . . . . 0.0 111.468 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.427 ' N ' HD22 ' B' ' 71' ' ' LEU . 3.7 mm? . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 53.5 mtpt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.974 0.416 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 38.8 t -83.49 -35.46 24.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.053 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 48.1 mt -57.4 -45.57 84.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.212 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.02 78.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.946 0.403 . . . . 0.0 110.939 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.2 t -57.32 -43.82 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.294 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -64.25 -48.9 73.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -26.2 66.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.851 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.444 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 76.8 mt -86.59 -29.68 22.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . . . . . . . . . 48.0 t -67.15 -10.22 47.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -107.68 36.03 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.838 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 42.8 ttm -124.85 -37.39 2.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.31 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 159.85 14.38 0.04 OUTLIER Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.817 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . 0.444 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -144.51 164.8 29.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 111.088 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 69.9 p -82.33 179.83 7.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.677 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -70.41 -29.24 65.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.54 -57.49 9.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -54.46 -42.13 70.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.45 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.96 -30.69 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -64.24 -51.79 61.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.738 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -63.31 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.4 -52.19 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.237 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' 1368 ' ' TRP . 14.7 mt -59.79 -60.17 4.26 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.498 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -45.5 -64.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.192 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . 0.41 ' C ' ' H ' ' A' 1367 ' ' ASN . 67.0 mttm -51.95 -52.35 50.82 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.9 0.75 . . . . 0.0 111.533 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.518 ' O ' ' HB2' ' A' 1367 ' ' ASN . 94.5 m -61.3 -6.39 2.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.593 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' 1366 ' ' CYS . 48.7 m-80 90.77 53.98 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.259 0.975 . . . . 0.0 109.342 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' 1363 ' ' LEU . 80.3 m95 40.98 37.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.935 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.46 ' O ' HD23 ' A' 1363 ' ' LEU . 28.3 m-20 -100.63 128.96 46.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.273 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.71 -71.58 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . 0.404 ' OE1' ' HB3' ' A' 1369 ' ' ASP . 0.0 OUTLIER -47.85 -38.45 16.11 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.61 0.243 . . . . 0.0 111.329 -179.02 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.438 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -65.7 -42.18 91.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.045 0.45 . . . . 0.0 110.308 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -60.36 -46.65 89.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.347 179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.529 HG21 HG21 ' B' ' 70' ' ' VAL . 38.0 m -58.12 -49.02 78.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.476 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.2 t30 -58.99 -26.58 64.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.074 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.485 ' HA ' ' HB2' ' A' 1380 ' ' SER . 32.1 t80 -70.22 -42.52 72.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.966 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.12 -18.74 62.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.146 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.591 HD22 ' HB2' ' B' ' 49' ' ' GLN . 47.8 mt -87.36 -62.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.816 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -93.42 -58.14 2.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.485 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 61.5 m -54.67 -11.66 0.62 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.876 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.048 179.695 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.505 ' HG3' ' HG3' ' B' ' 63' ' ' LYS . 27.2 ttt . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -122.1 163.38 19.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -137.49 145.97 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.75 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.95 96.7 6.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.375 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 69.7 t -74.55 128.56 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.614 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -105.12 95.08 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.624 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.588 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 45.4 p -75.29 143.39 42.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.683 0.278 . . . . 0.0 110.3 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.429 HD11 HG22 ' B' ' 70' ' ' VAL . 87.4 mt -67.71 -7.61 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.024 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.4 p -85.06 -4.11 59.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.54 45.27 5.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.336 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' B' ' 12' ' ' THR . 7.2 tmtm? -137.35 127.92 26.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.012 0.434 . . . . 0.0 110.969 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.452 ' N ' ' HD3' ' B' ' 11' ' ' LYS . 70.2 m -101.08 107.12 18.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.635 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 55.9 mt -94.87 119.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.476 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -99.0 112.92 24.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.373 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -118.94 142.63 47.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.756 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -96.27 105.89 18.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.946 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 22.8 m -123.73 -176.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.428 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.55 159.01 35.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.665 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -72.62 -2.04 18.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.4 m -95.76 -18.1 20.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.27 141.81 45.31 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 49.7 p -80.71 162.64 24.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.77 -51.0 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -57.38 -35.87 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.288 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -63.07 -39.13 93.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.0 -49.28 83.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.313 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.407 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 2.1 mptm? -52.18 -45.52 65.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.4 t -61.39 -47.67 84.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.427 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 7.2 mtpm? -57.67 -34.37 69.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.12 -40.07 74.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.627 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.2 -37.3 84.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.556 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -80.84 -17.26 51.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -84.88 -68.11 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.39 -74.97 0.51 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.4 31.6 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.108 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.456 ' N ' HD12 ' B' ' 36' ' ' ILE . 4.4 mp -104.27 113.31 65.31 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.811 0.305 . . . . 0.0 110.701 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.409 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 51.1 Cg_exo -53.83 150.26 30.43 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.371 2.047 . . . . 0.0 112.257 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.09 -43.16 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.721 2.281 . . . . 0.0 112.985 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.93 8.38 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.98 0.419 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.691 ' O ' ' HB3' ' B' ' 71' ' ' LEU . 14.8 mm100 -123.18 -10.64 8.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.999 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.588 ' HB2' HD11 ' B' ' 69' ' ' LEU . 28.1 pt20 -126.87 138.39 53.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.185 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -127.46 131.87 50.11 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.381 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.407 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 33.5 mt -81.43 141.31 34.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.079 0.466 . . . . 0.0 112.033 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.563 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 78.7 mt -132.97 137.33 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.09 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.95 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.509 ' HB2' HD22 ' B' ' 67' ' ' LEU . 72.2 t80 -147.56 129.61 15.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.81 23.26 13.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.208 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.41 16.6 77.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.56 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -122.63 127.76 49.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.591 ' HB2' HD22 ' A' 1378 ' ' LEU . 6.9 tp-100 -72.11 125.45 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.789 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.81 104.64 5.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.538 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.73 137.24 55.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.62 123.56 22.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.993 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.83 -42.03 1.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.79 178.94 8.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 110.765 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 55.5 p -101.54 -176.27 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 mt -80.67 -11.86 59.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.05 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -81.14 -23.56 38.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.452 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.2 -6.46 34.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.71 0.29 . . . . 0.0 111.41 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.427 ' HB2' HG13 ' B' ' 61' ' ' ILE . 87.5 m-85 -128.02 13.8 6.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.5 m120 57.61 19.98 5.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.451 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.427 HG13 ' HB2' ' B' ' 59' ' ' TYR . 72.5 mt -59.69 104.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.847 0.356 . . . . 0.0 110.598 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -84.18 -164.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.273 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.505 ' HG3' ' HG3' ' B' ' 1' ' ' MET . 1.5 mptm? -82.07 149.98 27.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 58.82 17.66 5.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.338 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -63.78 134.55 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 93.5 m -86.35 104.96 16.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' B' ' 45' ' ' PHE . 29.0 mt -95.86 172.1 8.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.484 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.563 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 75.7 m-70 -124.99 157.3 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.796 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.588 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 1.2 tm? -123.29 108.02 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.928 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.549 ' O ' ' HB2' ' B' ' 71' ' ' LEU . 39.6 t -142.96 139.97 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.691 ' HB3' ' O ' ' B' ' 40' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.467 0.392 0 O-C-N 123.862 0.726 . . . . 0.0 109.835 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1342 ' ' LYS . . . . . 0.541 ' O ' HG23 ' A' 1346 ' ' VAL . 59.5 mttp . . . . . 0 CA--C 1.52 -0.19 0 CA-C-O 120.686 0.279 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1343 ' ' SER . . . . . . . . . . . . . 63.6 m -64.64 -42.04 95.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.379 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 75.8 mt -54.91 -38.01 67.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -69.48 -41.09 76.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1346 ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' 1356 ' ' GLU . 0.7 OUTLIER -66.03 -32.89 60.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.405 -179.306 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -70.67 -47.28 60.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.306 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.86 -42.03 78.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.389 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1349 ' ' LEU . . . . . 0.475 HD12 HD11 ' A' 1363 ' ' LEU . 79.1 mt -71.12 -20.34 62.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.962 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1350 ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' 1354 ' ' PHE . 35.9 t -77.53 -10.82 59.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.632 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -96.22 -0.95 61.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1352 ' ' MET . . . . . . . . . . . . . 25.9 mtt -92.95 -75.83 0.48 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.756 0.313 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -163.99 8.7 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1354 ' ' PHE . . . . . 0.503 ' HB2' ' HB2' ' A' 1358 ' ' GLU . 0.3 OUTLIER -138.28 126.24 22.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.874 0.369 . . . . 0.0 110.898 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.8 p -59.42 178.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.264 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1356 ' ' GLU . . . . . 0.725 ' HA ' HG12 ' A' 1346 ' ' VAL . 1.1 mp0 -62.72 -16.0 55.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.531 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.95 -63.81 1.1 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.024 0.44 . . . . 0.0 110.236 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1358 ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' 1354 ' ' PHE . 40.7 mt-10 -56.17 -32.21 64.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.906 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1359 ' ' ALA . . . . . 0.406 ' O ' HD12 ' A' 1363 ' ' LEU . . . -74.52 -36.31 63.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.048 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -57.11 -45.34 83.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.062 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -69.95 -51.28 34.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.89 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -52.35 -57.68 9.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.212 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1363 ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' 1368 ' ' TRP . 8.7 mt -58.79 -59.58 5.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.581 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -45.57 -64.59 0.7 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.345 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 65.7 tttm -50.65 -52.09 42.97 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 123.992 0.807 . . . . 0.0 111.542 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1366 ' ' CYS . . . . . 0.533 ' SG ' ' HB1' ' A' 1372 ' ' ALA . 4.7 t -61.91 -10.05 8.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.481 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1367 ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' 1366 ' ' CYS . 0.2 OUTLIER 95.05 52.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.301 1.0 . . . . 0.0 109.166 179.468 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1368 ' ' TRP . . . . . 0.579 ' HZ3' HG22 ' A' 1346 ' ' VAL . 82.0 m95 36.24 80.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.485 -1.234 . . . . 0.0 112.015 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1369 ' ' ASP . . . . . 0.505 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 39.6 m-20 -142.28 120.43 12.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.223 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1370 ' ' LEU . . . . . 0.679 HD11 HD22 ' B' ' 8' ' ' LEU . 3.1 tm? -52.01 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1371 ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -49.89 -47.25 52.11 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1372 ' ' ALA . . . . . 0.533 ' HB1' ' SG ' ' A' 1366 ' ' CYS . . . -57.9 -40.54 80.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 0.0 111.027 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1373 ' ' ALA . . . . . 0.424 ' HB3' HD11 ' A' 1349 ' ' LEU . . . -65.45 -41.98 92.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.954 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1374 ' ' THR . . . . . 0.649 ' HB ' HG21 ' B' ' 70' ' ' VAL . 41.7 m -55.08 -45.67 75.4 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1375 ' ' ASN . . . . . 0.579 ' HA ' HD12 ' A' 1378 ' ' LEU . 0.4 OUTLIER -65.89 -27.65 68.36 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.823 178.576 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1376 ' ' PHE . . . . . 0.429 ' HA ' ' HB2' ' A' 1380 ' ' SER . 33.3 t80 -65.16 -37.34 87.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.117 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.1 -27.57 57.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1378 ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' 1375 ' ' ASN . 26.9 mt -76.97 -57.96 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -93.07 -66.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.48 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1380 ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 29.1 m -55.21 171.15 0.17 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.88 0.372 . . . . 0.0 111.346 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.114 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.794 0.331 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -121.76 139.92 52.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.216 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.4 pt -113.15 152.39 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -117.42 99.54 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.381 . . . . 0.0 111.33 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 75.1 t -76.57 140.06 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.672 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -107.62 110.67 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.171 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.4 p -82.67 156.3 23.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.624 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.679 HD22 HD11 ' A' 1370 ' ' LEU . 88.5 mt -79.31 2.03 22.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -97.37 -10.98 24.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.922 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.59 46.0 2.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.56 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -136.1 145.19 45.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.942 0.401 . . . . 0.0 111.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 93.1 m -108.02 106.37 16.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.793 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.559 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 76.3 mt -85.82 120.43 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.244 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -102.68 113.49 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.75 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' B' ' 13' ' ' ILE . 96.8 mt -122.5 137.32 54.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.301 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.73 102.05 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.254 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -110.96 -172.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.36 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -126.24 173.62 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 65.7 m -76.15 -5.99 49.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -111.63 -6.21 14.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.126 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.16 148.42 40.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.019 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 42.0 p -107.11 162.19 14.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -57.64 -49.4 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -51.45 -32.75 28.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.629 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -70.72 -46.66 62.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 111.051 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.4 t -52.19 -50.57 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.422 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.599 ' HB3' HE21 ' B' ' 41' ' ' GLN . 4.4 mmmm -51.66 -44.83 63.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.632 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -59.5 -45.37 91.89 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.27 -38.43 80.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.13 -43.75 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -62.52 -36.6 83.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.438 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -79.95 -10.65 59.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.174 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.538 ' HG2' HG23 ' B' ' 13' ' ' ILE . 57.8 tptt -90.11 -68.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.39 -70.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.784 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.85 37.0 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.757 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.543 ' N ' HD12 ' B' ' 36' ' ' ILE . 3.5 mp -85.76 130.25 51.5 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.5 115.06 2.21 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.679 2.252 . . . . 0.0 112.919 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.546 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 27.9 Cg_exo -63.05 -21.55 73.03 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.775 2.317 . . . . 0.0 112.646 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.13 -3.7 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.43 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -125.9 -49.99 1.59 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.649 0.261 . . . . 0.0 111.295 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.599 HE21 ' HB3' ' B' ' 27' ' ' LYS . 10.9 pt20 -56.22 143.05 35.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.06 0.457 . . . . 0.0 111.613 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -140.19 132.19 27.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.207 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.52 HD23 ' HE3' ' B' ' 27' ' ' LYS . 0.2 OUTLIER -78.2 140.05 38.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.689 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.461 HD13 HD21 ' A' 1378 ' ' LEU . 52.6 mt -135.65 143.72 35.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.321 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.4 ' HB3' HD21 ' B' ' 50' ' ' LEU . 61.9 t80 -152.16 125.51 8.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.395 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 19.24 9.95 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.317 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.37 3.9 71.6 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.606 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -101.02 130.39 47.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.34 . . . . 0.0 111.034 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.473 ' HB2' HD22 ' A' 1378 ' ' LEU . 0.2 OUTLIER -75.7 98.68 4.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.44 179.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.494 ' HB2' ' HB3' ' B' ' 43' ' ' LEU . 26.1 mt -62.47 106.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.85 176.37 6.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.4 162.09 24.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.618 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.89 -42.54 2.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.192 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -77.13 164.38 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.58 -176.42 3.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' B' ' 61' ' ' ILE . 6.9 mp -71.52 -21.42 61.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.842 0.353 . . . . 0.0 111.069 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.1 t -75.14 -22.6 58.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.9 -13.88 59.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.861 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.495 ' HB2' HG13 ' B' ' 61' ' ' ILE . 82.7 m-85 -126.49 5.14 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 57.76 30.14 18.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.495 HG13 ' HB2' ' B' ' 59' ' ' TYR . 60.6 mt -62.16 115.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -86.18 -176.51 5.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 159.4 14.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 59.83 17.47 6.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.808 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.5 m -82.96 166.36 18.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.546 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 70.6 m -113.24 102.51 10.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.045 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 25.1 mt -86.49 -179.65 6.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.331 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -131.34 158.77 39.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.237 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' B' ' 41' ' ' GLN . 17.5 tp -136.28 122.0 19.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.53 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.649 HG21 ' HB ' ' A' 1374 ' ' THR . 14.6 p -130.96 148.03 33.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.918 0.389 . . . . 0.0 111.538 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 121.074 0.464 . . . . 0.0 111.333 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.952 0.406 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.711 HG23 ' HB3' ' A' 1343 ' ' SER . 0.0 OUTLIER -55.65 137.86 70.3 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.655 178.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -62.92 -49.42 5.15 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.419 2.08 . . . . 0.0 112.643 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -49.11 -48.7 44.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.617 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . 0.711 ' HB3' HG23 ' A' 1340 ' ' THR . 37.6 t -79.1 -31.06 44.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 111.195 -179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 52.0 tp -58.88 -42.29 89.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -64.05 -48.96 74.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.949 0.404 . . . . 0.0 110.774 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 41.6 t -60.7 -32.26 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.188 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -68.92 -50.17 51.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.052 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.07 -39.07 91.17 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.918 0.389 . . . . 0.0 110.393 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.438 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 81.9 mt -70.05 -29.18 66.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.326 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' 1354 ' ' PHE . 46.0 t -69.84 -19.27 63.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.997 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.03 34.95 5.28 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.538 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 77.8 mtp -121.91 -40.47 2.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 0.0 110.982 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 162.66 8.92 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.055 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . 0.438 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -141.1 156.02 46.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.349 . . . . 0.0 111.0 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 56.0 p -70.16 175.5 4.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.704 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -73.04 -24.55 60.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.978 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -58.61 5.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.512 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -56.27 -40.21 73.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.706 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.01 -33.03 74.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.732 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -64.03 -54.28 36.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 61.0 m-20 -59.81 -47.47 85.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.952 0.405 . . . . 0.0 110.757 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.43 -50.99 64.07 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.365 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' 1368 ' ' TRP . 10.1 mt -59.4 -59.31 5.66 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.523 -179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -45.34 -64.39 0.73 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.163 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 68.4 mttm -51.14 -50.88 58.04 Favored 'General case' 0 N--CA 1.464 0.249 0 O-C-N 124.05 0.844 . . . . 0.0 111.876 -179.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.572 ' O ' ' HB2' ' A' 1367 ' ' ASN . 96.8 m -63.75 -7.42 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.823 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.572 ' HB2' ' O ' ' A' 1366 ' ' CYS . 0.8 OUTLIER 93.07 52.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.4 1.062 . . . . 0.0 109.311 179.419 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.495 ' N ' ' O ' ' A' 1363 ' ' LEU . 70.5 m95 44.17 31.28 0.53 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.951 -178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 16.0 m-20 -93.75 127.59 39.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.783 0.325 . . . . 0.0 110.556 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 36.5 tp -62.7 -64.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.105 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.601 ' HG2' HD13 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -52.38 -41.83 63.47 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.772 0.32 . . . . 0.0 110.853 -179.526 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.525 ' N ' ' HG3' ' A' 1371 ' ' GLU . . . -65.75 -34.25 77.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.432 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -62.71 -53.41 54.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.115 179.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.614 HG21 HG21 ' B' ' 70' ' ' VAL . 17.0 m -57.22 -41.84 80.23 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.63 ' HA ' HD12 ' A' 1378 ' ' LEU . 5.1 t30 -61.05 -29.02 69.48 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.913 178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.437 ' O ' ' HB2' ' A' 1380 ' ' SER . 32.7 t80 -69.07 -48.67 62.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.582 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.57 -20.06 65.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.558 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.63 HD12 ' HA ' ' A' 1375 ' ' ASN . 57.4 mt -81.04 -61.56 1.92 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.399 -179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.5 t70 -93.34 -64.18 1.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.526 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' 1376 ' ' PHE . 28.0 m -48.46 129.88 16.32 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.461 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.199 -0.905 . . . . 0.0 111.091 -179.928 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptm . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.719 0.295 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -117.17 154.74 30.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.183 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.458 ' HB ' HD23 ' B' ' 67' ' ' LEU . 44.5 pt -124.31 144.47 34.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.877 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -107.29 100.07 9.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.37 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 55.7 t -78.67 142.12 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.523 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -122.54 113.26 19.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.458 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.453 HG21 ' HZ3' ' B' ' 11' ' ' LYS . 61.4 p -83.37 154.5 24.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.87 179.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 66.7 mt -81.66 16.43 1.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.729 0.3 . . . . 0.0 111.211 -179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 7.8 m -111.54 -11.47 14.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.796 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.16 33.23 4.99 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.414 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.558 ' HE3' ' HG2' ' B' ' 34' ' ' GLU . 8.0 ttpm? -121.27 134.98 55.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.977 0.418 . . . . 0.0 111.209 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 42.7 m -105.0 136.08 45.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.647 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 78.2 mt -126.23 125.84 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.972 0.415 . . . . 0.0 111.44 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.8 m -106.5 113.24 26.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.375 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -112.48 147.72 35.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.006 0.431 . . . . 0.0 111.495 -179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -106.06 112.86 26.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.619 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -125.76 176.49 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.948 0.404 . . . . 0.0 111.416 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -115.18 177.85 4.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.557 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.8 t -76.39 1.35 16.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.776 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 86.7 p -120.66 4.78 10.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.009 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.54 165.89 11.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.434 ' O ' HG23 ' B' ' 26' ' ' VAL . 35.3 p -130.2 160.58 33.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.433 HG22 ' HD3' ' B' ' 27' ' ' LYS . 39.9 mm -57.68 -54.02 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -47.24 -37.7 10.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.594 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -68.39 -40.69 81.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 111.057 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.434 HG23 ' O ' ' B' ' 22' ' ' THR . 12.7 t -58.11 -43.79 86.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 121.013 0.435 . . . . 0.0 110.938 179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.561 ' HB3' HE21 ' B' ' 41' ' ' GLN . 4.6 mmmm -59.44 -47.88 83.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.994 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 98.5 p -59.14 -41.73 89.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.775 0.321 . . . . 0.0 110.743 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.03 -47.24 83.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 70.3 mt -61.51 -39.27 82.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.015 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.448 ' HB2' ' HG3' ' B' ' 38' ' ' PRO . 6.7 tp60 -59.82 -47.0 87.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -76.22 -15.76 59.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 41.6 mmtt -77.93 -67.64 0.71 Allowed 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.027 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.558 ' HG2' ' HE3' ' B' ' 11' ' ' LYS . 2.3 mp0 -104.08 -61.94 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.092 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.44 10.38 0.34 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.771 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.38 121.35 59.37 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.565 0.182 . . . . 0.0 110.638 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.447 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 88.6 Cg_exo -47.28 120.35 4.3 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.644 2.23 . . . . 0.0 112.654 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.505 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 20.7 Cg_exo -66.26 -32.17 42.54 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.716 2.278 . . . . 0.0 112.688 -179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -73.62 -6.29 45.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.328 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.447 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 18.0 mp0 -114.64 -53.71 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.473 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.561 HE21 ' HB3' ' B' ' 27' ' ' LYS . 13.9 pt20 -52.98 142.95 18.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.61 -179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.439 ' HD2' HE22 ' B' ' 49' ' ' GLN . 83.0 mtm180 -140.28 133.83 30.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.513 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.467 ' HB3' HD12 ' B' ' 50' ' ' LEU . 0.3 OUTLIER -80.12 136.28 36.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.142 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.561 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 20.3 mt -133.8 147.48 30.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.086 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 43.8 t80 -152.0 125.84 9.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.86 20.61 5.37 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.69 -26.71 22.05 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.386 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -85.86 126.34 33.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.901 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.498 ' HB2' HD22 ' A' 1378 ' ' LEU . 35.5 tt0 -72.87 128.61 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.936 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.467 HD12 ' HB3' ' B' ' 43' ' ' LEU . 52.5 mt -73.32 107.52 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.771 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.24 129.9 41.78 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -60.32 138.35 57.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.44 -48.15 0.97 Allowed Glycine 0 CA--C 1.518 0.243 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.659 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -70.24 166.67 19.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.872 0.367 . . . . 0.0 111.207 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 66.5 p -91.02 -173.31 3.62 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.288 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.462 ' HA ' HD12 ' B' ' 61' ' ' ILE . 41.7 mt -86.76 -16.96 34.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.3 t -79.61 -21.83 44.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.15 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -72.55 -14.78 61.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.304 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.543 ' HB2' HG13 ' B' ' 61' ' ' ILE . 78.3 m-85 -118.33 13.34 13.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.781 0.324 . . . . 0.0 111.161 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 57.27 22.51 7.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.543 HG13 ' HB2' ' B' ' 59' ' ' TYR . 90.7 mt -56.61 106.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.928 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -74.65 -167.52 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.218 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.482 ' HD3' ' N ' ' B' ' 63' ' ' LYS . 3.6 mppt? -88.6 147.16 24.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.981 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 56.94 23.05 7.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.6 m -60.77 148.4 39.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.01 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.5 m -89.36 96.3 10.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.931 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.458 HD23 ' HB ' ' B' ' 3' ' ' ILE . 4.0 mm? -90.73 155.63 18.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.082 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.561 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 24.8 m-70 -120.14 151.86 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.462 HD11 ' HB2' ' B' ' 41' ' ' GLN . 14.8 tp -129.94 106.61 8.77 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.772 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.614 HG21 HG21 ' A' 1374 ' ' THR . 60.5 t -119.67 137.95 51.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.229 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 67.7 mt -74.57 158.58 33.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.047 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -73.29 -29.92 63.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.602 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.601 HD13 ' HG2' ' A' 1371 ' ' GLU . 7.1 tp 64.61 163.19 0.13 Allowed 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.148 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 70.1 ttt180 -120.55 131.77 54.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.792 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.94 19.73 0.97 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.508 179.922 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.752 0.311 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.404 ' HA ' ' HD3' ' A' 1341 ' ' PRO . 5.1 t -86.97 144.62 36.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.365 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' 1340 ' ' THR . 14.8 Cg_exo -71.36 -28.73 17.79 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.751 2.3 . . . . 0.0 112.046 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 59.6 mttp -61.87 -28.99 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.706 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 89.1 p -83.83 -46.05 12.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.758 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 91.5 mt -56.7 -32.92 65.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.989 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . 0.433 ' O ' ' HG ' ' A' 1349 ' ' LEU . . . -66.83 -51.14 59.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.722 179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 57.1 t -63.69 -32.4 56.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.231 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -72.12 -52.54 16.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.11 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.1 -39.38 78.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.308 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' 1345 ' ' ALA . 52.1 mt -68.53 -34.3 75.62 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.2 t -63.25 -24.14 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -98.88 40.21 2.52 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.39 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 69.0 mtp -129.26 -43.14 1.31 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.745 0.307 . . . . 0.0 111.041 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 165.85 5.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.711 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -134.83 165.79 24.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.831 0.348 . . . . 0.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 81.5 p -80.02 179.8 7.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.255 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -72.17 -36.72 69.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.908 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -61.67 -60.42 3.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.948 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -50.75 -33.78 24.48 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.631 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . 0.403 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -70.34 -40.26 74.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.742 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 25.7 t-80 -61.9 -50.84 70.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -61.69 -44.96 95.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.87 -54.51 45.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.301 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' 1369 ' ' ASP . 11.9 mt -56.33 -58.69 6.92 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.242 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -45.18 -64.43 0.72 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.853 -178.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 27.9 tptp -50.6 -53.94 26.64 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 123.928 0.768 . . . . 0.0 111.685 -179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.538 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 97.8 m -58.77 -9.95 2.08 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.573 179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' A' 1366 ' ' CYS . 11.7 m120 93.16 53.03 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 O-C-N 124.309 1.006 . . . . 0.0 109.17 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.3 m95 39.35 81.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 114.538 -1.21 . . . . 0.0 111.724 -178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 24.4 t70 -155.9 134.83 11.98 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.448 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' 1370 ' ' LEU . 9.2 mt -62.66 -74.77 0.09 Allowed 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -46.17 -36.64 6.17 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.672 0.272 . . . . 0.0 111.528 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.538 ' HB1' ' HB3' ' A' 1366 ' ' CYS . . . -67.36 -42.97 82.6 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.866 0.365 . . . . 0.0 110.435 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -65.15 -52.74 53.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.637 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.485 ' O ' ' HG ' ' A' 1378 ' ' LEU . 50.2 m -54.43 -50.06 68.52 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.694 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.0 t30 -57.71 -31.15 66.13 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.071 179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.508 ' O ' ' HB3' ' A' 1380 ' ' SER . 46.5 t80 -66.48 -53.97 29.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.302 179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.1 -25.37 4.99 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-O 120.901 0.382 . . . . 0.0 110.721 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.694 HD12 ' HA ' ' A' 1375 ' ' ASN . 28.7 mt -76.09 -52.28 10.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.462 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 13.9 t70 -94.12 -68.06 0.82 Allowed 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.676 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.508 ' HB3' ' O ' ' A' 1376 ' ' PHE . 52.7 p 33.53 83.44 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.117 0.567 . . . . 0.0 111.867 -179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.269 -0.872 . . . . 0.0 111.155 -179.867 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.459 ' HB3' ' O ' ' B' ' 17' ' ' VAL . 14.7 tpt . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.765 0.317 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -126.21 144.44 50.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.3 pt -130.42 164.05 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.746 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -123.02 102.33 7.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.913 0.387 . . . . 0.0 111.193 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 58.8 t -88.05 125.72 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.634 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -123.64 135.74 54.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.868 0.366 . . . . 0.0 111.625 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.8 p -96.59 159.09 15.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.583 179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.572 HD21 HG22 ' B' ' 70' ' ' VAL . 3.8 mm? -65.82 -21.31 66.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.755 0.312 . . . . 0.0 111.2 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.3 p -72.39 -3.55 24.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.081 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.54 58.98 2.07 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.411 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -139.37 124.62 19.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.7 m -96.41 140.9 30.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 21.8 mt -136.93 139.89 43.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.255 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.2 m -110.32 129.88 55.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.556 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 51.6 tp -131.04 147.11 52.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.91 0.386 . . . . 0.0 111.343 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -109.63 96.2 6.11 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.054 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.459 ' O ' ' HB3' ' B' ' 1' ' ' MET . 33.6 m -108.11 -162.24 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.375 -179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.448 ' HB2' ' HB2' ' B' ' 21' ' ' ASP . 42.6 mt-10 -124.36 154.29 40.56 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p -69.01 -21.28 64.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.037 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 85.5 p -104.22 2.58 31.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.448 ' HB2' ' HB2' ' B' ' 18' ' ' GLU . 17.8 t70 -67.73 153.93 42.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.433 ' O ' HG23 ' B' ' 26' ' ' VAL . 67.8 p -84.23 177.59 8.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.284 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -80.27 -54.08 11.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.217 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -55.22 -37.93 67.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.321 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.665 HD21 ' HE2' ' B' ' 29' ' ' LYS . 8.1 t30 -56.75 -40.86 76.55 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.111 0.481 . . . . 0.0 110.204 179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.433 HG23 ' O ' ' B' ' 22' ' ' THR . 61.4 t -62.85 -36.2 74.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.413 179.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.533 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 33.7 mmtp -59.86 -42.46 93.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.23 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.3 t -64.64 -45.99 84.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.367 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.665 ' HE2' HD21 ' B' ' 25' ' ' ASN . 66.0 mttm -55.44 -39.92 70.89 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.644 179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.2 mt -69.68 -37.62 74.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.793 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -57.67 -50.49 73.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.17 -23.22 63.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -64.19 0.93 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.942 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -102.77 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.972 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 150.44 0.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.695 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.424 HG22 ' HB3' ' B' ' 41' ' ' GLN . 35.2 mm -58.51 130.86 85.05 Favored Pre-proline 0 CA--C 1.532 0.283 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 19.0 Cg_endo -58.76 139.22 89.85 Favored 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.406 2.071 . . . . 0.0 112.487 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.516 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 5.0 Cg_exo -77.72 -32.37 2.78 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.875 2.384 . . . . 0.0 112.438 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -76.42 8.23 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.588 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -134.33 -47.27 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.154 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.516 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.4 pt20 -57.82 145.43 35.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.997 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.475 HH11 HE22 ' B' ' 49' ' ' GLN . 97.1 mtt180 -142.46 142.74 32.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.601 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.533 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 80.5 mt -97.94 129.46 44.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.409 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.609 HD11 HD11 ' A' 1378 ' ' LEU . 66.0 mt -121.01 137.44 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -140.44 129.7 23.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.03 15.12 4.84 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.263 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.63 -21.41 45.3 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.714 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -90.33 132.07 35.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 0.0 111.083 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.489 ' NE2' HD13 ' A' 1378 ' ' LEU . 35.4 tt0 -78.44 131.88 37.08 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.939 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 49.8 mt -79.18 130.84 35.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -89.37 143.51 26.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.957 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -70.17 148.0 49.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 99.62 -28.86 13.52 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.594 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -87.71 -179.54 6.31 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.709 0.29 . . . . 0.0 110.739 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 60.5 p -112.07 -174.52 2.48 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.086 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 48.9 mt -81.66 -15.29 55.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.143 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.1 p -81.32 -28.78 34.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.542 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -70.45 -4.54 23.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.533 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.9 m-85 -131.11 2.03 4.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.971 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.2 m120 56.4 89.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.942 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.9 mt -123.41 115.42 45.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.943 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -73.94 179.12 4.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.426 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -77.59 152.2 34.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.785 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 55.65 24.13 6.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.01 0.433 . . . . 0.0 110.654 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 75.9 p -59.8 160.51 7.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.092 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 40.8 m -107.64 104.37 13.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.421 ' HB3' HD22 ' B' ' 43' ' ' LEU . 4.6 mm? -98.0 147.07 24.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 67.3 m-70 -108.12 137.74 45.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.077 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' B' ' 41' ' ' GLN . 14.3 tp -107.92 114.24 28.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.389 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.572 HG22 HD21 ' B' ' 8' ' ' LEU . 38.3 t -122.86 148.18 26.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 111.353 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.3 tp -82.47 136.79 34.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.347 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -68.2 -37.3 80.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.183 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 49.8 mt 60.13 -177.32 0.1 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.963 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 59.13 96.97 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.068 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 99.54 27.53 7.99 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.541 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.342 -1.255 . . . . 0.0 112.558 179.891 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 41.2 p . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.902 0.382 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.414 HG23 ' H ' ' A' 1340 ' ' THR . 0.1 OUTLIER -81.38 161.66 61.36 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.215 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.08 -26.57 36.71 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.071 1.848 . . . . 0.0 112.426 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 36.2 mtmm -89.48 -28.72 19.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.3 t -83.63 -42.46 16.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 44.4 mt -62.72 -27.65 69.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -69.57 -50.7 42.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.578 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 45.9 t -62.64 -35.83 72.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.163 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.36 -46.37 73.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.768 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -30.82 71.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.939 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.485 HD12 HD11 ' A' 1363 ' ' LEU . 79.4 mt -80.49 -23.98 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.004 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 43.8 t -69.08 -25.24 64.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -86.52 -4.04 83.53 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.242 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 84.0 mmm -74.61 -67.59 0.62 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.797 0.332 . . . . 0.0 110.828 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 179.52 16.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.695 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . 0.403 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -139.09 168.35 20.03 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.852 0.358 . . . . 0.0 111.083 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.6 p -75.04 174.08 9.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.499 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -73.22 -24.82 60.54 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -68.76 -53.89 19.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -58.26 -36.64 73.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.62 68.91 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.783 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -61.41 -49.14 78.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.643 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 54.1 m-20 -66.19 -42.13 89.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.772 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.45 -49.57 75.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.449 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.51 ' HA ' ' HB2' ' A' 1373 ' ' ALA . 6.5 mt -63.37 -59.43 4.7 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 120.916 0.388 . . . . 0.0 110.949 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -45.34 -63.82 0.86 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.804 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 51.5 tptt -51.27 -53.03 39.45 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 123.853 0.721 . . . . 0.0 111.773 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.452 ' O ' ' CB ' ' A' 1367 ' ' ASN . 4.9 p -61.32 -8.56 3.99 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.516 0.198 . . . . 0.0 110.505 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' 1366 ' ' CYS . 7.4 t30 95.03 52.83 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.275 0.984 . . . . 0.0 109.358 179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.493 ' N ' ' O ' ' A' 1363 ' ' LEU . 80.1 m95 37.07 72.21 0.12 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.965 -178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.462 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 40.5 m-20 -138.78 124.55 19.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.81 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . 0.552 ' HG ' HD21 ' B' ' 8' ' ' LEU . 20.7 tp -53.62 -76.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -47.4 -40.61 18.13 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.576 ' HA ' ' OD1' ' A' 1375 ' ' ASN . . . -59.95 -47.76 84.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.912 0.387 . . . . 0.0 111.093 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . 0.51 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -63.68 -37.93 89.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.615 HG21 HG21 ' B' ' 70' ' ' VAL . 10.6 m -57.68 -54.36 47.79 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.016 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.635 ' HA ' HD12 ' A' 1378 ' ' LEU . 0.7 OUTLIER -64.29 -24.37 67.63 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.088 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' 1373 ' ' ALA . 30.3 t80 -64.23 -38.86 92.55 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 178.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' 1377 ' ' LEU . 4.2 mm? -74.3 -25.72 59.75 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.69 178.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.635 HD12 ' HA ' ' A' 1375 ' ' ASN . 36.0 mt -76.61 -60.08 2.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -92.94 -64.98 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.447 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' 1376 ' ' PHE . 28.3 m -55.48 170.11 0.26 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.305 -179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.165 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.523 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 3.9 ppp? . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -109.87 164.81 12.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.039 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 pp -139.74 155.92 25.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.92 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -114.23 112.7 23.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.055 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.644 HG12 ' HB2' ' B' ' 69' ' ' LEU . 1.8 t -86.07 109.04 18.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.646 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -94.18 97.06 10.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.373 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.541 HG22 HD23 ' B' ' 69' ' ' LEU . 70.5 p -65.07 147.28 53.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.168 179.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.552 HD21 ' HG ' ' A' 1370 ' ' LEU . 12.2 tp -72.46 5.88 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 110.954 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 39.2 p -98.96 -24.42 14.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.99 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.7 41.97 0.83 Allowed Glycine 0 C--N 1.331 0.277 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.694 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -138.49 126.94 23.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.681 0.277 . . . . 0.0 111.191 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 63.6 m -96.76 138.41 34.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.467 179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 25.9 mm -120.36 114.46 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.537 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.8 m -87.75 113.61 23.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.276 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 55.6 tp -127.09 144.07 51.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.91 0.386 . . . . 0.0 111.623 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -107.17 120.22 41.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.304 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.42 179.11 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.97 0.414 . . . . 0.0 111.678 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -99.28 175.14 5.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.75 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 84.7 p -75.92 -27.17 57.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.052 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.8 t -101.13 17.02 23.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.044 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.38 139.26 55.82 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 74.7 p -87.41 144.66 26.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.508 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.6 mm -56.72 -36.24 48.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.297 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.452 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 18.5 t70 -63.27 -34.84 78.56 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.968 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.469 ' ND2' ' HE2' ' B' ' 29' ' ' LYS . 54.1 t30 -72.46 -31.06 65.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.766 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.0 t -59.02 -52.73 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' B' ' 42' ' ' ARG . 2.0 mptm? -56.63 -40.45 75.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.8 m -59.17 -46.01 89.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.762 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.469 ' HE2' ' ND2' ' B' ' 25' ' ' ASN . 68.2 mttm -60.84 -44.21 97.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 66.8 mt -60.25 -36.79 70.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.659 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.415 ' HB2' ' HG3' ' B' ' 38' ' ' PRO . 41.8 tp60 -71.61 -32.47 68.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.842 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -83.35 -4.31 58.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.71 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -104.36 -66.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.959 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -92.39 -75.41 0.49 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.848 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.35 26.79 0.05 OUTLIER Glycine 0 C--N 1.331 0.282 0 C-N-CA 120.401 -0.904 . . . . 0.0 113.237 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.463 ' N ' HD12 ' B' ' 36' ' ' ILE . 4.2 mp -82.49 127.98 68.62 Favored Pre-proline 0 CA--C 1.532 0.267 0 CA-C-N 116.97 0.385 . . . . 0.0 110.328 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -56.21 117.72 4.41 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.576 2.184 . . . . 0.0 112.577 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.55 ' HA ' HE21 ' B' ' 41' ' ' GLN . 21.9 Cg_exo -65.27 -28.67 55.4 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.569 2.179 . . . . 0.0 112.44 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -69.5 -14.72 63.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.259 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.401 ' HB3' ' HB3' ' B' ' 71' ' ' LEU . 24.8 mm-40 -111.54 -59.13 2.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.337 -179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.55 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.4 pt20 -50.9 142.42 11.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.076 0.465 . . . . 0.0 112.161 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.41 ' HA ' ' NZ ' ' B' ' 27' ' ' LYS . 80.3 mtp180 -142.38 135.87 29.02 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.361 179.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.403 HD23 ' HE2' ' B' ' 27' ' ' LYS . 1.9 mm? -78.82 144.01 35.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.209 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.537 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 87.7 mt -137.17 125.88 34.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.378 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.447 ' HB3' HD21 ' B' ' 50' ' ' LEU . 80.0 t80 -134.83 137.92 43.75 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.972 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.01 19.84 7.63 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.293 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.11 -17.8 44.62 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.31 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -93.02 138.97 31.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.665 0.269 . . . . 0.0 110.776 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.4 HE21 ' HB3' ' B' ' 42' ' ' ARG . 21.0 tm0? -69.14 147.9 50.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.917 0.389 . . . . 0.0 111.292 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.447 HD21 ' HB3' ' B' ' 45' ' ' PHE . 3.6 mm? -101.19 101.41 12.11 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.922 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -71.26 151.56 44.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.923 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.508 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 6.0 m-20 -76.46 166.15 23.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 91.74 -52.45 2.98 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.548 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 36.6 mmt180 -75.57 170.59 15.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.012 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.9 p -103.61 -178.4 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.09 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 26.8 mt -71.16 -11.96 61.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -81.01 -30.68 34.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.291 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.04 -6.12 26.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.252 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -131.72 -1.43 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.967 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 51.1 t30 57.58 93.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.019 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.2 mt -125.52 126.27 70.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.801 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -74.01 -174.66 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.334 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.523 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 63.1 mmtt -88.18 142.72 27.53 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.894 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 57.0 20.93 5.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.261 179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.0 m -59.74 149.72 30.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 31.8 m -100.05 97.92 8.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.027 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.443 ' N ' HD12 ' B' ' 67' ' ' LEU . 7.2 mp -90.1 -173.01 3.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.467 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.537 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 59.4 m-70 -131.83 165.07 24.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.914 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.644 ' HB2' HG12 ' B' ' 5' ' ' VAL . 16.1 tp -135.97 126.1 26.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.203 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.615 HG21 HG21 ' A' 1374 ' ' THR . 59.8 t -137.28 133.15 46.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.515 179.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.401 ' HB3' ' HB3' ' B' ' 40' ' ' GLN . 8.2 mp -76.26 158.04 31.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.074 0.464 . . . . 0.0 111.237 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -55.19 -48.19 74.16 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.11 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 19.8 tp 61.8 109.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.011 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -151.73 127.18 10.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -157.64 2.05 0.12 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.561 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.452 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 41.3 p . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.883 0.373 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 2.6 t -133.03 144.4 52.61 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.15 -39.49 90.25 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.837 2.358 . . . . 0.0 112.663 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -59.36 -29.5 67.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.1 t -84.06 -42.79 15.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.83 -36.13 76.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.318 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -61.59 -51.7 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.363 . . . . 0.0 110.624 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 54.5 t -60.61 -38.05 77.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.64 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -64.18 -35.2 80.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.193 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' 1352 ' ' MET . 11.8 mm-40 -64.93 -55.29 20.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.108 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.472 HD22 ' HA ' ' A' 1359 ' ' ALA . 3.4 mp -53.35 -47.24 69.56 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.354 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.3 t -54.96 -28.32 50.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -96.79 34.77 4.8 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.673 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . 0.49 ' HG3' ' O ' ' A' 1348 ' ' GLU . 73.0 mtp -128.67 -65.66 0.87 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.636 0.255 . . . . 0.0 110.918 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -171.0 14.44 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.963 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.05 178.64 7.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.796 0.332 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 75.5 p -92.69 176.25 6.51 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.507 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.42 -32.86 64.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.302 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -62.61 -62.45 1.73 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-O 120.71 0.29 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -53.42 -29.66 36.24 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.229 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . 0.472 ' HA ' HD22 ' A' 1349 ' ' LEU . . . -71.36 -40.04 70.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.567 179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -62.54 -52.48 63.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.815 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -61.79 -42.15 98.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.61 76.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.456 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' 1368 ' ' TRP . 12.3 mt -60.36 -58.89 6.58 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.92 0.391 . . . . 0.0 111.074 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.5 -64.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.347 -178.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . 0.411 ' C ' ' H ' ' A' 1367 ' ' ASN . 45.1 mmtm -49.61 -56.29 10.56 Favored 'General case' 0 N--CA 1.463 0.189 0 O-C-N 124.024 0.828 . . . . 0.0 112.035 -179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' 1367 ' ' ASN . 4.5 p -58.07 -8.94 1.18 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-O 120.626 0.251 . . . . 0.0 110.363 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' 1366 ' ' CYS . 70.0 m-20 91.64 55.54 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.514 0 O-C-N 124.301 1.001 . . . . 0.0 109.115 179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.475 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.1 m95 36.68 82.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.667 -178.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.653 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 27.5 t70 -152.22 127.79 10.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.093 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . 0.544 HD12 ' HG ' ' B' ' 8' ' ' LEU . 3.0 tm? -57.31 -73.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -178.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -49.2 -38.37 25.81 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.653 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -66.45 -35.12 79.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.722 0.296 . . . . 0.0 110.882 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -71.91 -52.89 15.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.543 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.522 ' O ' ' HG ' ' A' 1378 ' ' LEU . 94.5 m -52.49 -39.0 60.74 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 178.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.519 ' HA ' HD12 ' A' 1378 ' ' LEU . 5.1 t30 -76.02 -27.61 57.43 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.099 179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 37.0 t80 -61.22 -36.26 79.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.772 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -75.89 -20.79 57.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.742 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' 1374 ' ' THR . 48.7 mt -79.13 -63.77 1.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.8 t70 -91.06 -62.51 1.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.374 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 44.3 m -58.47 170.8 0.69 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.123 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.21 -0.9 . . . . 0.0 111.061 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.457 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -123.23 143.02 50.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.169 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.525 ' HB ' HD23 ' B' ' 67' ' ' LEU . 2.7 pp -121.94 155.94 26.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.537 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 91.4 m-85 -119.99 120.56 36.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.838 0.352 . . . . 0.0 111.443 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.465 HG12 ' HB2' ' B' ' 69' ' ' LEU . 2.4 t -82.64 145.53 8.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -127.13 100.99 6.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.662 0.268 . . . . 0.0 111.705 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.55 HG22 HD23 ' B' ' 69' ' ' LEU . 69.7 p -84.8 148.78 26.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.062 179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.544 ' HG ' HD12 ' A' 1370 ' ' LEU . 2.3 mm? -65.56 -15.66 62.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.71 0.29 . . . . 0.0 111.036 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 50.6 p -73.4 -10.21 59.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.807 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.08 45.82 3.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.913 -0.66 . . . . 0.0 112.399 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.413 ' HE3' ' OE1' ' B' ' 34' ' ' GLU . 40.2 tttm -129.76 144.09 51.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.989 0.423 . . . . 0.0 111.305 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.431 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 39.0 m -120.97 110.15 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.514 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.458 ' O ' ' HA ' ' B' ' 4' ' ' PHE . 12.1 mt -92.63 149.31 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.3 m -118.67 112.75 20.2 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.514 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.438 HD21 ' HD2' ' B' ' 29' ' ' LYS . 57.5 tp -126.4 138.6 53.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.095 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -102.82 117.88 35.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.588 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -122.55 177.98 3.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.334 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -107.76 168.88 8.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.765 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.7 p -73.0 -13.44 61.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.792 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.6 m -108.25 2.96 23.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.944 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -63.73 155.59 29.67 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 78.9 p -110.55 148.93 31.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.222 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -57.36 -42.9 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 17.9 t70 -56.16 -32.68 64.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.044 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.499 ' ND2' ' HE3' ' B' ' 29' ' ' LYS . 54.9 t30 -76.3 -37.12 57.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.972 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.6 t -56.27 -54.71 24.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.144 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.494 ' HE2' HD13 ' B' ' 43' ' ' LEU . 2.1 mptm? -52.53 -43.42 65.14 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.9 0.381 . . . . 0.0 110.891 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 61.7 m -57.9 -44.92 87.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.702 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.499 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 99.2 mttt -61.19 -37.88 84.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.93 -35.06 74.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.802 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.443 ' NE2' ' HD3' ' B' ' 38' ' ' PRO . 28.6 tt0 -71.48 -36.55 71.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.709 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -81.44 -9.9 59.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.758 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.76 -63.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.413 ' OE1' ' HE3' ' B' ' 11' ' ' LYS . 66.0 mm-40 -94.79 -73.93 0.56 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.101 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 159.57 -7.43 0.14 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.937 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.415 HG22 ' HB3' ' B' ' 41' ' ' GLN . 12.4 mm -60.41 130.37 89.78 Favored Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.725 0.262 . . . . 0.0 110.518 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.501 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 72.2 Cg_endo -77.59 131.39 11.4 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.422 2.081 . . . . 0.0 113.013 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.53 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 28.0 Cg_exo -63.58 -25.63 69.64 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.015 2.477 . . . . 0.0 112.823 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -67.88 -5.06 14.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.623 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.6 mp0 -130.98 -47.86 1.02 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.651 -0.25 . . . . 0.0 111.602 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.54 ' NE2' HD11 ' B' ' 69' ' ' LEU . 18.0 pt20 -63.65 149.33 46.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.947 0.403 . . . . 0.0 111.431 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -146.18 140.41 26.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.687 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.494 HD13 ' HE2' ' B' ' 27' ' ' LYS . 3.8 mp -92.23 117.19 29.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.788 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.545 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 4.5 mp -106.75 141.55 21.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.923 0.392 . . . . 0.0 111.307 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.445 ' HB3' HD11 ' B' ' 50' ' ' LEU . 43.8 t80 -146.95 128.32 14.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.355 179.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.94 11.43 6.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.436 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.93 14.58 48.76 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.8 -0.714 . . . . 0.0 113.262 179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -127.59 134.06 49.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.807 0.337 . . . . 0.0 110.871 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.458 ' HB2' HD22 ' A' 1378 ' ' LEU . 0.1 OUTLIER -73.22 120.63 19.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.727 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.516 HD21 HD11 ' B' ' 61' ' ' ILE . 9.3 mp -75.42 108.34 8.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.778 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -61.97 156.15 21.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 4.0 p-10 -82.85 149.8 26.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.18 -14.82 58.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.528 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 40.8 mmt180 -87.11 170.8 11.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.5 m -99.81 153.77 18.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.124 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 74.2 mt -60.26 -36.58 78.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.263 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.1 p -67.58 -23.21 65.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.414 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.63 -20.96 66.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.131 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -114.47 4.03 15.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.062 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 56.75 93.02 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.516 HD11 HD21 ' B' ' 50' ' ' LEU . 57.0 mt -127.39 136.3 60.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -91.52 -172.3 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.959 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -84.81 147.37 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 60.29 22.95 12.38 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 71.8 m -58.51 160.82 5.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.065 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 87.3 m -110.86 99.17 8.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.365 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.525 HD23 ' HB ' ' B' ' 3' ' ' ILE . 3.7 mm? -86.42 148.3 25.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.663 179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.545 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 75.6 m-70 -108.3 128.14 54.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.55 HD23 HG22 ' B' ' 7' ' ' THR . 13.9 tp -97.87 114.45 26.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.401 HG21 ' CG2' ' A' 1374 ' ' THR . 42.6 t -127.48 141.21 46.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.199 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 90.2 mt -83.69 154.54 23.61 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -84.97 -24.39 28.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.243 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.4 HD12 ' N ' ' B' ' 73' ' ' LEU . 7.5 mp 63.42 -83.52 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.167 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 66.9 ttt180 60.09 17.67 7.01 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 139.05 14.97 0.62 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.426 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.515 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.649 0.261 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' 1341 ' ' PRO . 4.8 t -57.37 141.38 78.03 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.176 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 1340 ' ' THR . 14.1 Cg_endo -93.41 -66.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 123.156 2.571 . . . . 0.0 112.97 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -53.79 -52.24 60.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.647 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 43.6 t -60.53 -35.96 77.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.805 0.335 . . . . 0.0 110.738 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' 1341 ' ' PRO . 54.0 tp -59.27 -37.0 76.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.861 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . 0.403 ' O ' ' HG ' ' A' 1349 ' ' LEU . . . -60.95 -47.77 84.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.948 0.404 . . . . 0.0 110.425 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 41.2 t -67.99 -31.85 53.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.96 -38.24 76.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.088 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -73.34 -40.92 64.06 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.681 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' 1345 ' ' ALA . 81.6 mt -67.11 -40.22 86.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 45.2 t -64.17 -15.18 59.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.284 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.93 15.93 54.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.617 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.1 mtp -102.52 -56.33 2.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.712 0.291 . . . . 0.0 110.998 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -176.25 7.9 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.675 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -135.17 177.08 8.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 111.076 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 80.4 p -87.92 177.01 7.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.358 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -73.3 -27.07 61.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.68 -60.76 2.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -53.31 -35.39 60.09 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.717 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -71.58 -34.53 70.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.791 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 12.6 t-160 -63.44 -50.09 71.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.653 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -65.62 -45.65 82.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.746 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.18 -47.71 71.73 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.367 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' 1368 ' ' TRP . 13.7 mt -64.12 -59.6 4.24 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.439 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -46.36 -64.75 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 24.4 tptm -50.21 -54.94 17.51 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 124.09 0.869 . . . . 0.0 111.983 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' 1367 ' ' ASN . 3.7 p -57.85 -11.86 2.65 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 110.435 -0.209 . . . . 0.0 110.435 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.458 ' CB ' ' O ' ' A' 1366 ' ' CYS . 44.9 t-20 96.25 54.67 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.533 0 O-C-N 124.369 1.043 . . . . 0.0 109.585 178.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' 1363 ' ' LEU . 71.7 m95 39.51 59.34 1.82 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.808 -1.087 . . . . 0.0 111.886 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.524 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 32.4 m-20 -128.54 128.55 44.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.949 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.22 -69.89 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.449 ' HG3' HD21 ' B' ' 73' ' ' LEU . 0.1 OUTLIER -52.01 -41.94 62.61 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.046 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.524 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -64.71 -34.14 77.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 110.769 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . 0.407 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -64.25 -53.49 48.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.538 179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.726 ' HB ' HG21 ' B' ' 70' ' ' VAL . 90.6 m -55.33 -51.31 67.15 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 178.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.577 ' HA ' HD12 ' A' 1378 ' ' LEU . 4.9 t30 -57.84 -28.48 64.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.431 179.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.489 ' HA ' ' HB2' ' A' 1380 ' ' SER . 51.4 t80 -70.39 -37.73 74.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.998 179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 80.0 mt -76.37 -25.85 55.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.845 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.727 HD22 HE21 ' B' ' 49' ' ' GLN . 45.2 mt -76.54 -61.36 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.5 t70 -92.05 -65.68 0.99 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.372 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.489 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 5.2 m -53.63 167.19 0.25 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.111 -179.891 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.615 ' HB3' ' HE3' ' B' ' 63' ' ' LYS . 5.6 ppp? . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.716 0.293 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.429 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 4.1 pt20 -130.88 161.11 32.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.97 0.415 . . . . 0.0 111.278 -179.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -137.72 163.17 31.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.736 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -127.99 110.3 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.238 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 73.5 t -82.46 132.26 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.649 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -103.55 101.05 10.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.781 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.802 HG22 HD13 ' B' ' 69' ' ' LEU . 54.6 p -79.97 139.77 36.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.421 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.733 HD11 HG23 ' B' ' 70' ' ' VAL . 96.0 mt -63.67 -12.03 30.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.299 -179.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.7 p -79.38 -23.76 43.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.79 46.73 0.88 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -138.99 149.39 44.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 111.072 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 89.7 m -119.41 115.43 24.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.613 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.489 HG22 ' HG ' ' B' ' 15' ' ' LEU . 63.3 mt -95.66 122.97 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.601 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.2 m -95.83 115.27 27.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.485 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.489 ' HG ' HG22 ' B' ' 13' ' ' ILE . 61.6 mt -128.9 127.37 41.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.498 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.429 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 40.7 tt0 -99.69 113.58 26.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.548 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.4 m -128.32 -168.65 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.455 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -113.74 159.29 19.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.959 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 55.8 m -72.72 -22.36 60.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.3 m -91.78 3.23 55.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -80.05 150.28 30.4 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.7 p -87.58 170.05 11.64 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.369 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.711 HD12 HD23 ' B' ' 50' ' ' LEU . 38.9 mm -72.35 -46.89 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.356 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -51.3 -37.16 45.97 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.056 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -64.67 -41.93 95.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.65 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.9 t -58.44 -53.22 49.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.079 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.537 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 0.0 OUTLIER -53.2 -42.14 66.0 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.105 0.479 . . . . 0.0 110.257 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.9 t -61.64 -42.33 98.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.743 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 48.0 mtpt -59.91 -41.61 92.09 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.536 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.432 HG12 HD11 ' B' ' 15' ' ' LEU . 72.9 mt -60.99 -45.83 97.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.507 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 43.1 tp60 -63.64 -31.23 72.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.859 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.05 -9.81 52.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.165 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -93.91 -68.06 0.82 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.853 0.359 . . . . 0.0 110.725 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 20.0 mm-40 -94.41 -63.61 1.16 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.133 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.11 8.63 0.24 Allowed Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.796 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.648 HG21 HD11 ' B' ' 69' ' ' LEU . 2.7 mp -74.05 107.36 3.47 Favored Pre-proline 0 CA--C 1.533 0.325 0 CA-C-N 116.687 0.244 . . . . 0.0 110.476 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.3 Cg_endo -55.09 132.88 54.95 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.688 2.258 . . . . 0.0 112.615 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.458 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 22.2 Cg_exo -65.32 -46.16 6.16 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.785 2.324 . . . . 0.0 112.807 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -64.25 -3.93 3.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.939 0.399 . . . . 0.0 111.212 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.666 ' HG3' ' HA ' ' B' ' 72' ' ' ARG . 19.2 tp60 -109.08 -42.44 4.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.289 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.511 ' HG3' ' HZ1' ' B' ' 27' ' ' LYS . 28.5 pt20 -87.94 168.37 12.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.656 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.456 HH21 ' HE3' ' B' ' 27' ' ' LYS . 3.3 tpm_? -145.35 126.66 14.86 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.945 179.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.537 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 1.1 mm? -88.6 132.61 34.47 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.587 ' HA ' ' HA ' ' B' ' 49' ' ' GLN . 4.3 mp -130.78 144.2 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.075 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.586 ' HB2' HD22 ' B' ' 67' ' ' LEU . 30.8 t80 -144.25 129.51 18.77 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 179.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.7 18.56 6.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.109 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.93 -25.53 27.82 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.846 -0.693 . . . . 0.0 112.349 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.42 ' NZ ' ' HB2' ' B' ' 48' ' ' LYS . 4.5 ttmp? -96.66 120.35 36.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.743 0.306 . . . . 0.0 110.819 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.727 HE21 HD22 ' A' 1378 ' ' LEU . 0.0 OUTLIER -60.32 165.65 3.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.711 HD23 HD12 ' B' ' 23' ' ' ILE . 7.4 mp -103.73 104.35 14.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.724 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -76.03 136.73 39.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.913 0.387 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -72.21 109.89 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.998 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 159.33 -33.55 0.46 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.403 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -105.9 179.35 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.748 0.308 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.0 p -98.93 -175.15 2.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.429 ' HA ' HD12 ' B' ' 61' ' ' ILE . 57.9 mt -75.64 -12.71 60.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.7 p -81.21 -21.82 39.3 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.306 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -78.12 -12.99 60.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.171 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.512 ' HB2' HG13 ' B' ' 61' ' ' ILE . 78.1 m-85 -114.35 15.0 18.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.175 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.2 m120 59.88 15.59 5.04 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.579 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.512 HG13 ' HB2' ' B' ' 59' ' ' TYR . 76.8 mt -59.57 136.96 22.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.764 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -131.24 -170.09 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.615 ' HE3' ' HB3' ' B' ' 1' ' ' MET . 13.2 mptt -67.15 146.94 53.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.985 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 57.61 20.76 6.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.069 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.7 t -57.6 138.12 55.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 85.8 m -99.13 106.9 19.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.203 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' B' ' 45' ' ' PHE . 20.5 mt -102.41 170.62 7.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.51 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -129.41 154.03 47.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.361 . . . . 0.0 111.125 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.802 HD13 HG22 ' B' ' 7' ' ' THR . 5.7 tt -119.61 113.38 20.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.362 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.733 HG23 HD11 ' B' ' 8' ' ' LEU . 1.7 p -131.24 173.02 15.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.814 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.621 ' H ' HG22 ' B' ' 70' ' ' VAL . 9.0 tp 98.25 -146.61 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.42 0 O-C-N 124.203 0.94 . . . . 0.0 110.916 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.666 ' HA ' ' HG3' ' B' ' 40' ' ' GLN . 10.8 mtm180 71.79 89.57 0.1 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.389 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.449 HD21 ' HG3' ' A' 1371 ' ' GLU . 91.6 mt -150.67 166.8 29.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.157 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -76.82 136.18 38.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.841 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 172.15 98.51 0.11 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.424 -1.209 . . . . 0.0 112.538 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . 0.435 ' HB ' HD13 ' A' 1344 ' ' LEU . 10.6 p . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.802 0.334 . . . . 0.0 111.419 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.547 HG23 ' HB2' ' A' 1343 ' ' SER . 2.4 t -63.74 123.03 80.14 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.456 179.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -54.26 -53.41 6.31 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.755 2.304 . . . . 0.0 113.413 -179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 30.1 mtpp -42.28 -51.97 4.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.682 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . 0.547 ' HB2' HG23 ' A' 1340 ' ' THR . 52.0 m -84.11 -25.72 29.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.567 -179.501 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . 0.435 HD13 ' HB ' ' A' 1339 ' ' THR . 25.1 tp -63.95 -32.65 74.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.064 -179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . 0.465 ' HB1' HD21 ' A' 1363 ' ' LEU . . . -72.33 -47.21 51.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.907 0.384 . . . . 0.0 110.467 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 47.3 t -62.35 -33.28 58.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.899 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -72.27 -45.81 58.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.584 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -34.76 75.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.149 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.415 HD23 ' SD ' ' A' 1352 ' ' MET . 69.3 mt -75.17 -34.8 61.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.658 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 42.0 t -63.92 -14.88 57.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.105 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -105.67 25.49 24.15 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.403 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . 0.415 ' SD ' HD23 ' A' 1349 ' ' LEU . 88.3 mtp -114.67 -50.87 2.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.712 0.291 . . . . 0.0 110.975 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 169.83 13.94 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.629 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.29 169.65 17.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.33 . . . . 0.0 111.12 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 81.0 p -87.54 175.68 7.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.429 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -73.84 -23.98 59.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.365 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -63.57 -64.14 0.98 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.942 0.401 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -54.78 -37.71 66.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.449 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . 0.403 ' O ' ' HB2' ' A' 1363 ' ' LEU . . . -68.55 -31.92 71.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.087 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -67.92 -54.04 21.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.918 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 45.4 m-80 -60.06 -49.9 75.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.892 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.03 72.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.157 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.635 HD13 ' HB2' ' A' 1373 ' ' ALA . 0.0 OUTLIER -55.77 -61.28 2.47 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.322 0.582 . . . . 0.0 111.28 -179.728 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -47.26 -65.5 0.56 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.227 -178.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 60.0 tttm -52.2 -53.2 46.29 Favored 'General case' 0 N--CA 1.463 0.216 0 O-C-N 124.133 0.896 . . . . 0.0 112.005 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.486 ' HB2' ' HB1' ' A' 1372 ' ' ALA . 1.6 p -55.01 -15.21 1.89 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.444 ' HB3' ' O ' ' A' 1366 ' ' CYS . 2.8 t-20 95.76 52.45 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.409 178.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.474 ' HA ' HD12 ' A' 1363 ' ' LEU . 76.4 m95 37.57 66.96 0.41 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.781 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.525 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 23.9 m-20 -134.61 136.02 42.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.455 179.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . 0.488 HD12 HD13 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -57.49 -75.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.137 -178.934 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.543 ' OE2' HD23 ' B' ' 73' ' ' LEU . 8.9 pt-20 -50.7 -40.7 54.74 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -62.63 -37.81 87.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.696 0.284 . . . . 0.0 111.38 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . 0.635 ' HB2' HD13 ' A' 1363 ' ' LEU . . . -62.91 -54.17 42.77 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.035 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.76 HG21 HG21 ' B' ' 70' ' ' VAL . 78.5 m -57.86 -50.05 74.62 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 3.8 t30 -56.36 -28.8 60.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.139 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.426 ' HA ' ' HB2' ' A' 1380 ' ' SER . 39.9 t80 -70.95 -38.79 72.85 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.924 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 2.0 mp -74.58 -19.84 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.97 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.619 HD22 ' HB2' ' B' ' 49' ' ' GLN . 69.5 mt -86.82 -63.84 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.6 t70 -83.8 -63.6 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.022 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.426 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 28.7 m -61.28 177.45 0.36 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.131 179.87 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.976 0.417 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -148.11 147.42 29.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.843 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.5 pt -124.02 157.24 31.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.048 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -117.95 120.56 38.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' B' ' 12' ' ' THR . 2.7 t -86.94 118.58 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.633 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -101.16 97.15 7.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.246 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.464 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 28.9 p -73.26 143.95 46.85 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.617 179.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.488 HD13 HD12 ' A' 1370 ' ' LEU . 92.4 mt -61.66 -16.44 48.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.273 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 70.3 p -79.49 -23.94 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.291 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.42 54.53 0.65 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.356 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -144.88 125.81 14.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.763 0.315 . . . . 0.0 110.483 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 33.4 m -98.68 134.67 41.27 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 7.0 mt -114.87 116.92 54.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.192 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.9 m -89.18 112.71 23.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.621 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -125.02 136.99 54.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.086 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -102.97 114.89 29.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.52 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.3 m -125.82 -175.56 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.344 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -122.38 173.86 7.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.657 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.8 t -74.29 -12.5 60.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 54.5 m -98.41 -10.66 23.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.46 142.56 56.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.619 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.59 ' H ' HD22 ' B' ' 25' ' ' ASN . 82.7 p -98.54 170.22 8.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.984 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.656 HD12 HD23 ' B' ' 50' ' ' LEU . 37.4 mm -65.68 -40.13 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -57.91 -37.87 74.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.581 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.59 HD22 ' H ' ' B' ' 22' ' ' THR . 92.7 m-20 -64.19 -34.95 79.26 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.543 179.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.45 -55.31 25.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.819 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.565 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 1.6 mmtp -55.61 -46.11 77.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.907 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.3 m -58.87 -40.67 85.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.22 -43.46 94.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.7 mt -63.22 -37.01 78.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 110.84 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -72.73 -31.0 64.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -88.1 -12.01 45.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.221 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -105.75 -66.58 0.98 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.321 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -80.82 -71.21 0.48 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.012 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.29 -3.26 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.766 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.495 ' N ' HD12 ' B' ' 36' ' ' ILE . 3.1 mp -68.96 114.71 24.99 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 9.5 Cg_endo -51.38 151.07 14.04 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.712 2.275 . . . . 0.0 112.44 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.543 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 71.9 Cg_endo -77.4 -45.18 0.16 Allowed 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.742 2.295 . . . . 0.0 113.162 -179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.77 8.15 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.974 0.416 . . . . 0.0 111.122 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.559 ' HB3' ' HG2' ' B' ' 72' ' ' ARG . 14.2 mm100 -124.61 -13.99 6.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.331 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.675 ' HB2' HD21 ' B' ' 69' ' ' LEU . 28.4 pt20 -114.51 142.88 45.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.78 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.501 ' HG3' HD22 ' B' ' 71' ' ' LEU . 98.1 mtt180 -134.56 127.4 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.409 178.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.565 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.7 mm? -89.95 121.16 31.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.482 -179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.501 HD13 HG23 ' B' ' 70' ' ' VAL . 3.1 mp -116.69 140.54 38.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.428 ' HB3' HD11 ' B' ' 50' ' ' LEU . 87.3 t80 -142.8 133.15 24.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.67 15.21 7.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.481 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.26 8.44 66.44 Favored Glycine 0 CA--C 1.518 0.244 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.888 179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 6.4 ttpm? -116.7 139.55 50.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.629 0.252 . . . . 0.0 110.699 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.619 ' HB2' HD22 ' A' 1378 ' ' LEU . 15.7 tm0? -77.31 128.56 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.71 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.656 HD23 HD12 ' B' ' 23' ' ' ILE . 8.4 mp -87.35 113.32 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.833 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -81.25 165.67 21.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.054 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -92.91 138.14 31.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.71 -32.63 5.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.596 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.551 HH21 ' HB3' ' B' ' 58' ' ' ASP . 45.4 mtp180 -93.38 150.81 20.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.805 0.336 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.1 p -78.42 -175.43 4.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.264 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.537 HD22 HD12 ' B' ' 61' ' ' ILE . 35.1 mt -78.17 -25.77 47.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.962 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.3 p -66.5 -21.88 66.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.148 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.551 ' HB3' HH21 ' B' ' 54' ' ' ARG . 19.9 m-20 -76.53 -21.97 55.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.38 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -112.84 -3.47 14.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.069 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.1 m120 55.0 90.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.537 HD12 HD22 ' B' ' 56' ' ' LEU . 58.1 mt -117.4 136.95 52.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.059 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -89.07 -172.6 3.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -89.87 141.47 28.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.951 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 59.13 24.61 12.98 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 49.1 m -59.31 165.74 2.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 54.0 m -123.86 97.18 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.463 ' N ' HD12 ' B' ' 67' ' ' LEU . 6.0 mp -85.81 -176.36 5.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.223 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -130.64 159.59 36.74 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.021 0.439 . . . . 0.0 111.472 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.675 HD21 ' HB2' ' B' ' 41' ' ' GLN . 0.4 OUTLIER -115.89 112.1 21.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.483 -179.856 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.76 HG21 HG21 ' A' 1374 ' ' THR . 13.0 t -122.41 171.24 11.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.528 -179.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.582 ' H ' HG12 ' B' ' 70' ' ' VAL . 12.4 tp 96.69 -142.15 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.751 0.82 . . . . 0.0 110.275 -179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.559 ' HG2' ' HB3' ' B' ' 40' ' ' GLN . 0.3 OUTLIER 65.51 48.28 2.06 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.258 0.551 . . . . 0.0 110.213 -179.259 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.543 HD23 ' OE2' ' A' 1371 ' ' GLU . 40.1 mt -84.88 178.66 7.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.012 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 55.55 -172.66 0.06 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.11 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 177.44 104.44 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.525 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.542 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' 1341 ' ' PRO . 3.9 t -55.97 141.29 67.82 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.226 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' 1340 ' ' THR . 10.5 Cg_endo -91.84 -65.51 0.01 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.735 0 C-N-CA 123.109 2.539 . . . . 0.0 112.927 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 60.7 mttp -52.37 -51.77 57.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.835 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 59.9 m -63.55 -31.56 72.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.181 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' 1340 ' ' THR . 56.2 tp -64.75 -34.07 77.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -63.84 -39.21 93.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 60.9 t -66.99 -48.35 79.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.318 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.15 -37.62 87.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -69.55 -41.99 75.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.441 HD12 ' HB1' ' A' 1359 ' ' ALA . 29.6 mt -65.34 -14.71 61.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.221 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 54.6 m -67.53 -27.19 66.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.604 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -79.34 -14.2 81.81 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.469 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 57.8 mmm -68.07 -66.34 0.58 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.795 0.331 . . . . 0.0 110.745 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 170.87 13.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.845 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.91 166.91 20.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.904 0.383 . . . . 0.0 111.358 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 76.7 p -76.63 -179.12 5.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.673 -179.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -72.97 -37.77 66.94 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.359 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -60.05 -61.12 2.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.146 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . 0.443 ' HB3' HD11 ' A' 1377 ' ' LEU . 42.8 mt-10 -48.9 -39.81 27.48 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . 0.441 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -69.96 -37.6 75.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.959 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -61.81 -55.63 27.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 43.9 m-80 -60.99 -41.49 96.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.714 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.36 -55.21 37.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.406 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.52 HD23 ' O ' ' A' 1369 ' ' ASP . 11.2 mt -57.45 -59.35 5.28 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.973 0.416 . . . . 0.0 111.199 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.38 -64.35 0.74 Allowed 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.951 -177.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -48.39 -57.43 6.06 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.939 0.774 . . . . 0.0 111.616 -179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.566 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 73.8 m -57.25 -11.6 1.84 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.769 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.46 ' CB ' ' O ' ' A' 1366 ' ' CYS . 7.6 t30 95.91 51.86 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 O-C-N 124.287 0.992 . . . . 0.0 109.118 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.482 ' N ' ' O ' ' A' 1363 ' ' LEU . 74.0 m95 42.89 82.94 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.836 -178.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.52 ' O ' HD23 ' A' 1363 ' ' LEU . 24.7 m-20 -152.62 129.69 11.11 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.292 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . 0.536 HD13 HD12 ' B' ' 8' ' ' LEU . 11.1 mt -56.24 -78.35 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.113 0 N-CA-C 112.984 0.735 . . . . 0.0 112.984 -178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.411 ' OE2' ' HB2' ' B' ' 71' ' ' LEU . 12.6 pt-20 -47.94 -34.97 9.89 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.51 0.195 . . . . 0.0 111.39 -178.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' 1366 ' ' CYS . . . -62.63 -44.77 95.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.969 0.414 . . . . 0.0 109.996 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . 0.446 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -64.48 -46.39 83.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.923 179.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.709 HG22 HD21 ' A' 1378 ' ' LEU . 54.7 m -53.93 -55.43 27.01 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.525 178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 2.7 t30 -59.45 -26.73 65.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.947 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.551 ' HA ' ' HB2' ' A' 1380 ' ' SER . 51.0 t80 -71.72 -28.08 63.44 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.12 179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . 0.443 HD11 ' HB3' ' A' 1358 ' ' GLU . 3.8 mm? -76.4 -55.99 5.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.202 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.709 HD21 HG22 ' A' 1374 ' ' THR . 0.0 OUTLIER -67.15 -45.33 77.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 112.252 -179.095 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.7 t70 -89.39 -67.73 0.82 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.551 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 11.7 m -68.49 -178.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 111.29 -179.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.297 -0.859 . . . . 0.0 111.115 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.839 0.352 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -129.48 171.1 12.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.996 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.85 150.85 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.894 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 89.9 m-85 -114.51 109.67 18.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.283 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 2.8 t -84.33 141.74 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.716 179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -118.58 104.92 11.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.806 0.336 . . . . 0.0 111.491 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.404 HG22 HD23 ' B' ' 69' ' ' LEU . 76.7 p -86.44 142.15 28.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.383 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.536 HD12 HD13 ' A' 1370 ' ' LEU . 3.3 mm? -66.95 -17.28 64.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.323 . . . . 0.0 110.724 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 81.7 p -71.49 -19.49 62.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.156 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.35 48.4 1.13 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.45 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -141.09 145.57 35.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 37.4 m -116.4 118.03 31.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.787 179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 44.7 mm -99.52 145.35 10.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.352 -179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 50.0 m -127.16 112.75 15.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.366 179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -126.16 144.24 50.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.972 0.415 . . . . 0.0 111.421 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -99.38 122.89 43.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.798 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.2 m -135.7 176.13 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.326 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -106.75 173.6 6.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.858 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -72.75 -17.01 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.856 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 81.0 p -106.09 10.11 32.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.01 144.07 54.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.767 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.3 p -91.89 151.14 20.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.332 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.443 HG22 ' HE3' ' B' ' 27' ' ' LYS . 49.4 mm -58.25 -48.6 84.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.341 -179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.436 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 19.8 t70 -56.69 -39.91 74.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.225 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -57.7 -42.87 84.62 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.972 0.415 . . . . 0.0 110.481 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 40.5 t -57.72 -39.28 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.201 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.454 ' HB3' ' NE2' ' B' ' 41' ' ' GLN . 32.3 mmtp -57.4 -46.25 83.66 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.112 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 63.4 m -58.5 -43.96 89.25 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.45 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -56.92 -43.14 81.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 77.0 mt -67.22 -39.45 83.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.287 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.71 -28.74 67.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.448 -179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.05 -3.76 53.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.352 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -102.85 -67.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.057 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.67 -67.95 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.883 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.38 6.91 0.23 Allowed Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.457 -0.878 . . . . 0.0 113.091 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.486 HG22 ' HB3' ' B' ' 41' ' ' GLN . 2.7 mp -63.48 131.5 94.85 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.916 0.358 . . . . 0.0 110.36 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.517 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 50.0 Cg_exo -53.09 147.4 34.42 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.242 1.962 . . . . 0.0 112.176 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.688 ' HA ' HE21 ' B' ' 41' ' ' GLN . 86.6 Cg_endo -83.21 -45.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.637 2.225 . . . . 0.0 113.15 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -74.5 0.73 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.671 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.517 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 27.8 mm-40 -113.81 -48.19 2.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.373 . . . . 0.0 110.994 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.688 HE21 ' HA ' ' B' ' 38' ' ' PRO . 29.9 pt20 -57.51 145.07 34.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.022 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.609 HH21 ' HG2' ' B' ' 49' ' ' GLN . 78.7 mtp180 -142.64 126.22 16.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.995 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' B' ' 50' ' ' LEU . 2.5 mp -82.6 138.17 34.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.313 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.479 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 70.7 mt -137.13 127.63 39.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.447 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -127.84 129.6 47.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 62.13 14.68 6.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.448 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.71 18.24 45.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.749 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -122.79 145.17 48.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.74 0.305 . . . . 0.0 110.791 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.609 ' HG2' HH21 ' B' ' 42' ' ' ARG . 8.0 tp-100 -81.61 129.22 34.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' B' ' 43' ' ' LEU . 18.3 mt -89.36 103.21 15.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.655 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -63.79 140.93 58.92 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.828 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 16.0 m-20 -71.93 138.58 48.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 114.35 -36.33 4.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.358 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -83.81 173.34 11.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.742 0.306 . . . . 0.0 110.835 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 49.5 p -99.42 -179.41 4.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.473 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' B' ' 61' ' ' ILE . 46.4 mt -76.95 -20.33 56.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 82.2 p -72.4 -21.56 61.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.285 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -66.38 -15.07 63.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.376 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.418 ' HB2' HG13 ' B' ' 61' ' ' ILE . 88.0 m-85 -123.97 19.24 9.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.448 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 16.9 m120 58.44 18.56 5.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.366 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' B' ' 56' ' ' LEU . 78.2 mt -55.52 118.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 111.142 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -92.53 -170.27 2.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -78.48 145.94 34.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.928 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 56.97 22.86 7.65 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.013 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 80.1 p -59.28 163.84 3.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 17.6 m -112.49 111.48 22.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.38 173.75 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.808 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.479 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 90.1 m-70 -128.31 152.21 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' B' ' 41' ' ' GLN . 15.0 tp -123.42 116.26 22.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.056 -179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' B' ' 42' ' ' ARG . 6.4 m -126.18 142.1 43.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 111.275 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.449 ' O ' HD23 ' B' ' 73' ' ' LEU . 3.6 mm? -81.49 150.55 28.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.516 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -63.04 -41.67 99.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.695 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.449 HD23 ' O ' ' B' ' 71' ' ' LEU . 0.3 OUTLIER 46.64 -164.71 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.738 179.571 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -73.2 122.59 22.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.761 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -156.85 -110.0 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.471 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.565 -179.912 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.775 0.321 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 5.0 t -101.23 143.32 26.37 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.034 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.65 -47.35 5.52 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.577 2.184 . . . . 0.0 112.667 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 37.9 mtmm -46.4 -42.08 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.721 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 70.1 m -75.72 -35.86 60.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.385 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 91.6 mt -63.85 -34.03 77.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.341 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -66.28 -46.21 77.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.786 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 48.6 t -57.21 -40.79 75.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.601 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -65.93 -44.41 85.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.21 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -61.5 -28.55 69.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.493 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.507 ' HB3' ' HE1' ' A' 1354 ' ' PHE . 38.5 mt -88.12 -22.64 23.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.211 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 44.9 t -66.68 -25.95 66.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.931 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -88.55 -13.14 63.63 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.502 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 75.3 mmm -64.86 -62.79 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.734 0.302 . . . . 0.0 110.641 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 170.23 23.35 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.675 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . 0.507 ' HE1' ' HB3' ' A' 1349 ' ' LEU . 0.2 OUTLIER -148.44 151.6 35.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.867 0.365 . . . . 0.0 111.182 179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 77.4 p -61.54 171.13 1.59 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.491 -179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -68.0 -17.25 64.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.085 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.23 -58.45 3.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.87 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.39 -38.7 59.57 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.547 179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . 0.432 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -69.34 -42.01 75.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.705 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -54.61 -49.9 69.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.05 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -66.33 -48.38 70.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.058 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -51.57 -57.65 8.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.236 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' 1368 ' ' TRP . 3.9 mt -59.16 -60.44 3.86 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.65 -179.438 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -45.7 -65.57 0.52 Allowed 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.756 -176.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 27.8 tptp -51.26 -53.02 39.55 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.942 0.776 . . . . 0.0 111.841 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.698 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 98.9 m -62.28 -7.74 4.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.928 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' 1366 ' ' CYS . 67.8 m-20 94.11 54.57 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.256 0.973 . . . . 0.0 109.582 179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.527 ' N ' ' O ' ' A' 1363 ' ' LEU . 93.5 m95 36.68 85.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.546 -1.206 . . . . 0.0 112.206 -178.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.538 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 18.3 t70 -156.76 136.64 12.55 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.225 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . 0.702 HD13 ' HB3' ' B' ' 8' ' ' LEU . 14.4 mt -58.99 -76.57 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.488 ' HG3' HG13 ' B' ' 70' ' ' VAL . 0.4 OUTLIER -41.92 -49.24 4.56 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.698 ' HB1' ' HB3' ' A' 1366 ' ' CYS . . . -59.82 -38.33 81.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.181 -179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -68.75 -56.03 9.39 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.14 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.516 HG22 HD11 ' A' 1378 ' ' LEU . 4.4 m -55.37 -36.51 66.42 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.48 -31.38 72.09 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.685 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.69 ' HA ' ' HB2' ' A' 1380 ' ' SER . 73.4 t80 -63.61 -45.17 91.55 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.268 0.556 . . . . 0.0 109.872 179.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 28.9 mt -76.89 -20.5 56.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.299 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.516 HD11 HG22 ' A' 1374 ' ' THR . 48.2 mt -95.14 -65.41 0.98 Allowed 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 25.5 t70 -86.18 -59.22 2.35 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.69 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 5.4 t -36.82 -55.73 0.88 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.845 0.355 . . . . 0.0 111.438 -178.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.283 -0.865 . . . . 0.0 111.027 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.472 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 3.9 ppp? . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.033 0.444 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -117.46 165.64 13.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.442 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.1 pt -138.52 138.81 42.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.591 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -102.45 100.39 10.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 111.126 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.525 HG22 HD11 ' B' ' 43' ' ' LEU . 50.3 t -86.29 110.96 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.781 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -101.13 134.9 43.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.97 0.414 . . . . 0.0 111.137 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.526 HG22 ' HB3' ' B' ' 69' ' ' LEU . 66.1 p -102.81 142.04 34.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.209 179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.702 ' HB3' HD13 ' A' 1370 ' ' LEU . 93.7 mt -70.12 2.36 3.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.828 0.347 . . . . 0.0 111.03 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 77.5 p -90.71 -10.12 44.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.858 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.7 49.17 1.69 Allowed Glycine 0 C--N 1.332 0.308 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.481 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -144.85 138.17 26.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 111.013 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 16.1 m -107.05 138.22 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 78.5 mt -127.79 141.23 46.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.371 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -126.9 121.16 30.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.397 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.576 HD11 ' HE3' ' B' ' 29' ' ' LYS . 26.0 tp -124.98 143.74 50.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.079 0.466 . . . . 0.0 111.733 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -103.01 108.92 20.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.756 179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.1 m -130.6 161.69 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.044 0.45 . . . . 0.0 111.898 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -88.08 169.18 12.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.6 p -75.6 -1.86 26.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.802 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 52.4 m -111.37 -3.2 15.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.959 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -69.2 142.0 54.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.674 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.519 ' H ' HD22 ' B' ' 25' ' ' ASN . 63.1 p -94.03 164.68 12.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.378 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.457 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 39.6 mm -63.32 -38.56 82.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.752 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' B' ' 52' ' ' ASP . 14.4 t70 -59.77 -33.97 72.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.664 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.519 HD22 ' H ' ' B' ' 22' ' ' THR . 93.9 m-20 -67.85 -36.31 80.09 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.78 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 12.1 t -60.27 -53.93 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.154 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.55 ' HE2' HD23 ' B' ' 43' ' ' LEU . 1.9 mmtp -49.22 -47.82 45.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.558 -179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -63.49 -49.32 74.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.201 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.576 ' HE3' HD11 ' B' ' 15' ' ' LEU . 30.9 mtpp -56.91 -30.03 63.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.0 mt -78.02 -40.13 26.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.927 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -61.56 -36.48 80.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -83.62 -15.92 47.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -90.18 -68.36 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.918 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -86.8 -71.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.617 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.49 2.98 0.46 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 40.8 mm -62.48 127.27 89.76 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.455 0.128 . . . . 0.0 110.705 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.567 ' HB2' ' HB2' ' B' ' 40' ' ' GLN . 37.1 Cg_exo -56.83 127.66 26.75 Favored 'Trans proline' 0 C--N 1.35 0.619 0 C-N-CA 122.34 2.027 . . . . 0.0 112.19 -179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.525 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 37.0 Cg_endo -66.22 -40.47 15.12 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.539 2.159 . . . . 0.0 112.879 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -77.84 7.51 5.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.547 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.567 ' HB2' ' HB2' ' B' ' 37' ' ' PRO . 14.8 mm100 -126.66 -20.68 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.525 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.1 pt20 -95.26 143.23 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.898 0.38 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.478 ' HB3' HE22 ' B' ' 49' ' ' GLN . 81.5 mtt180 -134.88 122.39 21.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.781 179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.55 HD23 ' HE2' ' B' ' 27' ' ' LYS . 2.1 mm? -79.1 131.54 36.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.511 HD13 HD11 ' A' 1378 ' ' LEU . 23.3 mt -131.59 150.28 33.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.99 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.408 ' HB2' HD22 ' B' ' 67' ' ' LEU . 82.7 t80 -159.75 143.53 14.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.59 17.1 3.76 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.415 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.49 -20.12 39.94 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.381 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -93.7 141.56 28.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.478 HE22 ' HB3' ' B' ' 42' ' ' ARG . 54.5 tp60 -69.29 142.65 54.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.152 -179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.544 HD12 ' HB3' ' B' ' 43' ' ' LEU . 74.1 mt -100.53 95.3 6.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.467 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.05 158.4 31.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.039 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' B' ' 24' ' ' ASP . 5.1 p-10 -87.39 150.37 23.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.787 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 106.47 -50.43 0.81 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.342 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.406 ' HA ' ' NE ' ' B' ' 54' ' ' ARG . 4.1 mmp_? -71.1 160.9 32.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.75 0.309 . . . . 0.0 110.818 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.0 p -83.33 -174.89 5.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.013 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.456 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 24.2 mt -85.18 -10.03 57.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.006 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -81.09 -25.83 36.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.247 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -72.57 -5.93 40.59 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.101 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.4 m-85 -127.68 9.54 6.49 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.291 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 56.02 32.27 19.62 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.368 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.456 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 29.2 mm -59.51 110.11 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -78.64 175.93 9.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.013 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.472 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 28.2 mmtp -75.75 140.15 42.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.74 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 59.33 20.5 8.72 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 120.917 0.389 . . . . 0.0 110.707 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 95.9 p -59.0 134.27 56.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.041 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 45.8 m -85.06 97.04 9.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.736 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.465 ' O ' ' HG2' ' B' ' 6' ' ' LYS . 47.6 mt -82.71 175.64 9.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.694 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 44.1 m-70 -127.75 158.48 37.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.882 0.372 . . . . 0.0 111.088 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.526 ' HB3' HG22 ' B' ' 7' ' ' THR . 6.2 tt -132.57 113.06 12.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.43 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.488 HG13 ' HG3' ' A' 1371 ' ' GLU . 57.9 t -122.83 150.67 26.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.181 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.428 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 16.8 tp -66.71 158.32 30.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.976 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.466 ' HG3' HH21 ' B' ' 42' ' ' ARG . 64.3 ttt180 -88.03 -34.6 17.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.2 mt 64.5 174.55 0.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -92.76 150.63 20.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 159.41 -22.77 0.29 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.474 179.91 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 2.6 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 121.031 0.444 . . . . 0.0 111.41 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.629 HG23 ' HB3' ' A' 1343 ' ' SER . 0.1 OUTLIER -54.21 147.3 27.25 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.759 179.317 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.79 -41.92 0.65 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.508 2.138 . . . . 0.0 113.015 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . 0.405 ' HB2' ' NZ ' ' A' 1342 ' ' LYS . 10.3 mtmp? -55.77 -40.16 72.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.018 -179.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . 0.629 ' HB3' HG23 ' A' 1340 ' ' THR . 26.6 t -84.2 -40.22 18.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.245 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 54.3 tp -55.26 -41.3 72.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.358 -179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -64.59 -50.69 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.794 0.33 . . . . 0.0 110.804 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 61.0 t -58.47 -34.11 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -69.63 -45.01 69.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.805 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -65.24 -32.9 74.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.442 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.426 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 83.3 mt -76.42 -16.1 59.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.267 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 48.1 t -74.12 -21.46 59.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.852 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -91.56 0.5 74.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.235 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 92.0 mmm -80.83 -58.09 3.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.834 0.349 . . . . 0.0 110.825 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 165.44 16.43 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.734 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . 0.426 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.2 OUTLIER -141.16 147.76 38.92 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 111.071 179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 67.6 p -58.71 168.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.707 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -67.07 -26.62 66.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.713 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -62.55 -59.96 4.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.748 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -54.58 -41.2 69.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.067 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.27 -32.05 72.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -65.26 -52.73 52.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.828 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -62.14 -45.99 90.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.965 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.47 -50.93 64.28 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.156 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' 1368 ' ' TRP . 1.0 OUTLIER -60.21 -60.05 4.43 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.499 -179.462 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -45.44 -64.56 0.7 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.317 -178.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 2.8 tmtp? -51.37 -53.57 35.05 Favored 'General case' 0 N--CA 1.462 0.16 0 O-C-N 123.807 0.692 . . . . 0.0 111.421 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.519 ' O ' ' HB2' ' A' 1367 ' ' ASN . 89.6 m -60.3 -8.5 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.539 -0.301 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.519 ' HB2' ' O ' ' A' 1366 ' ' CYS . 16.9 m120 94.85 52.82 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.306 1.004 . . . . 0.0 109.351 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' 1363 ' ' LEU . 79.4 m95 42.48 37.35 0.95 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.594 -1.184 . . . . 0.0 111.77 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.451 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 13.1 m-20 -98.09 136.99 37.55 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.364 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . 0.47 ' HG ' HD21 ' B' ' 8' ' ' LEU . 18.3 tp -71.83 -65.79 0.72 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.422 ' OE1' ' HB3' ' A' 1369 ' ' ASP . 0.1 OUTLIER -52.67 -37.71 59.2 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.692 0.282 . . . . 0.0 111.12 -179.592 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -66.22 -36.07 82.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.027 0.441 . . . . 0.0 110.436 179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . 0.495 ' HB2' ' HG ' ' A' 1363 ' ' LEU . . . -64.77 -50.91 64.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.268 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.543 HG21 HG21 ' B' ' 70' ' ' VAL . 25.8 m -57.31 -46.35 83.28 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.665 ' HA ' HD12 ' A' 1378 ' ' LEU . 4.4 t30 -61.51 -28.11 69.07 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.097 179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' A' 1373 ' ' ALA . 36.0 t80 -66.06 -51.7 55.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.057 179.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.69 -21.71 65.95 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' 1375 ' ' ASN . 59.8 mt -80.16 -60.66 2.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.274 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.8 t70 -92.14 -66.46 0.92 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.511 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 51.6 m -48.51 111.17 0.42 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.332 -179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.037 -179.913 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptm . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 121.0 0.429 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -100.2 149.21 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.929 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 pt -134.07 156.27 40.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.925 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -122.1 103.28 8.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.959 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -77.32 141.96 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.961 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.437 ' NZ ' ' HB2' ' B' ' 6' ' ' LYS . 3.9 ttmp? -127.57 96.64 4.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.156 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.582 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 40.4 p -61.27 144.07 54.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.64 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.47 HD21 ' HG ' ' A' 1370 ' ' LEU . 12.7 tp -71.37 -0.66 10.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.223 -179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.1 m -89.95 -34.03 16.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.743 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 126.38 47.82 0.2 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.59 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -143.34 145.78 32.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 84.1 m -113.92 142.66 45.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 53.6 mt -134.23 144.83 34.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.003 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 58.7 m -113.59 123.87 50.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.9 tp -128.19 148.22 50.6 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.993 0.425 . . . . 0.0 111.378 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -109.55 99.05 8.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.013 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -112.74 -175.06 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.301 -179.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -130.32 159.47 36.86 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.91 0.386 . . . . 0.0 110.981 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.4 m -68.65 -13.65 62.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.783 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -92.05 -17.91 24.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.737 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.87 136.87 43.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.928 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 81.9 p -77.37 -177.28 4.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.298 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.9 mm -75.28 -50.19 25.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.161 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.423 ' HB3' ' HB2' ' B' ' 52' ' ' ASP . 4.5 p30 -56.84 -38.71 73.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.971 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -56.49 -44.35 80.59 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.552 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.99 -37.47 77.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.58 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.557 ' HE2' ' HB2' ' B' ' 43' ' ' LEU . 32.0 mmtp -57.68 -42.3 83.32 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.6 t -65.47 -47.43 76.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.436 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -54.95 -35.77 64.6 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.609 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.7 mt -72.31 -39.74 64.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.309 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -58.98 -35.09 72.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.359 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -89.69 -13.46 36.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.82 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -84.9 -67.88 0.77 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.728 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -91.56 -61.63 1.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.819 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.0 4.04 1.17 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 121.063 -0.589 . . . . 0.0 112.165 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 28.9 mm -69.08 120.91 79.67 Favored Pre-proline 0 C--N 1.329 -0.318 0 N-CA-C 110.789 -0.078 . . . . 0.0 110.789 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.3 Cg_exo -53.85 146.99 43.41 Favored 'Trans proline' 0 C--N 1.35 0.642 0 C-N-CA 122.452 2.102 . . . . 0.0 112.717 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.525 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 21.5 Cg_exo -65.56 -45.11 7.32 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.613 2.208 . . . . 0.0 112.389 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -75.71 9.04 2.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.078 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.581 ' O ' ' HA ' ' B' ' 71' ' ' LEU . 33.4 tt0 -126.31 -18.41 4.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.677 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.588 ' HB2' HD21 ' B' ' 69' ' ' LEU . 12.1 pt20 -99.77 136.37 39.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.028 0.442 . . . . 0.0 111.811 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.476 ' HG3' ' HA ' ' B' ' 72' ' ' ARG . 1.3 mmp_? -130.5 131.11 44.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.245 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.557 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 3.7 mp -93.24 124.08 36.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.798 0.332 . . . . 0.0 111.574 -179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.473 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 67.7 mt -125.1 139.51 50.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.8 179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -142.13 131.13 23.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.991 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.78 14.27 2.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.349 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.61 30.07 14.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.243 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -131.34 133.11 44.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.823 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.539 ' HB2' HD22 ' A' 1378 ' ' LEU . 24.5 tp60 -77.51 113.97 15.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' B' ' 43' ' ' LEU . 76.2 mt -76.23 102.97 6.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.793 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -67.31 151.15 48.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.423 ' HB2' ' HB3' ' B' ' 24' ' ' ASP . 5.1 p-10 -78.53 149.81 33.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.75 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.35 -43.85 1.62 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.53 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 -81.1 178.85 8.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.841 0.353 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.3 p -103.68 -174.29 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.438 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 53.2 mt -76.92 -33.8 57.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 81.1 p -69.4 -23.25 63.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.9 -18.91 65.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.932 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -123.59 4.81 8.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.3 m-80 59.01 92.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.233 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 63.6 mt -124.26 109.86 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.763 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -67.64 -174.71 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -84.37 148.04 26.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.42 19.88 6.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.263 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 74.6 m -59.4 150.3 26.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.786 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.9 m -101.16 104.45 15.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mp -90.21 172.62 8.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.667 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.473 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.0 m-70 -127.86 144.19 51.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.014 0.435 . . . . 0.0 111.319 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.588 HD21 ' HB2' ' B' ' 41' ' ' GLN . 0.3 OUTLIER -112.35 109.21 18.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.266 179.752 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.543 HG21 HG21 ' A' 1374 ' ' THR . 38.5 t -120.73 154.05 24.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 0.0 110.971 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.581 ' HA ' ' O ' ' B' ' 40' ' ' GLN . 1.3 tt -67.04 135.73 54.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.787 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.544 ' N ' HD23 ' B' ' 71' ' ' LEU . 45.9 ttp180 -47.74 -43.15 26.83 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.674 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.527 ' H ' HD22 ' B' ' 71' ' ' LEU . 19.5 tp 64.04 164.48 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.058 179.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -93.08 -51.28 5.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.68 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 132.6 -43.45 1.28 Allowed Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.561 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.453 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 46.9 p . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.869 0.366 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 4.9 t -90.88 143.14 28.27 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.041 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -74.59 -22.5 15.71 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.584 2.189 . . . . 0.0 112.602 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -66.85 -38.74 86.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.046 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 48.0 t -80.09 -36.35 35.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.692 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 19.0 mt -61.0 -34.41 74.76 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.176 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.77 68.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.041 0.448 . . . . 0.0 110.405 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 39.9 t -68.06 -31.6 52.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.036 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.86 -41.92 61.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.244 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.17 -37.4 80.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.433 ' HB3' ' HE1' ' A' 1354 ' ' PHE . 75.4 mt -74.0 -37.02 64.54 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.834 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.3 t -56.26 -29.6 61.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.27 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -90.4 35.01 3.94 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.677 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 82.6 mtp -121.25 -58.78 1.77 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.74 0.305 . . . . 0.0 110.972 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 178.19 16.92 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.733 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . 0.433 ' HE1' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -145.74 147.83 32.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.812 0.339 . . . . 0.0 111.051 179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 70.3 p -63.06 169.68 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.49 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.66 -22.61 66.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.784 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -71.19 -53.02 15.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.667 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -58.67 -38.0 77.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.488 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.47 83.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.969 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -58.82 -49.98 75.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.102 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -63.22 -45.99 89.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.18 -54.69 36.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.256 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' 1369 ' ' ASP . 6.0 mt -59.27 -59.63 5.15 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.53 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -45.48 -64.88 0.63 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.332 -177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 62.5 tttp -50.8 -54.32 24.56 Favored 'General case' 0 N--CA 1.463 0.196 0 O-C-N 123.911 0.757 . . . . 0.0 111.636 -179.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.521 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 87.2 m -58.7 -10.26 2.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' 1366 ' ' CYS . 71.4 m-20 94.42 53.87 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.466 0 O-C-N 124.298 0.999 . . . . 0.0 109.308 179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.462 ' N ' ' O ' ' A' 1363 ' ' LEU . 75.9 m95 39.18 82.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.726 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.615 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 16.4 t70 -153.87 134.25 13.45 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.189 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . 0.477 HD22 HD12 ' B' ' 8' ' ' LEU . 13.1 mt -62.35 -73.98 0.1 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -178.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.448 ' HG3' HD11 ' B' ' 73' ' ' LEU . 15.9 pt-20 -48.71 -34.92 12.91 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.536 0.208 . . . . 0.0 111.409 -178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.615 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -69.73 -39.91 76.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.892 0.377 . . . . 0.0 110.534 179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -64.14 -49.96 70.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.67 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.642 HG21 HG21 ' B' ' 70' ' ' VAL . 26.1 m -62.25 -50.44 71.72 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.354 -0.384 . . . . 0.0 109.978 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.676 ' HA ' HD12 ' A' 1378 ' ' LEU . 3.4 t30 -53.81 -32.79 54.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.32 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.519 ' O ' ' HB3' ' A' 1380 ' ' SER . 91.3 t80 -74.49 -56.43 4.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.763 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 79.6 mt -50.97 -26.1 5.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.067 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' 1375 ' ' ASN . 45.3 mt -70.39 -56.09 7.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.312 179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 19.6 t70 -94.1 -67.43 0.86 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.378 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.519 ' HB3' ' O ' ' A' 1376 ' ' PHE . 24.9 p 39.81 89.58 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.885 -179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.251 -0.881 . . . . 0.0 111.118 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptm . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.856 0.36 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -138.13 156.03 48.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.683 ' HB ' HD23 ' B' ' 67' ' ' LEU . 36.4 pt -135.35 156.12 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -116.63 94.55 4.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.269 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.548 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 77.5 t -65.03 147.35 12.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.941 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -127.63 110.2 12.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.498 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 58.4 p -87.85 146.23 25.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.014 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.646 HD21 HG22 ' B' ' 70' ' ' VAL . 3.3 mm? -62.89 -20.94 65.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.808 0.337 . . . . 0.0 111.01 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 39.5 m -67.02 -23.72 65.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.716 179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 107.04 52.65 0.73 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.899 -0.667 . . . . 0.0 112.4 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.404 ' HE3' ' OE1' ' B' ' 34' ' ' GLU . 56.8 tttm -138.81 144.94 39.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 110.967 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -117.69 100.96 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.562 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.548 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 72.1 mt -85.76 133.27 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.409 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 40.5 m -107.75 113.02 25.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.47 179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 46.0 tp -120.25 150.85 40.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.168 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -116.7 114.51 24.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.777 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.6 -170.25 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.052 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -119.96 167.19 12.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -72.34 -17.74 61.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 47.8 t -92.5 -12.56 31.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.053 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -61.26 150.47 34.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.801 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 21.3 p -90.79 171.99 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.43 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -71.42 -58.23 5.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.536 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -51.26 -37.94 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.6 t-20 -55.66 -45.85 77.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.163 179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.484 HG11 HD21 ' B' ' 43' ' ' LEU . 60.2 t -59.82 -43.96 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.475 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -52.71 -43.22 65.52 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.631 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 50.5 m -64.75 -48.29 75.09 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.758 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -56.35 -31.88 64.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.737 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.4 mt -76.02 -37.51 33.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.502 179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -61.03 -40.14 92.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.602 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -81.98 -16.62 49.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -79.78 -37.35 35.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.571 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.404 ' OE1' ' HE3' ' B' ' 11' ' ' LYS . 58.4 mm-40 -130.71 -68.72 0.67 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.42 4.57 0.3 Allowed Glycine 0 C--N 1.33 0.238 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.863 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 31.4 mm -61.67 129.4 91.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.781 0.29 . . . . 0.0 110.632 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.451 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 12.1 Cg_endo -55.46 129.22 33.98 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.673 2.248 . . . . 0.0 112.428 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.521 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 8.1 Cg_exo -73.21 -31.04 9.86 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.82 2.347 . . . . 0.0 112.552 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -78.31 0.94 23.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.319 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -123.45 -43.77 2.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.248 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.521 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 12.5 pt20 -66.6 157.81 31.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.609 -179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -149.52 145.4 26.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.422 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.484 HD21 HG11 ' B' ' 26' ' ' VAL . 2.1 mp -94.94 130.26 41.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.346 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.581 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 4.7 mp -124.58 139.45 50.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.557 179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.429 ' HE1' ' HB2' ' B' ' 65' ' ' SER . 66.7 t80 -138.75 131.79 29.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.88 19.63 2.72 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.474 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.03 -30.84 9.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.594 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.6 tptp -90.92 122.05 33.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.544 ' HA ' ' HA ' ' B' ' 44' ' ' ILE . 4.1 pt20 -72.37 155.08 40.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.074 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.527 HD21 HD11 ' B' ' 61' ' ' ILE . 5.7 mp -106.32 124.09 49.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.863 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -80.04 140.28 36.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.44 159.7 9.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.813 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.57 -32.79 4.36 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.641 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.434 HH21 ' HB3' ' B' ' 58' ' ' ASP . 47.7 mtp180 -81.72 176.14 9.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.689 0.28 . . . . 0.0 110.874 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.2 m -105.77 155.33 19.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.163 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.542 ' HB3' HD12 ' B' ' 61' ' ' ILE . 54.3 mt -62.98 -14.88 53.03 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -81.26 -21.96 39.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.342 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.434 ' HB3' HH21 ' B' ' 54' ' ' ARG . 4.1 m-20 -73.25 -4.21 31.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.416 -179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -126.44 -3.92 6.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.486 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t30 57.46 96.58 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.758 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' B' ' 56' ' ' LEU . 56.5 mt -121.0 128.16 76.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.111 -179.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -80.11 178.14 8.46 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.404 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -84.61 146.06 27.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.711 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 56.19 21.49 5.29 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.903 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.429 ' HB2' ' HE1' ' B' ' 45' ' ' PHE . 91.9 p -63.93 -179.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.348 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.9 m -117.94 119.01 33.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.171 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.683 HD23 ' HB ' ' B' ' 3' ' ' ILE . 4.6 mm? -103.67 163.98 11.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.578 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.581 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 44.7 m-70 -129.04 125.29 36.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.933 0.397 . . . . 0.0 111.032 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' B' ' 41' ' ' GLN . 20.8 tp -104.21 106.02 16.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.507 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.646 HG22 HD21 ' B' ' 8' ' ' LEU . 8.4 t -120.36 147.11 24.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.647 -179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 82.1 mt -82.43 160.72 22.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -91.78 -36.18 13.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.968 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.448 HD11 ' HG3' ' A' 1371 ' ' GLU . 54.8 mt 64.84 160.29 0.11 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.308 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -149.78 117.03 6.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.812 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.44 -52.5 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.531 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.344 -1.254 . . . . 0.0 112.465 -179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 61.5 p . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 120.821 0.344 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.416 HG23 ' HB2' ' A' 1343 ' ' SER . 3.8 t -148.41 144.44 18.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -63.39 -48.38 6.11 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.548 2.165 . . . . 0.0 112.625 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 98.3 mttt -47.31 -46.1 24.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.663 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . 0.416 ' HB2' HG23 ' A' 1340 ' ' THR . 66.5 m -76.35 -34.54 58.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.119 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 18.4 mt -58.49 -43.27 88.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . 0.479 ' HA ' HD23 ' A' 1370 ' ' LEU . . . -61.17 -44.12 97.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.852 0.358 . . . . 0.0 110.834 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 36.3 t -62.82 -34.77 67.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.652 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -70.59 -42.91 70.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.466 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -29.06 69.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.389 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.488 HD12 ' HB1' ' A' 1359 ' ' ALA . 28.7 mt -80.6 -36.37 32.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.669 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 47.9 t -66.06 -11.42 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -106.15 11.01 44.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.676 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.1 mtp -96.9 -49.43 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.718 0.294 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 169.04 18.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.7 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . 0.412 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -145.79 174.96 10.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.884 0.373 . . . . 0.0 111.264 179.813 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 70.7 p -84.39 174.9 9.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.513 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -73.15 -23.16 60.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.932 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -66.7 -62.51 1.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.06 -31.28 40.68 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.432 179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . 0.488 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -72.85 -36.3 67.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.676 179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -64.06 -45.01 90.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -67.43 -52.66 36.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.09 -45.47 68.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.277 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.517 ' HA ' ' HB2' ' A' 1373 ' ' ALA . 17.3 mt -63.87 -59.62 4.3 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.555 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -45.87 -64.46 0.73 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.696 -178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . 0.407 ' C ' ' H ' ' A' 1367 ' ' ASN . 23.7 tptm -52.15 -52.54 51.18 Favored 'General case' 0 N--CA 1.463 0.185 0 O-C-N 124.0 0.812 . . . . 0.0 112.185 -178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.529 ' O ' ' HB2' ' A' 1367 ' ' ASN . 2.7 p -58.94 -9.57 1.94 Allowed 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.529 ' HB2' ' O ' ' A' 1366 ' ' CYS . 45.4 m-80 92.39 53.78 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.487 0 O-C-N 124.408 1.068 . . . . 0.0 109.654 178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.43 ' N ' ' O ' ' A' 1363 ' ' LEU . 82.2 m95 39.49 74.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.644 -1.162 . . . . 0.0 111.654 -178.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 13.5 m-20 -143.48 126.32 16.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.259 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . 0.554 HD12 HD13 ' B' ' 8' ' ' LEU . 2.4 tm? -49.76 -77.93 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.478 ' HG3' HD21 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -54.55 -44.65 73.08 Favored 'General case' 0 N--CA 1.464 0.23 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -178.361 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -56.74 -34.96 68.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.884 0.373 . . . . 0.0 110.938 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . 0.517 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -67.65 -41.04 84.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.626 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . . . . . . . . . 21.5 m -63.78 -54.49 34.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.051 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 1.6 t30 -55.69 -34.15 64.8 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.859 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.501 ' HA ' ' HB2' ' A' 1380 ' ' SER . 46.7 t80 -71.99 -35.58 69.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.646 -0.707 . . . . 0.0 109.777 179.161 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 16.0 tp -77.3 -19.65 56.11 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.473 HD22 ' HB2' ' B' ' 49' ' ' GLN . 50.8 mt -89.19 -64.05 1.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.772 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -81.07 -63.37 1.42 Allowed 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.319 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.501 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 4.1 m -60.64 -179.93 0.14 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.124 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.249 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.709 0.29 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -118.55 154.42 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.026 0.441 . . . . 0.0 111.458 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 pt -134.48 159.03 42.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -123.29 104.53 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.972 0.415 . . . . 0.0 111.411 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.481 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 53.4 t -95.26 130.0 44.61 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.584 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.141 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.494 ' HD3' ' ND1' ' B' ' 68' ' ' HIS . 13.4 ptmm? -110.83 133.65 53.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 111.801 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.404 HG22 ' CD2' ' B' ' 69' ' ' LEU . 73.1 p -85.1 155.16 21.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.01 179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.554 HD13 HD12 ' A' 1370 ' ' LEU . 87.1 mt -75.5 6.92 4.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.779 0.323 . . . . 0.0 111.071 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 64.4 m -103.43 -27.55 12.34 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.737 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 116.63 57.2 0.31 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -144.21 137.99 27.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.801 0.334 . . . . 0.0 111.036 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 59.1 m -93.61 143.53 26.22 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.313 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.481 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 71.8 mt -128.5 109.71 19.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.244 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 33.0 m -97.98 117.22 31.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.339 179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 47.2 tp -129.01 136.49 50.39 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.913 0.387 . . . . 0.0 111.777 -179.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -98.09 98.24 9.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.145 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -112.36 -169.88 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.735 -179.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -133.43 164.79 26.35 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.552 179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.6 p -75.9 5.57 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.311 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.9 m -106.53 -22.15 12.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -65.82 157.9 29.21 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.287 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 75.2 p -110.29 157.95 18.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.34 -40.53 57.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.093 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -56.63 -33.11 65.99 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.097 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.443 ' ND2' ' HE3' ' B' ' 29' ' ' LYS . 47.7 t30 -81.89 -29.16 32.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.813 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 98.9 t -61.87 -53.78 43.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.023 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.567 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 4.8 mptp? -52.89 -36.27 59.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.905 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.1 t -65.17 -49.9 68.02 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.509 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.443 ' HE3' ' ND2' ' B' ' 25' ' ' ASN . 98.8 mttt -56.57 -36.07 68.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.403 ' HB ' HE22 ' B' ' 41' ' ' GLN . 63.1 mt -70.28 -37.62 71.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.583 179.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.404 ' HB3' HE21 ' B' ' 31' ' ' GLN . 6.6 tt0 -59.88 -42.22 93.29 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.325 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.79 -6.64 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.456 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -92.3 -32.79 14.88 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.814 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -131.6 -69.41 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.799 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 156.1 -7.26 0.25 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.694 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mm -65.08 118.67 51.79 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 116.712 0.256 . . . . 0.0 110.739 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.486 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 52.6 Cg_exo -53.8 132.02 47.24 Favored 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 122.493 2.128 . . . . 0.0 112.284 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.567 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 31.2 Cg_exo -59.0 -39.21 82.81 Favored 'Trans proline' 0 C--N 1.35 0.653 0 C-N-CA 122.536 2.157 . . . . 0.0 112.42 -179.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -63.94 -10.88 23.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.263 0.554 . . . . 0.0 110.064 179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.668 ' HB3' ' HA ' ' B' ' 72' ' ' ARG . 23.5 mt-30 -109.55 -16.05 14.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.539 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.503 ' C ' ' HZ2' ' B' ' 27' ' ' LYS . 33.1 mt-30 -93.74 128.83 40.16 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.475 ' HD2' HD23 ' B' ' 71' ' ' LEU . 94.8 mtt180 -136.27 124.31 22.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.828 177.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.5 ' HG ' ' NZ ' ' B' ' 27' ' ' LYS . 30.9 mt -88.02 147.01 25.19 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.95 0.405 . . . . 0.0 111.879 -178.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.467 HD11 HG11 ' B' ' 70' ' ' VAL . 18.3 mt -134.78 128.48 50.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.749 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -132.16 139.29 48.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.745 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.78 14.56 6.3 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.418 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.38 -15.41 62.88 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.953 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 28.1 ttpp -104.15 138.51 40.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.809 0.337 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.473 ' HB2' HD22 ' A' 1378 ' ' LEU . 35.8 tt0 -70.97 151.8 44.28 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.047 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.466 ' N ' HD12 ' B' ' 50' ' ' LEU . 6.2 mp -103.74 122.64 45.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.931 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -79.99 176.86 9.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -101.15 14.34 32.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -111.81 10.72 27.61 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.85 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 -136.1 170.65 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 111.081 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.4 p -101.78 179.91 4.2 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.5 mt -72.17 -24.1 61.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.979 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 50.7 m -76.68 -21.99 54.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -70.26 -17.78 63.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.206 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.493 ' HB2' HG13 ' B' ' 61' ' ' ILE . 76.8 m-85 -110.44 5.13 21.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.059 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 56.57 26.98 11.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.311 179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.493 HG13 ' HB2' ' B' ' 59' ' ' TYR . 54.3 mt -57.77 120.34 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.97 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -75.61 179.74 5.17 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -82.26 147.59 28.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 57.06 19.9 5.06 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 46.9 t -61.71 168.87 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.812 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 55.3 m -123.97 107.81 11.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.481 ' HB3' HD22 ' B' ' 43' ' ' LEU . 9.1 mp -97.47 162.48 13.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.458 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.494 ' ND1' ' HD3' ' B' ' 6' ' ' LYS . 25.5 m-70 -112.51 144.64 41.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.066 0.46 . . . . 0.0 111.697 -179.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.404 ' CD2' HG22 ' B' ' 7' ' ' THR . 54.0 tp -95.9 138.67 33.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.06 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.553 HG22 ' H ' ' B' ' 71' ' ' LEU . 1.3 p -146.99 172.24 3.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.917 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.653 ' HB3' ' O ' ' B' ' 40' ' ' GLN . 0.2 OUTLIER 92.69 -131.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.282 0.989 . . . . 0.0 110.588 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.668 ' HA ' ' HB3' ' B' ' 40' ' ' GLN . 0.9 OUTLIER 62.85 43.11 7.22 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.007 -178.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.478 HD21 ' HG3' ' A' 1371 ' ' GLU . 96.8 mt -120.75 160.9 22.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -66.22 123.33 19.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.713 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.5 -0.76 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.585 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.497 -179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 57.3 p . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.86 0.362 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' 1344 ' ' LEU . 2.7 t -97.23 151.33 37.62 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.801 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.21 -76.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.637 2.224 . . . . 0.0 113.53 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 51.2 pttt -81.05 -43.24 19.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . 0.435 ' HB2' ' OG1' ' A' 1340 ' ' THR . 19.8 m -57.19 -16.22 7.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.687 0.279 . . . . 0.0 110.768 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' 1340 ' ' THR . 0.7 OUTLIER -60.19 -43.54 95.82 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.435 179.494 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -58.87 -42.29 89.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.915 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.9 t -61.4 -35.96 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.062 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -73.58 -37.55 65.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -67.84 -33.27 74.45 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.031 0.443 . . . . 0.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.462 HD12 HD11 ' A' 1363 ' ' LEU . 91.0 mt -76.43 -21.99 55.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.13 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 46.4 t -65.18 -30.41 71.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -90.12 42.07 2.95 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.424 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 82.3 mtp -133.11 -51.32 0.89 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.6 0.238 . . . . 0.0 111.092 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 162.73 15.81 0.03 OUTLIER Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.375 -0.917 . . . . 0.0 113.028 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -139.03 149.4 44.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.956 0.408 . . . . 0.0 111.245 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 66.7 p -68.57 170.9 8.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.328 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . 0.458 ' H ' ' CD ' ' A' 1356 ' ' GLU . 2.3 mp0 -67.76 -27.6 66.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -66.33 -61.35 2.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.689 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -53.66 -35.58 61.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.767 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -69.77 -39.2 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.633 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -60.84 -53.84 52.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.095 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . 0.432 ' O ' ' HD3' ' A' 1365 ' ' LYS . 47.4 m-80 -62.11 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.6 -54.86 41.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.345 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' 1368 ' ' TRP . 6.8 mt -57.98 -59.2 5.63 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.309 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -45.73 -64.59 0.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.283 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . 0.432 ' HD3' ' O ' ' A' 1361 ' ' ASN . 5.6 mptp? -49.7 -55.83 12.42 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.776 0.673 . . . . 0.0 111.751 -179.352 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.449 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 97.7 m -56.11 -13.0 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.656 179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.449 ' CB ' ' O ' ' A' 1366 ' ' CYS . 8.4 t30 96.38 52.11 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.353 1.033 . . . . 0.0 109.074 179.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' 1363 ' ' LEU . 83.0 m95 38.93 73.8 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 114.481 -1.236 . . . . 0.0 111.679 -178.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.491 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 22.1 m-20 -137.3 135.38 37.05 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.574 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.11 -77.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.533 ' HG2' HD11 ' B' ' 73' ' ' LEU . 0.1 OUTLIER -49.02 -39.05 25.46 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.813 -178.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.491 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -61.71 -42.64 99.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.893 0.377 . . . . 0.0 111.173 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . 0.419 ' HB2' HD23 ' A' 1363 ' ' LEU . . . -58.76 -52.63 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.853 179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.68 HG21 HG21 ' B' ' 70' ' ' VAL . 29.6 m -55.28 -43.34 74.63 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 179.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . . . . . . . . . 3.5 t30 -62.91 -27.4 69.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.116 179.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.411 ' O ' ' HB2' ' A' 1380 ' ' SER . 41.6 t80 -70.53 -40.11 73.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.948 179.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.3 mm? -72.71 -19.92 61.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.874 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.552 HD22 ' HB2' ' B' ' 49' ' ' GLN . 60.8 mt -86.88 -64.39 1.16 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.541 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -85.6 -61.49 1.75 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.643 -179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' 1376 ' ' PHE . 60.7 m -57.99 -10.87 2.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.481 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.329 -0.843 . . . . 0.0 111.17 179.879 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.446 ' HB3' ' HD2' ' B' ' 63' ' ' LYS . 25.5 ptm . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.774 0.321 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -111.3 149.94 30.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.9 pt -132.52 146.68 32.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.779 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' B' ' 13' ' ' ILE . 91.7 m-85 -114.42 106.21 14.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.238 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.565 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 48.3 t -75.45 144.69 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.628 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.5 tttp -130.7 100.97 5.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.436 -179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.466 ' HB ' HG22 ' B' ' 9' ' ' THR . 47.0 p -89.65 143.3 26.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.198 179.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.495 HD21 HG22 ' B' ' 70' ' ' VAL . 3.1 mm? -65.02 -19.73 66.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.669 0.271 . . . . 0.0 111.084 -179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.466 HG22 ' HB ' ' B' ' 7' ' ' THR . 5.9 t -72.02 -6.78 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.73 52.69 2.57 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.57 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -141.3 125.69 17.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.827 0.346 . . . . 0.0 110.662 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 80.2 m -105.77 130.69 53.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.583 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.565 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 21.9 mt -116.13 149.4 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 111.479 -179.499 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 66.1 m -126.62 112.75 15.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.439 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 51.1 tp -126.79 146.56 50.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.914 0.387 . . . . 0.0 111.382 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -111.12 106.24 15.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.16 -171.96 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.173 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -114.46 172.51 6.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.7 p -75.41 -15.2 60.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.022 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.9 m -93.3 -12.4 30.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.889 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.52 133.28 50.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.763 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.8 p -82.28 -173.75 4.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.2 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.436 HG22 ' HE3' ' B' ' 27' ' ' LYS . 36.7 mm -80.2 -50.22 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.649 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.28 -33.08 67.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.158 -179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -62.07 -40.61 96.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -63.31 -34.39 66.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.559 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.509 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 32.7 mmtp -60.1 -44.31 94.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.7 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.6 t -67.28 -48.23 68.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.748 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -53.49 -38.53 63.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.882 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.1 mt -75.68 -34.21 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.679 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -62.14 -34.35 76.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -79.42 -12.08 59.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -94.73 -66.3 0.92 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.807 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -91.07 -74.95 0.48 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.719 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.35 51.24 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.438 -0.887 . . . . 0.0 113.243 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.461 HG22 ' HB3' ' B' ' 41' ' ' GLN . 4.2 mp -98.55 130.68 27.47 Favored Pre-proline 0 CA--C 1.533 0.301 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.42 114.52 1.86 Allowed 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 122.523 2.148 . . . . 0.0 112.771 -179.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.546 ' HA ' HE21 ' B' ' 41' ' ' GLN . 35.9 Cg_exo -62.25 -19.95 68.51 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.71 2.274 . . . . 0.0 112.749 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -82.51 -1.86 51.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.632 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.672 HE21 HD23 ' B' ' 71' ' ' LEU . 22.2 mt-30 -129.45 -42.51 1.32 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.672 0.272 . . . . 0.0 111.618 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.557 ' HB2' HD21 ' B' ' 69' ' ' LEU . 28.4 pt20 -61.08 157.2 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.135 0.493 . . . . 0.0 111.749 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.615 HH21 ' HG2' ' B' ' 49' ' ' GLN . 12.0 ptm180 -161.51 142.9 11.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.249 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.509 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 69.6 mt -92.29 142.76 27.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.951 0.405 . . . . 0.0 111.85 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.562 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 5.0 mp -132.37 142.24 43.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.817 179.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -145.36 130.11 18.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.733 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.63 17.83 8.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.34 18.54 62.25 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.282 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -127.46 127.5 44.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.733 0.301 . . . . 0.0 110.829 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.615 ' HG2' HH21 ' B' ' 42' ' ' ARG . 7.4 tp-100 -61.92 139.82 58.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.047 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.407 HD12 ' HB3' ' B' ' 43' ' ' LEU . 66.6 mt -93.78 98.79 11.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.62 179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -60.48 136.61 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.46 146.68 52.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.26 -36.58 4.27 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.403 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -86.6 146.77 26.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.677 0.275 . . . . 0.0 110.735 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.8 p -74.07 -177.46 2.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 32.9 mt -81.94 -8.77 59.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.17 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 83.6 p -81.22 -22.17 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.169 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -72.87 -4.86 34.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.325 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.516 ' HB2' HG13 ' B' ' 61' ' ' ILE . 88.7 m-85 -129.58 14.49 5.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.231 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 56.77 22.57 7.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.498 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.516 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.7 mt -62.42 105.14 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.881 0.372 . . . . 0.0 110.789 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -79.97 -167.79 1.4 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.386 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.446 ' HD2' ' HB3' ' B' ' 1' ' ' MET . 20.6 mmtp -85.22 151.95 23.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.075 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 58.2 24.51 11.49 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.1 p -67.69 157.08 35.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.198 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 30.7 m -102.85 106.59 17.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.731 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.07 153.06 18.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.467 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.562 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.1 m-70 -114.7 127.87 56.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.173 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' B' ' 41' ' ' GLN . 2.9 tm? -110.03 111.53 22.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.759 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.68 HG21 HG21 ' A' 1374 ' ' THR . 4.3 t -124.56 156.55 32.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.657 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.672 HD23 HE21 ' B' ' 40' ' ' GLN . 8.8 mp -106.05 155.54 19.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.036 0.446 . . . . 0.0 111.378 -179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -81.73 -18.42 44.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.975 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.533 HD11 ' HG2' ' A' 1371 ' ' GLU . 52.0 mt 66.1 121.9 0.02 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.154 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.4 ttm180 -142.62 117.06 9.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.653 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 113.35 -34.64 4.94 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.38 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.461 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.827 0.346 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' 1341 ' ' PRO . 5.2 t -60.17 145.6 85.13 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.972 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' 1340 ' ' THR . 11.3 Cg_exo -70.96 -47.02 0.61 Allowed 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.815 2.343 . . . . 0.0 112.654 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -48.37 -31.36 6.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.96 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 47.8 t -81.44 -48.08 12.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.63 0.253 . . . . 0.0 111.306 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 85.7 mt -55.95 -28.83 58.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -68.93 -48.2 63.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . 0.433 HG13 ' HB3' ' A' 1359 ' ' ALA . 38.3 t -61.71 -33.39 57.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.189 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -72.33 -44.64 62.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -61.95 -37.15 83.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.761 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.476 HD12 ' HB1' ' A' 1359 ' ' ALA . 93.2 mt -74.75 -40.01 61.49 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.222 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 86.7 p -62.8 -15.31 53.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.152 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -101.0 11.8 58.89 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.638 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.3 mtp -99.9 -44.92 5.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.786 0.326 . . . . 0.0 110.974 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 168.83 -2.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.743 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -119.45 175.95 5.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.807 0.337 . . . . 0.0 111.097 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 41.2 p -89.71 174.99 7.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.328 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.98 -25.98 63.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.096 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -70.49 -52.49 21.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.803 0.335 . . . . 0.0 110.521 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -57.94 -32.48 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.25 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . 0.476 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -70.5 -47.51 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.859 179.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -57.81 -45.77 85.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 46.2 m-20 -65.94 -49.22 68.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.068 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.34 -53.35 55.07 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.369 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' 1369 ' ' ASP . 9.0 mt -57.33 -59.33 5.29 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -45.3 -64.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.005 -177.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -49.11 -55.78 11.17 Favored 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.956 0.785 . . . . 0.0 111.83 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.475 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 72.4 m -58.78 -10.16 2.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.684 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' 1366 ' ' CYS . 11.0 m120 93.25 53.26 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 124.257 0.973 . . . . 0.0 109.063 179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.471 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.0 m95 41.31 81.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.387 -1.279 . . . . 0.0 111.651 -178.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.662 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 18.0 t70 -148.06 132.91 18.03 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . 0.577 HD12 HD13 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -55.58 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 -178.664 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -49.69 -44.62 48.15 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.662 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -56.8 -39.23 73.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.816 0.341 . . . . 0.0 110.766 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -64.88 -47.06 79.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.506 ' HB ' HG21 ' B' ' 70' ' ' VAL . 90.6 m -62.57 -55.8 23.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.946 0.403 . . . . 0.0 110.327 179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.56 ' HA ' HD12 ' A' 1378 ' ' LEU . 3.6 t30 -51.55 -34.08 35.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.497 179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.514 ' O ' ' HB3' ' A' 1380 ' ' SER . 80.5 t80 -69.49 -61.7 1.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.75 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 76.8 mt -50.69 -32.72 20.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.445 -179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.6 HD22 HE21 ' B' ' 49' ' ' GLN . 82.6 mt -61.95 -54.6 39.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.826 0.346 . . . . 0.0 110.138 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 29.6 t70 -94.26 -68.13 0.82 Allowed 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.178 179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.514 ' HB3' ' O ' ' A' 1376 ' ' PHE . 19.7 p 38.75 33.67 0.08 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.006 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.147 -179.9 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.838 0.351 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.7 pt20 -134.98 154.11 51.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -129.94 170.41 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.031 179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -129.58 103.85 7.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.329 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.0 t -88.39 112.32 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.823 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -100.83 121.29 41.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.311 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.462 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 67.3 p -85.17 145.05 27.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.435 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.577 HD13 HD12 ' A' 1370 ' ' LEU . 94.5 mt -68.27 -5.21 17.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.118 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -83.27 -20.93 33.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.952 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.0 51.45 0.64 Allowed Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.635 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -144.06 145.0 31.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.784 0.326 . . . . 0.0 111.106 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 55.5 m -110.09 130.06 55.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.811 179.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -119.88 129.69 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.398 -179.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 31.4 m -109.34 112.84 25.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.672 179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.505 HD11 HG12 ' B' ' 30' ' ' ILE . 37.5 mt -116.42 171.43 7.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.138 -179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -129.3 117.75 21.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.629 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -123.48 -171.68 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.38 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -128.28 172.12 11.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 49.1 m -75.97 -0.01 20.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.25 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.1 m -123.5 -6.71 8.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.861 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -62.81 145.0 56.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 35.4 p -88.32 178.42 6.58 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.164 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.518 HD12 HD13 ' B' ' 50' ' ' LEU . 47.7 mm -79.98 -54.69 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.253 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -53.81 -33.94 57.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -58.52 -43.54 89.18 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.028 0.442 . . . . 0.0 109.831 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.8 t -60.28 -40.17 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.371 179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.59 ' HB3' HE21 ' B' ' 41' ' ' GLN . 31.2 mmtp -59.55 -39.61 84.55 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.017 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 48.2 t -65.56 -40.05 92.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.245 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -60.33 -40.71 91.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.457 179.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.505 HG12 HD11 ' B' ' 15' ' ' LEU . 66.3 mt -70.13 -34.81 60.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.798 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -68.59 -32.62 72.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.063 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -86.64 -23.25 25.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.525 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm -90.46 -60.96 1.78 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.682 0.277 . . . . 0.0 111.373 -179.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -89.88 -75.57 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.136 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.27 11.41 0.48 Allowed Glycine 0 CA--C 1.519 0.336 0 C-N-CA 120.4 -0.905 . . . . 0.0 113.361 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.499 ' N ' HD12 ' B' ' 36' ' ' ILE . 3.1 mp -69.06 134.26 89.66 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 117.093 0.447 . . . . 0.0 110.081 179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 9.5 Cg_endo -52.09 126.05 19.12 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.537 2.158 . . . . 0.0 112.355 -179.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.512 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 12.4 Cg_exo -70.76 -30.15 18.03 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.814 2.343 . . . . 0.0 112.683 -179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -80.59 -0.28 37.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.392 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -123.26 -35.55 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.513 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.59 HE21 ' HB3' ' B' ' 27' ' ' LYS . 14.1 pt20 -71.28 138.81 49.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.961 0.41 . . . . 0.0 111.298 -179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -138.91 133.36 31.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.443 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.555 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 77.7 mt -98.57 113.89 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.285 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.528 HD13 HD21 ' A' 1378 ' ' LEU . 16.8 mt -108.24 141.99 22.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-O 120.808 0.337 . . . . 0.0 110.804 179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -133.22 129.32 37.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.991 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.52 18.92 4.88 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.338 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.87 -20.95 48.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.518 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -97.12 116.15 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.731 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.638 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -61.76 155.62 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.975 -179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.518 HD13 HD12 ' B' ' 23' ' ' ILE . 55.7 mt -99.68 110.61 23.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -76.88 163.05 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.95 0.405 . . . . 0.0 111.503 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -82.87 147.01 28.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.686 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.53 -26.67 22.93 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.252 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.596 HH21 ' HB3' ' B' ' 58' ' ' ASP . 51.7 mtp180 -96.61 155.67 16.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.737 0.303 . . . . 0.0 110.695 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 65.0 p -93.25 -177.2 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.484 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 24.5 mt -77.62 -12.98 60.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.202 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 47.7 t -81.76 -25.23 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.247 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.596 ' HB3' HH21 ' B' ' 54' ' ' ARG . 15.0 m-20 -70.79 -16.72 62.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.331 -179.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -117.1 2.0 12.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.161 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 56.17 89.66 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -122.43 121.89 64.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.094 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -74.11 -172.52 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -88.84 145.8 25.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 61.13 21.73 12.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.078 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.4 m -58.75 170.07 0.87 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 62.3 m -119.16 109.44 15.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.343 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.536 ' HB3' HD22 ' B' ' 43' ' ' LEU . 3.7 mm? -92.65 150.02 20.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.685 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -102.15 129.72 48.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 111.193 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 0.9 OUTLIER -99.6 103.77 15.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.436 179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.506 HG21 ' HB ' ' A' 1374 ' ' THR . 9.3 p -117.13 148.92 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.9 tp -85.08 152.75 23.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.37 -179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -92.35 -12.18 33.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.493 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.7 mp 65.01 170.45 0.2 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.926 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.28 -2.5 5.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.038 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.04 -40.71 1.38 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.447 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.54 179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.762 0.315 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.436 ' O ' HD23 ' A' 1344 ' ' LEU . 2.9 t -128.76 137.34 30.74 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.16 -47.83 22.58 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 122.588 2.192 . . . . 0.0 112.414 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 95.7 mttt -47.18 -47.43 24.06 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.619 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . 0.425 ' HB3' HG23 ' A' 1340 ' ' THR . 47.3 t -77.06 -32.73 57.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.346 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' 1348 ' ' GLU . 2.2 mm? -59.53 -45.28 92.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.079 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.62 85.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.134 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.7 t -59.94 -39.76 81.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.258 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.82 -24.15 48.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' 1344 ' ' LEU . 0.6 OUTLIER -81.15 -26.53 36.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.478 HD11 HD21 ' A' 1363 ' ' LEU . 56.8 mt -85.34 -27.47 25.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 83.5 p -63.18 -11.81 23.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.05 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -109.04 28.83 10.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.636 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 91.0 mtp -118.42 -37.56 3.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.606 0.241 . . . . 0.0 111.087 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 158.47 13.01 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.491 -0.862 . . . . 0.0 112.892 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -140.71 171.6 13.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.789 0.328 . . . . 0.0 111.036 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 74.5 p -85.8 -179.13 6.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.459 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.9 -39.12 66.63 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -61.25 -55.3 33.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -56.27 -30.36 62.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.489 179.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -73.38 -42.14 62.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.883 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -59.69 -48.17 82.72 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.826 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -65.67 -47.59 75.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.686 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.6 -49.69 69.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.381 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.744 ' HA ' ' HB2' ' A' 1373 ' ' ALA . 11.6 mt -63.95 -59.79 4.06 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.516 -179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -45.5 -64.0 0.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.536 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -50.8 -53.48 31.6 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 124.106 0.879 . . . . 0.0 111.862 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.464 ' O ' ' HB2' ' A' 1367 ' ' ASN . 4.4 p -61.18 -7.58 2.85 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.792 -0.186 . . . . 0.0 110.601 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.464 ' HB2' ' O ' ' A' 1366 ' ' CYS . 13.1 m120 93.2 52.92 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.228 0.955 . . . . 0.0 109.572 179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.469 ' N ' ' O ' ' A' 1363 ' ' LEU . 76.5 m95 37.58 77.79 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.682 -1.145 . . . . 0.0 112.038 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.487 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 43.2 m-20 -152.49 136.05 16.05 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.244 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . 0.439 HD13 HD12 ' B' ' 8' ' ' LEU . 15.4 mt -60.46 -78.1 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.17 -40.43 15.86 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.554 ' HA ' ' OD1' ' A' 1375 ' ' ASN . . . -61.57 -50.72 71.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.095 0.474 . . . . 0.0 110.777 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . 0.744 ' HB2' ' HA ' ' A' 1363 ' ' LEU . . . -63.27 -30.68 71.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.458 ' O ' ' HG ' ' A' 1378 ' ' LEU . 36.9 m -71.64 -55.65 7.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.72 ' HA ' HD12 ' A' 1378 ' ' LEU . 0.4 OUTLIER -56.23 -30.45 62.38 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.489 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.483 ' O ' ' HB3' ' A' 1380 ' ' SER . 88.0 t80 -68.1 -57.5 5.98 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.808 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 60.7 mt -51.51 -34.61 36.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.72 HD12 ' HA ' ' A' 1375 ' ' ASN . 88.0 mt -57.01 -55.93 28.29 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 21.8 t70 -94.78 -68.28 0.81 Allowed 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.483 ' HB3' ' O ' ' A' 1376 ' ' PHE . 25.0 p 41.37 -158.74 0.01 OUTLIER 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.851 -179.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.266 -0.873 . . . . 0.0 111.015 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptm . . . . . 0 N--CA 1.485 1.286 0 CA-C-O 120.76 0.314 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' B' ' 16' ' ' GLU . 20.0 pt20 -125.83 146.99 49.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.557 ' HB ' HD23 ' B' ' 67' ' ' LEU . 47.6 pt -128.38 159.97 39.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.985 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -123.46 105.87 10.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.471 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 11.0 t -71.84 148.4 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.94 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -135.86 107.11 6.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.311 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.418 HG22 ' HB3' ' B' ' 69' ' ' LEU . 66.8 p -86.38 147.44 26.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.748 179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.439 HD12 HD13 ' A' 1370 ' ' LEU . 3.5 mm? -62.45 -21.93 65.81 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.721 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 34.5 p -67.9 -28.75 67.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.066 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.0 35.4 1.83 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -120.54 129.64 53.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.769 0.318 . . . . 0.0 110.744 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 81.7 m -105.32 127.79 53.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.471 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 28.4 mt -114.07 145.75 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 55.5 m -121.56 123.98 43.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.907 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -137.03 165.73 25.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.156 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' B' ' 2' ' ' GLN . 37.2 tt0 -123.72 105.82 10.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.245 179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 24.0 m -109.49 -170.78 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.441 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -115.57 169.87 8.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.727 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 44.2 t -75.23 -32.75 61.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 49.2 m -95.92 10.47 37.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.944 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -69.72 143.14 53.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 72.0 p -92.65 155.94 17.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.3 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.505 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 47.5 mm -62.33 -45.73 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.188 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -52.21 -36.17 51.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.757 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.556 HD21 ' HD2' ' B' ' 29' ' ' LYS . 5.9 t30 -70.32 -35.54 73.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.829 179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 46.7 t -57.89 -55.07 23.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.686 ' HG3' ' HG3' ' B' ' 41' ' ' GLN . 3.8 mptp? -55.07 -38.38 67.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.434 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 47.8 t -62.43 -49.91 73.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.846 0.355 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.556 ' HD2' HD21 ' B' ' 25' ' ' ASN . 61.8 mtpt -56.5 -46.24 80.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.074 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.48 -40.58 86.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.335 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.435 HE21 ' HB3' ' B' ' 31' ' ' GLN . 5.9 tt0 -62.45 -39.04 92.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.121 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -88.53 -6.64 57.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.581 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -106.45 -68.59 0.87 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.648 0.261 . . . . 0.0 111.585 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -78.31 -67.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.002 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 147.3 1.24 0.57 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.307 -0.949 . . . . 0.0 113.38 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.503 ' N ' HD12 ' B' ' 36' ' ' ILE . 4.0 mp -81.67 125.59 77.83 Favored Pre-proline 0 CA--C 1.533 0.291 0 CA-C-N 117.145 0.473 . . . . 0.0 110.583 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.43 ' HG2' ' NE2' ' B' ' 40' ' ' GLN . 32.2 Cg_exo -58.86 143.49 99.29 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.462 2.108 . . . . 0.0 112.554 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.551 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 11.6 Cg_exo -71.24 -43.76 1.4 Allowed 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.018 2.478 . . . . 0.0 112.644 -179.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -70.28 8.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.525 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.581 ' HB3' ' HA ' ' B' ' 72' ' ' ARG . 37.2 mt-30 -131.6 -20.1 2.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.273 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.686 ' HG3' ' HG3' ' B' ' 27' ' ' LYS . 29.0 pt20 -105.04 137.83 42.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.959 0.409 . . . . 0.0 111.84 -179.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.512 ' NE ' HD22 ' B' ' 71' ' ' LEU . 99.7 mtt180 -127.95 148.77 50.52 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.732 179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.683 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . 1.9 tp -97.72 132.59 43.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.044 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.568 HD11 HG11 ' B' ' 70' ' ' VAL . 71.3 mt -126.92 139.89 50.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 120.873 0.368 . . . . 0.0 111.334 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -142.77 131.14 22.2 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.465 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.32 14.37 7.79 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.263 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.57 18.5 54.79 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.661 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -126.31 138.31 53.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 110.835 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -75.02 128.01 34.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.792 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' B' ' 43' ' ' LEU . 37.6 mt -86.63 105.58 16.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.746 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.65 153.74 27.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.998 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.505 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 4.6 m-20 -84.93 4.22 34.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.094 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -96.8 -4.93 58.83 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -128.89 177.37 7.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.943 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 46.4 p -103.82 -177.51 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.193 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.412 ' HB3' HD12 ' B' ' 61' ' ' ILE . 62.5 mt -69.03 -36.26 77.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.118 -179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.3 m -66.81 -23.78 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.237 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -64.36 -27.89 69.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.215 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -110.76 2.62 18.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.056 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 59.66 96.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.278 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' B' ' 56' ' ' LEU . 74.7 mt -124.08 129.07 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -77.89 -177.83 5.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.981 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -89.66 146.32 24.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.756 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 60.45 22.18 11.82 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.861 0.363 . . . . 0.0 110.575 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.4 m -65.97 170.38 5.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.983 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 38.1 m -112.36 104.99 13.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.392 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.557 HD23 ' HB ' ' B' ' 3' ' ' ILE . 4.4 mm? -89.74 154.13 20.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.318 179.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.51 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 71.4 m-70 -115.11 141.6 47.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.996 0.426 . . . . 0.0 111.711 -179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' B' ' 41' ' ' GLN . 8.6 tp -104.31 104.78 14.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.693 179.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.585 HG22 ' H ' ' B' ' 71' ' ' LEU . 1.3 p -111.95 172.3 2.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.777 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.585 ' H ' HG22 ' B' ' 70' ' ' VAL . 11.8 tp 88.52 -140.63 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 O-C-N 124.114 0.884 . . . . 0.0 111.03 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.581 ' HA ' ' HB3' ' B' ' 40' ' ' GLN . 8.3 mmm180 73.07 54.72 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.326 -179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 72.5 mt -128.13 -179.12 4.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.374 -0.83 . . . . 0.0 110.924 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -129.74 136.76 50.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 131.72 73.62 0.11 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.474 -179.89 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 58.7 p . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.802 0.334 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.417 HG23 ' HB2' ' A' 1343 ' ' SER . 2.9 t -111.03 141.9 25.16 Favored Pre-proline 0 CA--C 1.531 0.228 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.257 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.31 -46.74 5.27 Favored 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.668 2.246 . . . . 0.0 112.398 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . 0.462 ' O ' HG23 ' A' 1346 ' ' VAL . 60.9 mttp -46.29 -45.94 17.68 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.399 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . 0.417 ' HB2' HG23 ' A' 1340 ' ' THR . 49.3 m -79.4 -31.68 42.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.155 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.5 -44.88 85.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -65.11 -42.3 94.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 110.755 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . 0.462 HG23 ' O ' ' A' 1342 ' ' LYS . 64.0 t -61.86 -36.88 76.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.086 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.8 -30.44 45.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.588 179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -74.85 -24.59 58.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.132 0.492 . . . . 0.0 110.096 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.423 HD12 HD11 ' A' 1363 ' ' LEU . 81.0 mt -87.4 -14.87 39.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 70.1 m -69.8 -33.5 72.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.677 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -78.09 -10.27 86.34 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.472 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 94.2 mmm -70.92 -62.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 168.85 14.92 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.65 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . 0.41 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -137.76 159.82 40.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.85 0.357 . . . . 0.0 111.094 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.0 p -72.83 178.57 4.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.678 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -73.61 -30.04 62.74 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.422 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.21 -55.96 20.65 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.836 0.35 . . . . 0.0 110.773 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . 0.456 ' HA ' ' ND2' ' A' 1361 ' ' ASN . 17.9 mm-40 -56.62 -37.3 70.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.444 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -72.31 -28.91 63.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.611 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -66.76 -53.46 32.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.978 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . 0.456 ' ND2' ' HA ' ' A' 1358 ' ' GLU . 4.3 p30 -66.28 -43.63 85.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 0.0 110.481 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -56.24 -52.05 65.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.314 179.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' 1369 ' ' ASP . 11.7 mt -61.63 -60.0 4.35 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.574 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -46.01 -64.9 0.63 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.868 -178.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -49.31 -56.13 10.51 Favored 'General case' 0 N--CA 1.463 0.188 0 O-C-N 124.019 0.825 . . . . 0.0 111.867 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.463 ' HB3' ' HB1' ' A' 1372 ' ' ALA . 76.5 m -54.27 -15.05 1.36 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.496 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.459 ' CB ' ' O ' ' A' 1366 ' ' CYS . 14.1 t-20 97.27 49.57 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 124.387 1.054 . . . . 0.0 109.179 179.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.422 ' N ' ' O ' ' A' 1363 ' ' LEU . 95.4 m95 41.62 78.92 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.619 -1.173 . . . . 0.0 111.222 -178.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.514 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 43.5 m-20 -145.18 137.23 25.7 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . 0.447 HD12 HD13 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -60.53 -73.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.966 -179.126 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.2 OUTLIER -49.45 -43.54 44.99 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -178.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.514 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -60.97 -40.53 93.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.828 0.347 . . . . 0.0 111.237 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -63.37 -55.09 27.31 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.713 HG21 HG21 ' B' ' 70' ' ' VAL . 26.9 m -54.83 -43.35 72.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.036 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.483 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.8 t30 -63.48 -29.99 71.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.043 179.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.478 ' HA ' ' HB2' ' A' 1380 ' ' SER . 38.5 t80 -68.32 -37.4 80.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.19 179.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' 1358 ' ' GLU . 4.6 mm? -74.79 -24.8 58.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.115 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' 1375 ' ' ASN . 38.3 mt -80.64 -63.02 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.448 -179.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.3 t70 -88.78 -64.99 1.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.416 -179.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.478 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 57.9 m -57.47 174.91 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.962 0.411 . . . . 0.0 111.315 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.326 -0.845 . . . . 0.0 111.16 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.528 ' HG2' ' HG3' ' B' ' 63' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.66 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -107.26 168.38 9.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.1 pt -143.36 141.69 25.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.924 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -108.96 93.16 4.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.045 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.476 HG22 ' HB2' ' B' ' 67' ' ' LEU . 70.8 t -90.86 104.78 15.74 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.006 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -89.06 143.47 26.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.427 HG22 HD23 ' B' ' 69' ' ' LEU . 70.7 p -103.76 159.34 15.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.552 HD11 HG13 ' B' ' 70' ' ' VAL . 92.0 mt -69.25 -15.45 63.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 76.6 p -77.65 -12.87 60.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.227 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.53 48.88 2.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.414 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -132.01 151.67 51.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.772 0.32 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 29.4 m -115.09 96.98 5.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.582 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.523 HD13 HG23 ' B' ' 30' ' ' ILE . 56.9 mt -85.28 110.15 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.136 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 74.5 m -99.6 121.79 41.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.29 172.86 11.66 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.133 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -127.86 112.47 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.39 -169.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.077 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -127.74 169.4 13.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.816 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 55.7 m -69.19 -24.29 64.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 57.9 m -97.54 10.08 40.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -78.55 152.8 31.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 75.9 p -107.75 163.43 13.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.43 HG22 ' HD3' ' B' ' 27' ' ' LYS . 44.9 mm -61.33 -47.34 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -50.47 -44.11 55.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.31 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -59.39 -45.97 89.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.836 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 85.4 t -55.32 -40.84 58.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.503 ' HE3' ' HB2' ' B' ' 43' ' ' LEU . 5.8 mmmm -61.51 -45.83 92.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.602 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 68.4 m -60.75 -42.61 97.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -58.81 -47.22 85.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.86 0.362 . . . . 0.0 110.524 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.523 HG23 HD13 ' B' ' 13' ' ' ILE . 59.5 mt -65.16 -30.96 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.562 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -73.93 -28.36 61.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.114 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -87.32 -22.25 25.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.056 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -87.89 -67.52 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.18 -69.96 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.635 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.14 3.57 0.88 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.569 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.421 HG22 ' HB3' ' B' ' 41' ' ' GLN . 32.0 mm -60.83 113.24 7.2 Favored Pre-proline 0 CA--C 1.533 0.295 0 O-C-N 122.982 -0.128 . . . . 0.0 110.8 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -50.51 155.14 5.46 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 122.558 2.172 . . . . 0.0 112.739 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.681 ' HA ' HE21 ' B' ' 41' ' ' GLN . 61.3 Cg_endo -72.69 -41.97 1.36 Allowed 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 122.694 2.262 . . . . 0.0 112.631 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' B' ' 72' ' ' ARG . 6.4 m-20 -72.37 9.04 1.12 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.199 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.546 ' HG3' ' HG ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER -126.12 -45.03 1.72 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.543 -179.517 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.745 ' HB2' HD11 ' B' ' 69' ' ' LEU . 29.8 pt20 -66.33 134.68 53.09 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.567 ' HD2' ' HA ' ' B' ' 72' ' ' ARG . 78.1 mtp180 -129.1 121.96 28.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.361 178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.503 ' HB2' ' HE3' ' B' ' 27' ' ' LYS . 6.3 tp -89.19 120.77 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.959 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 51.8 mt -127.35 143.49 40.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.419 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -149.87 128.33 12.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.759 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.22 22.65 12.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.22 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.85 -7.4 80.2 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.651 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -91.16 139.82 30.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.83 0.348 . . . . 0.0 111.058 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.24 107.43 15.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.514 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.423 ' HB2' ' HB3' ' B' ' 43' ' ' LEU . 85.8 mt -67.0 104.92 1.49 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -78.44 138.67 38.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 7.2 m-20 -75.27 113.61 12.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.801 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 151.63 -33.22 0.9 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 -103.99 169.1 8.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -83.02 175.35 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.457 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.416 ' HB3' HD12 ' B' ' 61' ' ' ILE . 40.8 mt -71.6 -31.54 67.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.034 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 48.1 t -68.25 -25.69 65.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.185 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -61.44 -33.75 74.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -105.58 8.63 33.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.81 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 59.01 91.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.248 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' B' ' 56' ' ' LEU . 64.7 mt -127.31 119.58 52.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.82 179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -75.27 -173.81 2.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.528 ' HG3' ' HG2' ' B' ' 1' ' ' MET . 4.8 mptp? -87.22 142.03 28.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 58.28 24.34 11.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 67.0 m -59.95 169.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.073 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 86.1 m -109.46 106.88 16.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.289 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.476 ' HB2' HG22 ' B' ' 5' ' ' VAL . 7.5 mp -101.39 168.35 9.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.25 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -127.94 153.22 46.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.935 0.398 . . . . 0.0 111.079 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.745 HD11 ' HB2' ' B' ' 41' ' ' GLN . 12.8 tp -122.86 114.3 20.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.188 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.713 HG21 HG21 ' A' 1374 ' ' THR . 44.7 t -117.65 155.4 19.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.971 0.415 . . . . 0.0 111.561 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.546 ' HG ' ' HG3' ' B' ' 40' ' ' GLN . 0.9 OUTLIER -89.49 135.99 33.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.862 179.188 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.567 ' HA ' ' HD2' ' B' ' 42' ' ' ARG . 25.1 mmm180 -50.78 -71.9 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.634 0.254 . . . . 0.0 110.471 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.0 tp -179.09 157.68 0.86 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.761 179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -113.16 13.76 19.34 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.833 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -165.92 85.69 0.1 Allowed Glycine 0 N--CA 1.452 -0.237 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.266 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.527 -179.915 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . 0.4 ' O ' ' HG ' ' A' 1344 ' ' LEU . 7.7 m . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.555 0.217 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.512 HG23 ' HB2' ' A' 1343 ' ' SER . 0.0 OUTLIER 38.57 99.12 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.363 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.397 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' 1340 ' ' THR . 8.3 Cg_endo -50.09 -49.81 15.16 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.948 2.432 . . . . 0.0 112.469 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -49.46 -39.46 33.46 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . 0.512 ' HB2' HG23 ' A' 1340 ' ' THR . 48.9 m -81.27 -29.92 34.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.012 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 1339 ' ' THR . 31.5 mt -58.02 -38.89 77.05 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.756 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -65.95 -39.08 90.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.644 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 38.8 t -67.96 -32.17 55.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.822 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -74.32 -37.55 63.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.34 -48.12 65.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.782 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.401 HD12 ' HB1' ' A' 1359 ' ' ALA . 90.9 mt -62.09 -38.64 89.6 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.103 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 46.9 t -61.18 -22.54 64.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -98.29 31.35 8.12 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.283 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 85.9 mtp -122.46 -68.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.732 0.301 . . . . 0.0 110.97 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -167.15 11.74 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.762 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.47 171.09 14.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.796 0.332 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 72.3 p -88.13 177.29 6.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.14 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -73.11 -27.0 61.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.95 -60.5 2.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . 0.406 ' HB3' HD11 ' A' 1377 ' ' LEU . 47.3 mt-10 -55.89 -33.65 64.81 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.694 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . 0.401 ' HB1' HD12 ' A' 1349 ' ' LEU . . . -67.94 -43.72 78.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.845 179.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -60.16 -53.35 58.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.105 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -59.31 -43.85 92.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.15 77.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.366 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.487 ' O ' ' N ' ' A' 1368 ' ' TRP . 5.5 mt -61.37 -59.52 5.15 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.954 0.407 . . . . 0.0 111.077 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.59 -64.25 0.77 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.889 -178.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 99.8 mttt -51.12 -52.66 41.67 Favored 'General case' 0 N--CA 1.463 0.175 0 O-C-N 123.882 0.739 . . . . 0.0 111.64 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.428 ' O ' ' CB ' ' A' 1367 ' ' ASN . 95.8 m -60.27 -9.07 2.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.694 0.283 . . . . 0.0 110.325 179.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.428 ' CB ' ' O ' ' A' 1366 ' ' CYS . 18.1 t-20 92.53 53.63 0.0 OUTLIER 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.142 179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.487 ' N ' ' O ' ' A' 1363 ' ' LEU . 72.0 m95 39.65 77.44 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.51 -1.223 . . . . 0.0 111.647 -178.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.489 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 37.1 m-20 -146.09 126.49 14.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.103 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . 0.482 ' HG ' HD13 ' B' ' 8' ' ' LEU . 31.0 tp -61.48 -65.59 0.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -178.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.401 ' OE2' ' HB3' ' A' 1369 ' ' ASP . 0.3 OUTLIER -50.96 -37.69 46.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.667 0.27 . . . . 0.0 111.072 -179.425 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -69.64 -35.67 75.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.424 179.368 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . 0.432 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -62.36 -49.84 73.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.167 179.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.613 HG21 HG21 ' B' ' 70' ' ' VAL . 31.8 m -58.84 -44.77 91.04 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.443 ' HA ' HD12 ' A' 1378 ' ' LEU . 1.6 t30 -60.95 -26.07 67.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.072 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.432 ' HB3' ' O ' ' A' 1373 ' ' ALA . 45.3 t80 -70.52 -49.62 46.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.116 179.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . 0.406 HD11 ' HB3' ' A' 1358 ' ' GLU . 4.0 mm? -67.68 -19.99 65.24 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 179.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.476 HD11 HD11 ' B' ' 44' ' ' ILE . 76.5 mt -82.06 -61.14 1.99 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -93.13 -63.82 1.17 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.389 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 44.3 m -52.35 161.57 0.64 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.158 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.081 -179.865 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptm . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.731 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -128.85 157.01 42.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.942 0.401 . . . . 0.0 111.032 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -131.69 137.87 54.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.95 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -102.77 94.45 5.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.998 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.538 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 70.9 t -75.07 147.74 8.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.955 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -135.48 109.98 8.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.105 0.479 . . . . 0.0 111.385 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.475 HG22 HD23 ' B' ' 69' ' ' LEU . 66.5 p -82.44 155.49 24.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.293 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.482 HD13 ' HG ' ' A' 1370 ' ' LEU . 90.2 mt -77.6 6.9 6.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.863 0.363 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.1 p -104.12 6.92 36.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.807 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.8 54.65 4.83 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.303 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -143.87 125.15 14.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 111.074 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 38.0 m -96.95 136.69 37.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.753 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 36.1 mt -128.58 98.97 4.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.147 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 34.1 m -87.57 112.73 22.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.401 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.527 HD11 ' HE3' ' B' ' 29' ' ' LYS . 42.4 tp -112.31 152.18 28.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.229 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -113.28 110.6 20.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.39 -170.84 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.132 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -123.28 -178.64 4.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.701 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 47.3 t -75.95 -25.76 56.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 50.8 m -90.87 11.24 23.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.074 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -84.16 145.45 28.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.708 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.436 ' O ' HG23 ' B' ' 26' ' ' VAL . 71.3 p -108.81 158.07 17.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.88 0.371 . . . . 0.0 111.312 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 38.7 mm -57.71 -44.03 84.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.374 -179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -56.26 -32.66 64.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.049 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -78.85 -34.22 45.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.967 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 22' ' ' THR . 91.6 t -58.8 -53.74 43.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.337 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.443 ' HG3' ' HG3' ' B' ' 41' ' ' GLN . 5.5 mptp? -53.31 -38.58 63.31 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 55.2 m -64.09 -47.66 79.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.405 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.527 ' HE3' HD11 ' B' ' 15' ' ' LEU . 29.7 mtpp -60.22 -36.71 78.31 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.543 179.712 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.7 mt -72.56 -29.03 29.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.68 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -72.44 -36.78 68.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.747 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -87.52 -9.36 54.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -98.65 -36.93 9.71 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.068 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -116.28 -76.46 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.016 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 151.7 0.51 0.27 Allowed Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.163 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.493 ' N ' HD12 ' B' ' 36' ' ' ILE . 3.1 mp -66.45 133.63 94.4 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.833 0.317 . . . . 0.0 110.415 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -56.22 131.07 43.6 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 122.282 1.988 . . . . 0.0 112.046 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.536 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 70.1 Cg_endo -74.84 -42.59 0.52 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.572 2.181 . . . . 0.0 112.894 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -71.42 4.61 2.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.578 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.409 ' HG2' ' HB3' ' B' ' 71' ' ' LEU . 52.5 tt0 -124.79 -38.31 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.67 ' HB2' HD11 ' B' ' 69' ' ' LEU . 28.9 pt20 -75.4 143.79 42.55 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.408 ' O ' HD12 ' B' ' 69' ' ' LEU . 81.7 mtt180 -140.93 141.87 34.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.581 ' HB3' HD12 ' B' ' 50' ' ' LEU . 6.2 mt -86.18 144.44 27.47 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.477 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.552 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 55.1 mt -135.96 130.84 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.783 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.441 ' HB3' HD21 ' B' ' 50' ' ' LEU . 70.2 t80 -142.32 130.52 22.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.861 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.39 19.44 7.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.16 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.0 25.76 39.69 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.57 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -128.27 144.83 51.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.38 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.22 108.83 17.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.265 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' B' ' 43' ' ' LEU . 23.9 mt -64.86 99.51 0.34 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.119 -179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -57.32 146.28 29.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -81.46 129.76 34.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.782 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 116.43 -22.45 11.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.57 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -91.69 160.41 15.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.736 0.303 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 30.4 p -83.95 165.0 19.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.457 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.12 -32.89 74.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.137 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.6 p -66.79 -21.62 66.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.14 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -68.19 -6.93 26.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.482 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.9 m-85 -126.88 11.38 7.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.12 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 13.5 m120 58.51 25.66 13.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.232 179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.482 HG13 ' HB2' ' B' ' 59' ' ' TYR . 77.5 mt -57.2 126.08 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.932 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -83.23 171.78 13.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.826 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -80.89 141.47 34.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 58.06 19.9 6.41 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.5 t -71.17 157.09 38.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.001 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 58.9 m -95.22 121.94 37.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.054 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -111.78 145.15 39.89 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.658 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.552 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 19.4 m-70 -95.37 136.02 36.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.818 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.67 HD11 ' HB2' ' B' ' 41' ' ' GLN . 43.0 tp -117.7 118.38 31.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.726 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.613 HG21 HG21 ' A' 1374 ' ' THR . 43.8 t -129.62 148.86 33.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.245 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.409 ' HB3' ' HG2' ' B' ' 40' ' ' GLN . 59.7 mt -78.31 162.92 26.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.175 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -94.72 -27.9 15.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.821 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 83.6 mt 66.23 112.19 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.246 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -89.14 127.74 35.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.619 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 148.58 91.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.139 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.459 -179.878 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 68.7 p . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.864 0.364 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 3.9 t -75.75 143.84 75.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.217 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.28 -48.69 5.71 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.76 2.307 . . . . 0.0 112.753 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -46.16 -45.45 16.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.793 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 60.2 m -74.24 -34.83 63.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.779 0.323 . . . . 0.0 110.827 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.68 -30.85 71.0 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -67.89 -46.41 71.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.619 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 47.5 t -61.82 -35.71 69.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.046 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -74.73 -37.59 62.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.97 -24.84 61.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.054 0.454 . . . . 0.0 110.337 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.488 HD12 HD11 ' A' 1363 ' ' LEU . 81.1 mt -87.23 -30.12 21.19 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.272 -179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' 1354 ' ' PHE . 47.5 t -66.92 -11.25 55.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.067 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -102.53 15.22 56.15 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.705 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . 0.47 ' HA ' ' NE2' ' B' ' 68' ' ' HIS . 70.4 mtp -102.02 -43.13 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.57 0.224 . . . . 0.0 111.189 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . 0.409 ' H ' ' H ' ' A' 1354 ' ' PHE . . . 161.9 6.95 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.849 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . 0.444 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -133.6 151.58 51.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.877 0.37 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.7 p -62.98 174.7 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.491 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -71.74 -27.71 63.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -64.45 -56.2 15.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.654 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . 0.452 ' HB3' HD11 ' A' 1377 ' ' LEU . 10.6 mm-40 -54.09 -37.79 64.64 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.616 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -70.88 -36.55 72.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -62.68 -56.74 14.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.686 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -58.85 -48.55 80.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -53.86 -51.32 64.0 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.539 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.488 HD11 HD12 ' A' 1349 ' ' LEU . 11.1 mt -57.87 -59.23 5.56 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.415 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -46.04 -64.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.041 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -50.71 -52.74 37.43 Favored 'General case' 0 N--CA 1.464 0.226 0 O-C-N 124.173 0.92 . . . . 0.0 111.765 -179.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.441 ' O ' ' CB ' ' A' 1367 ' ' ASN . 94.1 m -56.09 -14.09 2.43 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 179.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' 1366 ' ' CYS . 0.2 OUTLIER 94.48 51.45 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 108.832 179.276 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . . . . . . . . . 82.0 m95 40.05 80.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 114.572 -1.194 . . . . 0.0 111.317 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.617 ' HB3' ' HB3' ' A' 1372 ' ' ALA . 16.3 t70 -148.13 138.42 22.75 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.706 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.9 -75.76 0.07 Allowed 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' B' ' 73' ' ' LEU . 13.2 pt-20 -48.8 -38.71 22.81 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.807 0.299 . . . . 0.0 111.807 -178.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.617 ' HB3' ' HB3' ' A' 1369 ' ' ASP . . . -63.33 -42.69 98.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.814 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . . . . . . . . . . . -61.42 -50.15 73.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.718 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.467 ' O ' ' HG ' ' A' 1378 ' ' LEU . 76.3 m -59.54 -51.26 70.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.981 179.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.553 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.9 t30 -55.95 -28.35 56.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.16 179.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 20.9 t80 -66.78 -59.76 3.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.124 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . 0.452 HD11 ' HB3' ' A' 1358 ' ' GLU . 4.2 mm? -53.49 -19.59 3.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.628 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' 1375 ' ' ASN . 17.1 mt -90.82 -46.65 8.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.658 -179.394 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 15.0 t70 -93.4 -53.03 4.24 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 19.3 p -43.14 -41.14 3.56 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.539 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 111.104 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.1 ptm . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.777 0.323 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -131.75 159.96 36.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.097 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.549 ' HB ' HD13 ' B' ' 67' ' ' LEU . 38.8 pt -137.32 154.32 30.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.988 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -111.55 95.2 5.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.18 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.546 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 73.4 t -68.66 131.93 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.721 179.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -121.83 101.91 7.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.152 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.491 HG22 ' HB3' ' B' ' 69' ' ' LEU . 72.3 p -84.35 152.71 23.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.402 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.66 -17.89 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -75.51 -4.21 38.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.735 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.82 49.37 4.84 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.437 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 39.1 ttmt -128.46 133.37 48.5 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 120.928 0.394 . . . . 0.0 111.102 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 47.8 m -107.83 98.16 7.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.502 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.546 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 13.7 mt -96.13 113.18 29.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.602 -179.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 38.4 m -90.24 123.2 33.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.583 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.5 tp -121.6 145.68 47.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.851 0.357 . . . . 0.0 111.355 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -113.76 100.48 8.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.885 179.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.7 m -115.45 -174.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.707 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -110.76 175.05 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 80.4 p -76.2 -32.47 59.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.026 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 44.3 t -79.48 -3.47 46.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -72.01 140.16 48.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.163 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 77.4 p -96.19 170.54 9.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.874 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -65.38 -48.73 82.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -51.74 -42.34 62.24 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.373 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -59.03 -48.29 82.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.716 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -52.81 -45.62 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.263 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmmm -56.12 -41.11 74.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.876 0.37 . . . . 0.0 110.717 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 51.1 m -63.74 -50.6 68.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.094 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -53.68 -41.58 67.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 61.8 mt -73.52 -28.69 25.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.958 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -65.27 -42.4 93.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.009 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -86.51 -14.69 42.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.126 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -80.67 -53.29 6.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -103.65 -65.33 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.785 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.15 6.1 0.68 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.766 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.493 HG22 ' HB3' ' B' ' 41' ' ' GLN . 42.0 mm -64.14 125.79 88.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.596 0.198 . . . . 0.0 110.77 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.504 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 13.2 Cg_endo -56.98 149.07 64.23 Favored 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.38 2.054 . . . . 0.0 112.209 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.608 ' HA ' HE21 ' B' ' 41' ' ' GLN . 90.2 Cg_endo -77.98 -42.5 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.679 2.253 . . . . 0.0 112.983 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -70.58 4.01 2.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.504 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 78.2 mm-40 -121.15 -54.58 2.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.865 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.62 ' HB2' HD21 ' B' ' 69' ' ' LEU . 29.3 pt20 -53.18 135.18 38.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.676 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 52.6 mtp180 -138.39 120.05 15.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.714 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.529 ' HB3' HD12 ' B' ' 50' ' ' LEU . 3.5 mt -80.05 135.29 36.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.103 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.494 HG12 ' NE2' ' B' ' 49' ' ' GLN . 32.9 mt -135.95 141.43 41.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-O 120.921 0.391 . . . . 0.0 111.129 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -156.13 139.94 16.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.756 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 63.15 14.03 7.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.266 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.58 3.91 77.16 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.921 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -121.24 141.32 51.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.494 ' NE2' HG12 ' B' ' 44' ' ' ILE . 7.2 tp-100 -69.98 131.41 44.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.995 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' B' ' 43' ' ' LEU . 65.7 mt -83.15 99.39 9.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.465 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.93 159.44 7.04 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.046 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -87.39 145.95 26.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.038 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 103.22 -42.57 1.86 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.365 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -74.16 162.96 28.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.727 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 46.1 p -91.97 -177.9 4.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.543 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.461 ' HA ' HD12 ' B' ' 61' ' ' ILE . 54.5 mt -76.21 -33.71 59.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.139 -179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -68.36 -21.44 64.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.002 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -68.31 -14.95 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.401 ' HB2' HG13 ' B' ' 61' ' ' ILE . 86.4 m-85 -120.59 16.99 12.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.328 -179.639 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.4 m120 58.71 21.6 9.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.367 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.461 HD12 ' HA ' ' B' ' 56' ' ' LEU . 71.7 mt -59.18 106.89 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.0 110.973 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 19.6 mm-40 -69.84 -173.31 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.0 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -84.02 149.93 25.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 43.78 29.24 0.28 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.498 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.1 m -68.74 159.62 31.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.451 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 35.3 m -95.06 107.98 20.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.841 0.353 . . . . 0.0 111.246 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.549 HD13 ' HB ' ' B' ' 3' ' ' ILE . 7.4 mp -101.96 165.25 11.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.498 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.47 ' NE2' ' HA ' ' A' 1352 ' ' MET . 48.5 m-70 -122.32 157.1 32.5 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.992 0.425 . . . . 0.0 111.209 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.62 HD21 ' HB2' ' B' ' 41' ' ' GLN . 2.4 tm? -139.05 103.85 4.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.518 -179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 p -117.34 144.44 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.65 156.55 36.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.73 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -56.3 -76.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.42 ' HA ' ' OE1' ' A' 1371 ' ' GLU . 0.1 OUTLIER -177.39 32.23 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.568 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? 56.96 92.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.42 85.21 1.08 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.451 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.339 -1.256 . . . . 0.0 112.522 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 22.2 m . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.972 0.415 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -53.83 116.81 10.87 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.899 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.53 -49.56 4.29 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.482 2.122 . . . . 0.0 112.991 -179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 62.3 mttp -48.73 -48.27 40.71 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.781 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . . . . . . . . . 38.9 t -83.46 -29.19 28.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.427 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 66.2 tp -59.93 -46.33 89.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.803 0.335 . . . . 0.0 110.943 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -59.39 -45.61 91.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 42.0 t -62.13 -43.08 97.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.279 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -69.07 -27.57 65.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -81.15 -27.61 35.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.137 0.494 . . . . 0.0 110.029 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.477 HD12 HD11 ' A' 1363 ' ' LEU . 74.6 mt -83.48 -20.75 33.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.011 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 96.3 p -70.34 -26.97 64.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.606 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -83.93 -2.01 89.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.306 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 90.0 mmm -79.32 -61.46 2.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.35 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 171.32 13.96 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.701 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.18 161.89 35.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.96 0.41 . . . . 0.0 111.215 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.3 p -69.62 175.77 3.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.642 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -73.69 -26.11 60.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.202 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.53 -59.33 3.74 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -54.77 -35.99 64.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -69.66 -37.3 76.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -61.0 -53.28 59.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.808 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -62.41 -46.24 89.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.759 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -55.06 -46.0 75.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.527 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.477 HD11 HD12 ' A' 1349 ' ' LEU . 12.1 mt -63.62 -59.25 4.86 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 120.925 0.393 . . . . 0.0 111.134 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -45.7 -64.25 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.649 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . 0.428 ' NZ ' ' HB3' ' A' 1365 ' ' LYS . 4.1 mmmp? -50.54 -53.94 26.33 Favored 'General case' 0 N--CA 1.463 0.209 0 O-C-N 123.913 0.758 . . . . 0.0 111.794 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' 1367 ' ' ASN . 1.8 p -58.0 -10.22 1.72 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.631 -0.258 . . . . 0.0 110.459 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' A' 1366 ' ' CYS . 11.8 m120 93.83 49.81 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 O-C-N 124.284 0.99 . . . . 0.0 109.334 179.072 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.453 ' N ' ' O ' ' A' 1363 ' ' LEU . 79.2 m95 39.28 72.94 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.434 -178.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.496 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 41.7 m-20 -140.48 142.86 35.26 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.691 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.45 -77.52 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.412 ' HG2' HD22 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -47.87 -40.46 21.65 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.736 -178.853 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.496 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -61.93 -41.97 98.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.802 0.334 . . . . 0.0 111.048 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . 0.453 ' HB2' HD23 ' A' 1363 ' ' LEU . . . -61.36 -53.27 58.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.797 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.603 HG21 HG21 ' B' ' 70' ' ' VAL . 40.3 m -54.14 -43.18 70.3 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.598 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.8 t30 -64.2 -28.81 70.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.01 178.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . . . . . . . . . 28.0 t80 -67.65 -39.36 84.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.937 179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.2 mm? -72.34 -23.54 61.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.964 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' 1375 ' ' ASN . 26.1 mt -82.12 -63.8 1.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.902 0.382 . . . . 0.0 111.181 -179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -84.3 -66.82 0.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.409 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . . . . . . . . . 74.1 m -57.23 171.15 0.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.099 179.915 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.752 0.31 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -101.35 144.35 30.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.1 pt -131.04 151.58 36.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -122.82 101.36 7.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.154 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.543 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 43.4 t -87.53 140.02 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.483 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -127.8 133.02 49.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.413 . . . . 0.0 111.732 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.422 HG22 HD23 ' B' ' 69' ' ' LEU . 56.6 p -101.37 146.89 27.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.21 178.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.435 ' H ' HD22 ' B' ' 8' ' ' LEU . 2.6 mm? -58.52 -28.15 65.17 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.693 0.282 . . . . 0.0 111.289 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.9 m -63.56 -27.4 69.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.878 0.371 . . . . 0.0 110.716 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.36 59.42 0.55 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.303 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -141.58 141.17 33.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 111.036 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.7 m -104.99 144.56 31.64 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.863 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.543 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 28.9 mt -136.55 104.53 3.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.231 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 88.1 m -92.27 119.94 32.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.658 179.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 49.3 tp -127.83 146.76 50.5 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.363 . . . . 0.0 111.573 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -101.56 95.66 6.61 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.239 179.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.3 m -109.17 -170.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.485 -179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -132.75 163.28 29.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.668 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.2 t -76.04 -18.05 59.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.114 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 38.0 t -93.91 3.14 55.82 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.078 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -86.68 166.69 15.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.609 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.412 ' O ' HG23 ' B' ' 26' ' ' VAL . 70.2 p -107.72 171.53 7.34 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.925 0.393 . . . . 0.0 111.345 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.445 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 44.2 mm -69.79 -53.97 21.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.269 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' B' ' 52' ' ' ASP . 15.8 t70 -49.25 -32.81 11.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.58 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -70.48 -41.35 72.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.858 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.412 HG23 ' O ' ' B' ' 22' ' ' THR . 90.5 t -61.88 -40.8 88.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.525 ' HE3' ' HG ' ' B' ' 43' ' ' LEU . 1.8 mmmm -58.39 -45.16 88.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.681 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 46.7 t -63.04 -46.88 85.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.663 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -55.28 -38.49 68.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.835 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.2 mt -74.55 -31.52 27.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -66.82 -37.81 85.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.29 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -82.16 -18.21 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.948 -179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -85.37 -66.91 0.84 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -85.58 -71.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.009 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 143.08 26.51 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.798 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 39.0 mm -89.76 130.88 41.4 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.493 0.147 . . . . 0.0 110.627 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.5 Cg_endo -63.66 135.97 51.58 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.394 2.062 . . . . 0.0 112.39 -179.775 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.523 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 7.4 Cg_exo -72.54 -33.15 8.93 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 122.785 2.324 . . . . 0.0 112.429 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.03 -6.16 21.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.249 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.441 HE22 ' HE ' ' B' ' 72' ' ' ARG . 28.7 mm-40 -117.34 -60.87 1.78 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.147 -179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 10.0 pt20 -50.74 143.26 9.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.746 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -138.68 125.0 20.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.337 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.525 ' HG ' ' HE3' ' B' ' 27' ' ' LYS . 22.7 mt -79.4 131.51 36.12 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.169 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.484 HD11 HD11 ' A' 1378 ' ' LEU . 54.6 mt -133.28 144.89 34.94 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.998 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -157.72 140.79 15.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.89 19.31 10.57 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.331 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.04 1.61 89.65 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.556 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -119.06 134.54 55.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.734 0.302 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.421 ' HB2' HD22 ' A' 1378 ' ' LEU . 35.2 tt0 -72.5 147.09 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.659 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 25.7 mt -98.65 122.07 41.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.077 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -77.69 151.22 34.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.454 ' HB3' ' HB2' ' B' ' 24' ' ' ASP . 17.4 m-20 -84.65 15.93 3.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.358 -179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.92 1.86 21.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.693 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -132.58 170.88 14.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.789 0.328 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 41.5 p -89.94 -175.33 4.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.606 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 38.3 mt -78.07 -31.87 50.43 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.257 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 61.3 m -70.52 -24.68 62.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.611 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -66.9 -19.45 65.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.23 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -115.03 9.1 15.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.012 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 57.95 91.2 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.054 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.7 mt -129.54 113.65 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.822 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -77.13 -179.53 5.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 43.4 mmtm -79.67 152.47 29.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 58.65 19.69 7.01 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 79.8 p -63.82 159.39 19.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 89.4 m -107.08 105.16 15.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.171 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -91.36 156.27 17.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.666 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 46.2 m-70 -112.82 145.81 39.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' B' ' 41' ' ' GLN . 10.1 tp -119.87 108.95 14.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.425 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.603 HG21 HG21 ' A' 1374 ' ' THR . 19.3 t -117.32 134.67 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.902 0.382 . . . . 0.0 111.468 -179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.427 ' N ' HD22 ' B' ' 71' ' ' LEU . 3.7 mm? -73.6 143.32 46.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.558 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.441 ' HE ' HE22 ' B' ' 40' ' ' GLN . 55.8 ttp180 -58.7 -36.12 73.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.604 ' HG ' ' H ' ' B' ' 74' ' ' ARG . 8.1 tp 58.82 -173.98 0.1 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.677 179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.604 ' H ' ' HG ' ' B' ' 73' ' ' LEU . 58.2 ttp180 65.66 141.95 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.424 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 147.91 92.6 0.11 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.574 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.53 179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.805 0.336 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.516 HG23 ' HB3' ' A' 1343 ' ' SER . 2.0 t -75.96 139.58 69.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -77.13 -38.36 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 122.578 2.185 . . . . 0.0 112.665 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -53.11 -34.55 57.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.912 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . 0.516 ' HB3' HG23 ' A' 1340 ' ' THR . 38.8 t -83.49 -35.46 24.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.053 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 48.1 mt -57.4 -45.57 84.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.212 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -57.89 -49.02 78.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.946 0.403 . . . . 0.0 110.939 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . . . . . . . . . 58.2 t -57.32 -43.82 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.294 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -64.25 -48.9 73.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.755 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.66 -26.2 66.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.851 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.444 ' HB3' ' HE2' ' A' 1354 ' ' PHE . 76.8 mt -86.59 -29.68 22.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.09 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . . . . . . . . . 48.0 t -67.15 -10.22 47.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -107.68 36.03 4.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.838 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 42.8 ttm -124.85 -37.39 2.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.31 . . . . 0.0 111.148 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . 159.85 14.38 0.04 OUTLIER Glycine 0 C--N 1.331 0.25 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.817 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . 0.444 ' HE2' ' HB3' ' A' 1349 ' ' LEU . 0.1 OUTLIER -144.51 164.8 29.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.807 0.337 . . . . 0.0 111.088 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 69.9 p -82.33 179.83 7.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.677 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -70.41 -29.24 65.8 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.86 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -63.54 -57.49 9.99 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -54.46 -42.13 70.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.45 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . . . . . . . . . . . -67.96 -30.69 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.86 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -64.24 -51.79 61.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.738 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -63.31 -47.74 81.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -54.4 -52.19 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.237 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' 1368 ' ' TRP . 14.7 mt -59.79 -60.17 4.26 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.498 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -45.5 -64.64 0.68 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.192 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . 0.41 ' C ' ' H ' ' A' 1367 ' ' ASN . 67.0 mttm -51.95 -52.35 50.82 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.9 0.75 . . . . 0.0 111.533 -179.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.518 ' O ' ' HB2' ' A' 1367 ' ' ASN . 94.5 m -61.3 -6.39 2.15 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.593 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' 1366 ' ' CYS . 48.7 m-80 90.77 53.98 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 124.259 0.975 . . . . 0.0 109.342 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.511 ' N ' ' O ' ' A' 1363 ' ' LEU . 80.3 m95 40.98 37.83 0.59 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.935 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.46 ' O ' HD23 ' A' 1363 ' ' LEU . 28.3 m-20 -100.63 128.96 46.5 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.273 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.71 -71.58 0.16 Allowed 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.404 ' OE1' ' HB3' ' A' 1369 ' ' ASP . 0.0 OUTLIER -47.85 -38.45 16.11 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.61 0.243 . . . . 0.0 111.329 -179.02 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.438 ' HB3' ' HB2' ' A' 1369 ' ' ASP . . . -65.7 -42.18 91.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.045 0.45 . . . . 0.0 110.308 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' 1376 ' ' PHE . . . -60.36 -46.65 89.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.347 179.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.529 HG21 HG21 ' B' ' 70' ' ' VAL . 38.0 m -58.12 -49.02 78.43 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 178.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.476 ' HA ' HD12 ' A' 1378 ' ' LEU . 2.2 t30 -58.99 -26.58 64.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.074 179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.485 ' HA ' ' HB2' ' A' 1380 ' ' SER . 32.1 t80 -70.22 -42.52 72.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.966 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -71.12 -18.74 62.51 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.146 179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.591 HD22 ' HB2' ' B' ' 49' ' ' GLN . 47.8 mt -87.36 -62.27 1.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.816 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 18.3 t70 -93.42 -58.14 2.38 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.485 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 61.5 m -54.67 -11.66 0.62 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.876 -179.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.157 -0.925 . . . . 0.0 111.048 179.695 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.505 ' HG3' ' HG3' ' B' ' 63' ' ' LYS . 27.2 ttt . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -122.1 163.38 19.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.164 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 34.6 pt -137.49 145.97 28.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.75 179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -108.95 96.7 6.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.375 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 69.7 t -74.55 128.56 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.614 179.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -105.12 95.08 5.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.624 -179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.588 ' HA ' ' HB3' ' B' ' 69' ' ' LEU . 45.4 p -75.29 143.39 42.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.683 0.278 . . . . 0.0 110.3 179.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.429 HD11 HG22 ' B' ' 70' ' ' VAL . 87.4 mt -67.71 -7.61 28.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.024 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.4 p -85.06 -4.11 59.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.54 45.27 5.28 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.336 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' B' ' 12' ' ' THR . 7.2 tmtm? -137.35 127.92 26.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.012 0.434 . . . . 0.0 110.969 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.452 ' N ' ' HD3' ' B' ' 11' ' ' LYS . 70.2 m -101.08 107.12 18.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.635 179.551 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 55.9 mt -94.87 119.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.476 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 87.1 m -99.0 112.92 24.91 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.373 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 27.5 tp -118.94 142.63 47.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.951 0.405 . . . . 0.0 111.756 -179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -96.27 105.89 18.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.946 179.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 22.8 m -123.73 -176.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.428 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -127.55 159.01 35.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.665 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 86.9 p -72.62 -2.04 18.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.164 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 51.4 m -95.76 -18.1 20.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -74.27 141.81 45.31 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 49.7 p -80.71 162.64 24.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.77 -51.0 77.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -57.38 -35.87 70.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.288 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -63.07 -39.13 93.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.022 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.4 t -59.0 -49.28 83.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.313 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.407 ' HE2' ' HG ' ' B' ' 43' ' ' LEU . 2.1 mptm? -52.18 -45.52 65.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.833 0.349 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 39.4 t -61.39 -47.67 84.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.427 ' HB3' ' NZ ' ' B' ' 29' ' ' LYS . 7.2 mtpm? -57.67 -34.37 69.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.89 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.4 mt -71.12 -40.07 74.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.627 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -62.2 -37.3 84.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.556 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -80.84 -17.26 51.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.851 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -84.88 -68.11 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.597 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.39 -74.97 0.51 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 160.4 31.6 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.517 -0.849 . . . . 0.0 113.108 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.456 ' N ' HD12 ' B' ' 36' ' ' ILE . 4.4 mp -104.27 113.31 65.31 Favored Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.811 0.305 . . . . 0.0 110.701 179.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.409 ' O ' ' HG2' ' B' ' 41' ' ' GLN . 51.1 Cg_exo -53.83 150.26 30.43 Favored 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.371 2.047 . . . . 0.0 112.257 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.09 -43.16 0.41 Allowed 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 122.721 2.281 . . . . 0.0 112.985 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -75.93 8.38 3.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.98 0.419 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.691 ' O ' ' HB3' ' B' ' 71' ' ' LEU . 14.8 mm100 -123.18 -10.64 8.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.999 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.588 ' HB2' HD11 ' B' ' 69' ' ' LEU . 28.1 pt20 -126.87 138.39 53.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.185 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 mtt180 -127.46 131.87 50.11 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.381 178.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.407 ' HG ' ' HE2' ' B' ' 27' ' ' LYS . 33.5 mt -81.43 141.31 34.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.079 0.466 . . . . 0.0 112.033 -179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.563 ' HB ' ' HB2' ' B' ' 68' ' ' HIS . 78.7 mt -132.97 137.33 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.09 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.95 179.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.509 ' HB2' HD22 ' B' ' 67' ' ' LEU . 72.2 t80 -147.56 129.61 15.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.81 23.26 13.24 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.208 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.41 16.6 77.75 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.56 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -122.63 127.76 49.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 110.9 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.591 ' HB2' HD22 ' A' 1378 ' ' LEU . 6.9 tp-100 -72.11 125.45 27.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.789 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.81 104.64 5.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.538 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.73 137.24 55.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.983 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -71.62 123.56 22.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.993 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 132.83 -42.03 1.42 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -81.79 178.94 8.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.801 0.334 . . . . 0.0 110.765 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 55.5 p -101.54 -176.27 3.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 mt -80.67 -11.86 59.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.05 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -81.14 -23.56 38.22 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.452 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -70.2 -6.46 34.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.71 0.29 . . . . 0.0 111.41 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.427 ' HB2' HG13 ' B' ' 61' ' ' ILE . 87.5 m-85 -128.02 13.8 6.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 14.5 m120 57.61 19.98 5.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.451 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.427 HG13 ' HB2' ' B' ' 59' ' ' TYR . 72.5 mt -59.69 104.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.847 0.356 . . . . 0.0 110.598 179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -84.18 -164.85 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.273 -179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.505 ' HG3' ' HG3' ' B' ' 1' ' ' MET . 1.5 mptm? -82.07 149.98 27.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.116 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 58.82 17.66 5.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.338 179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -63.78 134.55 55.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 93.5 m -86.35 104.96 16.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.193 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.509 HD22 ' HB2' ' B' ' 45' ' ' PHE . 29.0 mt -95.86 172.1 8.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.484 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.563 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 75.7 m-70 -124.99 157.3 36.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 0.0 110.796 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.588 ' HB3' ' HA ' ' B' ' 7' ' ' THR . 1.2 tm? -123.29 108.02 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.928 -179.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.549 ' O ' ' HB2' ' B' ' 71' ' ' LEU . 39.6 t -142.96 139.97 27.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.112 179.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.691 ' HB3' ' O ' ' B' ' 40' ' ' GLN . 0.3 OUTLIER 166.54 -134.04 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 123.862 0.726 . . . . 0.0 109.835 179.538 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.59 ' HD2' HE21 ' B' ' 40' ' ' GLN . 9.2 mmm180 65.54 50.85 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 96.0 mt -137.98 102.05 4.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.918 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 55.74 -87.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.322 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 110.95 7.7 24.92 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.47 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.326 -1.264 . . . . 0.0 112.525 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1339 ' ' THR . . . . . . . . . . . . . 50.4 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.68 0.276 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1340 ' ' THR . . . . . 0.541 HG23 ' HB2' ' A' 1343 ' ' SER . 1.2 t -67.41 145.41 98.42 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.938 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1341 ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -80.78 -40.67 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.792 2.328 . . . . 0.0 112.866 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1342 ' ' LYS . . . . . 0.541 ' O ' HG23 ' A' 1346 ' ' VAL . 59.5 mttp -53.59 -46.74 70.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.69 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1343 ' ' SER . . . . . 0.541 ' HB2' HG23 ' A' 1340 ' ' THR . 63.6 m -64.64 -42.04 95.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.379 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1344 ' ' LEU . . . . . . . . . . . . . 75.8 mt -54.91 -38.01 67.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.831 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1345 ' ' ALA . . . . . . . . . . . . . . . -69.48 -41.09 76.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1346 ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' 1356 ' ' GLU . 0.7 OUTLIER -66.03 -32.89 60.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.405 -179.306 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1347 ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -70.67 -47.28 60.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.306 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1348 ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -56.86 -42.03 78.99 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.389 179.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1349 ' ' LEU . . . . . 0.475 HD12 HD11 ' A' 1363 ' ' LEU . 79.1 mt -71.12 -20.34 62.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.962 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1350 ' ' SER . . . . . 0.466 ' HA ' ' O ' ' A' 1354 ' ' PHE . 35.9 t -77.53 -10.82 59.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.632 179.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1351 ' ' GLY . . . . . . . . . . . . . . . -96.22 -0.95 61.23 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.629 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1352 ' ' MET . . . . . . . . . . . . . 25.9 mtt -92.95 -75.83 0.48 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.756 0.313 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1353 ' ' GLY . . . . . . . . . . . . . . . -163.99 8.7 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1354 ' ' PHE . . . . . 0.503 ' HB2' ' HB2' ' A' 1358 ' ' GLU . 0.3 OUTLIER -138.28 126.24 22.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.874 0.369 . . . . 0.0 110.898 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1355 ' ' THR . . . . . . . . . . . . . 82.8 p -59.42 178.53 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.264 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1356 ' ' GLU . . . . . 0.725 ' HA ' HG12 ' A' 1346 ' ' VAL . 1.1 mp0 -62.72 -16.0 55.48 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.531 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1357 ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.95 -63.81 1.1 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.024 0.44 . . . . 0.0 110.236 179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1358 ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' 1354 ' ' PHE . 40.7 mt-10 -56.17 -32.21 64.1 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.906 179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1359 ' ' ALA . . . . . 0.406 ' O ' HD12 ' A' 1363 ' ' LEU . . . -74.52 -36.31 63.19 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.048 179.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1360 ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -57.11 -45.34 83.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.062 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1361 ' ' ASN . . . . . . . . . . . . . 57.5 m-20 -69.95 -51.28 34.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.89 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1362 ' ' ALA . . . . . . . . . . . . . . . -52.35 -57.68 9.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.212 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1363 ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' 1368 ' ' TRP . 8.7 mt -58.79 -59.58 5.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.581 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1364 ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -45.57 -64.59 0.7 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.345 -177.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1365 ' ' LYS . . . . . . . . . . . . . 65.7 tttm -50.65 -52.09 42.97 Favored 'General case' 0 C--O 1.232 0.178 0 O-C-N 123.992 0.807 . . . . 0.0 111.542 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1366 ' ' CYS . . . . . 0.533 ' SG ' ' HB1' ' A' 1372 ' ' ALA . 4.7 t -61.91 -10.05 8.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.481 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1367 ' ' ASN . . . . . 0.435 ' CB ' ' O ' ' A' 1366 ' ' CYS . 0.2 OUTLIER 95.05 52.64 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.301 1.0 . . . . 0.0 109.166 179.468 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1368 ' ' TRP . . . . . 0.579 ' HZ3' HG22 ' A' 1346 ' ' VAL . 82.0 m95 36.24 80.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 114.485 -1.234 . . . . 0.0 112.015 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1369 ' ' ASP . . . . . 0.505 ' HB2' ' HB3' ' A' 1372 ' ' ALA . 39.6 m-20 -142.28 120.43 12.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.223 179.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1370 ' ' LEU . . . . . 0.679 HD11 HD22 ' B' ' 8' ' ' LEU . 3.1 tm? -52.01 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -178.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1371 ' ' GLU . . . . . 0.45 ' HG2' ' N ' ' A' 1372 ' ' ALA . 0.0 OUTLIER -49.89 -47.25 52.11 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.493 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1372 ' ' ALA . . . . . 0.533 ' HB1' ' SG ' ' A' 1366 ' ' CYS . . . -57.9 -40.54 80.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 0.0 111.027 -179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1373 ' ' ALA . . . . . 0.424 ' HB3' HD11 ' A' 1349 ' ' LEU . . . -65.45 -41.98 92.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.262 -0.427 . . . . 0.0 109.954 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1374 ' ' THR . . . . . 0.649 ' HB ' HG21 ' B' ' 70' ' ' VAL . 41.7 m -55.08 -45.67 75.4 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1375 ' ' ASN . . . . . 0.579 ' HA ' HD12 ' A' 1378 ' ' LEU . 0.4 OUTLIER -65.89 -27.65 68.36 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.823 178.576 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1376 ' ' PHE . . . . . 0.429 ' HA ' ' HB2' ' A' 1380 ' ' SER . 33.3 t80 -65.16 -37.34 87.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.117 179.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1377 ' ' LEU . . . . . . . . . . . . . 4.4 mm? -76.1 -27.57 57.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.896 179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1378 ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' 1375 ' ' ASN . 26.9 mt -76.97 -57.96 3.55 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.189 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1379 ' ' ASP . . . . . . . . . . . . . 29.2 t70 -93.07 -66.11 0.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.48 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1380 ' ' SER . . . . . 0.429 ' HB2' ' HA ' ' A' 1376 ' ' PHE . 29.1 m -55.21 171.15 0.17 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.88 0.372 . . . . 0.0 111.346 -179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1381 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.114 -179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.794 0.331 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -121.76 139.92 52.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.216 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 36.4 pt -113.15 152.39 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.864 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -117.42 99.54 7.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.901 0.381 . . . . 0.0 111.33 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.559 ' HB ' ' HB ' ' B' ' 13' ' ' ILE . 75.1 t -76.57 140.06 17.81 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.672 179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -107.62 110.67 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.171 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.4 p -82.67 156.3 23.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.624 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.679 HD22 HD11 ' A' 1370 ' ' LEU . 88.5 mt -79.31 2.03 22.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 66.6 p -97.37 -10.98 24.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.922 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.59 46.0 2.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.56 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -136.1 145.19 45.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.942 0.401 . . . . 0.0 111.304 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 93.1 m -108.02 106.37 16.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.839 -0.618 . . . . 0.0 110.793 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.559 ' HB ' ' HB ' ' B' ' 5' ' ' VAL . 76.3 mt -85.82 120.43 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.244 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 47.9 m -102.68 113.49 26.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.75 179.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.409 ' HG ' HG22 ' B' ' 13' ' ' ILE . 96.8 mt -122.5 137.32 54.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.301 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -92.73 102.05 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.254 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -110.96 -172.47 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.36 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -126.24 173.62 9.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.833 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 65.7 m -76.15 -5.99 49.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 79.4 p -111.63 -6.21 14.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.126 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -61.16 148.42 40.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.019 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 42.0 p -107.11 162.19 14.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.631 179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.5 mm -57.64 -49.4 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.342 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -51.45 -32.75 28.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.629 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -70.72 -46.66 62.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.778 0.323 . . . . 0.0 111.051 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 26.4 t -52.19 -50.57 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.422 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.599 ' HB3' HE21 ' B' ' 41' ' ' GLN . 4.4 mmmm -51.66 -44.83 63.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.632 -179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -59.5 -45.37 91.89 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.273 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.27 -38.43 80.08 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.13 -43.75 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.573 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -62.52 -36.6 83.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.438 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -79.95 -10.65 59.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.174 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.538 ' HG2' HG23 ' B' ' 13' ' ' ILE . 57.8 tptt -90.11 -68.18 0.8 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -102.39 -70.72 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.784 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.85 37.0 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.757 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.543 ' N ' HD12 ' B' ' 36' ' ' ILE . 3.5 mp -85.76 130.25 51.5 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.5 115.06 2.21 Favored 'Trans proline' 0 C--N 1.35 0.638 0 C-N-CA 122.679 2.252 . . . . 0.0 112.919 -179.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.546 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 27.9 Cg_exo -63.05 -21.55 73.03 Favored 'Trans proline' 0 C--N 1.351 0.662 0 C-N-CA 122.775 2.317 . . . . 0.0 112.646 179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.13 -3.7 40.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.43 -179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -125.9 -49.99 1.59 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.649 0.261 . . . . 0.0 111.295 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.599 HE21 ' HB3' ' B' ' 27' ' ' LYS . 10.9 pt20 -56.22 143.05 35.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.06 0.457 . . . . 0.0 111.613 -179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -140.19 132.19 27.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.207 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.52 HD23 ' HE3' ' B' ' 27' ' ' LYS . 0.2 OUTLIER -78.2 140.05 38.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 -179.689 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.461 HD13 HD21 ' A' 1378 ' ' LEU . 52.6 mt -135.65 143.72 35.76 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.321 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.4 ' HB3' HD21 ' B' ' 50' ' ' LEU . 61.9 t80 -152.16 125.51 8.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.395 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 19.24 9.95 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.317 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.37 3.9 71.6 Favored Glycine 0 C--N 1.331 0.29 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.606 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -101.02 130.39 47.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.34 . . . . 0.0 111.034 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.473 ' HB2' HD22 ' A' 1378 ' ' LEU . 0.2 OUTLIER -75.7 98.68 4.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.44 179.775 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.494 ' HB2' ' HB3' ' B' ' 43' ' ' LEU . 26.1 mt -62.47 106.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.118 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.85 176.37 6.54 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.4 162.09 24.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.618 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 89.89 -42.54 2.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.192 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 6.0 mpt_? -77.13 164.38 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.58 -176.42 3.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.718 179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.422 ' HA ' HD12 ' B' ' 61' ' ' ILE . 6.9 mp -71.52 -21.42 61.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.842 0.353 . . . . 0.0 111.069 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 43.1 t -75.14 -22.6 58.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.9 -13.88 59.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.861 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.495 ' HB2' HG13 ' B' ' 61' ' ' ILE . 82.7 m-85 -126.49 5.14 6.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 57.76 30.14 18.5 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.322 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.495 HG13 ' HB2' ' B' ' 59' ' ' TYR . 60.6 mt -62.16 115.98 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.056 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -86.18 -176.51 5.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 159.4 14.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 59.83 17.47 6.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.808 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 62.5 m -82.96 166.36 18.92 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.546 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 70.6 m -113.24 102.51 10.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.045 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 25.1 mt -86.49 -179.65 6.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.331 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.2 m-70 -131.34 158.77 39.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.944 0.402 . . . . 0.0 111.237 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' B' ' 41' ' ' GLN . 17.5 tp -136.28 122.0 19.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.53 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.649 HG21 ' HB ' ' A' 1374 ' ' THR . 14.6 p -130.96 148.03 33.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.918 0.389 . . . . 0.0 111.538 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 97.5 mt -74.54 154.33 38.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.074 0.464 . . . . 0.0 111.333 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' B' ' 73' ' ' LEU . 80.1 ttt180 -86.84 -12.25 48.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.087 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' B' ' 72' ' ' ARG . 3.9 mm? 67.93 123.91 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.2 mmm180 -142.85 112.3 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.981 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 175.73 73.24 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.429 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.549 179.987 . . . . . . . . 0 0 . 1 stop_ save_